smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000819742822 945277597 /nfs/dbraw/zinc/27/75/97/945277597.db2.gz AFUVDKZAVKGFHG-IBGZPJMESA-N 1 0 394.523 3.036 20 30 GGEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000819743419 945280144 /nfs/dbraw/zinc/28/01/44/945280144.db2.gz JDZKWRWRRIRWFK-UHFFFAOYSA-N 1 0 399.543 3.073 20 30 GGEDRO C=CC[C@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccncc1 ZINC000823888755 946502159 /nfs/dbraw/zinc/50/21/59/946502159.db2.gz VMPYXDWKMIDWST-NRFANRHFSA-N 1 0 389.507 3.133 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824545550 946784758 /nfs/dbraw/zinc/78/47/58/946784758.db2.gz DBHQLIGYLCHCKR-MRXNPFEDSA-N 1 0 387.491 3.054 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(C#N)cc1 ZINC000824548089 946790887 /nfs/dbraw/zinc/79/08/87/946790887.db2.gz VCTINDMWROFWOJ-MRXNPFEDSA-N 1 0 387.491 3.054 20 30 GGEDRO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555594 946799211 /nfs/dbraw/zinc/79/92/11/946799211.db2.gz XYWPTYZJLZSHFF-CYBMUJFWSA-N 1 0 387.365 3.468 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)ccc1OC ZINC000825038380 947052366 /nfs/dbraw/zinc/05/23/66/947052366.db2.gz AEIFGHSNHQMGCE-KDOFPFPSSA-N 1 0 392.463 3.407 20 30 GGEDRO C=CC[C@@H]1[N@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCCC1(C)C ZINC001573329686 947424928 /nfs/dbraw/zinc/42/49/28/947424928.db2.gz NMBYTUAYLVEXCY-MOPGFXCFSA-N 1 0 394.523 3.429 20 30 GGEDRO C=CC[C@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC001573330608 947437228 /nfs/dbraw/zinc/43/72/28/947437228.db2.gz ZNWSGXVTLYTLCJ-STQMWFEESA-N 1 0 386.525 3.032 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNc1nc(C)c(-c2nn[nH]n2)cc1Cl)C(C)C ZINC001573340878 947521000 /nfs/dbraw/zinc/52/10/00/947521000.db2.gz BZMWUTLVRXLLOU-INIZCTEOSA-N 1 0 375.908 3.334 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC001177829681 1126150658 /nfs/dbraw/zinc/15/06/58/1126150658.db2.gz OREHTWMGMVJGJD-INIZCTEOSA-N 1 0 384.277 3.495 20 30 GGEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(C#N)ccc2Br)cc1 ZINC001198218927 1126154804 /nfs/dbraw/zinc/15/48/04/1126154804.db2.gz LHZCQTDGKLQUOA-IBGZPJMESA-N 1 0 389.293 3.413 20 30 GGEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C#N)cc2Br)cc1 ZINC001620624545 1126241858 /nfs/dbraw/zinc/24/18/58/1126241858.db2.gz ZJSDZKRRCXQKQV-LJQANCHMSA-N 1 0 389.293 3.413 20 30 GGEDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(C#N)cc1Br ZINC001648162502 1126250305 /nfs/dbraw/zinc/25/03/05/1126250305.db2.gz XJTYXWHZGGHUAY-LJQANCHMSA-N 1 0 389.293 3.413 20 30 GGEDRO Cc1cccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000039935295 205044565 /nfs/dbraw/zinc/04/45/65/205044565.db2.gz IDCZRAANIUQIKM-UHFFFAOYSA-N 1 0 376.504 3.322 20 30 GGEDRO COc1ccc(C)cc1CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000040025018 205047171 /nfs/dbraw/zinc/04/71/71/205047171.db2.gz OMIPULYIBFMHKZ-UHFFFAOYSA-N 1 0 392.503 3.022 20 30 GGEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000225414077 206045192 /nfs/dbraw/zinc/04/51/92/206045192.db2.gz XWBUZXZSOAHAAL-OAHLLOKOSA-N 1 0 396.466 3.036 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025305198 519144425 /nfs/dbraw/zinc/14/44/25/519144425.db2.gz RJYKJSUGJDFTRW-QFIPXVFZSA-N 1 0 394.515 3.049 20 30 GGEDRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000115597101 564196274 /nfs/dbraw/zinc/19/62/74/564196274.db2.gz ZONSNVLDZAKESC-QGZVFWFLSA-N 1 0 386.293 3.415 20 30 GGEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1Br ZINC000007879423 564242759 /nfs/dbraw/zinc/24/27/59/564242759.db2.gz RIGAVFXREXVDTC-YVEFUNNKSA-N 1 0 382.302 3.163 20 30 GGEDRO C=CCCS(=O)(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000119682051 564283000 /nfs/dbraw/zinc/28/30/00/564283000.db2.gz GEYQJRIPCMUREO-GOSISDBHSA-N 1 0 376.547 3.343 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000120032011 564300857 /nfs/dbraw/zinc/30/08/57/564300857.db2.gz SNKKUXHKHRWGMG-KRWDZBQOSA-N 1 0 387.277 3.339 20 30 GGEDRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccc(C#N)cc2)CC1 ZINC000021843168 564312289 /nfs/dbraw/zinc/31/22/89/564312289.db2.gz HVCVJLABVVIMIS-UHFFFAOYSA-N 1 0 399.292 3.325 20 30 GGEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccccc1C#N ZINC000120332337 564316065 /nfs/dbraw/zinc/31/60/65/564316065.db2.gz QVDANERGZZOEHM-UHFFFAOYSA-N 1 0 377.535 3.152 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025230288 564336432 /nfs/dbraw/zinc/33/64/32/564336432.db2.gz IAUTVDLTACFCLX-CQSZACIVSA-N 1 0 395.322 3.448 20 30 GGEDRO N#CCSCCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120996447 564347211 /nfs/dbraw/zinc/34/72/11/564347211.db2.gz AKMINHLSJPBEBZ-KRWDZBQOSA-N 1 0 393.354 3.278 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000030532661 564382427 /nfs/dbraw/zinc/38/24/27/564382427.db2.gz UTGROLRBXIWTAO-GUYCJALGSA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000030532657 564382630 /nfs/dbraw/zinc/38/26/30/564382630.db2.gz UTGROLRBXIWTAO-SUMWQHHRSA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000030532689 564382672 /nfs/dbraw/zinc/38/26/72/564382672.db2.gz JBFIYLUFIUJBEC-SUMWQHHRSA-N 1 0 375.266 3.411 20 30 GGEDRO CC1CCN(C(=[NH2+])NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000122452568 564414969 /nfs/dbraw/zinc/41/49/69/564414969.db2.gz KLHMHQIAJMVBCV-HNNXBMFYSA-N 1 0 379.346 3.322 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1cc(Cl)ccc1Br ZINC000123196821 564441042 /nfs/dbraw/zinc/44/10/42/564441042.db2.gz IYMRBKCRBWQMFO-UHFFFAOYSA-N 1 0 386.721 3.339 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000123817575 564462521 /nfs/dbraw/zinc/46/25/21/564462521.db2.gz HPQQTFWOSUVANA-UHFFFAOYSA-N 1 0 384.977 3.125 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1nnc(C(F)(F)F)s1)C(C)C ZINC000124790469 564493523 /nfs/dbraw/zinc/49/35/23/564493523.db2.gz QQCFXLHDTDKBBX-LLVKDONJSA-N 1 0 377.436 3.377 20 30 GGEDRO C[N@H+](CCOc1cccc(C#N)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125586651 564519360 /nfs/dbraw/zinc/51/93/60/564519360.db2.gz FIMSJGKGDVJSQN-SFHVURJKSA-N 1 0 375.266 3.365 20 30 GGEDRO C[N@H+](CCOc1cccc(C#N)c1)[C@H](CO)c1cccc(Br)c1 ZINC000125586907 564520098 /nfs/dbraw/zinc/52/00/98/564520098.db2.gz FIMSJGKGDVJSQN-GOSISDBHSA-N 1 0 375.266 3.365 20 30 GGEDRO C[N@H+](CCOc1ccccc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000125784032 564526568 /nfs/dbraw/zinc/52/65/68/564526568.db2.gz WSENAGHFZXGQOI-KRWDZBQOSA-N 1 0 375.266 3.365 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCN2CCCC2=O)cc1OC ZINC000127265533 564579330 /nfs/dbraw/zinc/57/93/30/564579330.db2.gz INHQYUTYCUAUFY-UHFFFAOYSA-N 1 0 397.313 3.077 20 30 GGEDRO C[N@@H+](Cc1csc(Br)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000053358255 564586248 /nfs/dbraw/zinc/58/62/48/564586248.db2.gz GAIODLXAVPRTOE-AWEZNQCLSA-N 1 0 381.295 3.254 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000130738898 564691019 /nfs/dbraw/zinc/69/10/19/564691019.db2.gz MBGNBHJQNWNFEM-KRWDZBQOSA-N 1 0 378.314 3.472 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000130772230 564691718 /nfs/dbraw/zinc/69/17/18/564691718.db2.gz QHDDRBGXLURHOZ-IRXDYDNUSA-N 1 0 378.314 3.247 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1ccc(Br)cc1F ZINC000130783313 564692426 /nfs/dbraw/zinc/69/24/26/564692426.db2.gz YMEQXFJZTDUGKO-UHFFFAOYSA-N 1 0 384.293 3.215 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NCCSC)[n+]2ccccc2)cc1 ZINC000131269671 564705975 /nfs/dbraw/zinc/70/59/75/564705975.db2.gz LDYJMTFUCSXQGK-UHFFFAOYSA-O 1 0 375.539 3.264 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC000063311274 564716806 /nfs/dbraw/zinc/71/68/06/564716806.db2.gz IZNUQTHHOWGCBH-UHFFFAOYSA-N 1 0 381.929 3.145 20 30 GGEDRO C[N@@H+](Cc1csc(Br)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000066484057 564766898 /nfs/dbraw/zinc/76/68/98/564766898.db2.gz NALDGSPHTXWPIT-OAHLLOKOSA-N 1 0 395.322 3.448 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)CCCCOc2ccc(Br)cc2)CC1 ZINC000066621000 564770953 /nfs/dbraw/zinc/77/09/53/564770953.db2.gz LDTUNVLSUBFQAH-UHFFFAOYSA-N 1 0 394.313 3.102 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Br)ccc3O)CC2)nc1 ZINC000067010980 564781525 /nfs/dbraw/zinc/78/15/25/564781525.db2.gz NZABLRUILTZYJD-UHFFFAOYSA-N 1 0 387.281 3.180 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000134739101 564813573 /nfs/dbraw/zinc/81/35/73/564813573.db2.gz UKHRSNFMXOAYCU-UHFFFAOYSA-N 1 0 387.311 3.107 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000069010056 564831728 /nfs/dbraw/zinc/83/17/28/564831728.db2.gz GFBBDIPROYPOBF-AWEZNQCLSA-N 1 0 378.314 3.426 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000137011518 564857519 /nfs/dbraw/zinc/85/75/19/564857519.db2.gz LQJKDYYJEXDORB-HNNXBMFYSA-N 1 0 381.289 3.493 20 30 GGEDRO C[N@H+](CCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000071906058 564858683 /nfs/dbraw/zinc/85/86/83/564858683.db2.gz XFHCXMWBEDSZSV-UHFFFAOYSA-N 1 0 377.897 3.012 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H](C)C(=O)OC)cc1OC ZINC000091986210 564873815 /nfs/dbraw/zinc/87/38/15/564873815.db2.gz QKAGBGDZUXFNFJ-GFCCVEGCSA-N 1 0 386.286 3.263 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@](C)(C(=O)OC)C2)cc1OC ZINC000093813783 564890978 /nfs/dbraw/zinc/89/09/78/564890978.db2.gz VERMTSLIXNGFPY-SFHVURJKSA-N 1 0 398.297 3.408 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H](C)C(=O)NC)cc1OCC ZINC000093898919 564891897 /nfs/dbraw/zinc/89/18/97/564891897.db2.gz JSLNKBFNKIXEGG-CYBMUJFWSA-N 1 0 399.329 3.227 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+]CCc2cc(Cl)ccc2Br)C(N)=O)cc1 ZINC000152438724 564958749 /nfs/dbraw/zinc/95/87/49/564958749.db2.gz DIOSSWBCPGXWCV-INIZCTEOSA-N 1 0 392.684 3.333 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152612548 564965561 /nfs/dbraw/zinc/96/55/61/564965561.db2.gz WZEMPQANLDDYHJ-GOSISDBHSA-N 1 0 392.341 3.467 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000106038535 564977024 /nfs/dbraw/zinc/97/70/24/564977024.db2.gz QTLMDCSRGMWHHQ-UHFFFAOYSA-N 1 0 397.313 3.237 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCOc2cccc(Br)c2)CC1 ZINC000106039788 564977229 /nfs/dbraw/zinc/97/72/29/564977229.db2.gz UMHOWACNUHDTDG-UHFFFAOYSA-N 1 0 381.314 3.375 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3ccccc3Br)CC2)C(N)=O)cc1 ZINC000153624514 565004078 /nfs/dbraw/zinc/00/40/78/565004078.db2.gz CJZFROPUPSWJEH-KRWDZBQOSA-N 1 0 384.277 3.169 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)CC1 ZINC000369204278 565080820 /nfs/dbraw/zinc/08/08/20/565080820.db2.gz OCDAWMSHAUXIRC-ICSRJNTNSA-N 1 0 389.337 3.420 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC2CCC2)[n+]2cccc(CO)c2)c(C)s1 ZINC000292415375 565115318 /nfs/dbraw/zinc/11/53/18/565115318.db2.gz ZCZDLSLXLUUMEV-UHFFFAOYSA-O 1 0 375.539 3.226 20 30 GGEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000184225447 565120285 /nfs/dbraw/zinc/12/02/85/565120285.db2.gz LXJNJKDZUZECNG-UHFFFAOYSA-N 1 0 381.929 3.145 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000157166079 565120901 /nfs/dbraw/zinc/12/09/01/565120901.db2.gz DWVVOCDSFBBHTK-UHFFFAOYSA-N 1 0 383.319 3.050 20 30 GGEDRO N#CCSc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000370169184 565131921 /nfs/dbraw/zinc/13/19/21/565131921.db2.gz MSAUYISXBVDYOU-UHFFFAOYSA-N 1 0 375.563 3.394 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267989831 565136748 /nfs/dbraw/zinc/13/67/48/565136748.db2.gz RAIMZCUYCKVITN-KDOFPFPSSA-N 1 0 378.567 3.497 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000268089527 565141146 /nfs/dbraw/zinc/14/11/46/565141146.db2.gz ZUVXHBYRMMEFKT-SJCJKPOMSA-N 1 0 386.323 3.365 20 30 GGEDRO Cc1ccc(CCC(=O)N(CCC#N)CCC[NH+](C)C)c(Br)c1 ZINC000185242856 565189324 /nfs/dbraw/zinc/18/93/24/565189324.db2.gz ANSKSYDFYTWDRX-UHFFFAOYSA-N 1 0 380.330 3.384 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000294495901 565214500 /nfs/dbraw/zinc/21/45/00/565214500.db2.gz OWYPVDXMASHCMN-UHFFFAOYSA-N 1 0 399.292 3.110 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000294649683 565220987 /nfs/dbraw/zinc/22/09/87/565220987.db2.gz PNVPHFYUFDAPHD-UHFFFAOYSA-N 1 0 397.313 3.237 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000294630104 565221602 /nfs/dbraw/zinc/22/16/02/565221602.db2.gz YOLXODXUOCMZPW-UHFFFAOYSA-N 1 0 399.292 3.110 20 30 GGEDRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185814440 565223005 /nfs/dbraw/zinc/22/30/05/565223005.db2.gz MXSYZKDBAKXQBL-ZIAGYGMSSA-N 1 0 394.313 3.250 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000160071432 565230279 /nfs/dbraw/zinc/23/02/79/565230279.db2.gz TYFOJKKVVPUOMM-UHFFFAOYSA-N 1 0 381.314 3.157 20 30 GGEDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810724 565255482 /nfs/dbraw/zinc/25/54/82/565255482.db2.gz WCFBNTFNOOIMST-SJLPKXTDSA-N 1 0 389.297 3.142 20 30 GGEDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810725 565255818 /nfs/dbraw/zinc/25/58/18/565255818.db2.gz WCFBNTFNOOIMST-WMZOPIPTSA-N 1 0 389.297 3.142 20 30 GGEDRO C[NH+](C)CCCOc1cnccc1CNc1ncc(Br)cc1C#N ZINC000295666519 565280738 /nfs/dbraw/zinc/28/07/38/565280738.db2.gz JAVWYORZKZRBOH-UHFFFAOYSA-N 1 0 390.285 3.053 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186842466 565290576 /nfs/dbraw/zinc/29/05/76/565290576.db2.gz UYGLQYOMTDVLQD-INIZCTEOSA-N 1 0 380.579 3.249 20 30 GGEDRO C#CCSCC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272588948 565291199 /nfs/dbraw/zinc/29/11/99/565291199.db2.gz HPLJFZQFPLNJFQ-IBGZPJMESA-N 1 0 377.506 3.275 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000272887854 565301405 /nfs/dbraw/zinc/30/14/05/565301405.db2.gz RYRKODSSELMDFR-CYBMUJFWSA-N 1 0 376.341 3.176 20 30 GGEDRO C[C@@H](NC(=[NH2+])NCCCCCS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000187055451 565305850 /nfs/dbraw/zinc/30/58/50/565305850.db2.gz HQBLSCHWXZUNPF-LLVKDONJSA-N 1 0 380.341 3.174 20 30 GGEDRO C=CC[NH+]1CCC(NCc2ncc(Br)cc2Br)CC1 ZINC000273214798 565313110 /nfs/dbraw/zinc/31/31/10/565313110.db2.gz OFAOWKLOIDYMEN-UHFFFAOYSA-N 1 0 389.135 3.347 20 30 GGEDRO N#Cc1ccc(OCC[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000374010014 565315100 /nfs/dbraw/zinc/31/51/00/565315100.db2.gz KPEXVASYNLPFDG-UHFFFAOYSA-N 1 0 375.270 3.233 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374011457 565315422 /nfs/dbraw/zinc/31/54/22/565315422.db2.gz XZYFIGFSBHUDMM-AWEZNQCLSA-N 1 0 383.334 3.096 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374011458 565315444 /nfs/dbraw/zinc/31/54/44/565315444.db2.gz XZYFIGFSBHUDMM-CQSZACIVSA-N 1 0 383.334 3.096 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000296868804 565342082 /nfs/dbraw/zinc/34/20/82/565342082.db2.gz UBBRRTLBPQOPSX-UHFFFAOYSA-N 1 0 394.317 3.421 20 30 GGEDRO C=CCn1c(SCCN2CCOC[C@@H]2C)nc2cc(Cl)ccc2c1=O ZINC000188187987 565386302 /nfs/dbraw/zinc/38/63/02/565386302.db2.gz HQLOYZQZWLCORN-ZDUSSCGKSA-N 1 0 379.913 3.049 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000170946194 565400673 /nfs/dbraw/zinc/40/06/73/565400673.db2.gz NQOLDHHNJYQISV-UHFFFAOYSA-N 1 0 389.297 3.015 20 30 GGEDRO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000298463013 565415546 /nfs/dbraw/zinc/41/55/46/565415546.db2.gz RSAYIPGWQKXXAT-ZWKOTPCHSA-N 1 0 375.266 3.020 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000171704481 565445746 /nfs/dbraw/zinc/44/57/46/565445746.db2.gz HWLYUVDAEPKLLP-ZDUSSCGKSA-N 1 0 396.329 3.468 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCc2ccc(OC)c(Br)c2)CC1 ZINC000171724338 565447423 /nfs/dbraw/zinc/44/74/23/565447423.db2.gz RSWYZNUCXVUFBZ-UHFFFAOYSA-N 1 0 381.314 3.157 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCc2ccc(Br)cc2)CC1 ZINC000171742032 565447782 /nfs/dbraw/zinc/44/77/82/565447782.db2.gz WNZXNTIQDWSHIH-UHFFFAOYSA-N 1 0 380.330 3.283 20 30 GGEDRO C=CC[NH+]1CCC(Nc2ncc(Cn3cc(Br)cn3)s2)CC1 ZINC000276435519 565449323 /nfs/dbraw/zinc/44/93/23/565449323.db2.gz JZJQVTLDCWMQFV-UHFFFAOYSA-N 1 0 382.331 3.213 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000276994731 565470123 /nfs/dbraw/zinc/47/01/23/565470123.db2.gz IVVOFLHHYUSFAV-UHFFFAOYSA-N 1 0 377.893 3.435 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000189622605 565478503 /nfs/dbraw/zinc/47/85/03/565478503.db2.gz UMVUJQOBZQSSOZ-UHFFFAOYSA-N 1 0 398.301 3.238 20 30 GGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000172395264 565483577 /nfs/dbraw/zinc/48/35/77/565483577.db2.gz BYTDQHNTYZYQOK-AWEZNQCLSA-N 1 0 375.519 3.124 20 30 GGEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189799551 565490100 /nfs/dbraw/zinc/49/01/00/565490100.db2.gz XVJUYHDHSFVJTH-ROUUACIJSA-N 1 0 378.314 3.200 20 30 GGEDRO [NH2+]=C(NCCOCC(F)(F)C(F)F)Nc1ccccc1OC(F)(F)F ZINC000277542416 565505473 /nfs/dbraw/zinc/50/54/73/565505473.db2.gz PTTMADZXXDIXKV-UHFFFAOYSA-N 1 0 377.260 3.229 20 30 GGEDRO N#Cc1cc(Br)ccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000302128743 565531514 /nfs/dbraw/zinc/53/15/14/565531514.db2.gz BJYVLYIFZHBDOB-GOSISDBHSA-N 1 0 386.293 3.152 20 30 GGEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(Br)cc3OC)no2)CC1 ZINC000278149407 565543031 /nfs/dbraw/zinc/54/30/31/565543031.db2.gz RLHMGDZELIFPLD-UHFFFAOYSA-N 1 0 376.254 3.320 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2nccs2)C(=S)NCCCSC)cc1 ZINC000278362537 565554434 /nfs/dbraw/zinc/55/44/34/565554434.db2.gz YQPCUDFVNALOMO-UHFFFAOYSA-O 1 0 380.584 3.275 20 30 GGEDRO C[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)[N@H+](C)Cc1ccccc1 ZINC000390758681 565557421 /nfs/dbraw/zinc/55/74/21/565557421.db2.gz KHXWOVRTZRGEAN-CQSZACIVSA-N 1 0 377.897 3.010 20 30 GGEDRO C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000390616747 565557512 /nfs/dbraw/zinc/55/75/12/565557512.db2.gz YICHYUJWPSPVAX-QGZVFWFLSA-N 1 0 375.266 3.192 20 30 GGEDRO Cn1cc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)cc1C#N ZINC000190799659 565559619 /nfs/dbraw/zinc/55/96/19/565559619.db2.gz YEDAFPVKVGKKDJ-UHFFFAOYSA-N 1 0 388.309 3.497 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000173580453 565568626 /nfs/dbraw/zinc/56/86/26/565568626.db2.gz KJLZVHPDHKNKDC-CQSZACIVSA-N 1 0 381.314 3.373 20 30 GGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752937 565576367 /nfs/dbraw/zinc/57/63/67/565576367.db2.gz XEKMXGNEGZTWFG-IPYPFGDCSA-N 1 0 377.286 3.187 20 30 GGEDRO C[N@H+](CCCNS(=O)(=O)c1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000310529166 565579485 /nfs/dbraw/zinc/57/94/85/565579485.db2.gz BCWUJUIZFPUDOA-UHFFFAOYSA-N 1 0 377.897 3.012 20 30 GGEDRO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCCSCC#N)CC1 ZINC000173893145 565596878 /nfs/dbraw/zinc/59/68/78/565596878.db2.gz FNJGOXPGXSWSCF-AWEZNQCLSA-N 1 0 377.539 3.124 20 30 GGEDRO C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccccc1C#N ZINC000320626437 565603179 /nfs/dbraw/zinc/60/31/79/565603179.db2.gz CWQSCQJIVKUSKX-KRWDZBQOSA-N 1 0 375.266 3.192 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408430383 565609151 /nfs/dbraw/zinc/60/91/51/565609151.db2.gz STTQIIPJMQRIDF-KFWWJZLASA-N 1 0 381.929 3.238 20 30 GGEDRO N#CCSCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000174126702 565616031 /nfs/dbraw/zinc/61/60/31/565616031.db2.gz CLLZHLCZYRZFKU-CYBMUJFWSA-N 1 0 397.342 3.141 20 30 GGEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191779464 565630726 /nfs/dbraw/zinc/63/07/26/565630726.db2.gz RECMVLXQAYRAOE-OAHLLOKOSA-N 1 0 378.314 3.449 20 30 GGEDRO Cn1c(SCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nnc1-c1cccs1 ZINC000328747333 565640872 /nfs/dbraw/zinc/64/08/72/565640872.db2.gz LRHYCAHNDVFEDQ-OLZOCXBDSA-N 1 0 377.539 3.219 20 30 GGEDRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328835153 565643010 /nfs/dbraw/zinc/64/30/10/565643010.db2.gz SGGGONUFGNVZCX-YYQUZTFQSA-N 1 0 397.313 3.287 20 30 GGEDRO COc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1Br ZINC000329091093 565653355 /nfs/dbraw/zinc/65/33/55/565653355.db2.gz JIDRSKKUTKGTTH-UHFFFAOYSA-N 1 0 397.313 3.407 20 30 GGEDRO CC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000329083927 565653499 /nfs/dbraw/zinc/65/34/99/565653499.db2.gz FLEGVAHDJOMIAW-MRXNPFEDSA-N 1 0 381.929 3.296 20 30 GGEDRO CC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000329083925 565653572 /nfs/dbraw/zinc/65/35/72/565653572.db2.gz FLEGVAHDJOMIAW-INIZCTEOSA-N 1 0 381.929 3.296 20 30 GGEDRO CC1=CC[N@H+](CCNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000329108794 565654775 /nfs/dbraw/zinc/65/47/75/565654775.db2.gz PSJLNJZIKQCXNT-UHFFFAOYSA-N 1 0 395.297 3.371 20 30 GGEDRO O=C(COc1ccc(Br)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329118620 565654827 /nfs/dbraw/zinc/65/48/27/565654827.db2.gz VAKNKVDFDGQSKH-UHFFFAOYSA-N 1 0 397.313 3.429 20 30 GGEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192088426 565657490 /nfs/dbraw/zinc/65/74/90/565657490.db2.gz ZDISAVKMJDDHMG-HOCLYGCPSA-N 1 0 379.844 3.471 20 30 GGEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192088422 565657698 /nfs/dbraw/zinc/65/76/98/565657698.db2.gz ZDISAVKMJDDHMG-GOEBONIOSA-N 1 0 379.844 3.471 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C([O-])=[NH+]c2nc3ccsc3s2)C[C@H](C)O1 ZINC000329408242 565665345 /nfs/dbraw/zinc/66/53/45/565665345.db2.gz DCOGVEAATXFAIC-FRRDWIJNSA-N 1 0 380.539 3.477 20 30 GGEDRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000329428459 565665410 /nfs/dbraw/zinc/66/54/10/565665410.db2.gz JOLOVGJNELENJY-LBPRGKRZSA-N 1 0 384.307 3.383 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C([O-])=[NH+]c2nc3ccsc3s2)C[C@H](C)O1 ZINC000329408249 565665889 /nfs/dbraw/zinc/66/58/89/565665889.db2.gz DCOGVEAATXFAIC-XQQFMLRXSA-N 1 0 380.539 3.477 20 30 GGEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)CSc3ccccc3Cl)CC2)C1=O ZINC000329627810 565673688 /nfs/dbraw/zinc/67/36/88/565673688.db2.gz HAUOWMQUCSNJDD-HNNXBMFYSA-N 1 0 381.929 3.084 20 30 GGEDRO OC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccc1OC(F)(F)F ZINC000280554387 565680306 /nfs/dbraw/zinc/68/03/06/565680306.db2.gz QRVNGGCOARITDO-JTQLQIEISA-N 1 0 379.272 3.125 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280585995 565682913 /nfs/dbraw/zinc/68/29/13/565682913.db2.gz TXVIYPVWAZEYQZ-LBPRGKRZSA-N 1 0 376.254 3.454 20 30 GGEDRO N#CC1(CS(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCCC1 ZINC000329994127 565688643 /nfs/dbraw/zinc/68/86/43/565688643.db2.gz LXKIICXQQCSMBH-MRXNPFEDSA-N 1 0 381.567 3.278 20 30 GGEDRO CS[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2cccs2)C[C@H]1[NH+]1CCCC1 ZINC000330122753 565693581 /nfs/dbraw/zinc/69/35/81/565693581.db2.gz KKKVYUHPGHEXPT-ZMSDIMECSA-N 1 0 381.567 3.194 20 30 GGEDRO Cc1cc(NC(=O)CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)ccc1Br ZINC000330216164 565696827 /nfs/dbraw/zinc/69/68/27/565696827.db2.gz HNJLRVWQQKQHCK-HNNXBMFYSA-N 1 0 380.286 3.279 20 30 GGEDRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1Cl ZINC000330182422 565697057 /nfs/dbraw/zinc/69/70/57/565697057.db2.gz OYTCURWUCTWYGY-LSDHHAIUSA-N 1 0 383.901 3.408 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280807713 565697187 /nfs/dbraw/zinc/69/71/87/565697187.db2.gz LQGHQCAHRCMTKB-LESCRADOSA-N 1 0 386.945 3.270 20 30 GGEDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000175406379 565697720 /nfs/dbraw/zinc/69/77/20/565697720.db2.gz AHNKLZCKMHFMGT-CANCMXDXSA-N 1 0 375.519 3.379 20 30 GGEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000330256756 565699716 /nfs/dbraw/zinc/69/97/16/565699716.db2.gz KXERKIWTLGJXJR-TZMCWYRMSA-N 1 0 385.961 3.470 20 30 GGEDRO COc1cc(OC)c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000330264678 565699754 /nfs/dbraw/zinc/69/97/54/565699754.db2.gz YFHHUHZPVXMCSL-TZMCWYRMSA-N 1 0 398.301 3.419 20 30 GGEDRO COc1ccc(Br)c(CNC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000330287970 565700685 /nfs/dbraw/zinc/70/06/85/565700685.db2.gz BKQUIYZFEFONSB-UHFFFAOYSA-N 1 0 396.329 3.336 20 30 GGEDRO Cc1c(Br)cccc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000330465647 565708021 /nfs/dbraw/zinc/70/80/21/565708021.db2.gz WSMLPJDFPQOBQX-AWEZNQCLSA-N 1 0 384.318 3.440 20 30 GGEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)[C@H](C)C1 ZINC000330555475 565712602 /nfs/dbraw/zinc/71/26/02/565712602.db2.gz GXDLQLBRHFUBAD-MNOVXSKESA-N 1 0 390.709 3.035 20 30 GGEDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(Br)cc1Cl ZINC000330604037 565714400 /nfs/dbraw/zinc/71/44/00/565714400.db2.gz IHUSFSZEAMCBOK-LBPRGKRZSA-N 1 0 375.694 3.254 20 30 GGEDRO C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](c1ccccc1)[NH+](C)C ZINC000192863424 565714942 /nfs/dbraw/zinc/71/49/42/565714942.db2.gz KQXNBUXHOKKFCS-SCLBCKFNSA-N 1 0 377.897 3.181 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H](c1ccccc1)[NH+](C)C ZINC000192863437 565715260 /nfs/dbraw/zinc/71/52/60/565715260.db2.gz KQXNBUXHOKKFCS-FZKQIMNGSA-N 1 0 377.897 3.181 20 30 GGEDRO COc1cc(Br)c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1OC ZINC000330720661 565720413 /nfs/dbraw/zinc/72/04/13/565720413.db2.gz XCIMQAFUPNGZJP-WDEREUQCSA-N 1 0 386.290 3.036 20 30 GGEDRO COc1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc(OC)c1Br ZINC000330883731 565726993 /nfs/dbraw/zinc/72/69/93/565726993.db2.gz KBDZKUWWYHMTBL-QWRGUYRKSA-N 1 0 386.290 3.036 20 30 GGEDRO CC[C@@H]1CN(C(=O)Nc2cccc(C)c2Br)CC[N@@H+]1C[C@H](C)O ZINC000330943905 565731200 /nfs/dbraw/zinc/73/12/00/565731200.db2.gz FVWMURBWWYXWDF-UONOGXRCSA-N 1 0 384.318 3.080 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000281454087 565731447 /nfs/dbraw/zinc/73/14/47/565731447.db2.gz BPBGFCJRAMHWHI-WKILWMFISA-N 1 0 393.300 3.296 20 30 GGEDRO CC[C@@H]1CN(C(=O)Nc2cccc(C)c2Br)CC[N@@H+]1C[C@@H](C)O ZINC000330943906 565731544 /nfs/dbraw/zinc/73/15/44/565731544.db2.gz FVWMURBWWYXWDF-ZIAGYGMSSA-N 1 0 384.318 3.080 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1Cl ZINC000330983247 565733573 /nfs/dbraw/zinc/73/35/73/565733573.db2.gz JZWCLNWXEZJUAF-GFCCVEGCSA-N 1 0 376.284 3.200 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1Cl ZINC000331017599 565735804 /nfs/dbraw/zinc/73/58/04/565735804.db2.gz YTPKPNYEVAGSQR-UHFFFAOYSA-N 1 0 390.311 3.326 20 30 GGEDRO COc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1Br ZINC000331098140 565738642 /nfs/dbraw/zinc/73/86/42/565738642.db2.gz BLCORLDVFCEANC-HNNXBMFYSA-N 1 0 388.331 3.221 20 30 GGEDRO COc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1Br ZINC000331098141 565738935 /nfs/dbraw/zinc/73/89/35/565738935.db2.gz BLCORLDVFCEANC-OAHLLOKOSA-N 1 0 388.331 3.221 20 30 GGEDRO COc1ccc(Br)cc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000331098722 565739334 /nfs/dbraw/zinc/73/93/34/565739334.db2.gz AGHNIPKDTRWLGC-OAHLLOKOSA-N 1 0 388.331 3.221 20 30 GGEDRO C=CC[N@@H+](C)CCN(CC)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000411634698 565740883 /nfs/dbraw/zinc/74/08/83/565740883.db2.gz APEKJMBXIKUBGX-UHFFFAOYSA-N 1 0 393.329 3.363 20 30 GGEDRO COc1cc(OC)c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1Br ZINC000331157902 565743311 /nfs/dbraw/zinc/74/33/11/565743311.db2.gz DMCPPIWMXGSRPA-WDEREUQCSA-N 1 0 386.290 3.036 20 30 GGEDRO COc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c(Br)c1 ZINC000331303578 565754328 /nfs/dbraw/zinc/75/43/28/565754328.db2.gz VVXVUOBDELAQTQ-HNNXBMFYSA-N 1 0 388.331 3.221 20 30 GGEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000281895546 565755082 /nfs/dbraw/zinc/75/50/82/565755082.db2.gz FCNXPLSQQTWDEB-INIZCTEOSA-N 1 0 394.313 3.008 20 30 GGEDRO Cc1nc2c(s1)[C@@H](N(C)CCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000176240076 565759605 /nfs/dbraw/zinc/75/96/05/565759605.db2.gz ONFUUGAKUKUMPU-KRWDZBQOSA-N 1 0 375.519 3.106 20 30 GGEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000331462328 565761140 /nfs/dbraw/zinc/76/11/40/565761140.db2.gz FYJJCBAVUFDNHV-AWEZNQCLSA-N 1 0 383.323 3.266 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1OCC ZINC000193677478 565769313 /nfs/dbraw/zinc/76/93/13/565769313.db2.gz ZIYBZZAFNFJJQO-MLGOLLRUSA-N 1 0 397.313 3.027 20 30 GGEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000331958867 565795180 /nfs/dbraw/zinc/79/51/80/565795180.db2.gz QBRLJJAXMCERFG-DOMZBBRYSA-N 1 0 377.286 3.411 20 30 GGEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000331958868 565795940 /nfs/dbraw/zinc/79/59/40/565795940.db2.gz QBRLJJAXMCERFG-IUODEOHRSA-N 1 0 377.286 3.411 20 30 GGEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000331958870 565796378 /nfs/dbraw/zinc/79/63/78/565796378.db2.gz QBRLJJAXMCERFG-SWLSCSKDSA-N 1 0 377.286 3.411 20 30 GGEDRO N#Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000176942671 565817669 /nfs/dbraw/zinc/81/76/69/565817669.db2.gz RJYUNFBDSHCUSA-UHFFFAOYSA-N 1 0 375.519 3.084 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1Br ZINC000332332885 565830245 /nfs/dbraw/zinc/83/02/45/565830245.db2.gz TVIBNADQAYCOEO-UHFFFAOYSA-N 1 0 377.286 3.413 20 30 GGEDRO CC[NH+](CC)CCN(CCC(F)(F)F)CC(=O)Nc1sccc1C#N ZINC000177212607 565835726 /nfs/dbraw/zinc/83/57/26/565835726.db2.gz IJBNRRDXWZJZQV-UHFFFAOYSA-N 1 0 376.448 3.154 20 30 GGEDRO N#CC1(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)CCCCC1 ZINC000195227947 565867156 /nfs/dbraw/zinc/86/71/56/565867156.db2.gz HCEPUKQDVKLKNN-UHFFFAOYSA-N 1 0 376.298 3.370 20 30 GGEDRO COCC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000284778013 565869928 /nfs/dbraw/zinc/86/99/28/565869928.db2.gz NDFSXRYGJVKGNZ-WMZOPIPTSA-N 1 0 384.307 3.469 20 30 GGEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000284788962 565870058 /nfs/dbraw/zinc/87/00/58/565870058.db2.gz NVTRZWOICMSLBZ-HNNXBMFYSA-N 1 0 391.294 3.457 20 30 GGEDRO COCC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000284778008 565870214 /nfs/dbraw/zinc/87/02/14/565870214.db2.gz NDFSXRYGJVKGNZ-FUHWJXTLSA-N 1 0 384.307 3.469 20 30 GGEDRO COCC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000284778004 565870341 /nfs/dbraw/zinc/87/03/41/565870341.db2.gz NDFSXRYGJVKGNZ-AEFFLSMTSA-N 1 0 384.307 3.469 20 30 GGEDRO CCOc1cc(C#N)cc(Br)c1OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195300112 565874531 /nfs/dbraw/zinc/87/45/31/565874531.db2.gz RCGSXXTUEOGWRV-UHFFFAOYSA-N 1 0 393.281 3.499 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000333354632 565878129 /nfs/dbraw/zinc/87/81/29/565878129.db2.gz RWIFFMZNRTXHRT-ZIAGYGMSSA-N 1 0 377.286 3.174 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)CCCCC1 ZINC000285013112 565882542 /nfs/dbraw/zinc/88/25/42/565882542.db2.gz ZHKBEWYKMXXFCY-KRWDZBQOSA-N 1 0 391.313 3.227 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000178791324 565938130 /nfs/dbraw/zinc/93/81/30/565938130.db2.gz SFTHQMFEFMWDJD-UHFFFAOYSA-N 1 0 382.258 3.046 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)NC(C)C)cc1OC ZINC000414549002 565948251 /nfs/dbraw/zinc/94/82/51/565948251.db2.gz ZGROEJINOMDKMA-LBPRGKRZSA-N 1 0 385.302 3.025 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(Br)c1 ZINC000286312016 565952913 /nfs/dbraw/zinc/95/29/13/565952913.db2.gz CYILNMJCMHESOG-OLZOCXBDSA-N 1 0 377.204 3.313 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000179355379 565974954 /nfs/dbraw/zinc/97/49/54/565974954.db2.gz CGRQFQUUUCEXQD-UHFFFAOYSA-N 1 0 386.323 3.148 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000179420968 565979800 /nfs/dbraw/zinc/97/98/00/565979800.db2.gz LRWUPKMMFYHWQM-UHFFFAOYSA-N 1 0 383.246 3.129 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000287286840 566009296 /nfs/dbraw/zinc/00/92/96/566009296.db2.gz RVTYFCUYRQLSRZ-XJKSGUPXSA-N 1 0 377.286 3.269 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CCC(C[NH2+]C)CC1 ZINC000415811704 566019653 /nfs/dbraw/zinc/01/96/53/566019653.db2.gz YZBPGLSXHPFVLR-UHFFFAOYSA-N 1 0 382.302 3.477 20 30 GGEDRO [NH3+]CC[C@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000415986442 566023538 /nfs/dbraw/zinc/02/35/38/566023538.db2.gz ANYINABTCCZJKI-WCBMZHEXSA-N 1 0 379.251 3.147 20 30 GGEDRO C[C@@](C#N)(NC(=O)CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000246427466 566028745 /nfs/dbraw/zinc/02/87/45/566028745.db2.gz KBVYQZHFRAHJMN-KDOFPFPSSA-N 1 0 382.291 3.255 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000287677475 566033427 /nfs/dbraw/zinc/03/34/27/566033427.db2.gz LKWKVHUSCOMFNF-QGZVFWFLSA-N 1 0 386.323 3.367 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(Br)c1 ZINC000180970692 566103774 /nfs/dbraw/zinc/10/37/74/566103774.db2.gz GPFPOEUPRPHDPT-INIZCTEOSA-N 1 0 376.298 3.059 20 30 GGEDRO N#Cc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(Br)c1 ZINC000181129035 566118087 /nfs/dbraw/zinc/11/80/87/566118087.db2.gz CDQAOFGPDSXONM-UHFFFAOYSA-N 1 0 392.341 3.398 20 30 GGEDRO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000261748584 566132283 /nfs/dbraw/zinc/13/22/83/566132283.db2.gz VZCQJWZAGWDXHB-QGZVFWFLSA-N 1 0 377.897 3.313 20 30 GGEDRO C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N(C)Cc1cc(Br)cn1C ZINC000261754305 566133622 /nfs/dbraw/zinc/13/36/22/566133622.db2.gz MGCANAWGMZKFSS-LLVKDONJSA-N 1 0 396.333 3.203 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1nc2ccccc2cc1Br ZINC000289658957 566134250 /nfs/dbraw/zinc/13/42/50/566134250.db2.gz NBLXSDYZMNYXHI-UHFFFAOYSA-N 1 0 389.297 3.305 20 30 GGEDRO CC(C)OCCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181441107 566141066 /nfs/dbraw/zinc/14/10/66/566141066.db2.gz USNDSGQLMRYHRC-SFHVURJKSA-N 1 0 380.330 3.446 20 30 GGEDRO C[NH+]1CCN(c2ncccc2CNc2ccc(Br)cc2C#N)CC1 ZINC000181481846 566142945 /nfs/dbraw/zinc/14/29/45/566142945.db2.gz GWBKJGKIBZOEFO-UHFFFAOYSA-N 1 0 386.297 3.080 20 30 GGEDRO C[C@@H](NC(=[NH2+])NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1Cl ZINC000262376655 566150845 /nfs/dbraw/zinc/15/08/45/566150845.db2.gz XINFARNDPBJTRW-LLVKDONJSA-N 1 0 381.311 3.477 20 30 GGEDRO Cc1nnc2n1C[C@H](CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl)CC2 ZINC000262553070 566154232 /nfs/dbraw/zinc/15/42/32/566154232.db2.gz ZNUPYCBCECRNAT-PWSUYJOCSA-N 1 0 381.311 3.121 20 30 GGEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000181996206 566176970 /nfs/dbraw/zinc/17/69/70/566176970.db2.gz QLMQGYFZWXRXKM-AWEZNQCLSA-N 1 0 378.881 3.367 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000182022890 566177963 /nfs/dbraw/zinc/17/79/63/566177963.db2.gz NQWIIQOKQWCCCF-CJNGLKHVSA-N 1 0 375.266 3.411 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCc2csc(Br)c2)cc1OC ZINC000264125088 566206528 /nfs/dbraw/zinc/20/65/28/566206528.db2.gz WBNPJEQAYAUOQC-UHFFFAOYSA-N 1 0 384.299 3.132 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418318087 566208817 /nfs/dbraw/zinc/20/88/17/566208817.db2.gz NHOVEZNPUYNUKU-CYBMUJFWSA-N 1 0 384.293 3.285 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC[NH2+]C1CC1 ZINC000418300496 566209298 /nfs/dbraw/zinc/20/92/98/566209298.db2.gz NBYNFPJRYIGDJO-UHFFFAOYSA-N 1 0 384.293 3.428 20 30 GGEDRO C#CCCCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000367766284 566215365 /nfs/dbraw/zinc/21/53/65/566215365.db2.gz YKSZBMOCMXUOPE-UHFFFAOYSA-N 1 0 392.341 3.468 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418603790 566217604 /nfs/dbraw/zinc/21/76/04/566217604.db2.gz OFLAJNSDLHOAAG-SWLSCSKDSA-N 1 0 384.293 3.426 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(C#N)cc1Br ZINC000367949311 566224493 /nfs/dbraw/zinc/22/44/93/566224493.db2.gz CPZZZAQGNIKQLA-NJAFHUGGSA-N 1 0 378.314 3.004 20 30 GGEDRO C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183016570 566235223 /nfs/dbraw/zinc/23/52/23/566235223.db2.gz GYLSXKGYDIHXNJ-UONOGXRCSA-N 1 0 381.929 3.143 20 30 GGEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508895262 566250684 /nfs/dbraw/zinc/25/06/84/566250684.db2.gz OBNMHHTUPXPMLO-UHFFFAOYSA-N 1 0 390.329 3.424 20 30 GGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419848001 566251113 /nfs/dbraw/zinc/25/11/13/566251113.db2.gz UWTORKXUHHEJNG-KRWDZBQOSA-N 1 0 375.881 3.026 20 30 GGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419848002 566251178 /nfs/dbraw/zinc/25/11/78/566251178.db2.gz UWTORKXUHHEJNG-QGZVFWFLSA-N 1 0 375.881 3.026 20 30 GGEDRO N#Cc1ccc(OCC(=O)NCCC[NH2+]C2CCCCC2)cc1Br ZINC000419891826 566251191 /nfs/dbraw/zinc/25/11/91/566251191.db2.gz KJXFJSYULAZMES-UHFFFAOYSA-N 1 0 394.313 3.128 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000444763672 566251726 /nfs/dbraw/zinc/25/17/26/566251726.db2.gz VGTQRXDEFSAWDT-WCQYABFASA-N 1 0 381.295 3.473 20 30 GGEDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)ccc1Br ZINC000575117576 566252009 /nfs/dbraw/zinc/25/20/09/566252009.db2.gz WGWCUHNTKBUIPF-INIZCTEOSA-N 1 0 375.266 3.159 20 30 GGEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000599349489 566255335 /nfs/dbraw/zinc/25/53/35/566255335.db2.gz PADFCFBEACUBPY-QGZVFWFLSA-N 1 0 387.277 3.339 20 30 GGEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526032 566271996 /nfs/dbraw/zinc/27/19/96/566271996.db2.gz CBZIIAFANAEXCE-XJKSGUPXSA-N 1 0 396.354 3.376 20 30 GGEDRO CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(Br)cc2C#N)C1 ZINC000575773163 566282489 /nfs/dbraw/zinc/28/24/89/566282489.db2.gz LYMIDDVPVUKZBH-CQSZACIVSA-N 1 0 378.314 3.305 20 30 GGEDRO C[C@H]1c2cccc(Br)c2CCN1CC(=O)N(CCC#N)CCC#N ZINC000509480448 566309304 /nfs/dbraw/zinc/30/93/04/566309304.db2.gz PEGIJHDVTZIZBY-AWEZNQCLSA-N 1 0 389.297 3.024 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000576090822 566314480 /nfs/dbraw/zinc/31/44/80/566314480.db2.gz OPWRXDKHKPNGAW-STQMWFEESA-N 1 0 380.286 3.087 20 30 GGEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669817576 566328308 /nfs/dbraw/zinc/32/83/08/566328308.db2.gz LTVZUJKMXZFHDL-CQSZACIVSA-N 1 0 390.329 3.424 20 30 GGEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669815053 566328762 /nfs/dbraw/zinc/32/87/62/566328762.db2.gz IXEYBFPKFCZGPR-AWEZNQCLSA-N 1 0 390.329 3.424 20 30 GGEDRO C=CCC[C@@H](CC)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000556915161 566343702 /nfs/dbraw/zinc/34/37/02/566343702.db2.gz NPJIARPPQYNVIU-CQSZACIVSA-N 1 0 389.359 3.370 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000576520334 566354191 /nfs/dbraw/zinc/35/41/91/566354191.db2.gz LRYHLYKPSJZQSB-UHOSZYNNSA-N 1 0 392.341 3.182 20 30 GGEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCc1cc(Br)ccc1F ZINC000600720692 566358794 /nfs/dbraw/zinc/35/87/94/566358794.db2.gz JQMRJQOHNOUVHG-MRXNPFEDSA-N 1 0 393.256 3.032 20 30 GGEDRO Cc1ccc(Br)cc1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600732722 566360344 /nfs/dbraw/zinc/36/03/44/566360344.db2.gz DTOBHICJNITCPM-QGZVFWFLSA-N 1 0 375.266 3.159 20 30 GGEDRO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600728978 566361120 /nfs/dbraw/zinc/36/11/20/566361120.db2.gz CPABZLDVTCQFPS-YOEHRIQHSA-N 1 0 389.293 3.281 20 30 GGEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1Br ZINC000600736936 566362109 /nfs/dbraw/zinc/36/21/09/566362109.db2.gz UBBUSJIGYKOLLU-QILLFSRXSA-N 1 0 387.277 3.206 20 30 GGEDRO Cc1c(Br)cccc1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600750920 566362275 /nfs/dbraw/zinc/36/22/75/566362275.db2.gz XQKAQBIRHMNPLQ-MRXNPFEDSA-N 1 0 375.266 3.159 20 30 GGEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1Br ZINC000600736937 566362581 /nfs/dbraw/zinc/36/25/81/566362581.db2.gz UBBUSJIGYKOLLU-UWWQBHOKSA-N 1 0 387.277 3.206 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000576609577 566362676 /nfs/dbraw/zinc/36/26/76/566362676.db2.gz HIFKWRNDLGYOFM-CRAIPNDOSA-N 1 0 378.314 3.058 20 30 GGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483248236 566367667 /nfs/dbraw/zinc/36/76/67/566367667.db2.gz DSVFFHKBSFHNSP-RISCZKNCSA-N 1 0 382.220 3.418 20 30 GGEDRO C=CCC[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483248230 566368060 /nfs/dbraw/zinc/36/80/60/566368060.db2.gz DSVFFHKBSFHNSP-BXUZGUMPSA-N 1 0 382.220 3.418 20 30 GGEDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000601429574 566406520 /nfs/dbraw/zinc/40/65/20/566406520.db2.gz WDWVBYCTEJSLIP-UHFFFAOYSA-N 1 0 377.535 3.186 20 30 GGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000421875304 566413659 /nfs/dbraw/zinc/41/36/59/566413659.db2.gz IWYPAMXNKNHDKJ-OAHLLOKOSA-N 1 0 383.926 3.422 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2ccc(Br)s2)cc1 ZINC000577215589 566415825 /nfs/dbraw/zinc/41/58/25/566415825.db2.gz AYUVCMNVGZXMSH-CQSZACIVSA-N 1 0 395.322 3.149 20 30 GGEDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)c1ccc(C#N)cc1 ZINC000447582071 566417660 /nfs/dbraw/zinc/41/76/60/566417660.db2.gz XSURIHCXFFMQRY-KRWDZBQOSA-N 1 0 377.535 3.256 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc([S@@](C)=O)cc1 ZINC000537166856 566427078 /nfs/dbraw/zinc/42/70/78/566427078.db2.gz GZOZPKBSFZHIGT-XELLLNAOSA-N 1 0 375.881 3.238 20 30 GGEDRO N#Cc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000558116339 566450829 /nfs/dbraw/zinc/45/08/29/566450829.db2.gz FPYJZWGXKDQZPN-ZWKOTPCHSA-N 1 0 378.314 3.054 20 30 GGEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000602439158 566471303 /nfs/dbraw/zinc/47/13/03/566471303.db2.gz IEMHGVZQPVQNMX-UHFFFAOYSA-N 1 0 377.897 3.270 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000602529054 566475571 /nfs/dbraw/zinc/47/55/71/566475571.db2.gz DNXMINADYYXJNZ-GJZGRUSLSA-N 1 0 382.327 3.163 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000602519981 566475598 /nfs/dbraw/zinc/47/55/98/566475598.db2.gz CIMNCSDGVDUASE-KBPBESRZSA-N 1 0 387.307 3.422 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000602519985 566475920 /nfs/dbraw/zinc/47/59/20/566475920.db2.gz CIMNCSDGVDUASE-KGLIPLIRSA-N 1 0 387.307 3.422 20 30 GGEDRO N#Cc1ccccc1OCC[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485113731 566476649 /nfs/dbraw/zinc/47/66/49/566476649.db2.gz NMUVYEFFIUWXII-UHFFFAOYSA-N 1 0 381.295 3.256 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000602544260 566477469 /nfs/dbraw/zinc/47/74/69/566477469.db2.gz GREJYLZZAQMSPN-GOEBONIOSA-N 1 0 389.297 3.445 20 30 GGEDRO N#Cc1cccc(OCC[N@@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000485124051 566478066 /nfs/dbraw/zinc/47/80/66/566478066.db2.gz OYISJMKPNNVBDO-UHFFFAOYSA-N 1 0 381.295 3.256 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448603997 566482253 /nfs/dbraw/zinc/48/22/53/566482253.db2.gz BPIGVENSBWHNIB-KRWDZBQOSA-N 1 0 384.277 3.325 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(C#N)c1Br)Cc1ccccc1 ZINC000448608709 566482424 /nfs/dbraw/zinc/48/24/24/566482424.db2.gz XBALIDFMWXYBSO-INIZCTEOSA-N 1 0 386.293 3.223 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000602635437 566484012 /nfs/dbraw/zinc/48/40/12/566484012.db2.gz DRWQPCBAZXCLGI-WBVHZDCISA-N 1 0 395.341 3.289 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000602637298 566484224 /nfs/dbraw/zinc/48/42/24/566484224.db2.gz LYBSXQNDSOKNRR-RDJZCZTQSA-N 1 0 395.341 3.289 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1C#N)c1ccsc1 ZINC000448671522 566485233 /nfs/dbraw/zinc/48/52/33/566485233.db2.gz SIYGFNGGSFGTNE-HNNXBMFYSA-N 1 0 378.295 3.415 20 30 GGEDRO C[C@H](CNC(=O)c1cccc(C#N)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC000448667707 566486593 /nfs/dbraw/zinc/48/65/93/566486593.db2.gz LWTLULVXAJRBDP-CQSZACIVSA-N 1 0 398.304 3.497 20 30 GGEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602693716 566487545 /nfs/dbraw/zinc/48/75/45/566487545.db2.gz FVTIVTRXEIHQAB-AWEZNQCLSA-N 1 0 384.929 3.322 20 30 GGEDRO COc1cc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c(Br)cc1O ZINC000602701947 566488297 /nfs/dbraw/zinc/48/82/97/566488297.db2.gz FWNBTRVHMJNWIC-GFCCVEGCSA-N 1 0 383.286 3.352 20 30 GGEDRO N#CCC1(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000602790813 566494575 /nfs/dbraw/zinc/49/45/75/566494575.db2.gz KSAKXRLGNJBDPX-CYBMUJFWSA-N 1 0 377.286 3.188 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602890757 566497934 /nfs/dbraw/zinc/49/79/34/566497934.db2.gz JBWGWXNEGZDSKM-IAGOWNOFSA-N 1 0 379.298 3.121 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c(Br)c1 ZINC000602894661 566498327 /nfs/dbraw/zinc/49/83/27/566498327.db2.gz YREGCOFMLHELCO-IAGOWNOFSA-N 1 0 379.298 3.121 20 30 GGEDRO N#CCC[C@@H](C#N)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000558709931 566502088 /nfs/dbraw/zinc/50/20/88/566502088.db2.gz YIMXEXNWUZFLRS-INIZCTEOSA-N 1 0 375.314 3.447 20 30 GGEDRO N#CCC[C@H](C#N)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000558709932 566502318 /nfs/dbraw/zinc/50/23/18/566502318.db2.gz YIMXEXNWUZFLRS-MRXNPFEDSA-N 1 0 375.314 3.447 20 30 GGEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000558740719 566504079 /nfs/dbraw/zinc/50/40/79/566504079.db2.gz CPSYNCAOTHXBIX-ZDUSSCGKSA-N 1 0 393.306 3.445 20 30 GGEDRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424109435 566513093 /nfs/dbraw/zinc/51/30/93/566513093.db2.gz AKUJZIQLYAPUOE-CABCVRRESA-N 1 0 380.286 3.142 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000424102031 566513170 /nfs/dbraw/zinc/51/31/70/566513170.db2.gz AFFMILWMUHJYRX-CQSZACIVSA-N 1 0 393.310 3.456 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000424135645 566513983 /nfs/dbraw/zinc/51/39/83/566513983.db2.gz JSDXZLOICMQUFN-LLVKDONJSA-N 1 0 398.261 3.066 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000424203715 566519329 /nfs/dbraw/zinc/51/93/29/566519329.db2.gz RMRBEKZDFFEJIT-IRXDYDNUSA-N 1 0 378.314 3.394 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000424203712 566520350 /nfs/dbraw/zinc/52/03/50/566520350.db2.gz RMRBEKZDFFEJIT-DLBZAZTESA-N 1 0 378.314 3.394 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cn1 ZINC000578478187 566525855 /nfs/dbraw/zinc/52/58/55/566525855.db2.gz RUOXCCMXUUZBTA-BBRMVZONSA-N 1 0 390.281 3.001 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cn1 ZINC000578478190 566525969 /nfs/dbraw/zinc/52/59/69/566525969.db2.gz RUOXCCMXUUZBTA-XJKSGUPXSA-N 1 0 390.281 3.001 20 30 GGEDRO N#Cc1c(Br)cccc1OCc1nc(C2([NH3+])CCCCC2)no1 ZINC000424345910 566528538 /nfs/dbraw/zinc/52/85/38/566528538.db2.gz GUQYEMFQFNTMLT-UHFFFAOYSA-N 1 0 377.242 3.401 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)COc1cccc(Br)c1C#N ZINC000449100901 566529090 /nfs/dbraw/zinc/52/90/90/566529090.db2.gz CZUGNJZGKPYJCE-CQSZACIVSA-N 1 0 394.313 3.080 20 30 GGEDRO CC1(C#N)CCC([NH2+]CC(=O)Nc2ccc(I)cc2)CC1 ZINC000449312997 566548812 /nfs/dbraw/zinc/54/88/12/566548812.db2.gz NWTOFWXVUWFPGU-UHFFFAOYSA-N 1 0 397.260 3.292 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000465856686 566549727 /nfs/dbraw/zinc/54/97/27/566549727.db2.gz DFPNVQITRVJEMV-AWEZNQCLSA-N 1 0 396.329 3.166 20 30 GGEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(-c3cccc(Br)c3)s2)n1 ZINC000512893702 566567847 /nfs/dbraw/zinc/56/78/47/566567847.db2.gz FQSUECBEWRKKIW-UHFFFAOYSA-N 1 0 388.294 3.431 20 30 GGEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(-c3ccccc3Br)cc2)n1 ZINC000512892664 566567923 /nfs/dbraw/zinc/56/79/23/566567923.db2.gz WVHXGLLHSQOQFJ-UHFFFAOYSA-N 1 0 382.265 3.369 20 30 GGEDRO CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000559792536 566571482 /nfs/dbraw/zinc/57/14/82/566571482.db2.gz CJUQHGIYNQOYBL-ZDUSSCGKSA-N 1 0 377.897 3.442 20 30 GGEDRO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000539303356 566571817 /nfs/dbraw/zinc/57/18/17/566571817.db2.gz HFKGCNIXIWJGRD-HNNXBMFYSA-N 1 0 376.909 3.293 20 30 GGEDRO N#Cc1cc(F)c(N2CCC(CC[NH+]3CCOCC3)CC2)cc1Br ZINC000579003824 566572322 /nfs/dbraw/zinc/57/23/22/566572322.db2.gz CENMVRMDQDBPAV-UHFFFAOYSA-N 1 0 396.304 3.399 20 30 GGEDRO N#Cc1csc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449603302 566582459 /nfs/dbraw/zinc/58/24/59/566582459.db2.gz VUHCVOHKLSHHGN-LBPRGKRZSA-N 1 0 383.286 3.462 20 30 GGEDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(C#N)cc2)cc1Br ZINC000449605046 566584003 /nfs/dbraw/zinc/58/40/03/566584003.db2.gz YJJSNYHKGFVKAP-KRWDZBQOSA-N 1 0 389.293 3.270 20 30 GGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000604892954 566584370 /nfs/dbraw/zinc/58/43/70/566584370.db2.gz QIVXWWTUQUNGSN-CYBMUJFWSA-N 1 0 399.329 3.369 20 30 GGEDRO N#Cc1csc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449678036 566588741 /nfs/dbraw/zinc/58/87/41/566588741.db2.gz DMWREWPCJWBXFA-ZDUSSCGKSA-N 1 0 383.286 3.462 20 30 GGEDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1cc(C#N)cs1 ZINC000449681559 566590971 /nfs/dbraw/zinc/59/09/71/566590971.db2.gz MBFKBAJHXRHIIV-CYBMUJFWSA-N 1 0 395.322 3.332 20 30 GGEDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000449683096 566591275 /nfs/dbraw/zinc/59/12/75/566591275.db2.gz OSSPYHAVJLGYTD-MRXNPFEDSA-N 1 0 389.293 3.270 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CC)C(=O)NC)cc1OCC ZINC000449776110 566601302 /nfs/dbraw/zinc/60/13/02/566601302.db2.gz OFMJSKKXQCFVNG-AWEZNQCLSA-N 1 0 385.302 3.027 20 30 GGEDRO CC(C)(C)[NH+]1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449794957 566602402 /nfs/dbraw/zinc/60/24/02/566602402.db2.gz MJBPNASOINTANC-UHFFFAOYSA-N 1 0 394.313 3.079 20 30 GGEDRO CCC[NH+]1CCC(N(C)C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449796333 566602431 /nfs/dbraw/zinc/60/24/31/566602431.db2.gz GHWBVXTXFAOSCH-UHFFFAOYSA-N 1 0 394.313 3.032 20 30 GGEDRO CCC[NH+]1CCC(N(C)C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449798857 566602857 /nfs/dbraw/zinc/60/28/57/566602857.db2.gz WARLNBWYEDWAIZ-UHFFFAOYSA-N 1 0 394.313 3.032 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000513459348 566603571 /nfs/dbraw/zinc/60/35/71/566603571.db2.gz ZTZJVGUVRAXYCE-ZDUSSCGKSA-N 1 0 385.961 3.009 20 30 GGEDRO C=CCCO[C@H](C)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101145 566605133 /nfs/dbraw/zinc/60/51/33/566605133.db2.gz YCWDTVAPMOTGHA-CQSZACIVSA-N 1 0 398.345 3.367 20 30 GGEDRO N#Cc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1Br ZINC000449954319 566619141 /nfs/dbraw/zinc/61/91/41/566619141.db2.gz UJOJZQVCDQRRBI-AWEZNQCLSA-N 1 0 376.298 3.269 20 30 GGEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000449973230 566621333 /nfs/dbraw/zinc/62/13/33/566621333.db2.gz QMZMRTYGSWSABQ-ZFWWWQNUSA-N 1 0 394.313 3.031 20 30 GGEDRO C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C2(CCCCC2)C1 ZINC000450002376 566623754 /nfs/dbraw/zinc/62/37/54/566623754.db2.gz HSJNIQKMBDUKNL-UHFFFAOYSA-N 1 0 376.298 3.411 20 30 GGEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000450017587 566625673 /nfs/dbraw/zinc/62/56/73/566625673.db2.gz OOHHVGSCVHERIB-AWEZNQCLSA-N 1 0 376.298 3.125 20 30 GGEDRO N#Cc1cc(Br)cnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425271392 566626494 /nfs/dbraw/zinc/62/64/94/566626494.db2.gz CQUVTNXRPKDRSP-MAUKXSAKSA-N 1 0 383.293 3.426 20 30 GGEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000450066533 566630370 /nfs/dbraw/zinc/63/03/70/566630370.db2.gz GQMXRQKVNPSAKW-AWEZNQCLSA-N 1 0 376.298 3.125 20 30 GGEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cccc(C#N)c1Br ZINC000450088762 566632242 /nfs/dbraw/zinc/63/22/42/566632242.db2.gz QWDGWPHUQOREOO-UHFFFAOYSA-N 1 0 376.254 3.118 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000540464709 566651928 /nfs/dbraw/zinc/65/19/28/566651928.db2.gz ZFQSQBJOWOVDHL-XELLLNAOSA-N 1 0 375.881 3.238 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000450277750 566652193 /nfs/dbraw/zinc/65/21/93/566652193.db2.gz NGAJDRSOYHNDLB-CQSZACIVSA-N 1 0 378.314 3.419 20 30 GGEDRO C=CCOCCC[N@@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000425519280 566652828 /nfs/dbraw/zinc/65/28/28/566652828.db2.gz OKVPRRDNGIFBPQ-DLBZAZTESA-N 1 0 382.298 3.230 20 30 GGEDRO C[N@@H+]1C[C@H](NC(=O)c2cccc(C#N)c2Br)[C@@H](c2ccccc2)C1 ZINC000450293318 566654012 /nfs/dbraw/zinc/65/40/12/566654012.db2.gz YEARALSKZGRPSP-SJORKVTESA-N 1 0 384.277 3.148 20 30 GGEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C#N)c2Br)C1 ZINC000450293315 566654172 /nfs/dbraw/zinc/65/41/72/566654172.db2.gz YEARALSKZGRPSP-DLBZAZTESA-N 1 0 384.277 3.148 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000514667414 566660099 /nfs/dbraw/zinc/66/00/99/566660099.db2.gz JKUOMSNLNCUQNI-QGZVFWFLSA-N 1 0 390.281 3.118 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000514667413 566660467 /nfs/dbraw/zinc/66/04/67/566660467.db2.gz JKUOMSNLNCUQNI-KRWDZBQOSA-N 1 0 390.281 3.118 20 30 GGEDRO N#Cc1cc(Br)cnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000450435958 566670299 /nfs/dbraw/zinc/67/02/99/566670299.db2.gz PXUHTNLSZLLINR-UHFFFAOYSA-N 1 0 393.329 3.045 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ncc(Br)cc1C#N ZINC000450458898 566673569 /nfs/dbraw/zinc/67/35/69/566673569.db2.gz ZDHYCGJDTLJTOK-YOEHRIQHSA-N 1 0 386.297 3.240 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nnsc1Cl ZINC000514874281 566676936 /nfs/dbraw/zinc/67/69/36/566676936.db2.gz KRWLHJNNUDRSCB-UHFFFAOYSA-N 1 0 384.962 3.290 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C(N)=O)cc1 ZINC000514979636 566683316 /nfs/dbraw/zinc/68/33/16/566683316.db2.gz IBWDGKVVOVOBTI-SFHVURJKSA-N 1 0 397.276 3.161 20 30 GGEDRO C[C@@H](CCNC(=O)COc1ccc(C#N)c(Br)c1)[NH+]1CCCCC1 ZINC000450559923 566684214 /nfs/dbraw/zinc/68/42/14/566684214.db2.gz GXZSUTBAERXMQS-AWEZNQCLSA-N 1 0 394.313 3.080 20 30 GGEDRO C[C@H](CCNC(=O)COc1ccc(C#N)c(Br)c1)[NH+]1CCCCC1 ZINC000450559924 566684887 /nfs/dbraw/zinc/68/48/87/566684887.db2.gz GXZSUTBAERXMQS-CQSZACIVSA-N 1 0 394.313 3.080 20 30 GGEDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487858070 566694716 /nfs/dbraw/zinc/69/47/16/566694716.db2.gz PSDHQZWRUKTZIG-UHFFFAOYSA-N 1 0 397.317 3.143 20 30 GGEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000580510196 566699566 /nfs/dbraw/zinc/69/95/66/566699566.db2.gz CBPCVWZMOCHTKS-GOEBONIOSA-N 1 0 390.325 3.264 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](O)C(F)F)cc1OCC ZINC000561534852 566717185 /nfs/dbraw/zinc/71/71/85/566717185.db2.gz WOKWRCDPFXKAFU-LBPRGKRZSA-N 1 0 380.229 3.128 20 30 GGEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000515559473 566720594 /nfs/dbraw/zinc/72/05/94/566720594.db2.gz QMEWMURDCIUFAD-OLZOCXBDSA-N 1 0 393.333 3.141 20 30 GGEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)CC(C)(C)CC#N)c2cccs2)CC1 ZINC000450989004 566730488 /nfs/dbraw/zinc/73/04/88/566730488.db2.gz PNPKXNLDWYBPRR-INIZCTEOSA-N 1 0 383.583 3.380 20 30 GGEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc1Br ZINC000468818809 566734009 /nfs/dbraw/zinc/73/40/09/566734009.db2.gz CKJLXNFTDVNUIU-NWDGAFQWSA-N 1 0 380.286 3.059 20 30 GGEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc1Br ZINC000468818824 566734901 /nfs/dbraw/zinc/73/49/01/566734901.db2.gz CKJLXNFTDVNUIU-RYUDHWBXSA-N 1 0 380.286 3.059 20 30 GGEDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)C1CCCCC1 ZINC000451052460 566744600 /nfs/dbraw/zinc/74/46/00/566744600.db2.gz WOBPETOTCOZJIC-QGZVFWFLSA-N 1 0 383.945 3.195 20 30 GGEDRO N#CCc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c(Cl)c1 ZINC000451081666 566750132 /nfs/dbraw/zinc/75/01/32/566750132.db2.gz SNDGSXJMOSMTTJ-UHFFFAOYSA-N 1 0 381.929 3.045 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000516291471 566756397 /nfs/dbraw/zinc/75/63/97/566756397.db2.gz WYROUNDEKAMFFV-HZPDHXFCSA-N 1 0 395.341 3.454 20 30 GGEDRO C=CCN(CC[C@H]1CCS(=O)(=O)C1)Cc1cc(Br)ccc1F ZINC000677681116 566757868 /nfs/dbraw/zinc/75/78/68/566757868.db2.gz FGBOZAABEUWYLN-ZDUSSCGKSA-N 1 0 390.318 3.401 20 30 GGEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451104145 566758379 /nfs/dbraw/zinc/75/83/79/566758379.db2.gz PNESVXRPUCXHHS-AWEZNQCLSA-N 1 0 383.945 3.195 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C2CCN(CC#N)CC2)cc1OC ZINC000609334691 566759076 /nfs/dbraw/zinc/75/90/76/566759076.db2.gz BEZYWHXSLKUJSM-UHFFFAOYSA-N 1 0 394.313 3.100 20 30 GGEDRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(CC#N)CC1 ZINC000541948633 566761286 /nfs/dbraw/zinc/76/12/86/566761286.db2.gz MBERCIUSRUNSIT-CQSZACIVSA-N 1 0 378.314 3.422 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)CCCSc2ccc(Br)cc2)CC1 ZINC000609391860 566763801 /nfs/dbraw/zinc/76/38/01/566763801.db2.gz HJJOMMPBWBDTTF-UHFFFAOYSA-N 1 0 396.354 3.426 20 30 GGEDRO N#Cc1ccccc1CSCC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000581424255 566777388 /nfs/dbraw/zinc/77/73/88/566777388.db2.gz HCTUPJWSRKMMBF-QGZVFWFLSA-N 1 0 376.909 3.474 20 30 GGEDRO C=CCCCS(=O)(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000489494846 566792202 /nfs/dbraw/zinc/79/22/02/566792202.db2.gz AZPBOTWYVVNGIP-UHFFFAOYSA-N 1 0 386.945 3.069 20 30 GGEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451306960 566792807 /nfs/dbraw/zinc/79/28/07/566792807.db2.gz TWPYWGJPUOAZGX-RBSFLKMASA-N 1 0 383.945 3.051 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000678342802 566795087 /nfs/dbraw/zinc/79/50/87/566795087.db2.gz IILOOYHMORUDIG-HUUCEWRRSA-N 1 0 381.314 3.064 20 30 GGEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000517025408 566801185 /nfs/dbraw/zinc/80/11/85/566801185.db2.gz RCAVBKKVAUBDED-GFCCVEGCSA-N 1 0 398.315 3.255 20 30 GGEDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000517025409 566801486 /nfs/dbraw/zinc/80/14/86/566801486.db2.gz RCAVBKKVAUBDED-LBPRGKRZSA-N 1 0 398.315 3.255 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSCc1ccc(Br)cc1 ZINC000517081649 566805854 /nfs/dbraw/zinc/80/58/54/566805854.db2.gz PKKNHRJPXRUUIA-UHFFFAOYSA-N 1 0 398.370 3.376 20 30 GGEDRO N#Cc1ncc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1Cl ZINC000562623563 566807651 /nfs/dbraw/zinc/80/76/51/566807651.db2.gz AVWUUYGHKPIWAO-UHFFFAOYSA-N 1 0 379.917 3.090 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCOc2ccc(C)cc2Br)CC1 ZINC000517309129 566819346 /nfs/dbraw/zinc/81/93/46/566819346.db2.gz BBAFXSZGWWBTNY-UHFFFAOYSA-N 1 0 381.314 3.293 20 30 GGEDRO C=CCOc1ccc(C[NH2+]CC2CCN(S(=O)(=O)CC)CC2)cc1Cl ZINC000542713793 566819850 /nfs/dbraw/zinc/81/98/50/566819850.db2.gz JWNJBFYJOPXXBR-UHFFFAOYSA-N 1 0 386.945 3.056 20 30 GGEDRO COC(=O)C1CC[NH+](CCCNc2ccc(Br)cc2C#N)CC1 ZINC000582083657 566830118 /nfs/dbraw/zinc/83/01/18/566830118.db2.gz GTFUIUKCSQYYQM-UHFFFAOYSA-N 1 0 380.286 3.008 20 30 GGEDRO CC[NH+](CC)CCSCC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000610429022 566831638 /nfs/dbraw/zinc/83/16/38/566831638.db2.gz JPLOVUXCMDJSFD-HNNXBMFYSA-N 1 0 384.343 3.205 20 30 GGEDRO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000517581179 566833109 /nfs/dbraw/zinc/83/31/09/566833109.db2.gz GVUYEALYVRUBRT-GFCCVEGCSA-N 1 0 382.327 3.034 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000582156769 566835156 /nfs/dbraw/zinc/83/51/56/566835156.db2.gz GWNYAPKWQBKBKD-KRWDZBQOSA-N 1 0 376.478 3.298 20 30 GGEDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451577645 566843894 /nfs/dbraw/zinc/84/38/94/566843894.db2.gz VSUOIBSCLWUPBF-UHFFFAOYSA-N 1 0 383.945 3.293 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCc2ccc(Br)cc2OC)CC1 ZINC000543011216 566844692 /nfs/dbraw/zinc/84/46/92/566844692.db2.gz MYMDUWFNJHHXQK-UHFFFAOYSA-N 1 0 381.314 3.157 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)c(F)c1 ZINC000428533981 566852100 /nfs/dbraw/zinc/85/21/00/566852100.db2.gz HVXKUPROCHRCHL-OAHLLOKOSA-N 1 0 377.257 3.401 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(I)c2)CC1 ZINC000518008070 566860416 /nfs/dbraw/zinc/86/04/16/566860416.db2.gz SCXXGDSGLMRKLN-UHFFFAOYSA-N 1 0 399.276 3.453 20 30 GGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000451680845 566861982 /nfs/dbraw/zinc/86/19/82/566861982.db2.gz KZFURWOSRSLEGT-KGLIPLIRSA-N 1 0 387.263 3.042 20 30 GGEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000563314725 566874927 /nfs/dbraw/zinc/87/49/27/566874927.db2.gz KUOKKZVKELITQG-SFHVURJKSA-N 1 0 377.897 3.367 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1OC ZINC000543412965 566878877 /nfs/dbraw/zinc/87/88/77/566878877.db2.gz RRGQOPVUPZZLJD-SQWLQELKSA-N 1 0 382.298 3.225 20 30 GGEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCOc3ccc(Br)cc3)C2)nc1 ZINC000428797573 566879912 /nfs/dbraw/zinc/87/99/12/566879912.db2.gz DNXBHADWOMFNOR-QGZVFWFLSA-N 1 0 388.265 3.248 20 30 GGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)CC2 ZINC000518445206 566884101 /nfs/dbraw/zinc/88/41/01/566884101.db2.gz CFHNCPQDQOEPOK-GOSISDBHSA-N 1 0 384.277 3.328 20 30 GGEDRO C[NH+](C)CCN(Cc1ccccn1)c1cc(Br)c(C#N)cc1F ZINC000563426945 566884352 /nfs/dbraw/zinc/88/43/52/566884352.db2.gz OQJVFIBITJYPBN-UHFFFAOYSA-N 1 0 377.261 3.423 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cn[nH]c2)cc1OCC ZINC000582695521 566886346 /nfs/dbraw/zinc/88/63/46/566886346.db2.gz TYIGXRGLRSMTIG-UHFFFAOYSA-N 1 0 380.286 3.468 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000518497077 566887631 /nfs/dbraw/zinc/88/76/31/566887631.db2.gz VKEMMUDIFVDRLT-UHFFFAOYSA-N 1 0 391.309 3.382 20 30 GGEDRO N#Cc1cccc(OCC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000428992195 566896273 /nfs/dbraw/zinc/89/62/73/566896273.db2.gz AJAQCEAAZYKRTO-QGZVFWFLSA-N 1 0 379.229 3.162 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000518624150 566896451 /nfs/dbraw/zinc/89/64/51/566896451.db2.gz CJZJKAZZKDDHOP-DLBZAZTESA-N 1 0 378.314 3.255 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000518624151 566896720 /nfs/dbraw/zinc/89/67/20/566896720.db2.gz CJZJKAZZKDDHOP-IAGOWNOFSA-N 1 0 378.314 3.255 20 30 GGEDRO N#Cc1ccc(OCC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000429030128 566903560 /nfs/dbraw/zinc/90/35/60/566903560.db2.gz QRMYZKQFBNIENZ-QGZVFWFLSA-N 1 0 379.229 3.162 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386237 566915151 /nfs/dbraw/zinc/91/51/51/566915151.db2.gz GKJHKDKFCLCPBU-DYVFJYSZSA-N 1 0 375.266 3.411 20 30 GGEDRO COCCN(CC(=O)Nc1sccc1C#N)Cc1ccc(F)c(Cl)c1 ZINC000451976581 566915834 /nfs/dbraw/zinc/91/58/34/566915834.db2.gz NACLPCVBHATIDK-UHFFFAOYSA-N 1 0 381.860 3.499 20 30 GGEDRO Cc1cc(CC(C)(C)[NH2+]CC(=O)NC2(C#N)CCC2)ccc1Br ZINC000429239002 566916521 /nfs/dbraw/zinc/91/65/21/566916521.db2.gz SHTRCNZRDHRPDR-UHFFFAOYSA-N 1 0 378.314 3.231 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429272898 566917897 /nfs/dbraw/zinc/91/78/97/566917897.db2.gz LBMRLIDBEIHEQU-KRWDZBQOSA-N 1 0 378.314 3.424 20 30 GGEDRO C[C@@H]([NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)CCC#N ZINC000429280381 566919013 /nfs/dbraw/zinc/91/90/13/566919013.db2.gz YLRVAZJBXXSACL-WBMJQRKESA-N 1 0 378.314 3.423 20 30 GGEDRO COc1cc(Br)ccc1CCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000543878459 566919451 /nfs/dbraw/zinc/91/94/51/566919451.db2.gz ZOTVNYRQZULYHR-UHFFFAOYSA-N 1 0 396.329 3.084 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429309549 566921416 /nfs/dbraw/zinc/92/14/16/566921416.db2.gz RSJGHWGNQLVXIH-ABAIWWIYSA-N 1 0 394.313 3.062 20 30 GGEDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000492106449 566925051 /nfs/dbraw/zinc/92/50/51/566925051.db2.gz NLNWEXSTAOQCHA-UHFFFAOYSA-N 1 0 383.945 3.487 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000583143221 566925632 /nfs/dbraw/zinc/92/56/32/566925632.db2.gz BQKQMUDRMSQQEN-GJZGRUSLSA-N 1 0 381.314 3.064 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429378469 566927350 /nfs/dbraw/zinc/92/73/50/566927350.db2.gz HPJYIUCJRJALMW-QGZVFWFLSA-N 1 0 378.314 3.424 20 30 GGEDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000492438848 566932989 /nfs/dbraw/zinc/93/29/89/566932989.db2.gz JQBTWEJEWKXJBC-UHFFFAOYSA-N 1 0 383.945 3.487 20 30 GGEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)C(C)C)nc2sc(C)c(C)c2c1=O ZINC000656692723 566934111 /nfs/dbraw/zinc/93/41/11/566934111.db2.gz HKHQNIHINIHFSH-AWEZNQCLSA-N 1 0 381.567 3.054 20 30 GGEDRO CCC[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@@H+]1CCOC ZINC000492720234 566938333 /nfs/dbraw/zinc/93/83/33/566938333.db2.gz HMSPOTQOJPDNQI-KRWDZBQOSA-N 1 0 380.330 3.253 20 30 GGEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129732 566940845 /nfs/dbraw/zinc/94/08/45/566940845.db2.gz XWGRYBQHYXOKPL-HEHGZKQESA-N 1 0 376.298 3.123 20 30 GGEDRO C[NH+]1CCN(c2ccc(CNc3cccc(Br)c3C#N)cn2)CC1 ZINC000519491260 566943343 /nfs/dbraw/zinc/94/33/43/566943343.db2.gz JUWXSDHSOYGQJZ-UHFFFAOYSA-N 1 0 386.297 3.080 20 30 GGEDRO N#Cc1c(Br)cccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000519606872 566951758 /nfs/dbraw/zinc/95/17/58/566951758.db2.gz FLMOFMCXGIPMDC-UHFFFAOYSA-N 1 0 378.314 3.402 20 30 GGEDRO C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+](C2CCC2)C1 ZINC000452319829 566962738 /nfs/dbraw/zinc/96/27/38/566962738.db2.gz GJXIQDQQKWXAQF-ZDUSSCGKSA-N 1 0 376.298 3.267 20 30 GGEDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000564492480 566979463 /nfs/dbraw/zinc/97/94/63/566979463.db2.gz SRKGKABPRSRFOG-AWEZNQCLSA-N 1 0 383.945 3.094 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCn3ccnc3C2)cc1OC ZINC000494426897 567000183 /nfs/dbraw/zinc/00/01/83/567000183.db2.gz QLAAOQUSAOKBPF-CQSZACIVSA-N 1 0 392.297 3.324 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430239020 567001487 /nfs/dbraw/zinc/00/14/87/567001487.db2.gz AEVZKILYPSPUHB-INIZCTEOSA-N 1 0 382.277 3.487 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430239022 567002444 /nfs/dbraw/zinc/00/24/44/567002444.db2.gz AEVZKILYPSPUHB-MRXNPFEDSA-N 1 0 382.277 3.487 20 30 GGEDRO CCOc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000520399118 567003501 /nfs/dbraw/zinc/00/35/01/567003501.db2.gz RPZYLBIAVLUBJN-UHFFFAOYSA-N 1 0 378.881 3.174 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612972541 567006675 /nfs/dbraw/zinc/00/66/75/567006675.db2.gz YORNASFSAFICFX-MRXNPFEDSA-N 1 0 396.304 3.428 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)c(F)c2)CC1 ZINC000494809733 567023906 /nfs/dbraw/zinc/02/39/06/567023906.db2.gz HETNAUMYIFEXRK-UHFFFAOYSA-N 1 0 384.293 3.380 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCNC2=O)cc1OCC ZINC000657288164 567044519 /nfs/dbraw/zinc/04/45/19/567044519.db2.gz TXSKNXTWPILAMO-CQSZACIVSA-N 1 0 397.313 3.028 20 30 GGEDRO C=CCCn1cc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)nn1 ZINC000657329013 567047449 /nfs/dbraw/zinc/04/74/49/567047449.db2.gz HFIMLVJBDYKQIZ-HNNXBMFYSA-N 1 0 390.329 3.233 20 30 GGEDRO COc1cc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)ccc1C#N ZINC000565332604 567059418 /nfs/dbraw/zinc/05/94/18/567059418.db2.gz IFPJBRDJCFHLES-UHFFFAOYSA-N 1 0 389.249 3.390 20 30 GGEDRO N#Cc1cc(F)c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000584790899 567070934 /nfs/dbraw/zinc/07/09/34/567070934.db2.gz XGNSPOGZFUMUER-LBPRGKRZSA-N 1 0 382.277 3.373 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(SC)ccc2Cl)CC1 ZINC000657627103 567077013 /nfs/dbraw/zinc/07/70/13/567077013.db2.gz HOEIYMSOJWOQGF-UHFFFAOYSA-N 1 0 381.929 3.157 20 30 GGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453380310 567083693 /nfs/dbraw/zinc/08/36/93/567083693.db2.gz ZHWMUCICTZXJRM-WFASDCNBSA-N 1 0 379.302 3.316 20 30 GGEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000453425471 567087012 /nfs/dbraw/zinc/08/70/12/567087012.db2.gz MUIVRZVBBQVWOG-ZDUSSCGKSA-N 1 0 393.333 3.142 20 30 GGEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000453425470 567087294 /nfs/dbraw/zinc/08/72/94/567087294.db2.gz MUIVRZVBBQVWOG-CYBMUJFWSA-N 1 0 393.333 3.142 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1OC ZINC000682951460 567087734 /nfs/dbraw/zinc/08/77/34/567087734.db2.gz SLUUBTMPXLMGEM-GFCCVEGCSA-N 1 0 384.192 3.035 20 30 GGEDRO Cc1cc(Br)c(CN2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000453585351 567093859 /nfs/dbraw/zinc/09/38/59/567093859.db2.gz XMGWYUIFTAVHAN-LLVKDONJSA-N 1 0 392.326 3.191 20 30 GGEDRO C=CCOc1ccc(C[NH2+]CCCn2cc(Br)cn2)cc1OC ZINC000565736899 567093956 /nfs/dbraw/zinc/09/39/56/567093956.db2.gz JPTHGPXJNXCIRK-UHFFFAOYSA-N 1 0 380.286 3.399 20 30 GGEDRO Cc1cc(Br)c(CN2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000453585353 567094178 /nfs/dbraw/zinc/09/41/78/567094178.db2.gz XMGWYUIFTAVHAN-NSHDSACASA-N 1 0 392.326 3.191 20 30 GGEDRO C=CC[NH+]1CCC(Nc2nc(N)c3cc(OC)cc(Br)c3n2)CC1 ZINC000683185526 567102928 /nfs/dbraw/zinc/10/29/28/567102928.db2.gz TZHNPVWUKVEZEU-UHFFFAOYSA-N 1 0 392.301 3.045 20 30 GGEDRO C=CCC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccco1 ZINC000658092608 567121970 /nfs/dbraw/zinc/12/19/70/567121970.db2.gz OMQGHDQTKYSRLQ-AWEZNQCLSA-N 1 0 378.270 3.464 20 30 GGEDRO Cc1sc(C[NH2+]C[C@@H](O)CN(C)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000566107905 567125588 /nfs/dbraw/zinc/12/55/88/567125588.db2.gz BSZGQHACQWCESU-MRXNPFEDSA-N 1 0 378.929 3.068 20 30 GGEDRO Cc1sc(C[NH2+]C[C@H](O)CN(C)CCC#N)nc1-c1ccc(Cl)cc1 ZINC000566107897 567125748 /nfs/dbraw/zinc/12/57/48/567125748.db2.gz BSZGQHACQWCESU-INIZCTEOSA-N 1 0 378.929 3.068 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccsc2Br)cc1 ZINC000566128576 567127598 /nfs/dbraw/zinc/12/75/98/567127598.db2.gz FJBDEEMIOJPMLK-CQSZACIVSA-N 1 0 381.295 3.106 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000636738412 567164035 /nfs/dbraw/zinc/16/40/35/567164035.db2.gz CCINPBPQADDLFA-KRWDZBQOSA-N 1 0 386.323 3.367 20 30 GGEDRO C[C@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000589690548 567190880 /nfs/dbraw/zinc/19/08/80/567190880.db2.gz BKUZMBVZHSEHKM-GFCCVEGCSA-N 1 0 382.277 3.186 20 30 GGEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000567054117 567213532 /nfs/dbraw/zinc/21/35/32/567213532.db2.gz UZXFHJYKOQOZMP-INIZCTEOSA-N 1 0 376.298 3.225 20 30 GGEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000590193824 567213899 /nfs/dbraw/zinc/21/38/99/567213899.db2.gz UECAXUQEPFMJRK-LBPRGKRZSA-N 1 0 390.256 3.427 20 30 GGEDRO C=CCNc1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)s1 ZINC000433011262 567215575 /nfs/dbraw/zinc/21/55/75/567215575.db2.gz NTLLRNXHQVRLIS-UHFFFAOYSA-N 1 0 378.929 3.020 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCC(=O)N2)cc1OCC ZINC000433203068 567232070 /nfs/dbraw/zinc/23/20/70/567232070.db2.gz WFLNQCQTMCKLIB-AWEZNQCLSA-N 1 0 397.313 3.171 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433303030 567240085 /nfs/dbraw/zinc/24/00/85/567240085.db2.gz ZLKSDZVGWWORNN-QFBILLFUSA-N 1 0 392.341 3.368 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(F)c(I)c1 ZINC000590777787 567245981 /nfs/dbraw/zinc/24/59/81/567245981.db2.gz IOYLDOMLOMZGST-LLVKDONJSA-N 1 0 387.240 3.069 20 30 GGEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(F)c(I)c1 ZINC000590777788 567246166 /nfs/dbraw/zinc/24/61/66/567246166.db2.gz IOYLDOMLOMZGST-NSHDSACASA-N 1 0 387.240 3.069 20 30 GGEDRO C=C(C)COCCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000475424908 567246760 /nfs/dbraw/zinc/24/67/60/567246760.db2.gz UZSMILHASGIPSL-UHFFFAOYSA-N 1 0 398.345 3.115 20 30 GGEDRO Cn1cc(C[NH2+]Cc2ccc(I)cc2Cl)cc1C#N ZINC000475626218 567263097 /nfs/dbraw/zinc/26/30/97/567263097.db2.gz NEXUJWKBLQMFJH-UHFFFAOYSA-N 1 0 385.636 3.445 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1OCC ZINC000685474717 567277162 /nfs/dbraw/zinc/27/71/62/567277162.db2.gz KITYRYPKROLOPT-ZDUSSCGKSA-N 1 0 397.313 3.110 20 30 GGEDRO N#Cc1ccc(Br)c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000617194770 567290423 /nfs/dbraw/zinc/29/04/23/567290423.db2.gz BFNVDCUTDCCLJK-QGZVFWFLSA-N 1 0 378.314 3.007 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCc2cc(Br)ccc2F)cc1 ZINC000591728601 567292013 /nfs/dbraw/zinc/29/20/13/567292013.db2.gz YFCBLMDKJRYJRR-INIZCTEOSA-N 1 0 393.256 3.032 20 30 GGEDRO Cc1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000591734865 567293789 /nfs/dbraw/zinc/29/37/89/567293789.db2.gz IHDLKPNRRGYIKE-GOSISDBHSA-N 1 0 389.293 3.353 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000660598382 567312104 /nfs/dbraw/zinc/31/21/04/567312104.db2.gz XOCCZPNGBPOIKG-MRXNPFEDSA-N 1 0 386.323 3.367 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCCOc2cccc(Br)c2)CC1 ZINC000592070170 567313076 /nfs/dbraw/zinc/31/30/76/567313076.db2.gz AXXWIQWCSILXEF-UHFFFAOYSA-N 1 0 381.314 3.375 20 30 GGEDRO CC1(c2cccc(Br)c2)CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000527128301 567316090 /nfs/dbraw/zinc/31/60/90/567316090.db2.gz PJDCOIARJRCBPH-UHFFFAOYSA-N 1 0 390.325 3.365 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c(Br)c1 ZINC000592155927 567318399 /nfs/dbraw/zinc/31/83/99/567318399.db2.gz VDZYZUKDGZQFHI-GOSISDBHSA-N 1 0 398.304 3.459 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cnccn2)cc1OC ZINC000527237729 567323624 /nfs/dbraw/zinc/32/36/24/567323624.db2.gz NPBJQTWJZPGDAI-UHFFFAOYSA-N 1 0 378.270 3.145 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)c(F)c2)cc1 ZINC000568382319 567323916 /nfs/dbraw/zinc/32/39/16/567323916.db2.gz ZMBNUOAQTXIJPI-OAHLLOKOSA-N 1 0 393.256 3.184 20 30 GGEDRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592522559 567343753 /nfs/dbraw/zinc/34/37/53/567343753.db2.gz FKVLUABBSYIQQU-GOSISDBHSA-N 1 0 389.297 3.102 20 30 GGEDRO Cc1cc(SCC(=O)N[C@](C)(C#N)CN(C)C)c(C)cc1Br ZINC000568638031 567344697 /nfs/dbraw/zinc/34/46/97/567344697.db2.gz JYUAKCMZSALEMT-MRXNPFEDSA-N 1 0 384.343 3.118 20 30 GGEDRO C=CCCO[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000500945555 567354634 /nfs/dbraw/zinc/35/46/34/567354634.db2.gz OLBRTJGZNZINKM-OAHLLOKOSA-N 1 0 383.330 3.321 20 30 GGEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000548932111 567361707 /nfs/dbraw/zinc/36/17/07/567361707.db2.gz QVCKVMBNZVJJDK-ZDUSSCGKSA-N 1 0 393.306 3.445 20 30 GGEDRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCC#N ZINC000456370647 567367165 /nfs/dbraw/zinc/36/71/65/567367165.db2.gz MKVAUDUPCHNDMF-CYBMUJFWSA-N 1 0 379.302 3.222 20 30 GGEDRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC(C)(C)C#N ZINC000456370948 567367237 /nfs/dbraw/zinc/36/72/37/567367237.db2.gz MXCSZFLRKAFGKG-ZDUSSCGKSA-N 1 0 393.329 3.468 20 30 GGEDRO C=CCCO[C@H](C)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501225919 567373515 /nfs/dbraw/zinc/37/35/15/567373515.db2.gz HMMOOOOBRKCWCX-CQSZACIVSA-N 1 0 396.329 3.121 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000435747395 567386736 /nfs/dbraw/zinc/38/67/36/567386736.db2.gz HQZZPBJQIFBALR-LPHOPBHVSA-N 1 0 395.341 3.357 20 30 GGEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccoc3Br)CC2)c1 ZINC000593350746 567408714 /nfs/dbraw/zinc/40/87/14/567408714.db2.gz FSKOPIHLRAHCBU-UHFFFAOYSA-N 1 0 388.265 3.308 20 30 GGEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ncccc3Br)CC2)c1 ZINC000593351592 567408799 /nfs/dbraw/zinc/40/87/99/567408799.db2.gz NCSNXHLOOQSTBC-UHFFFAOYSA-N 1 0 399.292 3.110 20 30 GGEDRO COc1ccc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1Br ZINC000549764821 567408978 /nfs/dbraw/zinc/40/89/78/567408978.db2.gz UMKWDXUXPCFGAX-NSHDSACASA-N 1 0 386.253 3.223 20 30 GGEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cncc(Br)c3)CC2)c1 ZINC000593353199 567409266 /nfs/dbraw/zinc/40/92/66/567409266.db2.gz PVASVUPEACNXLY-UHFFFAOYSA-N 1 0 399.292 3.110 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641053605 567409869 /nfs/dbraw/zinc/40/98/69/567409869.db2.gz VDGOSFZZHQBUNY-OAHLLOKOSA-N 1 0 384.293 3.428 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000502028604 567416012 /nfs/dbraw/zinc/41/60/12/567416012.db2.gz ARQMOCKQSMYLEK-AWEZNQCLSA-N 1 0 399.304 3.071 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000502028605 567416088 /nfs/dbraw/zinc/41/60/88/567416088.db2.gz ARQMOCKQSMYLEK-CQSZACIVSA-N 1 0 399.304 3.071 20 30 GGEDRO CC(C)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(Br)cc1 ZINC000569749116 567428286 /nfs/dbraw/zinc/42/82/86/567428286.db2.gz JUHQCNNJYJHSTR-UHFFFAOYSA-N 1 0 384.281 3.431 20 30 GGEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507138 567432311 /nfs/dbraw/zinc/43/23/11/567432311.db2.gz VWCUPMGLZGYOOS-BPQIPLTHSA-N 1 0 393.325 3.249 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000594103931 567460340 /nfs/dbraw/zinc/46/03/40/567460340.db2.gz OUZZBTNFDRPHTQ-CVEARBPZSA-N 1 0 377.286 3.459 20 30 GGEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000570325762 567476402 /nfs/dbraw/zinc/47/64/02/567476402.db2.gz XCXZYMDQRRXNCC-ROUUACIJSA-N 1 0 398.320 3.225 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503392933 567483440 /nfs/dbraw/zinc/48/34/40/567483440.db2.gz OQABLXQEIOEVLH-UHFFFAOYSA-N 1 0 378.314 3.391 20 30 GGEDRO N#Cc1cc(F)c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000594543919 567484924 /nfs/dbraw/zinc/48/49/24/567484924.db2.gz GGCYFCCNKHJBKG-AWEZNQCLSA-N 1 0 382.277 3.151 20 30 GGEDRO N#Cc1cc(F)c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1Br ZINC000594543920 567485693 /nfs/dbraw/zinc/48/56/93/567485693.db2.gz GGCYFCCNKHJBKG-CQSZACIVSA-N 1 0 382.277 3.151 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)c(Cl)c1 ZINC000503447604 567485992 /nfs/dbraw/zinc/48/59/92/567485992.db2.gz LLVBCLMGNXEHDX-UHFFFAOYSA-N 1 0 381.929 3.098 20 30 GGEDRO Cc1c(Br)cccc1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000594570248 567486979 /nfs/dbraw/zinc/48/69/79/567486979.db2.gz JMJODHPBGQRXQG-QGZVFWFLSA-N 1 0 389.293 3.353 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000594575987 567487180 /nfs/dbraw/zinc/48/71/80/567487180.db2.gz NBMPPDOCTWADMY-GFCCVEGCSA-N 1 0 382.277 3.149 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000437709895 567506468 /nfs/dbraw/zinc/50/64/68/567506468.db2.gz MZYYKOUNVKCSLQ-DLBZAZTESA-N 1 0 378.314 3.255 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000594753274 567506603 /nfs/dbraw/zinc/50/66/03/567506603.db2.gz QUCJKVUXEKATQU-UHFFFAOYSA-N 1 0 377.535 3.092 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000594753328 567506766 /nfs/dbraw/zinc/50/67/66/567506766.db2.gz IOPLPNUSYJPCIZ-HNNXBMFYSA-N 1 0 377.535 3.044 20 30 GGEDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594758385 567507695 /nfs/dbraw/zinc/50/76/95/567507695.db2.gz QJSHVOTZPIAYKB-HNNXBMFYSA-N 1 0 377.535 3.186 20 30 GGEDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594757100 567507754 /nfs/dbraw/zinc/50/77/54/567507754.db2.gz KUSZTNLYGQYLKJ-HNNXBMFYSA-N 1 0 377.535 3.044 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000594771360 567510504 /nfs/dbraw/zinc/51/05/04/567510504.db2.gz QEOAYDOOSDVCSO-UHFFFAOYSA-N 1 0 377.535 3.186 20 30 GGEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000570921407 567523381 /nfs/dbraw/zinc/52/33/81/567523381.db2.gz ZVPYRRTWQNEKOH-SFHVURJKSA-N 1 0 394.357 3.057 20 30 GGEDRO Cc1c(Br)cncc1C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000594928907 567526731 /nfs/dbraw/zinc/52/67/31/567526731.db2.gz WPDWFCAEMVSQKS-UHFFFAOYSA-N 1 0 386.297 3.178 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000643985763 567527090 /nfs/dbraw/zinc/52/70/90/567527090.db2.gz YHPQVUFSZNOOJM-ZDUSSCGKSA-N 1 0 391.231 3.348 20 30 GGEDRO O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000644046629 567527745 /nfs/dbraw/zinc/52/77/45/567527745.db2.gz SVRCYWOCRZHLFU-XFWSIPNHSA-N 1 0 382.295 3.257 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000551716229 567531617 /nfs/dbraw/zinc/53/16/17/567531617.db2.gz QMLZOERTPVVPDD-CXAGYDPISA-N 1 0 378.314 3.474 20 30 GGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000595056127 567538701 /nfs/dbraw/zinc/53/87/01/567538701.db2.gz AVAOTHAZDIAJKA-KRWDZBQOSA-N 1 0 399.292 3.113 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000595109323 567542134 /nfs/dbraw/zinc/54/21/34/567542134.db2.gz AONUSLXVLWYUBE-HUBLWGQQSA-N 1 0 377.535 3.075 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000595114333 567543346 /nfs/dbraw/zinc/54/33/46/567543346.db2.gz WVLQBAKVYOKNCM-MLGOLLRUSA-N 1 0 377.535 3.219 20 30 GGEDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Br)cc3C#N)[C@H]2C1 ZINC000571201036 567545381 /nfs/dbraw/zinc/54/53/81/567545381.db2.gz GSFVWCGSHVOVSA-WBAXXEDZSA-N 1 0 376.298 3.057 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ncsc3Br)CC2)cc1 ZINC000595289218 567552022 /nfs/dbraw/zinc/55/20/22/567552022.db2.gz NSANVLPFOHGBKA-UHFFFAOYSA-N 1 0 391.338 3.485 20 30 GGEDRO N#Cc1ccc(CC[N@@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000595305992 567552724 /nfs/dbraw/zinc/55/27/24/567552724.db2.gz FPTMXMPPRDMYJA-UHFFFAOYSA-N 1 0 377.257 3.497 20 30 GGEDRO Cc1cc(Br)c(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1Cl ZINC000595397087 567561781 /nfs/dbraw/zinc/56/17/81/567561781.db2.gz HYDYDQQIZKRMKP-UHFFFAOYSA-N 1 0 396.720 3.483 20 30 GGEDRO N#Cc1ncn(CC[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)n1 ZINC000552333643 567578933 /nfs/dbraw/zinc/57/89/33/567578933.db2.gz KPKBMIATQGANGN-GOSISDBHSA-N 1 0 382.265 3.291 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439331934 567582623 /nfs/dbraw/zinc/58/26/23/567582623.db2.gz YTPXHMNGAGOEOU-UHFFFAOYSA-N 1 0 378.314 3.391 20 30 GGEDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1C#N ZINC000480287191 567594631 /nfs/dbraw/zinc/59/46/31/567594631.db2.gz FUBIMFIWKQZZRJ-INIZCTEOSA-N 1 0 377.275 3.489 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC(C)(C)CC#N ZINC000459264341 567612018 /nfs/dbraw/zinc/61/20/18/567612018.db2.gz YVOVJPDJXQZSNW-UHFFFAOYSA-N 1 0 395.345 3.462 20 30 GGEDRO CC(C)C[NH2+]C1(CO)CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000596253708 567618838 /nfs/dbraw/zinc/61/88/38/567618838.db2.gz GQLFHAXVNUJLIB-UHFFFAOYSA-N 1 0 384.293 3.037 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000622006255 567630386 /nfs/dbraw/zinc/63/03/86/567630386.db2.gz XCDOMHWXZDOUPC-RDTXWAMCSA-N 1 0 381.314 3.336 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000622006254 567630664 /nfs/dbraw/zinc/63/06/64/567630664.db2.gz XCDOMHWXZDOUPC-KSSFIOAISA-N 1 0 381.314 3.336 20 30 GGEDRO COc1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)ccc1C#N ZINC000440627986 567635833 /nfs/dbraw/zinc/63/58/33/567635833.db2.gz JNGBJWSYBJEIBQ-HNNXBMFYSA-N 1 0 389.293 3.270 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000480904648 567641120 /nfs/dbraw/zinc/64/11/20/567641120.db2.gz YCMLIAZHKHLBNA-SCLBCKFNSA-N 1 0 377.897 3.181 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2ccccc2Br)cc1 ZINC000572511758 567645025 /nfs/dbraw/zinc/64/50/25/567645025.db2.gz PPBXPEWYGSIYKR-KRWDZBQOSA-N 1 0 389.293 3.087 20 30 GGEDRO CCC[C@@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@@H+]1CCOC ZINC000481133440 567659839 /nfs/dbraw/zinc/65/98/39/567659839.db2.gz BSXHZEMAJXRVIV-QGZVFWFLSA-N 1 0 380.330 3.253 20 30 GGEDRO Cc1cccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1Br ZINC000572870353 567670845 /nfs/dbraw/zinc/67/08/45/567670845.db2.gz MMYWNYXKSWRYFP-QGZVFWFLSA-N 1 0 389.293 3.353 20 30 GGEDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000507266300 567672773 /nfs/dbraw/zinc/67/27/73/567672773.db2.gz UIROQXISEHKLIG-CQSZACIVSA-N 1 0 377.897 3.149 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(F)c(Br)c1F ZINC000597110444 567682507 /nfs/dbraw/zinc/68/25/07/567682507.db2.gz MNCWQLVGZAJORM-UHFFFAOYSA-N 1 0 389.244 3.427 20 30 GGEDRO C[N@H+](Cc1ccc(Br)cc1C#N)CC(C)(C)CN1CCOCC1 ZINC000553890677 567696322 /nfs/dbraw/zinc/69/63/22/567696322.db2.gz NVCYAIMKKMESNM-UHFFFAOYSA-N 1 0 380.330 3.111 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481726133 567698377 /nfs/dbraw/zinc/69/83/77/567698377.db2.gz PSRWTMBYRKFPGD-BONVTDFDSA-N 1 0 398.276 3.029 20 30 GGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000532498235 567719794 /nfs/dbraw/zinc/71/97/94/567719794.db2.gz MWKNJEWWZXTOMO-GZBFAFLISA-N 1 0 389.277 3.221 20 30 GGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000532498234 567720195 /nfs/dbraw/zinc/72/01/95/567720195.db2.gz MWKNJEWWZXTOMO-GUTXKFCHSA-N 1 0 389.277 3.221 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443010999 567723264 /nfs/dbraw/zinc/72/32/64/567723264.db2.gz GAICZSRCMVYIIG-VBQJREDUSA-N 1 0 381.929 3.238 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443095821 567731722 /nfs/dbraw/zinc/73/17/22/567731722.db2.gz HEZCMPOEQLZYJL-GJZGRUSLSA-N 1 0 383.945 3.248 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000443331185 567749919 /nfs/dbraw/zinc/74/99/19/567749919.db2.gz OESTVKDEPJXQIV-LLVKDONJSA-N 1 0 378.295 3.349 20 30 GGEDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443356101 567751303 /nfs/dbraw/zinc/75/13/03/567751303.db2.gz LLXJVNNOCXRVLV-UHFFFAOYSA-N 1 0 383.945 3.248 20 30 GGEDRO C=CCC[C@H](CC)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000462044096 567762606 /nfs/dbraw/zinc/76/26/06/567762606.db2.gz DKOYBCCHQPAHGQ-GJZGRUSLSA-N 1 0 389.277 3.365 20 30 GGEDRO N#Cc1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1Br ZINC000574185630 567763164 /nfs/dbraw/zinc/76/31/64/567763164.db2.gz VQHKVCBBJJEUAE-UHFFFAOYSA-N 1 0 377.286 3.317 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667674185 567764446 /nfs/dbraw/zinc/76/44/46/567764446.db2.gz CWYITIDUPBAKLI-DOMZBBRYSA-N 1 0 380.286 3.230 20 30 GGEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000533395349 567767267 /nfs/dbraw/zinc/76/72/67/567767267.db2.gz RWXPDYDIMNQPSW-LBPRGKRZSA-N 1 0 384.307 3.335 20 30 GGEDRO N#Cc1ccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c(F)c1 ZINC000533445700 567770170 /nfs/dbraw/zinc/77/01/70/567770170.db2.gz LBLCXFJDSSWTLM-UHFFFAOYSA-N 1 0 390.256 3.370 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598557952 567776790 /nfs/dbraw/zinc/77/67/90/567776790.db2.gz OOTDGXHIMYPLTB-AWEZNQCLSA-N 1 0 376.298 3.173 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000598591835 567778539 /nfs/dbraw/zinc/77/85/39/567778539.db2.gz CHHBUZAUWYRUGP-HNNXBMFYSA-N 1 0 398.320 3.007 20 30 GGEDRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598597562 567779332 /nfs/dbraw/zinc/77/93/32/567779332.db2.gz YRPQOYZFWAMLLE-CRAIPNDOSA-N 1 0 394.357 3.428 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000598593417 567779374 /nfs/dbraw/zinc/77/93/74/567779374.db2.gz AAVZHYNXVTWMLP-INIZCTEOSA-N 1 0 381.314 3.345 20 30 GGEDRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)CC(C)(C)C#N ZINC000598607623 567779390 /nfs/dbraw/zinc/77/93/90/567779390.db2.gz BKMPLGFKEVCPGA-CYBMUJFWSA-N 1 0 375.332 3.260 20 30 GGEDRO COC(=O)C[C@@](C)([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000598617449 567779885 /nfs/dbraw/zinc/77/98/85/567779885.db2.gz ROAOKIPJWKXCOJ-CRAIPNDOSA-N 1 0 397.313 3.118 20 30 GGEDRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598616291 567779932 /nfs/dbraw/zinc/77/99/32/567779932.db2.gz NRXAUVYOTRGGDF-INIZCTEOSA-N 1 0 397.313 3.115 20 30 GGEDRO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)CC(C)(C)C#N ZINC000598616295 567780450 /nfs/dbraw/zinc/78/04/50/567780450.db2.gz NRXAUVYOTRGGDF-MRXNPFEDSA-N 1 0 397.313 3.115 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000598721287 567785703 /nfs/dbraw/zinc/78/57/03/567785703.db2.gz UVYSMCARUQBKIY-QGZVFWFLSA-N 1 0 395.341 3.388 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1I ZINC000598723298 567785802 /nfs/dbraw/zinc/78/58/02/567785802.db2.gz GBJHSQBXKDQMSM-GFCCVEGCSA-N 1 0 392.668 3.335 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000598722707 567786010 /nfs/dbraw/zinc/78/60/10/567786010.db2.gz CQIXVHUDFLGBIR-GFCCVEGCSA-N 1 0 379.810 3.413 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ccc(Br)o1)C(C)C ZINC000444109189 567792988 /nfs/dbraw/zinc/79/29/88/567792988.db2.gz ZLBWNLWXVBHQLE-ZDUSSCGKSA-N 1 0 391.331 3.019 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ccc(Br)o1)C(C)C ZINC000444109187 567793210 /nfs/dbraw/zinc/79/32/10/567793210.db2.gz ZLBWNLWXVBHQLE-CYBMUJFWSA-N 1 0 391.331 3.019 20 30 GGEDRO N#CCc1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000574842224 567800470 /nfs/dbraw/zinc/80/04/70/567800470.db2.gz KYQLODRMJDEJFJ-MRXNPFEDSA-N 1 0 381.929 3.045 20 30 GGEDRO Cc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ncc1Br ZINC000598961992 567800781 /nfs/dbraw/zinc/80/07/81/567800781.db2.gz PWWNINJBDAPFIX-UHFFFAOYSA-N 1 0 386.297 3.178 20 30 GGEDRO C=CCCCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000574898364 567803271 /nfs/dbraw/zinc/80/32/71/567803271.db2.gz PHSQWXLYEAZFMP-UHFFFAOYSA-N 1 0 380.330 3.362 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC000668370187 567809002 /nfs/dbraw/zinc/80/90/02/567809002.db2.gz PRRKBEIPTIFYMY-UHFFFAOYSA-N 1 0 390.281 3.484 20 30 GGEDRO C=CCNC(=O)[C@@H](C)Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 ZINC000016927699 570249794 /nfs/dbraw/zinc/24/97/94/570249794.db2.gz PUFHTIYGAZNXMA-QWHCGFSZSA-N 1 0 393.944 3.326 20 30 GGEDRO CCOCCC[NH+]=C(NCc1csc(C)n1)NCc1ccc(OC)cc1 ZINC000058329434 570727843 /nfs/dbraw/zinc/72/78/43/570727843.db2.gz MWTRNGXHODPOJW-UHFFFAOYSA-N 1 0 376.526 3.122 20 30 GGEDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000032932899 570945953 /nfs/dbraw/zinc/94/59/53/570945953.db2.gz YYALIAUTTBCGLH-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO C=CCOc1ccccc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823932211 608602652 /nfs/dbraw/zinc/60/26/52/608602652.db2.gz SIUYHOMAQCXHLM-UHFFFAOYSA-N 1 0 391.475 3.475 20 30 GGEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000823914300 608631443 /nfs/dbraw/zinc/63/14/43/608631443.db2.gz FDBSPAWHKUNCHN-UHFFFAOYSA-N 1 0 395.463 3.081 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)COc2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000053001518 1406254604 /nfs/dbraw/zinc/25/46/04/1406254604.db2.gz PZMJNMUWMLOSCQ-JOCHJYFZSA-N 1 0 393.487 3.289 20 30 GGEDRO N#Cc1cccc(OCC[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000053050479 1406274760 /nfs/dbraw/zinc/27/47/60/1406274760.db2.gz NUMRLFIVLXDBEV-UHFFFAOYSA-N 1 0 381.451 3.105 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000053232513 1406335893 /nfs/dbraw/zinc/33/58/93/1406335893.db2.gz VVJXVGALFDUSAT-UHFFFAOYSA-N 1 0 387.524 3.305 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000053235665 1406338213 /nfs/dbraw/zinc/33/82/13/1406338213.db2.gz CGBIOJNUZBEJQN-UHFFFAOYSA-N 1 0 393.487 3.035 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000053373844 1406380674 /nfs/dbraw/zinc/38/06/74/1406380674.db2.gz SGOMIMIOUHGMBO-UHFFFAOYSA-N 1 0 393.487 3.248 20 30 GGEDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c(OC)c1 ZINC000053420192 1406389963 /nfs/dbraw/zinc/38/99/63/1406389963.db2.gz OOLWXRFYRNNNGE-AVRDEDQJSA-N 1 0 396.487 3.347 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000053420493 1406391781 /nfs/dbraw/zinc/39/17/81/1406391781.db2.gz PGLJNGNQTYHVCR-AVRDEDQJSA-N 1 0 392.503 3.429 20 30 GGEDRO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)ccc1N1CC[NH+](C)CC1 ZINC000053474282 1406408100 /nfs/dbraw/zinc/40/81/00/1406408100.db2.gz FKTKFQKHKQRUIH-QGZVFWFLSA-N 1 0 378.476 3.025 20 30 GGEDRO C[C@@H](CCc1ccco1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053978798 1406575960 /nfs/dbraw/zinc/57/59/60/1406575960.db2.gz VEDXWNCMZUZPFC-SFHVURJKSA-N 1 0 380.492 3.390 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054216750 1406654882 /nfs/dbraw/zinc/65/48/82/1406654882.db2.gz YHLVUABKEAABCQ-HNNXBMFYSA-N 1 0 392.931 3.199 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000054443614 1406737680 /nfs/dbraw/zinc/73/76/80/1406737680.db2.gz UTGBENMINBVLFD-CALCHBBNSA-N 1 0 386.540 3.480 20 30 GGEDRO Cc1cccc(OC[C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000054616277 1406786550 /nfs/dbraw/zinc/78/65/50/1406786550.db2.gz FYQXAQXZHWNUHG-IBGZPJMESA-N 1 0 394.519 3.407 20 30 GGEDRO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054868064 1406839668 /nfs/dbraw/zinc/83/96/68/1406839668.db2.gz YEHIYXHHRSIMKS-KNKQGSTJSA-N 1 0 382.552 3.149 20 30 GGEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000054990442 1406866963 /nfs/dbraw/zinc/86/69/63/1406866963.db2.gz MIPGHTZNIDGCMO-UHFFFAOYSA-N 1 0 377.492 3.312 20 30 GGEDRO CC(C)NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(N(C)C)cc1 ZINC000055009785 1406869628 /nfs/dbraw/zinc/86/96/28/1406869628.db2.gz IDZRBZJHGZTFQP-UHFFFAOYSA-O 1 0 382.553 3.466 20 30 GGEDRO CSCCCNC(=S)C(C(=O)c1ccccc1C)[n+]1cccc(CO)c1 ZINC000055013048 1406870643 /nfs/dbraw/zinc/87/06/43/1406870643.db2.gz SHOPZXROWLOKHM-UHFFFAOYSA-O 1 0 389.566 3.056 20 30 GGEDRO CC(C)(C)NC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccccc1 ZINC000055014109 1406870658 /nfs/dbraw/zinc/87/06/58/1406870658.db2.gz GIOUJGRXAAAGAY-UHFFFAOYSA-O 1 0 396.536 3.428 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000055030682 1406873508 /nfs/dbraw/zinc/87/35/08/1406873508.db2.gz CONJRLNILQIUCE-UHFFFAOYSA-N 1 0 391.475 3.173 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000055166044 1406897137 /nfs/dbraw/zinc/89/71/37/1406897137.db2.gz DIKKMHMBKNBRAJ-UHFFFAOYSA-N 1 0 375.472 3.494 20 30 GGEDRO C=CCc1cc(OC)cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1O ZINC000007315695 1398653845 /nfs/dbraw/zinc/65/38/45/1398653845.db2.gz NHVPEMIJYFEPJE-UHFFFAOYSA-N 1 0 383.448 3.360 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000010917497 1398932337 /nfs/dbraw/zinc/93/23/37/1398932337.db2.gz UOXFMUSIJRZABA-OAQYLSRUSA-N 1 0 381.476 3.145 20 30 GGEDRO N#Cc1cccc(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016401993 1399238013 /nfs/dbraw/zinc/23/80/13/1399238013.db2.gz MQSKYVGPSGLZGS-UHFFFAOYSA-N 1 0 377.444 3.340 20 30 GGEDRO N#Cc1ccc(CS(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000016733161 1399259458 /nfs/dbraw/zinc/25/94/58/1399259458.db2.gz LFUYZDUQZBLSSV-UHFFFAOYSA-N 1 0 383.517 3.164 20 30 GGEDRO COc1ccccc1NC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000017517646 1399283952 /nfs/dbraw/zinc/28/39/52/1399283952.db2.gz CWRBBMXHKRGFKJ-UHFFFAOYSA-N 1 0 380.517 3.472 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000017517685 1399284465 /nfs/dbraw/zinc/28/44/65/1399284465.db2.gz DKOBVPSFAQTQOQ-UHFFFAOYSA-N 1 0 395.488 3.371 20 30 GGEDRO Cc1ccc(CNC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000021406329 1399379073 /nfs/dbraw/zinc/37/90/73/1399379073.db2.gz GKRQISNTCZDXPW-HXUWFJFHSA-N 1 0 390.531 3.079 20 30 GGEDRO CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc2c(c1)CCCC2 ZINC000022733908 1399496298 /nfs/dbraw/zinc/49/62/98/1399496298.db2.gz DNLULXAIMJGGBV-UHFFFAOYSA-O 1 0 384.525 3.159 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCC2)C(=S)NCCOC ZINC000022794154 1399504255 /nfs/dbraw/zinc/50/42/55/1399504255.db2.gz LXCKTRGMQPCUEA-UHFFFAOYSA-O 1 0 383.537 3.200 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(N(C)C)cc1 ZINC000022795680 1399505054 /nfs/dbraw/zinc/50/50/54/1399505054.db2.gz UKNALZUUWFTRDD-UHFFFAOYSA-O 1 0 399.496 3.053 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1cccc(CO)c1 ZINC000022796525 1399505063 /nfs/dbraw/zinc/50/50/63/1399505063.db2.gz JJMAZPDGGZWZBW-UHFFFAOYSA-O 1 0 381.930 3.286 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(N(C)C)cc1 ZINC000022805382 1399506580 /nfs/dbraw/zinc/50/65/80/1399506580.db2.gz WNKMIJFXPCRWGW-UHFFFAOYSA-O 1 0 382.553 3.467 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)Cc1ccccc1 ZINC000023196994 1399538393 /nfs/dbraw/zinc/53/83/93/1399538393.db2.gz GIYFNXDSLSHKLL-WIYYLYMNSA-N 1 0 379.504 3.395 20 30 GGEDRO COc1cccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023451346 1399562086 /nfs/dbraw/zinc/56/20/86/1399562086.db2.gz SQDHIZOOIACUNJ-UHFFFAOYSA-N 1 0 377.488 3.234 20 30 GGEDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000023675297 1399579292 /nfs/dbraw/zinc/57/92/92/1399579292.db2.gz KQLLZTZYOHZUNJ-XXBNENTESA-N 1 0 396.487 3.250 20 30 GGEDRO COc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000025061415 1399730180 /nfs/dbraw/zinc/73/01/80/1399730180.db2.gz GLAPLZWBPCNOSH-UHFFFAOYSA-N 1 0 391.471 3.490 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000025228072 1399775420 /nfs/dbraw/zinc/77/54/20/1399775420.db2.gz AOIHYGGWSZRBQU-TZIWHRDSSA-N 1 0 394.471 3.101 20 30 GGEDRO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000025303767 1399793627 /nfs/dbraw/zinc/79/36/27/1399793627.db2.gz FDWBOIHMQRGFHK-HSZRJFAPSA-N 1 0 393.531 3.123 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000025449342 1399809642 /nfs/dbraw/zinc/80/96/42/1399809642.db2.gz UEZTUKGLKJDDQW-UHFFFAOYSA-N 1 0 383.473 3.249 20 30 GGEDRO CN1CC[N@H+](CCCNc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000025571007 1399820996 /nfs/dbraw/zinc/82/09/96/1399820996.db2.gz BICYXEITSGRGPV-OAQYLSRUSA-N 1 0 379.464 3.257 20 30 GGEDRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867257 1399842353 /nfs/dbraw/zinc/84/23/53/1399842353.db2.gz VBBGCSMLFDCXAB-KRWDZBQOSA-N 1 0 376.403 3.226 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@@H+](CCC(=O)N3CCc4ccccc43)CC2)cc1 ZINC000025934139 1399847773 /nfs/dbraw/zinc/84/77/73/1399847773.db2.gz YFUCVVWEZGYYCV-UHFFFAOYSA-N 1 0 388.515 3.045 20 30 GGEDRO CCOc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000026162080 1399865012 /nfs/dbraw/zinc/86/50/12/1399865012.db2.gz FQVCUXCYKPJGLT-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cccc(C#N)c1 ZINC000026327963 1399878464 /nfs/dbraw/zinc/87/84/64/1399878464.db2.gz FTMZWVOAXQSQPO-UHFFFAOYSA-N 1 0 376.460 3.146 20 30 GGEDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)Cc1cccc(C#N)c1 ZINC000026330788 1399879237 /nfs/dbraw/zinc/87/92/37/1399879237.db2.gz DLPWCJGBZGSQSO-IBGZPJMESA-N 1 0 390.531 3.159 20 30 GGEDRO COc1ccc(N2CC[NH+](CCCNc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000026761325 1399929843 /nfs/dbraw/zinc/92/98/43/1399929843.db2.gz ZWZUIFSKGKOWSF-UHFFFAOYSA-N 1 0 395.463 3.099 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000027036542 1399970085 /nfs/dbraw/zinc/97/00/85/1399970085.db2.gz FSTUWWVZTMKZKP-NWDGAFQWSA-N 1 0 398.850 3.220 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(N(C)C)cc1 ZINC000027311577 1400018006 /nfs/dbraw/zinc/01/80/06/1400018006.db2.gz DOWJWLBXVQDHHX-UHFFFAOYSA-O 1 0 384.525 3.153 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc2c(c1)CCCC2 ZINC000027308501 1400018034 /nfs/dbraw/zinc/01/80/34/1400018034.db2.gz FWWUQOQZGDYPGC-UHFFFAOYSA-O 1 0 399.536 3.036 20 30 GGEDRO CSCCCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccccc1 ZINC000027476796 1400045336 /nfs/dbraw/zinc/04/53/36/1400045336.db2.gz BSQMHEWKMINMSU-UHFFFAOYSA-O 1 0 387.550 3.191 20 30 GGEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027577996 1400061565 /nfs/dbraw/zinc/06/15/65/1400061565.db2.gz GZADGRAEZKNCGS-KRWDZBQOSA-N 1 0 396.922 3.399 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000028154957 1400134848 /nfs/dbraw/zinc/13/48/48/1400134848.db2.gz SORFHDLBODHGIA-NRFANRHFSA-N 1 0 399.922 3.159 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000028321282 1400150586 /nfs/dbraw/zinc/15/05/86/1400150586.db2.gz WWXMQTJNZNMMRU-HSZRJFAPSA-N 1 0 378.520 3.200 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000028321278 1400150736 /nfs/dbraw/zinc/15/07/36/1400150736.db2.gz WWXMQTJNZNMMRU-QHCPKHFHSA-N 1 0 378.520 3.200 20 30 GGEDRO CCOc1ccccc1N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000028843536 1400202617 /nfs/dbraw/zinc/20/26/17/1400202617.db2.gz PLHWXGMVJMLAAX-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3O)CC2)cc1Cl ZINC000028843805 1400202624 /nfs/dbraw/zinc/20/26/24/1400202624.db2.gz UXZOWCBUODUYRW-UHFFFAOYSA-N 1 0 384.867 3.068 20 30 GGEDRO COc1ccccc1NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961364 1400216738 /nfs/dbraw/zinc/21/67/38/1400216738.db2.gz LVNLHAXOEGORIL-GOSISDBHSA-N 1 0 392.503 3.102 20 30 GGEDRO Cc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000028960352 1400216765 /nfs/dbraw/zinc/21/67/65/1400216765.db2.gz LBYHJDDAYRQDHV-UHFFFAOYSA-N 1 0 376.504 3.322 20 30 GGEDRO N#Cc1ccc(NCCCN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000029170820 1400252907 /nfs/dbraw/zinc/25/29/07/1400252907.db2.gz WDAAZHQWZKFWLE-UHFFFAOYSA-N 1 0 379.464 3.086 20 30 GGEDRO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4ccc(C#N)cn4)CC3)n2)cc1 ZINC000029585843 1400318286 /nfs/dbraw/zinc/31/82/86/1400318286.db2.gz RSZNOKQASHWAFZ-UHFFFAOYSA-N 1 0 388.475 3.067 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(C)c3)CC2)c(OC)c1 ZINC000029632702 1400325692 /nfs/dbraw/zinc/32/56/92/1400325692.db2.gz IBWVDPYYTLCEPW-QFIPXVFZSA-N 1 0 396.531 3.294 20 30 GGEDRO CNC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000029931363 1400381977 /nfs/dbraw/zinc/38/19/77/1400381977.db2.gz NARLUUZKSJNMEZ-UHFFFAOYSA-N 1 0 384.867 3.032 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 ZINC000029983756 1400391676 /nfs/dbraw/zinc/39/16/76/1400391676.db2.gz XIIFGNIBKZKXHN-UHFFFAOYSA-N 1 0 387.439 3.013 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)N(C)C2(C#N)CCCCC2)C[C@H](C)O1 ZINC000055869779 1407109880 /nfs/dbraw/zinc/10/98/80/1407109880.db2.gz JCQGCQWQQJWUIG-KDURUIRLSA-N 1 0 398.551 3.393 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000055870012 1407110204 /nfs/dbraw/zinc/11/02/04/1407110204.db2.gz KZPWYKRLHXRPCC-ROUUACIJSA-N 1 0 392.503 3.412 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)N(C)C2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000055869781 1407110225 /nfs/dbraw/zinc/11/02/25/1407110225.db2.gz JCQGCQWQQJWUIG-RTBURBONSA-N 1 0 398.551 3.393 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000055870173 1407111088 /nfs/dbraw/zinc/11/10/88/1407111088.db2.gz JLDQLOCCHFCSSF-CALCHBBNSA-N 1 0 378.476 3.218 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000055870174 1407111217 /nfs/dbraw/zinc/11/12/17/1407111217.db2.gz JLDQLOCCHFCSSF-IRXDYDNUSA-N 1 0 378.476 3.218 20 30 GGEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055933465 1407138302 /nfs/dbraw/zinc/13/83/02/1407138302.db2.gz XXNQKAVOKFWVOT-HNNXBMFYSA-N 1 0 388.581 3.489 20 30 GGEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000056160013 1407233706 /nfs/dbraw/zinc/23/37/06/1407233706.db2.gz JLLJITGPKGYFJR-CVEARBPZSA-N 1 0 383.467 3.348 20 30 GGEDRO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cccc(C#N)c3)c(C)c2)CC1 ZINC000056170188 1407238215 /nfs/dbraw/zinc/23/82/15/1407238215.db2.gz BPRVHPHPTKFTHT-SFHVURJKSA-N 1 0 391.519 3.448 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056327364 1407298937 /nfs/dbraw/zinc/29/89/37/1407298937.db2.gz ONNJRZMZTIZDMH-UHFFFAOYSA-N 1 0 379.460 3.223 20 30 GGEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)N(C)C ZINC000056510633 1407349269 /nfs/dbraw/zinc/34/92/69/1407349269.db2.gz YFMAIRSNEAGIQB-UHFFFAOYSA-N 1 0 390.553 3.017 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1cccs1 ZINC000043145291 1403718845 /nfs/dbraw/zinc/71/88/45/1403718845.db2.gz KYEXOHFJIMROGH-LJQANCHMSA-N 1 0 397.548 3.144 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000043490395 1403772054 /nfs/dbraw/zinc/77/20/54/1403772054.db2.gz DSXDVBVOHXQHTH-UHFFFAOYSA-N 1 0 377.492 3.282 20 30 GGEDRO CC(=O)Nc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043655932 1403797060 /nfs/dbraw/zinc/79/70/60/1403797060.db2.gz LSPGJNUDKMVCID-UHFFFAOYSA-N 1 0 391.475 3.256 20 30 GGEDRO CCc1ccc([C@@H](CNC(=O)CCc2c(C)nn(CCC#N)c2C)[NH+](C)C)cc1 ZINC000043728993 1403809070 /nfs/dbraw/zinc/80/90/70/1403809070.db2.gz DEVZRCKNSLTSRF-JOCHJYFZSA-N 1 0 395.551 3.328 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(C)C ZINC000043871102 1403837024 /nfs/dbraw/zinc/83/70/24/1403837024.db2.gz NUHKHCFIAPTTHG-CRAIPNDOSA-N 1 0 386.496 3.226 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(C)C ZINC000043871101 1403837118 /nfs/dbraw/zinc/83/71/18/1403837118.db2.gz NUHKHCFIAPTTHG-YJBOKZPZSA-N 1 0 386.496 3.226 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccccc1CC ZINC000044557882 1403950618 /nfs/dbraw/zinc/95/06/18/1403950618.db2.gz SNPGKISBUCZACI-UHFFFAOYSA-O 1 0 396.536 3.360 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1cccc(C)c1 ZINC000044557796 1403950658 /nfs/dbraw/zinc/95/06/58/1403950658.db2.gz QBGCCQOTPRJUJP-UHFFFAOYSA-O 1 0 394.520 3.272 20 30 GGEDRO CC(C)NC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc(CO)c1 ZINC000044557439 1403950711 /nfs/dbraw/zinc/95/07/11/1403950711.db2.gz LZNYJTVVGKEYJR-UHFFFAOYSA-O 1 0 383.537 3.282 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000044566359 1403951192 /nfs/dbraw/zinc/95/11/92/1403951192.db2.gz LCQIGPYEVFYDEI-UHFFFAOYSA-N 1 0 391.450 3.087 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc(CCC)no1 ZINC000045002974 1404034996 /nfs/dbraw/zinc/03/49/96/1404034996.db2.gz SEECZGLJURHAKQ-UHFFFAOYSA-N 1 0 376.530 3.120 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000045293562 1404093087 /nfs/dbraw/zinc/09/30/87/1404093087.db2.gz DPWHGFLJLYAWQX-BJMVGYQFSA-N 1 0 390.487 3.301 20 30 GGEDRO CC(C)C[NH+]1CCC(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000045433226 1404121073 /nfs/dbraw/zinc/12/10/73/1404121073.db2.gz LDORXEISNFRJFN-UHFFFAOYSA-N 1 0 381.442 3.477 20 30 GGEDRO COc1cccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000045759826 1404196759 /nfs/dbraw/zinc/19/67/59/1404196759.db2.gz RZOQUKYXXOOOFZ-UHFFFAOYSA-N 1 0 392.503 3.027 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CC[NH+](C3CCCC3)CC2)sc2c1CCCC2 ZINC000045767533 1404197997 /nfs/dbraw/zinc/19/79/97/1404197997.db2.gz UPOPXDWXEOZXDC-UHFFFAOYSA-N 1 0 386.565 3.387 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000045785585 1404204535 /nfs/dbraw/zinc/20/45/35/1404204535.db2.gz AIBBNVKFFABORD-UHFFFAOYSA-N 1 0 387.487 3.007 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000045812503 1404212735 /nfs/dbraw/zinc/21/27/35/1404212735.db2.gz RDPLSUILPSEWHO-JKSUJKDBSA-N 1 0 382.508 3.417 20 30 GGEDRO C[NH+](C)Cc1ccc(CNC(=O)NCCSCc2ccccc2C#N)cc1 ZINC000045864902 1404228494 /nfs/dbraw/zinc/22/84/94/1404228494.db2.gz AHSIOQTYCQEUHB-UHFFFAOYSA-N 1 0 382.533 3.352 20 30 GGEDRO CCOc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000045882889 1404233912 /nfs/dbraw/zinc/23/39/12/1404233912.db2.gz SOOVRQTYCANQLJ-UHFFFAOYSA-N 1 0 380.492 3.230 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nn(C(C)C)c(=O)c2ccccc21)C(C)C ZINC000046049463 1404284934 /nfs/dbraw/zinc/28/49/34/1404284934.db2.gz ZZSXSHYOWKRCRT-FQEVSTJZSA-N 1 0 396.535 3.406 20 30 GGEDRO CCOCc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000046178459 1404321816 /nfs/dbraw/zinc/32/18/16/1404321816.db2.gz DZHZFUMCFUCDJI-UHFFFAOYSA-N 1 0 394.519 3.368 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(N2CCOCC2)c1)C(C)C ZINC000056707269 1407403082 /nfs/dbraw/zinc/40/30/82/1407403082.db2.gz GEXZRKKUWBOKTP-NRFANRHFSA-N 1 0 386.540 3.343 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000046714534 1404562804 /nfs/dbraw/zinc/56/28/04/1404562804.db2.gz HJKAISVOAXBHQH-GOSISDBHSA-N 1 0 377.488 3.485 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000046739040 1404574482 /nfs/dbraw/zinc/57/44/82/1404574482.db2.gz GGDZQHHEKPEXRQ-GOSISDBHSA-N 1 0 397.475 3.272 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000046751408 1404576712 /nfs/dbraw/zinc/57/67/12/1404576712.db2.gz SCDDCJRITYXMQS-HXUWFJFHSA-N 1 0 397.567 3.040 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046788046 1404590221 /nfs/dbraw/zinc/59/02/21/1404590221.db2.gz JDVZZCJSOHHSIC-UHFFFAOYSA-N 1 0 381.476 3.104 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NCc1ccccc1C[NH+](C)C ZINC000046796063 1404592483 /nfs/dbraw/zinc/59/24/83/1404592483.db2.gz SBQUBOFJLPMNCR-UHFFFAOYSA-N 1 0 381.476 3.104 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)C(C)C ZINC000046905578 1404629682 /nfs/dbraw/zinc/62/96/82/1404629682.db2.gz QVAMYPFDGMYBTP-OXQOHEQNSA-N 1 0 384.524 3.240 20 30 GGEDRO CC(C)n1ncc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cnc21 ZINC000047011388 1404674496 /nfs/dbraw/zinc/67/44/96/1404674496.db2.gz IMIFGJQANXSLEX-UHFFFAOYSA-N 1 0 390.491 3.088 20 30 GGEDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000047011016 1404674551 /nfs/dbraw/zinc/67/45/51/1404674551.db2.gz FHCTYVMVWKXTAE-UHFFFAOYSA-N 1 0 396.447 3.069 20 30 GGEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000047011357 1404674858 /nfs/dbraw/zinc/67/48/58/1404674858.db2.gz TWJYCPVRECPBMP-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(F)cc1Cl ZINC000047011066 1404674881 /nfs/dbraw/zinc/67/48/81/1404674881.db2.gz OSVVWCZZLZNGFH-UHFFFAOYSA-N 1 0 389.858 3.320 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000047011842 1404674922 /nfs/dbraw/zinc/67/49/22/1404674922.db2.gz CSBHHZCGEAEIDB-UHFFFAOYSA-N 1 0 388.471 3.346 20 30 GGEDRO Cc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)[nH]n2)cc1 ZINC000047011786 1404675311 /nfs/dbraw/zinc/67/53/11/1404675311.db2.gz YECROEQMKMPCFK-UHFFFAOYSA-N 1 0 387.487 3.461 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047037830 1404683994 /nfs/dbraw/zinc/68/39/94/1404683994.db2.gz MFYIGBWQHUBJRH-QZTJIDSGSA-N 1 0 387.572 3.221 20 30 GGEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(C#N)cc1 ZINC000047052626 1404688601 /nfs/dbraw/zinc/68/86/01/1404688601.db2.gz GSOXNBMJRJUCAW-GOSISDBHSA-N 1 0 387.487 3.408 20 30 GGEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000047052204 1404688969 /nfs/dbraw/zinc/68/89/69/1404688969.db2.gz KPJSKFWHOLEAJL-QGZVFWFLSA-N 1 0 375.476 3.264 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000047281148 1404784969 /nfs/dbraw/zinc/78/49/69/1404784969.db2.gz WPJVUCIMNIETNP-UHFFFAOYSA-N 1 0 395.528 3.239 20 30 GGEDRO CCC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000047740227 1404913655 /nfs/dbraw/zinc/91/36/55/1404913655.db2.gz ZTRVGOZJSWXKAC-UHFFFAOYSA-N 1 0 395.503 3.446 20 30 GGEDRO COc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000047748622 1404919241 /nfs/dbraw/zinc/91/92/41/1404919241.db2.gz FKLYDWKYUDHFFV-NRFANRHFSA-N 1 0 378.476 3.203 20 30 GGEDRO COc1ccc([C@H](CNC(=O)NCc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000047748617 1404919358 /nfs/dbraw/zinc/91/93/58/1404919358.db2.gz HXIFOALXVFVIKK-NRFANRHFSA-N 1 0 378.476 3.203 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)NCc2cccc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000047748615 1404919782 /nfs/dbraw/zinc/91/97/82/1404919782.db2.gz HXIFOALXVFVIKK-OAQYLSRUSA-N 1 0 378.476 3.203 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(N2CCNC2=O)c1)C(C)C ZINC000047892813 1404986962 /nfs/dbraw/zinc/98/69/62/1404986962.db2.gz UUIVIJMRNJDKRR-IBGZPJMESA-N 1 0 385.512 3.036 20 30 GGEDRO Cc1ccc(CNC(=O)C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1F ZINC000047893772 1404987982 /nfs/dbraw/zinc/98/79/82/1404987982.db2.gz CEKHXTSIFYPFTA-UHFFFAOYSA-N 1 0 395.478 3.413 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)NCc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000047914863 1404994223 /nfs/dbraw/zinc/99/42/23/1404994223.db2.gz USSWOJAXKGGYHY-FQEVSTJZSA-N 1 0 378.476 3.203 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000047986382 1405018973 /nfs/dbraw/zinc/01/89/73/1405018973.db2.gz TWRMAIFSTZLSPI-OAQYLSRUSA-N 1 0 378.476 3.203 20 30 GGEDRO COc1cccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+](C)C)c1 ZINC000048087434 1405050090 /nfs/dbraw/zinc/05/00/90/1405050090.db2.gz ATOJGPDQIKOHHY-FQEVSTJZSA-N 1 0 383.517 3.219 20 30 GGEDRO C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000048140159 1405070139 /nfs/dbraw/zinc/07/01/39/1405070139.db2.gz ALRDYOKQWXQHLI-QGZVFWFLSA-N 1 0 379.529 3.354 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000048149529 1405075503 /nfs/dbraw/zinc/07/55/03/1405075503.db2.gz POVKSIFMNQADHP-IBGZPJMESA-N 1 0 384.455 3.166 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCC#Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000048415585 1405182603 /nfs/dbraw/zinc/18/26/03/1405182603.db2.gz SJRZVHJRYAZZRX-PMACEKPBSA-N 1 0 391.515 3.147 20 30 GGEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(OCC#N)c3)CC2)cc1 ZINC000048516423 1405213615 /nfs/dbraw/zinc/21/36/15/1405213615.db2.gz GSLDUYIZRNLTMP-UHFFFAOYSA-N 1 0 394.475 3.337 20 30 GGEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CCCC1 ZINC000048744213 1405278010 /nfs/dbraw/zinc/27/80/10/1405278010.db2.gz SOHZGEMVTAIOPM-UHFFFAOYSA-N 1 0 395.528 3.077 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1OC ZINC000048785334 1405291555 /nfs/dbraw/zinc/29/15/55/1405291555.db2.gz NRKFXHCQCFZKKC-UHFFFAOYSA-N 1 0 381.476 3.049 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000048807393 1405294854 /nfs/dbraw/zinc/29/48/54/1405294854.db2.gz LAISOZWQBOFQHF-UHFFFAOYSA-N 1 0 392.503 3.201 20 30 GGEDRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[NH+](C)C)cc1 ZINC000048846648 1405305632 /nfs/dbraw/zinc/30/56/32/1405305632.db2.gz NVBFXYZMSYDVSV-LJQANCHMSA-N 1 0 398.894 3.132 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000048850913 1405307757 /nfs/dbraw/zinc/30/77/57/1405307757.db2.gz WALJLKCNRYBIPS-LJQANCHMSA-N 1 0 398.894 3.349 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1Cl ZINC000048853671 1405309098 /nfs/dbraw/zinc/30/90/98/1405309098.db2.gz PLAQITPHPJJWTR-IBGZPJMESA-N 1 0 396.878 3.103 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000050026684 1405455832 /nfs/dbraw/zinc/45/58/32/1405455832.db2.gz XIHSIHJSFOTUOR-NRFANRHFSA-N 1 0 380.492 3.178 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000050031813 1405458394 /nfs/dbraw/zinc/45/83/94/1405458394.db2.gz YGJMHABRFYFOMZ-GOSISDBHSA-N 1 0 389.499 3.461 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000050076377 1405473243 /nfs/dbraw/zinc/47/32/43/1405473243.db2.gz UBTRWRSJCBPNTQ-MRXNPFEDSA-N 1 0 386.525 3.343 20 30 GGEDRO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000051058296 1405715893 /nfs/dbraw/zinc/71/58/93/1405715893.db2.gz PSUQUVCRSSPHKZ-FQEVSTJZSA-N 1 0 398.551 3.178 20 30 GGEDRO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132793 1405728545 /nfs/dbraw/zinc/72/85/45/1405728545.db2.gz FMHKNBVBVDTTQP-QNWVGRARSA-N 1 0 380.488 3.398 20 30 GGEDRO C[NH+]=C(NCc1ccnc(-n2cccn2)c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000175574486 1427819618 /nfs/dbraw/zinc/81/96/18/1427819618.db2.gz JDQVWTPXKWTJPC-LJQANCHMSA-N 1 0 392.482 3.046 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000051557788 1405831699 /nfs/dbraw/zinc/83/16/99/1405831699.db2.gz JVMJOYPGQKZOOD-GMAHTHKFSA-N 1 0 398.478 3.313 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000051557789 1405831862 /nfs/dbraw/zinc/83/18/62/1405831862.db2.gz JVMJOYPGQKZOOD-JTHBVZDNSA-N 1 0 398.478 3.313 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000051759398 1405860810 /nfs/dbraw/zinc/86/08/10/1405860810.db2.gz PQFHDOZOEUAWCQ-UHFFFAOYSA-N 1 0 376.570 3.004 20 30 GGEDRO C=CCc1cc(CNC(=O)NC2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC000051778197 1405862518 /nfs/dbraw/zinc/86/25/18/1405862518.db2.gz LIDJGCSGCRTKRQ-UHFFFAOYSA-N 1 0 375.513 3.104 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000051852229 1405875453 /nfs/dbraw/zinc/87/54/53/1405875453.db2.gz WHZGKOQYVBTPAJ-UHFFFAOYSA-N 1 0 396.922 3.430 20 30 GGEDRO CCC[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccc(C#N)cc1 ZINC000051855303 1405876221 /nfs/dbraw/zinc/87/62/21/1405876221.db2.gz LHPIJCJNLSUFQE-JOCHJYFZSA-N 1 0 390.531 3.413 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2sccc2C#N)cc1OC ZINC000052148052 1405953763 /nfs/dbraw/zinc/95/37/63/1405953763.db2.gz ZPGYPAZEUZKEJL-UHFFFAOYSA-N 1 0 387.505 3.279 20 30 GGEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(CCC#N)Cc2ccco2)CC1 ZINC000176292560 1428224978 /nfs/dbraw/zinc/22/49/78/1428224978.db2.gz QGZFIVJNZHOBQE-UHFFFAOYSA-N 1 0 394.519 3.038 20 30 GGEDRO C[C@H](COc1cccc(F)c1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000052581737 1406088819 /nfs/dbraw/zinc/08/88/19/1406088819.db2.gz UOANBSAGKSLZRW-QGZVFWFLSA-N 1 0 398.482 3.238 20 30 GGEDRO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000052635171 1406100091 /nfs/dbraw/zinc/10/00/91/1406100091.db2.gz LPONDQGLECVUOG-HXUWFJFHSA-N 1 0 390.531 3.154 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801117 1406173194 /nfs/dbraw/zinc/17/31/94/1406173194.db2.gz DRMCZIRJCYKPEF-UHFFFAOYSA-N 1 0 379.489 3.032 20 30 GGEDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801387 1406173591 /nfs/dbraw/zinc/17/35/91/1406173591.db2.gz KGEPAEMTYATOBJ-FQEVSTJZSA-N 1 0 390.531 3.426 20 30 GGEDRO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801126 1406173676 /nfs/dbraw/zinc/17/36/76/1406173676.db2.gz NGOUDRAZBLTTBM-SFHVURJKSA-N 1 0 394.494 3.257 20 30 GGEDRO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052801289 1406174078 /nfs/dbraw/zinc/17/40/78/1406174078.db2.gz IKRUYHDESAKJPT-UHFFFAOYSA-N 1 0 390.487 3.302 20 30 GGEDRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801386 1406174316 /nfs/dbraw/zinc/17/43/16/1406174316.db2.gz KGEPAEMTYATOBJ-HXUWFJFHSA-N 1 0 390.531 3.426 20 30 GGEDRO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801127 1406175166 /nfs/dbraw/zinc/17/51/66/1406175166.db2.gz NGOUDRAZBLTTBM-GOSISDBHSA-N 1 0 394.494 3.257 20 30 GGEDRO CCC[N@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)Cc1ccc(C#N)cc1 ZINC000052826075 1406189678 /nfs/dbraw/zinc/18/96/78/1406189678.db2.gz SODVPFLODOAGAE-UHFFFAOYSA-N 1 0 394.475 3.265 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052829847 1406191206 /nfs/dbraw/zinc/19/12/06/1406191206.db2.gz XPPQHLLFBPMWFD-CVEARBPZSA-N 1 0 392.931 3.199 20 30 GGEDRO C[NH+](C)CCC1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056829419 1407447277 /nfs/dbraw/zinc/44/72/77/1407447277.db2.gz PLHDPTULFNABSL-UHFFFAOYSA-N 1 0 381.442 3.430 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000056840215 1407450995 /nfs/dbraw/zinc/45/09/95/1407450995.db2.gz QWQVKDNTHYRILQ-NRFANRHFSA-N 1 0 380.467 3.458 20 30 GGEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056893275 1407467445 /nfs/dbraw/zinc/46/74/45/1407467445.db2.gz QILJQBPMRREXLC-UHFFFAOYSA-N 1 0 394.519 3.452 20 30 GGEDRO C[NH+]=C(NCc1ccoc1)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000176315815 1428240546 /nfs/dbraw/zinc/24/05/46/1428240546.db2.gz SVLBSNMOOOOFOG-CQSZACIVSA-N 1 0 391.313 3.234 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000056984882 1407493472 /nfs/dbraw/zinc/49/34/72/1407493472.db2.gz OJYBADJFVOZDGG-UHFFFAOYSA-N 1 0 375.472 3.305 20 30 GGEDRO N#CCc1cccc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000056995828 1407494873 /nfs/dbraw/zinc/49/48/73/1407494873.db2.gz CZOLEUFCFLHLRD-UHFFFAOYSA-N 1 0 390.531 3.080 20 30 GGEDRO C[NH+]1CCN(Cc2cccc(NC(=O)CSCc3ccc(C#N)cc3)c2)CC1 ZINC000057055342 1407510435 /nfs/dbraw/zinc/51/04/35/1407510435.db2.gz KNFGHKOUAFZAMP-UHFFFAOYSA-N 1 0 394.544 3.178 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)CC1 ZINC000057152406 1407536575 /nfs/dbraw/zinc/53/65/75/1407536575.db2.gz OVLCRVNRCWVIQB-UHFFFAOYSA-N 1 0 385.489 3.111 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cccc(C#N)c2)cc1OC ZINC000057168141 1407542162 /nfs/dbraw/zinc/54/21/62/1407542162.db2.gz YGPRYMZIZRFNMD-UHFFFAOYSA-N 1 0 381.476 3.217 20 30 GGEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000176325880 1428246057 /nfs/dbraw/zinc/24/60/57/1428246057.db2.gz QAPUQLAZZCSLBI-OAQYLSRUSA-N 1 0 392.503 3.252 20 30 GGEDRO C[C@@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176328401 1428248173 /nfs/dbraw/zinc/24/81/73/1428248173.db2.gz WUBOGJQRTQBSQR-LJQANCHMSA-N 1 0 392.503 3.395 20 30 GGEDRO COc1ccc(CCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000057389877 1407605059 /nfs/dbraw/zinc/60/50/59/1407605059.db2.gz XAUHXKPEFUMSCH-UHFFFAOYSA-N 1 0 394.519 3.273 20 30 GGEDRO N#CC1(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000057433174 1407617051 /nfs/dbraw/zinc/61/70/51/1407617051.db2.gz VIULMXVQULKUBL-UHFFFAOYSA-N 1 0 382.552 3.175 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000057612508 1407665338 /nfs/dbraw/zinc/66/53/38/1407665338.db2.gz OQEYDFSCOIAZBI-LJQANCHMSA-N 1 0 386.521 3.081 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000057612679 1407665960 /nfs/dbraw/zinc/66/59/60/1407665960.db2.gz BXMBAEJJMUXAQE-OALUTQOASA-N 1 0 386.540 3.084 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000057613216 1407666912 /nfs/dbraw/zinc/66/69/12/1407666912.db2.gz VOQBEVYOYMLGNK-LJQANCHMSA-N 1 0 386.540 3.228 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000057613144 1407667010 /nfs/dbraw/zinc/66/70/10/1407667010.db2.gz DTSDADHHSPYPOT-UHFFFAOYSA-N 1 0 386.540 3.228 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000057617660 1407668844 /nfs/dbraw/zinc/66/88/44/1407668844.db2.gz WHSXYPREMPDFAT-GCJKJVERSA-N 1 0 386.540 3.227 20 30 GGEDRO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccc(C#N)cc2OC)cc1 ZINC000057816393 1407726605 /nfs/dbraw/zinc/72/66/05/1407726605.db2.gz SWQBRRKMKHZIOR-UHFFFAOYSA-N 1 0 381.476 3.104 20 30 GGEDRO C[C@H]1CCC[C@](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)([NH+](C)C)C1 ZINC000057859055 1407740734 /nfs/dbraw/zinc/74/07/34/1407740734.db2.gz LCLJOWZEMDONEC-CVDCTZTESA-N 1 0 397.567 3.290 20 30 GGEDRO COc1ccc(CN(C)C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000058396994 1407822208 /nfs/dbraw/zinc/82/22/08/1407822208.db2.gz KBMRFOACSUBWBT-UHFFFAOYSA-N 1 0 395.503 3.444 20 30 GGEDRO CC(C)[N@H+](CC(=O)NCCCN(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000058396940 1407822233 /nfs/dbraw/zinc/82/22/33/1407822233.db2.gz UESGBHIWLQRFRE-UHFFFAOYSA-N 1 0 378.520 3.411 20 30 GGEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3cc(C#N)ccc3C)cc2)CC1 ZINC000058452246 1407831320 /nfs/dbraw/zinc/83/13/20/1407831320.db2.gz LHBHQKBRWVDAFC-UHFFFAOYSA-N 1 0 391.519 3.326 20 30 GGEDRO N#Cc1ccccc1/C=C/C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000058490091 1407836009 /nfs/dbraw/zinc/83/60/09/1407836009.db2.gz XZWWHWBWYAKLSV-OUKQBFOZSA-N 1 0 388.515 3.290 20 30 GGEDRO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000058580510 1407847527 /nfs/dbraw/zinc/84/75/27/1407847527.db2.gz DLUAJJMTPQZDLO-NRFANRHFSA-N 1 0 379.504 3.127 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000058879852 1407893568 /nfs/dbraw/zinc/89/35/68/1407893568.db2.gz ZEEWGFBLSFTRSF-UHFFFAOYSA-N 1 0 391.450 3.087 20 30 GGEDRO N#Cc1ccccc1OCC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000060367001 1407962635 /nfs/dbraw/zinc/96/26/35/1407962635.db2.gz ALCJZOFEZFAARX-UHFFFAOYSA-N 1 0 375.432 3.262 20 30 GGEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000176377730 1428284772 /nfs/dbraw/zinc/28/47/72/1428284772.db2.gz DLYIFXVJUIREEL-MSOLQXFVSA-N 1 0 379.426 3.325 20 30 GGEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CNc1ccc(C#N)cc1 ZINC000061647190 1408157665 /nfs/dbraw/zinc/15/76/65/1408157665.db2.gz QRLCJXUVQNZPDG-UHFFFAOYSA-N 1 0 380.517 3.466 20 30 GGEDRO CC[NH+](CC)CCn1c(SC[C@@H](C#N)CCC#N)nc2ccccc2c1=O ZINC000061729118 1408166052 /nfs/dbraw/zinc/16/60/52/1408166052.db2.gz LSGUKYFZANALGQ-MRXNPFEDSA-N 1 0 383.521 3.274 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)/C=C/c2ccccc2C#N)c1 ZINC000061867173 1408186016 /nfs/dbraw/zinc/18/60/16/1408186016.db2.gz OGTQIIGFJJSZFX-OUKQBFOZSA-N 1 0 390.487 3.282 20 30 GGEDRO C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000061968613 1408195708 /nfs/dbraw/zinc/19/57/08/1408195708.db2.gz BDRSYROMANWDQT-LJQANCHMSA-N 1 0 391.519 3.131 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)cc1Cl)C(C)C ZINC000062205183 1408218154 /nfs/dbraw/zinc/21/81/54/1408218154.db2.gz WTFYQJHPTHDNER-GOSISDBHSA-N 1 0 377.916 3.402 20 30 GGEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000062484639 1408265494 /nfs/dbraw/zinc/26/54/94/1408265494.db2.gz ZMJAEWDLKWSYMJ-UHFFFAOYSA-N 1 0 383.467 3.111 20 30 GGEDRO CCN(C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000176407307 1428306274 /nfs/dbraw/zinc/30/62/74/1428306274.db2.gz QIWRHSOAWASUNH-GOEBONIOSA-N 1 0 382.430 3.091 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081102 1408301861 /nfs/dbraw/zinc/30/18/61/1408301861.db2.gz JLCDLOBCZXMNOY-GOSISDBHSA-N 1 0 377.488 3.354 20 30 GGEDRO N#Cc1ccc(OCC[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000063301902 1408333176 /nfs/dbraw/zinc/33/31/76/1408333176.db2.gz OKRWKCXYLHRQMW-UHFFFAOYSA-N 1 0 383.517 3.069 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(=NNC(=S)NCCc3cccs3)CC2)cc1 ZINC000063381975 1408347348 /nfs/dbraw/zinc/34/73/48/1408347348.db2.gz OPJYSGVOQHACEE-UHFFFAOYSA-N 1 0 397.573 3.278 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000063401476 1408348795 /nfs/dbraw/zinc/34/87/95/1408348795.db2.gz KOCCVQTYVJZAGZ-UHFFFAOYSA-N 1 0 392.503 3.396 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000063526212 1408367758 /nfs/dbraw/zinc/36/77/58/1408367758.db2.gz OASVACRPCXHWGS-UHFFFAOYSA-N 1 0 386.517 3.017 20 30 GGEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1 ZINC000063549906 1408370872 /nfs/dbraw/zinc/37/08/72/1408370872.db2.gz ZGIMYKZDXWTOCC-UHFFFAOYSA-N 1 0 388.533 3.369 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063548487 1408370917 /nfs/dbraw/zinc/37/09/17/1408370917.db2.gz CGSPVPJISOGBRM-KRWDZBQOSA-N 1 0 379.378 3.247 20 30 GGEDRO CC(C)[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)cc1 ZINC000063750725 1408401587 /nfs/dbraw/zinc/40/15/87/1408401587.db2.gz UYJATZDJURLDJX-UHFFFAOYSA-N 1 0 392.503 3.244 20 30 GGEDRO CC(C)[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063750710 1408401689 /nfs/dbraw/zinc/40/16/89/1408401689.db2.gz WAMUCOGLFQQQAN-UHFFFAOYSA-N 1 0 378.476 3.185 20 30 GGEDRO C=C(C)CNC(=S)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000063794274 1408413445 /nfs/dbraw/zinc/41/34/45/1408413445.db2.gz XRCJSERECNGIJM-UHFFFAOYSA-N 1 0 381.549 3.266 20 30 GGEDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)cc1 ZINC000063918309 1408445595 /nfs/dbraw/zinc/44/55/95/1408445595.db2.gz HFGNWINIIRMIGC-UHFFFAOYSA-N 1 0 383.517 3.110 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000064361639 1408540417 /nfs/dbraw/zinc/54/04/17/1408540417.db2.gz NLMNDVPWSDIVIZ-UHFFFAOYSA-N 1 0 384.505 3.308 20 30 GGEDRO Cc1nn(-c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2)c(C)c1Cl ZINC000064361825 1408541096 /nfs/dbraw/zinc/54/10/96/1408541096.db2.gz LNHXEDPRGWUPIY-UHFFFAOYSA-N 1 0 387.915 3.450 20 30 GGEDRO Cn1cc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000064458147 1408558657 /nfs/dbraw/zinc/55/86/57/1408558657.db2.gz SDXOGEYJWDACFJ-UHFFFAOYSA-N 1 0 386.499 3.327 20 30 GGEDRO COc1ccc(C[NH2+]Cc2ccnc(-n3cccn3)c2)cc1OCCCC#N ZINC000064613924 1408586053 /nfs/dbraw/zinc/58/60/53/1408586053.db2.gz HPEIGSKRWRXYJL-UHFFFAOYSA-N 1 0 377.448 3.248 20 30 GGEDRO CCCOc1ncccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000064766719 1408610490 /nfs/dbraw/zinc/61/04/90/1408610490.db2.gz LZPMUKOMRZHADM-UHFFFAOYSA-N 1 0 395.507 3.015 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)CC1 ZINC000064898300 1408626655 /nfs/dbraw/zinc/62/66/55/1408626655.db2.gz JQJJUYSEJBDQIU-UHFFFAOYSA-N 1 0 391.471 3.231 20 30 GGEDRO C=CCc1cc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(OC)c1OC ZINC000065389098 1408664748 /nfs/dbraw/zinc/66/47/48/1408664748.db2.gz BAPPOXZWNMKVTJ-IBGZPJMESA-N 1 0 387.524 3.202 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000065512431 1408681779 /nfs/dbraw/zinc/68/17/79/1408681779.db2.gz FOCRLSKTLVZXST-HXUWFJFHSA-N 1 0 386.561 3.077 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000065785186 1408729265 /nfs/dbraw/zinc/72/92/65/1408729265.db2.gz FMNPYZRRMSYJAL-UHFFFAOYSA-N 1 0 387.487 3.007 20 30 GGEDRO CCOc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930222 1408755985 /nfs/dbraw/zinc/75/59/85/1408755985.db2.gz MBVMXZZFGKRUGN-UHFFFAOYSA-N 1 0 379.504 3.480 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(F)cc1Cl ZINC000065931108 1408756241 /nfs/dbraw/zinc/75/62/41/1408756241.db2.gz ZFYRMPCVIFZDMB-UHFFFAOYSA-N 1 0 389.858 3.320 20 30 GGEDRO CCC(=O)Nc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930382 1408756292 /nfs/dbraw/zinc/75/62/92/1408756292.db2.gz KWOYOSRIMGXJNN-UHFFFAOYSA-N 1 0 378.476 3.111 20 30 GGEDRO CCc1nc2ccccc2n1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065931026 1408756536 /nfs/dbraw/zinc/75/65/36/1408756536.db2.gz LXKHLXOWVPGAKL-UHFFFAOYSA-N 1 0 389.503 3.061 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000065931087 1408756546 /nfs/dbraw/zinc/75/65/46/1408756546.db2.gz KFODSUZMODFSBL-UHFFFAOYSA-N 1 0 390.487 3.111 20 30 GGEDRO C=CCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000065935926 1408757526 /nfs/dbraw/zinc/75/75/26/1408757526.db2.gz SOXONYLFTMDRIP-UHFFFAOYSA-N 1 0 395.908 3.477 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000065975231 1408765936 /nfs/dbraw/zinc/76/59/36/1408765936.db2.gz FYOSVFXYOZXHNK-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000065975274 1408765945 /nfs/dbraw/zinc/76/59/45/1408765945.db2.gz RQSMOOVSJPHOBY-UHFFFAOYSA-N 1 0 395.528 3.239 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(Cl)c1F ZINC000065975171 1408766074 /nfs/dbraw/zinc/76/60/74/1408766074.db2.gz IZWRRHFUZCKJEK-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000065992177 1408769492 /nfs/dbraw/zinc/76/94/92/1408769492.db2.gz AZDONXRZUHOSKG-UHFFFAOYSA-N 1 0 377.488 3.453 20 30 GGEDRO N#Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1OCC(F)(F)F ZINC000066159445 1408785547 /nfs/dbraw/zinc/78/55/47/1408785547.db2.gz GLCLDHJMGPKQGO-HNNXBMFYSA-N 1 0 382.386 3.201 20 30 GGEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000066390519 1408828575 /nfs/dbraw/zinc/82/85/75/1408828575.db2.gz FBPIYRMQOTUJLA-MRXNPFEDSA-N 1 0 381.451 3.362 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000066422758 1408835617 /nfs/dbraw/zinc/83/56/17/1408835617.db2.gz KMXBFMLGJQNCOK-KRWDZBQOSA-N 1 0 399.514 3.099 20 30 GGEDRO C[NH+](C)Cc1cccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 ZINC000066621282 1408870661 /nfs/dbraw/zinc/87/06/61/1408870661.db2.gz KYXZVVOZODNMOG-UHFFFAOYSA-N 1 0 378.476 3.414 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000066675725 1408882091 /nfs/dbraw/zinc/88/20/91/1408882091.db2.gz YLOBJGJRKNLHHR-UHFFFAOYSA-N 1 0 376.504 3.341 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000066676487 1408882823 /nfs/dbraw/zinc/88/28/23/1408882823.db2.gz PDDPSRKTBSSTNG-UHFFFAOYSA-N 1 0 377.488 3.308 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000066725640 1408894589 /nfs/dbraw/zinc/89/45/89/1408894589.db2.gz OMLCBWVZCTUDRB-UHFFFAOYSA-N 1 0 398.894 3.260 20 30 GGEDRO CN(C)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(C(F)(F)F)c1 ZINC000176549110 1428359913 /nfs/dbraw/zinc/35/99/13/1428359913.db2.gz KUJLOSPRYLWLKR-UHFFFAOYSA-N 1 0 385.434 3.471 20 30 GGEDRO Cc1cnc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000176553813 1428361847 /nfs/dbraw/zinc/36/18/47/1428361847.db2.gz IKAPPYIDVFTQTF-MRXNPFEDSA-N 1 0 383.521 3.302 20 30 GGEDRO CC(C)(C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)N1CCOCC1 ZINC000066904882 1408948061 /nfs/dbraw/zinc/94/80/61/1408948061.db2.gz QBAQPEXRDPUBDD-UHFFFAOYSA-N 1 0 379.504 3.338 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000066920097 1408951655 /nfs/dbraw/zinc/95/16/55/1408951655.db2.gz JOGCBCDWRINZJK-UHFFFAOYSA-N 1 0 383.517 3.091 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)CC1 ZINC000066921799 1408952418 /nfs/dbraw/zinc/95/24/18/1408952418.db2.gz VNKUQLOSDFBVOE-UHFFFAOYSA-N 1 0 393.310 3.184 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000066921972 1408952457 /nfs/dbraw/zinc/95/24/57/1408952457.db2.gz VXXGDJPQINNQEB-UHFFFAOYSA-N 1 0 389.337 3.332 20 30 GGEDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066953435 1408962487 /nfs/dbraw/zinc/96/24/87/1408962487.db2.gz ZYGBNAFZXGLICM-UHFFFAOYSA-N 1 0 382.464 3.440 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000066982280 1408970600 /nfs/dbraw/zinc/97/06/00/1408970600.db2.gz AOJKVXWDNUXJKR-HNNXBMFYSA-N 1 0 388.537 3.010 20 30 GGEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000066982024 1408970806 /nfs/dbraw/zinc/97/08/06/1408970806.db2.gz ZSSKPSVCHITQAB-MRXNPFEDSA-N 1 0 390.553 3.254 20 30 GGEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[NH+](C)C ZINC000066983712 1408971193 /nfs/dbraw/zinc/97/11/93/1408971193.db2.gz CPBHSPKLEJADNF-CVEARBPZSA-N 1 0 390.553 3.112 20 30 GGEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)[NH+](C)C ZINC000066983715 1408971286 /nfs/dbraw/zinc/97/12/86/1408971286.db2.gz CPBHSPKLEJADNF-HZPDHXFCSA-N 1 0 390.553 3.112 20 30 GGEDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066984551 1408971733 /nfs/dbraw/zinc/97/17/33/1408971733.db2.gz OIGIMHRFNUFXRM-UHFFFAOYSA-N 1 0 394.475 3.136 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000067010966 1408979569 /nfs/dbraw/zinc/97/95/69/1408979569.db2.gz CRUKTCXSDIGRJQ-UHFFFAOYSA-N 1 0 375.476 3.394 20 30 GGEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000067010303 1408979832 /nfs/dbraw/zinc/97/98/32/1408979832.db2.gz UTXPHMAVQXPWGT-INIZCTEOSA-N 1 0 387.505 3.128 20 30 GGEDRO CC1CC[NH+](C[C@H](O)CNCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000067122204 1409013455 /nfs/dbraw/zinc/01/34/55/1409013455.db2.gz VSUKRDFGPLTLAQ-HSZRJFAPSA-N 1 0 393.531 3.320 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000176577424 1428368937 /nfs/dbraw/zinc/36/89/37/1428368937.db2.gz MTPVFCINBXZUOW-PXNSSMCTSA-N 1 0 378.476 3.051 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)CC1 ZINC000067207155 1409042642 /nfs/dbraw/zinc/04/26/42/1409042642.db2.gz QHKAUEBCNZWEEQ-QZTJIDSGSA-N 1 0 395.547 3.397 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CC1 ZINC000067209438 1409043535 /nfs/dbraw/zinc/04/35/35/1409043535.db2.gz ZAEYXKKIWYTTGJ-UHFFFAOYSA-N 1 0 381.520 3.151 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NC2(c3cccc(Br)c3)CCC2)CC1 ZINC000067234065 1409049721 /nfs/dbraw/zinc/04/97/21/1409049721.db2.gz HOMFPEWFYQTBPK-UHFFFAOYSA-N 1 0 375.310 3.290 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000067233978 1409049908 /nfs/dbraw/zinc/04/99/08/1409049908.db2.gz JRJHAWYDMVDMCY-QFIPXVFZSA-N 1 0 380.463 3.385 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000067320436 1409071811 /nfs/dbraw/zinc/07/18/11/1409071811.db2.gz QUVYDGAHRJVMPC-OAQYLSRUSA-N 1 0 395.503 3.182 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000067370207 1409088929 /nfs/dbraw/zinc/08/89/29/1409088929.db2.gz FSEAWTRVCSJDND-UHFFFAOYSA-N 1 0 399.535 3.305 20 30 GGEDRO C[NH+]1CCN(c2ncccc2CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000067369868 1409088955 /nfs/dbraw/zinc/08/89/55/1409088955.db2.gz WFGYSLBNUUHXQW-UHFFFAOYSA-N 1 0 375.398 3.336 20 30 GGEDRO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000067404925 1409104560 /nfs/dbraw/zinc/10/45/60/1409104560.db2.gz CTAOQONCKHFEGE-FQEVSTJZSA-N 1 0 375.538 3.022 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000067491467 1409134576 /nfs/dbraw/zinc/13/45/76/1409134576.db2.gz IXYURECOEFWRMR-KRWDZBQOSA-N 1 0 387.505 3.061 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000067565852 1409166255 /nfs/dbraw/zinc/16/62/55/1409166255.db2.gz ATPPWNJKVIGEFS-FCHUYYIVSA-N 1 0 392.478 3.471 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000067577880 1409173743 /nfs/dbraw/zinc/17/37/43/1409173743.db2.gz FTPZEUSIYIDTGN-SJORKVTESA-N 1 0 390.553 3.153 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000067596174 1409180362 /nfs/dbraw/zinc/18/03/62/1409180362.db2.gz IMKGLJSMKXNDSO-UHFFFAOYSA-N 1 0 398.894 3.260 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000067709620 1409212775 /nfs/dbraw/zinc/21/27/75/1409212775.db2.gz XQYOHSZHPDOPKN-QZTJIDSGSA-N 1 0 381.520 3.088 20 30 GGEDRO N#CCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000067925889 1409256803 /nfs/dbraw/zinc/25/68/03/1409256803.db2.gz OMFJOTJETOPFAZ-IBGZPJMESA-N 1 0 381.451 3.256 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000067979044 1409268127 /nfs/dbraw/zinc/26/81/27/1409268127.db2.gz MHOUMIOTHRCBHT-KDURUIRLSA-N 1 0 392.499 3.238 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000068115654 1409306850 /nfs/dbraw/zinc/30/68/50/1409306850.db2.gz IODWVFMJGVKHDT-UHFFFAOYSA-N 1 0 393.462 3.039 20 30 GGEDRO COc1cccc(CO[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000068310222 1409360781 /nfs/dbraw/zinc/36/07/81/1409360781.db2.gz HIDXMVABGMHAMU-SFHVURJKSA-N 1 0 395.503 3.062 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCN(c2nccs2)CC1)C(C)C ZINC000068364058 1409380842 /nfs/dbraw/zinc/38/08/42/1409380842.db2.gz OVCWUSPUKUAJIK-SFHVURJKSA-N 1 0 391.585 3.063 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000068466356 1409410883 /nfs/dbraw/zinc/41/08/83/1409410883.db2.gz MGYIKIMSTFSFRR-UHFFFAOYSA-N 1 0 377.532 3.305 20 30 GGEDRO CC(=O)N(C)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000068559117 1409439269 /nfs/dbraw/zinc/43/92/69/1409439269.db2.gz OOSCKDXXUIXDIJ-UHFFFAOYSA-N 1 0 393.491 3.137 20 30 GGEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000176687489 1428407458 /nfs/dbraw/zinc/40/74/58/1428407458.db2.gz SOOCQIWRPITNKB-QMMMGPOBSA-N 1 0 387.242 3.251 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NC2CCOCC2)[n+]2cccc(C)c2)cc1 ZINC000068866448 1409511081 /nfs/dbraw/zinc/51/10/81/1409511081.db2.gz MZTCYWKCSPDXNJ-UHFFFAOYSA-O 1 0 399.536 3.389 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC2CCOCC2)cc1 ZINC000068866391 1409511128 /nfs/dbraw/zinc/51/11/28/1409511128.db2.gz IRGBDRXHVZFYHT-UHFFFAOYSA-O 1 0 395.548 3.479 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNS(=O)(=O)CCCCC#N)C1 ZINC000068881531 1409514888 /nfs/dbraw/zinc/51/48/88/1409514888.db2.gz JTKGAPHPGXJSGY-HDICACEKSA-N 1 0 377.554 3.278 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)CCCCC#N ZINC000068904504 1409520787 /nfs/dbraw/zinc/52/07/87/1409520787.db2.gz IAZNBGSQRAJREC-UHFFFAOYSA-N 1 0 391.459 3.093 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC)c1OC ZINC000068991264 1409538074 /nfs/dbraw/zinc/53/80/74/1409538074.db2.gz QXDZYZWALNPPEK-KRWDZBQOSA-N 1 0 399.466 3.482 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2)c(F)c1 ZINC000068991081 1409538115 /nfs/dbraw/zinc/53/81/15/1409538115.db2.gz JUPIHYHQPFRGSE-SFHVURJKSA-N 1 0 376.439 3.037 20 30 GGEDRO COCCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000068991545 1409538466 /nfs/dbraw/zinc/53/84/66/1409538466.db2.gz DRHJUQAYOCOKQB-LJQANCHMSA-N 1 0 383.467 3.481 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1OCCCC#N ZINC000068992239 1409538521 /nfs/dbraw/zinc/53/85/21/1409538521.db2.gz ULCXSKCLYHCNSE-LJQANCHMSA-N 1 0 379.460 3.273 20 30 GGEDRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068991425 1409538555 /nfs/dbraw/zinc/53/85/55/1409538555.db2.gz RGWISPHBEVEKCX-QGZVFWFLSA-N 1 0 399.466 3.482 20 30 GGEDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2cccnc2)n1 ZINC000068991579 1409538612 /nfs/dbraw/zinc/53/86/12/1409538612.db2.gz CGTILUMFOKWITH-IBGZPJMESA-N 1 0 390.466 3.251 20 30 GGEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc2c1OCCO2 ZINC000068991380 1409538678 /nfs/dbraw/zinc/53/86/78/1409538678.db2.gz DYEKRVBBEHIKMJ-QGZVFWFLSA-N 1 0 397.450 3.236 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016528 1409544432 /nfs/dbraw/zinc/54/44/32/1409544432.db2.gz JGOYWVDGZWVMRO-IBGZPJMESA-N 1 0 386.540 3.253 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c(OC)c1 ZINC000069030745 1409547401 /nfs/dbraw/zinc/54/74/01/1409547401.db2.gz ZVNQJEFNTXAPIJ-NHCUHLMSSA-N 1 0 388.552 3.114 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccc(N(C)C)cc1 ZINC000069047748 1409553557 /nfs/dbraw/zinc/55/35/57/1409553557.db2.gz BKDXUDOEZFVQGZ-UHFFFAOYSA-O 1 0 384.525 3.009 20 30 GGEDRO C=C(Br)CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000069119555 1409571011 /nfs/dbraw/zinc/57/10/11/1409571011.db2.gz YPUBKBSLIOMSGP-MRXNPFEDSA-N 1 0 382.302 3.040 20 30 GGEDRO C=CCc1cc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc(OC)c1OC ZINC000069179742 1409582259 /nfs/dbraw/zinc/58/22/59/1409582259.db2.gz XAJFJUYUYMSLON-HXUWFJFHSA-N 1 0 398.503 3.474 20 30 GGEDRO C=C(Br)CNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000069245517 1409591563 /nfs/dbraw/zinc/59/15/63/1409591563.db2.gz JZCXQNQHQLSDSY-HNNXBMFYSA-N 1 0 382.302 3.040 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000069246516 1409591708 /nfs/dbraw/zinc/59/17/08/1409591708.db2.gz QUTRJUDNJWFNFA-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO C=C(Br)CNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000069245516 1409591756 /nfs/dbraw/zinc/59/17/56/1409591756.db2.gz JZCXQNQHQLSDSY-OAHLLOKOSA-N 1 0 382.302 3.040 20 30 GGEDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2ccc(OCC#N)cc2)c1 ZINC000069274194 1409601620 /nfs/dbraw/zinc/60/16/20/1409601620.db2.gz NVRTUXHXZJIVIF-UHFFFAOYSA-N 1 0 380.492 3.430 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000069306777 1409611426 /nfs/dbraw/zinc/61/14/26/1409611426.db2.gz FSXPEZONOBJBOB-SFHVURJKSA-N 1 0 398.532 3.362 20 30 GGEDRO CC[NH+]1CCC(n2nccc2NC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000069898568 1409721477 /nfs/dbraw/zinc/72/14/77/1409721477.db2.gz DCAHAFWMQUTVAP-VMPITWQZSA-N 1 0 379.464 3.094 20 30 GGEDRO COc1ccc(C[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000070787660 1409775344 /nfs/dbraw/zinc/77/53/44/1409775344.db2.gz AQKFLMCSPCTWBF-VGSWGCGISA-N 1 0 395.503 3.338 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000176714989 1428429712 /nfs/dbraw/zinc/42/97/12/1428429712.db2.gz GGQICVPSTMDYFP-ACJLOTCBSA-N 1 0 394.500 3.424 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000070826429 1409784653 /nfs/dbraw/zinc/78/46/53/1409784653.db2.gz BVSQFEZDAOMKSM-UHFFFAOYSA-N 1 0 385.556 3.071 20 30 GGEDRO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3)cc2)CC1 ZINC000070956803 1409805929 /nfs/dbraw/zinc/80/59/29/1409805929.db2.gz BPDSYFRJCAMJKW-UHFFFAOYSA-N 1 0 390.487 3.045 20 30 GGEDRO Cc1nc(SCC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c(C#N)c(C)c1C ZINC000071027458 1409814376 /nfs/dbraw/zinc/81/43/76/1409814376.db2.gz VGTRFJASOZJWMV-UHFFFAOYSA-N 1 0 378.461 3.190 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176721564 1428433773 /nfs/dbraw/zinc/43/37/73/1428433773.db2.gz KKIIEPNPKNVVNY-PXNSSMCTSA-N 1 0 393.487 3.115 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176721525 1428434037 /nfs/dbraw/zinc/43/40/37/1428434037.db2.gz KKIIEPNPKNVVNY-YLJYHZDGSA-N 1 0 393.487 3.115 20 30 GGEDRO C[C@@H]1CCC[C@H](C)N1C(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000072073199 1409845530 /nfs/dbraw/zinc/84/55/30/1409845530.db2.gz POQJNVPXAMSIFU-HDICACEKSA-N 1 0 386.540 3.099 20 30 GGEDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)cc1 ZINC000072074062 1409845910 /nfs/dbraw/zinc/84/59/10/1409845910.db2.gz YATNBLMKOIUEQI-HXUWFJFHSA-N 1 0 383.517 3.057 20 30 GGEDRO CCN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@H](C)C#N ZINC000072076059 1409846240 /nfs/dbraw/zinc/84/62/40/1409846240.db2.gz ZJEBMCIDIRWYQF-APWZRJJASA-N 1 0 376.932 3.075 20 30 GGEDRO N#Cc1nccnc1NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000072082198 1409847007 /nfs/dbraw/zinc/84/70/07/1409847007.db2.gz LNIAQOLILGZPLY-UHFFFAOYSA-N 1 0 384.487 3.283 20 30 GGEDRO C=CCc1cc(CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)cc(OC)c1OC ZINC000073938199 1409867516 /nfs/dbraw/zinc/86/75/16/1409867516.db2.gz ZDGCFNZZTPEPAG-SFHVURJKSA-N 1 0 375.513 3.058 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000075835125 1409883178 /nfs/dbraw/zinc/88/31/78/1409883178.db2.gz YLVRAVUXTOTBCW-NRFANRHFSA-N 1 0 382.552 3.358 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000075835123 1409883325 /nfs/dbraw/zinc/88/33/25/1409883325.db2.gz YLVRAVUXTOTBCW-OAQYLSRUSA-N 1 0 382.552 3.358 20 30 GGEDRO CCC1(O)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000075858803 1409883892 /nfs/dbraw/zinc/88/38/92/1409883892.db2.gz UMWPXRRRQDIBGR-UHFFFAOYSA-N 1 0 375.538 3.454 20 30 GGEDRO COC(=O)[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000176732844 1428441069 /nfs/dbraw/zinc/44/10/69/1428441069.db2.gz HJNQZUAEQOAZFM-QFIPXVFZSA-N 1 0 377.488 3.274 20 30 GGEDRO CCCN1C(=O)C2(CCCCC2)NC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000078762715 1409935183 /nfs/dbraw/zinc/93/51/83/1409935183.db2.gz OVEMNPNYRHSWET-UHFFFAOYSA-N 1 0 380.536 3.395 20 30 GGEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H]1CC[C@H](SC)C1 ZINC000078947775 1409945767 /nfs/dbraw/zinc/94/57/67/1409945767.db2.gz GHYZKCIWDWKHJK-SJORKVTESA-N 1 0 392.569 3.168 20 30 GGEDRO COC1CC[NH+](CCNC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000079803816 1409989211 /nfs/dbraw/zinc/98/92/11/1409989211.db2.gz VKTKJGICACCISE-OAHLLOKOSA-N 1 0 376.526 3.313 20 30 GGEDRO C=CCc1cc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc(OC)c1OC ZINC000085364440 1410039597 /nfs/dbraw/zinc/03/95/97/1410039597.db2.gz ORCLHZTXIVYAEO-HNNXBMFYSA-N 1 0 377.529 3.208 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000085870303 1410044311 /nfs/dbraw/zinc/04/43/11/1410044311.db2.gz UPECJZOSVYGKGW-UHFFFAOYSA-N 1 0 375.513 3.005 20 30 GGEDRO C[C@H](O)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089929381 1410058898 /nfs/dbraw/zinc/05/88/98/1410058898.db2.gz ZGOIIBBVDFSFEB-GJZGRUSLSA-N 1 0 375.538 3.310 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000090226839 1410063262 /nfs/dbraw/zinc/06/32/62/1410063262.db2.gz NDAIJPQMRZMTKY-JOCHJYFZSA-N 1 0 376.504 3.317 20 30 GGEDRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000091792439 1410081166 /nfs/dbraw/zinc/08/11/66/1410081166.db2.gz XAGNBTJRCYDYMJ-UHFFFAOYSA-N 1 0 381.476 3.296 20 30 GGEDRO COc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc(OC)c1OC ZINC000091792528 1410081535 /nfs/dbraw/zinc/08/15/35/1410081535.db2.gz TWJOWEYGRVPINJ-UHFFFAOYSA-N 1 0 381.476 3.296 20 30 GGEDRO CC[N@H+](C)[C@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000092046513 1410101188 /nfs/dbraw/zinc/10/11/88/1410101188.db2.gz AYFMZYISFDTJSV-AOMIVXANSA-N 1 0 392.503 3.452 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092149450 1410113471 /nfs/dbraw/zinc/11/34/71/1410113471.db2.gz XALUZYCLPBZELW-QHGAOEGBSA-N 1 0 399.539 3.207 20 30 GGEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[NH+]1CCC(C)CC1 ZINC000092219928 1410121737 /nfs/dbraw/zinc/12/17/37/1410121737.db2.gz UGZXVTMEDTYZCH-QHGAOEGBSA-N 1 0 399.539 3.063 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)cc2cccnc21)C(C)C ZINC000092221786 1410123762 /nfs/dbraw/zinc/12/37/62/1410123762.db2.gz BBEJBTIQAALCRC-HXUWFJFHSA-N 1 0 394.519 3.297 20 30 GGEDRO CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000092364101 1410145555 /nfs/dbraw/zinc/14/55/55/1410145555.db2.gz LVKXUKGDRLLPNQ-UHFFFAOYSA-N 1 0 391.519 3.148 20 30 GGEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092407977 1410154907 /nfs/dbraw/zinc/15/49/07/1410154907.db2.gz ZMUANNUOSYSZJF-HDYDNRTBSA-N 1 0 399.539 3.017 20 30 GGEDRO C[NH+](C)CCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1CCCC1 ZINC000092422997 1410155593 /nfs/dbraw/zinc/15/55/93/1410155593.db2.gz GYUYCTSXYUKYSK-UHFFFAOYSA-N 1 0 399.539 3.159 20 30 GGEDRO N#Cc1ccc(OC2CCC(NC(=O)NCCC[NH2+]C3CCCCC3)CC2)nc1 ZINC000092423093 1410156041 /nfs/dbraw/zinc/15/60/41/1410156041.db2.gz WTCPVMONRNPGKE-UHFFFAOYSA-N 1 0 399.539 3.255 20 30 GGEDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000092585504 1410175105 /nfs/dbraw/zinc/17/51/05/1410175105.db2.gz UHLVHTTUMGJTJE-MRXNPFEDSA-N 1 0 387.505 3.210 20 30 GGEDRO C=CCc1cc(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc(OC)c1O ZINC000092665051 1410185103 /nfs/dbraw/zinc/18/51/03/1410185103.db2.gz XOLWQQAVDHNNTL-KDURUIRLSA-N 1 0 387.568 3.120 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000092665047 1410185234 /nfs/dbraw/zinc/18/52/34/1410185234.db2.gz OPXLAGCMOQIYIU-NHCUHLMSSA-N 1 0 384.568 3.360 20 30 GGEDRO C=CCOc1ccc(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1OC ZINC000092665458 1410185358 /nfs/dbraw/zinc/18/53/58/1410185358.db2.gz WNQNFBUDJJJAHH-BGYRXZFFSA-N 1 0 387.568 3.250 20 30 GGEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000092665043 1410185537 /nfs/dbraw/zinc/18/55/37/1410185537.db2.gz OPXLAGCMOQIYIU-SFTDATJTSA-N 1 0 384.568 3.360 20 30 GGEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092706031 1410191537 /nfs/dbraw/zinc/19/15/37/1410191537.db2.gz RNLHKJPAFCCUIK-LJQANCHMSA-N 1 0 393.535 3.448 20 30 GGEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000092853993 1410205232 /nfs/dbraw/zinc/20/52/32/1410205232.db2.gz NPGCXFNDBACIDS-UHFFFAOYSA-N 1 0 392.503 3.270 20 30 GGEDRO Cc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)ccc1-n1cncn1 ZINC000092854441 1410206151 /nfs/dbraw/zinc/20/61/51/1410206151.db2.gz SNMSMYUPBDQRMZ-UHFFFAOYSA-N 1 0 388.475 3.322 20 30 GGEDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)cc1 ZINC000092964436 1410212318 /nfs/dbraw/zinc/21/23/18/1410212318.db2.gz GKKMAMKZJONZKW-SFHVURJKSA-N 1 0 377.554 3.315 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1OCCCC#N ZINC000093134437 1410225516 /nfs/dbraw/zinc/22/55/16/1410225516.db2.gz FZHGZGRJIHXFAJ-SFHVURJKSA-N 1 0 395.507 3.295 20 30 GGEDRO C[N@H+](CCCO)C1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000093412929 1410243998 /nfs/dbraw/zinc/24/39/98/1410243998.db2.gz JGGZOMLARKBZIO-UHFFFAOYSA-N 1 0 393.531 3.416 20 30 GGEDRO COc1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1OCCCC#N ZINC000093455008 1410247153 /nfs/dbraw/zinc/24/71/53/1410247153.db2.gz AGOJFDJGRDAXQO-NRFANRHFSA-N 1 0 398.507 3.057 20 30 GGEDRO COCC[N@H+]1[C@H](C)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000093478757 1410248113 /nfs/dbraw/zinc/24/81/13/1410248113.db2.gz KZFSSTMIWLVLAJ-KDURUIRLSA-N 1 0 381.524 3.005 20 30 GGEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534368 1410250909 /nfs/dbraw/zinc/25/09/09/1410250909.db2.gz ZPFPIXAOBAGRCM-QGZVFWFLSA-N 1 0 381.436 3.359 20 30 GGEDRO C=CCc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000093534369 1410251272 /nfs/dbraw/zinc/25/12/72/1410251272.db2.gz WEADJEVCBWHFLD-INIZCTEOSA-N 1 0 384.436 3.119 20 30 GGEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534603 1410251776 /nfs/dbraw/zinc/25/17/76/1410251776.db2.gz GMBNIUIMGQIZIG-KRWDZBQOSA-N 1 0 380.452 3.026 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000093563532 1410253871 /nfs/dbraw/zinc/25/38/71/1410253871.db2.gz ADJSIQMRJHLHNI-HXUWFJFHSA-N 1 0 378.520 3.231 20 30 GGEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000093613291 1410256510 /nfs/dbraw/zinc/25/65/10/1410256510.db2.gz ADLGHRFKRUWGAF-NHCUHLMSSA-N 1 0 394.519 3.216 20 30 GGEDRO C=C(C)COc1cc(C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)ccc1OC ZINC000093614450 1410256965 /nfs/dbraw/zinc/25/69/65/1410256965.db2.gz MMBAYTSSVFKIAX-SFTDATJTSA-N 1 0 375.509 3.402 20 30 GGEDRO C=C(C)COc1cc(C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)ccc1OC ZINC000093614451 1410257174 /nfs/dbraw/zinc/25/71/74/1410257174.db2.gz MMBAYTSSVFKIAX-NHCUHLMSSA-N 1 0 375.509 3.402 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000093665263 1410258269 /nfs/dbraw/zinc/25/82/69/1410258269.db2.gz ZFMWRMYCGVWDGB-NRFANRHFSA-N 1 0 391.515 3.291 20 30 GGEDRO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cccc(OCCCC#N)c1 ZINC000093837799 1410272089 /nfs/dbraw/zinc/27/20/89/1410272089.db2.gz YYMRJJLZTWHKKO-UHFFFAOYSA-N 1 0 377.444 3.097 20 30 GGEDRO COc1cc(F)cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000094059144 1410300336 /nfs/dbraw/zinc/30/03/36/1410300336.db2.gz CKFNPJDWKTXWNB-UHFFFAOYSA-N 1 0 396.466 3.123 20 30 GGEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000097257941 1410360868 /nfs/dbraw/zinc/36/08/68/1410360868.db2.gz OWHIORIGLYOQKQ-CYBMUJFWSA-N 1 0 384.402 3.353 20 30 GGEDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(F)cc2C#N)[C@H](c2ccccc2)C1 ZINC000097473177 1410370342 /nfs/dbraw/zinc/37/03/42/1410370342.db2.gz HYSKFCOYMGECQS-NRFANRHFSA-N 1 0 395.482 3.198 20 30 GGEDRO C[NH+](C)CCn1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000097547929 1410375085 /nfs/dbraw/zinc/37/50/85/1410375085.db2.gz ZHHARPWXOOOPOV-UHFFFAOYSA-N 1 0 375.432 3.361 20 30 GGEDRO C[C@@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(=O)N1CCCCCC1 ZINC000097571474 1410378754 /nfs/dbraw/zinc/37/87/54/1410378754.db2.gz BBOOBEOYHFNVLA-GOSISDBHSA-N 1 0 386.540 3.101 20 30 GGEDRO Cc1ccc(NC(=O)CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000097604594 1410385116 /nfs/dbraw/zinc/38/51/16/1410385116.db2.gz BZALXKNTSQLVKA-LPYMAVHISA-N 1 0 387.867 3.474 20 30 GGEDRO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000176817068 1428480082 /nfs/dbraw/zinc/48/00/82/1428480082.db2.gz ALSZTNGXQJQQCL-FGZHOGPDSA-N 1 0 398.551 3.227 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000098027641 1410396686 /nfs/dbraw/zinc/39/66/86/1410396686.db2.gz XCCQFQVYCDHYLB-SFHVURJKSA-N 1 0 384.524 3.354 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000098028812 1410397440 /nfs/dbraw/zinc/39/74/40/1410397440.db2.gz MLQFVCUNCUHEQA-GOSISDBHSA-N 1 0 384.524 3.354 20 30 GGEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000176819443 1428481709 /nfs/dbraw/zinc/48/17/09/1428481709.db2.gz TUFWHOMJZSKBIX-HDICACEKSA-N 1 0 384.524 3.496 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NCC(F)(F)F)cc1 ZINC000101535018 1410453002 /nfs/dbraw/zinc/45/30/02/1410453002.db2.gz NEVJETJCGHLHFW-UHFFFAOYSA-O 1 0 398.386 3.281 20 30 GGEDRO CSc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554606 1410460870 /nfs/dbraw/zinc/46/08/70/1410460870.db2.gz YYTBIJUYLSNSJG-UHFFFAOYSA-N 1 0 380.517 3.431 20 30 GGEDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)cc1 ZINC000101563018 1410466974 /nfs/dbraw/zinc/46/69/74/1410466974.db2.gz NISYBHLGARLXCB-HXUWFJFHSA-N 1 0 383.517 3.057 20 30 GGEDRO N#Cc1ccccc1N1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000101609060 1410478242 /nfs/dbraw/zinc/47/82/42/1410478242.db2.gz ODWQJGPGHJLJLM-UHFFFAOYSA-N 1 0 395.551 3.044 20 30 GGEDRO C[C@@H](NC(=O)NCc1cccc(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000101784699 1410502256 /nfs/dbraw/zinc/50/22/56/1410502256.db2.gz JWYAEVLDTOTSOL-MRXNPFEDSA-N 1 0 395.482 3.010 20 30 GGEDRO CCn1cc(NC(=S)C(C(=O)c2ccccc2)[n+]2ccc(N(C)C)cc2)cn1 ZINC000101900581 1410515533 /nfs/dbraw/zinc/51/55/33/1410515533.db2.gz RLJPUBBSYRCALV-UHFFFAOYSA-O 1 0 394.524 3.307 20 30 GGEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cc1OC ZINC000101908352 1410516670 /nfs/dbraw/zinc/51/66/70/1410516670.db2.gz DCDUTKWBOUWNHE-AUSIDOKSSA-N 1 0 399.535 3.299 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000101909731 1410518410 /nfs/dbraw/zinc/51/84/10/1410518410.db2.gz ILSZTJWMCNYJBG-ROUUACIJSA-N 1 0 391.581 3.135 20 30 GGEDRO CCCC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000101913481 1410520041 /nfs/dbraw/zinc/52/00/41/1410520041.db2.gz CDSZECOOTYPQNC-OAHLLOKOSA-N 1 0 390.915 3.169 20 30 GGEDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000101913051 1410520503 /nfs/dbraw/zinc/52/05/03/1410520503.db2.gz SDSQMOAHPMYSCL-PMACEKPBSA-N 1 0 398.551 3.259 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000101918550 1410524539 /nfs/dbraw/zinc/52/45/39/1410524539.db2.gz MBJQCXUNSMYRBS-UHFFFAOYSA-N 1 0 394.450 3.377 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccco1 ZINC000102006183 1410542551 /nfs/dbraw/zinc/54/25/51/1410542551.db2.gz PYRPPJNOCOWZKR-HXUWFJFHSA-N 1 0 395.507 3.066 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccc(C(N)=O)cc2)cc1 ZINC000102387384 1410617951 /nfs/dbraw/zinc/61/79/51/1410617951.db2.gz DDJOUFISMBFQNB-UHFFFAOYSA-O 1 0 390.488 3.432 20 30 GGEDRO C[N@H+](CCCCc1ccccc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000102390589 1410618574 /nfs/dbraw/zinc/61/85/74/1410618574.db2.gz IJBUYLDIXUXNAO-UHFFFAOYSA-N 1 0 390.487 3.235 20 30 GGEDRO Cc1cccc([C@H]2CCC[N@@H+]2CN2CC(=O)N(Cc3ccccc3C#N)C2=O)c1 ZINC000102390969 1410619252 /nfs/dbraw/zinc/61/92/52/1410619252.db2.gz RLXKLHYEBOISFZ-OAQYLSRUSA-N 1 0 388.471 3.426 20 30 GGEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000102749901 1410723537 /nfs/dbraw/zinc/72/35/37/1410723537.db2.gz ZPNFWHFNOHFWMW-UHFFFAOYSA-N 1 0 388.427 3.088 20 30 GGEDRO COCCC[N@@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3cccc(C#N)c3)c2C1 ZINC000102779380 1410748786 /nfs/dbraw/zinc/74/87/86/1410748786.db2.gz URNSGVKYKOUZQT-MRXNPFEDSA-N 1 0 378.476 3.349 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)Cc1ccccc1 ZINC000102802789 1410767106 /nfs/dbraw/zinc/76/71/06/1410767106.db2.gz CIAOQGUACOHXRP-MRXNPFEDSA-N 1 0 388.418 3.454 20 30 GGEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000176884521 1428511596 /nfs/dbraw/zinc/51/15/96/1428511596.db2.gz BAZWDBCOVXKDAM-HNNXBMFYSA-N 1 0 397.500 3.031 20 30 GGEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000176884907 1428511725 /nfs/dbraw/zinc/51/17/25/1428511725.db2.gz YOAFAHGBZAGJQU-ZDUSSCGKSA-N 1 0 380.416 3.284 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000102837129 1410794053 /nfs/dbraw/zinc/79/40/53/1410794053.db2.gz NQNFLAJAGSRCMR-UHFFFAOYSA-N 1 0 375.856 3.336 20 30 GGEDRO C#CCCN1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)CC1 ZINC000102867370 1410802675 /nfs/dbraw/zinc/80/26/75/1410802675.db2.gz OKXAKNLMQWDFMS-UHFFFAOYSA-N 1 0 399.878 3.275 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CSc1ccc(C#N)cc1 ZINC000102977370 1410815929 /nfs/dbraw/zinc/81/59/29/1410815929.db2.gz XUZZOSBSTHBXGM-UHFFFAOYSA-N 1 0 380.517 3.349 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000103157941 1410833107 /nfs/dbraw/zinc/83/31/07/1410833107.db2.gz CWDKDXUCHTXODA-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C=CCn1c(Cc2ccccc2)nn(CN(C)CC2CC[NH+](C)CC2)c1=S ZINC000103461980 1410859978 /nfs/dbraw/zinc/85/99/78/1410859978.db2.gz GVXRVTLXQZNYES-UHFFFAOYSA-N 1 0 385.581 3.422 20 30 GGEDRO CC(C)(CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCCCC1 ZINC000103849729 1410877295 /nfs/dbraw/zinc/87/72/95/1410877295.db2.gz AFIQTVLPQFQJCQ-UHFFFAOYSA-N 1 0 384.524 3.376 20 30 GGEDRO CC[NH+]=C(NCc1ccccc1CN1CCCC1=O)N1CCc2ccccc21 ZINC000103903015 1410878539 /nfs/dbraw/zinc/87/85/39/1410878539.db2.gz XWOILMLTWZQOHJ-UHFFFAOYSA-N 1 0 376.504 3.337 20 30 GGEDRO NC(=NOCc1c(F)cccc1Cl)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000104054309 1410883190 /nfs/dbraw/zinc/88/31/90/1410883190.db2.gz IBUMXTAJMWYXLJ-UHFFFAOYSA-N 1 0 391.874 3.273 20 30 GGEDRO CC(C)c1cccc(NC(=[NH2+])NCC[C@@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000104162565 1410885884 /nfs/dbraw/zinc/88/58/84/1410885884.db2.gz IVQGOZHPVPJUHN-QGZVFWFLSA-N 1 0 383.418 3.110 20 30 GGEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)N2CCOCC2)o1 ZINC000104158540 1410885956 /nfs/dbraw/zinc/88/59/56/1410885956.db2.gz BTYQKFDJHDNICG-IBGZPJMESA-N 1 0 386.496 3.175 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(N3CCCCCC3)nc2)cc1OC ZINC000104163719 1410886074 /nfs/dbraw/zinc/88/60/74/1410886074.db2.gz JMCXPFOUEMNNBQ-UHFFFAOYSA-N 1 0 397.523 3.084 20 30 GGEDRO Cc1ccc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1C ZINC000104179874 1410886268 /nfs/dbraw/zinc/88/62/68/1410886268.db2.gz BIHKLXJAEQTQFN-UHFFFAOYSA-N 1 0 388.537 3.307 20 30 GGEDRO CCCC(=O)Nc1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1 ZINC000104170505 1410886309 /nfs/dbraw/zinc/88/63/09/1410886309.db2.gz BPUWIDNMRSURCB-UHFFFAOYSA-N 1 0 384.480 3.047 20 30 GGEDRO C[C@@H]1CN(Cc2cccc(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)c2)CCO1 ZINC000104180132 1410886340 /nfs/dbraw/zinc/88/63/40/1410886340.db2.gz JJNCFKAJWQUBQU-QGZVFWFLSA-N 1 0 378.520 3.323 20 30 GGEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000104173754 1410886346 /nfs/dbraw/zinc/88/63/46/1410886346.db2.gz MCKAVPZNOVORQJ-UHFFFAOYSA-N 1 0 390.503 3.163 20 30 GGEDRO [NH2+]=C(NCC1CCC1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000104192088 1410886520 /nfs/dbraw/zinc/88/65/20/1410886520.db2.gz MVEJRGVFUMAONW-UHFFFAOYSA-N 1 0 380.330 3.202 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)c1 ZINC000104963055 1411004712 /nfs/dbraw/zinc/00/47/12/1411004712.db2.gz VIHIZVOZLPVMJN-KRWDZBQOSA-N 1 0 386.879 3.495 20 30 GGEDRO N#Cc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1OCC(F)(F)F ZINC000104999348 1411010837 /nfs/dbraw/zinc/01/08/37/1411010837.db2.gz RYRVKMVDZRLUNW-HNNXBMFYSA-N 1 0 382.386 3.201 20 30 GGEDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000105022519 1411016361 /nfs/dbraw/zinc/01/63/61/1411016361.db2.gz SSCRAEPZSUQTSH-UHFFFAOYSA-N 1 0 382.464 3.392 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2C)C(C)C ZINC000105052478 1411022176 /nfs/dbraw/zinc/02/21/76/1411022176.db2.gz BTNIIQZPWHNPJC-FQEVSTJZSA-N 1 0 384.524 3.416 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)s1 ZINC000176969927 1428534609 /nfs/dbraw/zinc/53/46/09/1428534609.db2.gz NEQCJEYWEDTBMA-OAHLLOKOSA-N 1 0 381.379 3.413 20 30 GGEDRO C[N@H+](CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1CCCC1 ZINC000105294005 1411051055 /nfs/dbraw/zinc/05/10/55/1411051055.db2.gz KKEUKPDBDDTDOF-UHFFFAOYSA-N 1 0 384.402 3.495 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000105356303 1411058325 /nfs/dbraw/zinc/05/83/25/1411058325.db2.gz NYNLZTKJDNWPCK-IMQYADFFSA-N 1 0 378.419 3.375 20 30 GGEDRO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000105578678 1411087059 /nfs/dbraw/zinc/08/70/59/1411087059.db2.gz ISOVRUGUIQLSHH-URFJDIBFSA-N 1 0 396.579 3.395 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 ZINC000105970343 1411136332 /nfs/dbraw/zinc/13/63/32/1411136332.db2.gz JMPWWBTWZUXMIP-UHFFFAOYSA-N 1 0 394.446 3.433 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000106035495 1411154098 /nfs/dbraw/zinc/15/40/98/1411154098.db2.gz CBPKBJOOOUUJEJ-UHFFFAOYSA-N 1 0 386.477 3.489 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(CSc3nccn3C)c2)CC1 ZINC000106035539 1411154215 /nfs/dbraw/zinc/15/42/15/1411154215.db2.gz ONFWEYGLWYNTDA-UHFFFAOYSA-N 1 0 384.549 3.483 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)CC1 ZINC000106035786 1411154418 /nfs/dbraw/zinc/15/44/18/1411154418.db2.gz FGOIYFHWYFCKAT-HNNXBMFYSA-N 1 0 375.538 3.282 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000106034867 1411154439 /nfs/dbraw/zinc/15/44/39/1411154439.db2.gz ZTTGCAIAXLJDEH-UHFFFAOYSA-N 1 0 386.471 3.273 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(C)c2NC(=O)c2ccncc2)CC1 ZINC000106034101 1411155261 /nfs/dbraw/zinc/15/52/61/1411155261.db2.gz XDLFRHHRIDCEOQ-UHFFFAOYSA-N 1 0 392.503 3.413 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1 ZINC000106037903 1411156028 /nfs/dbraw/zinc/15/60/28/1411156028.db2.gz OUXIRFJJNDNFML-UHFFFAOYSA-N 1 0 399.922 3.320 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nccn2-c2ccccc2C)CC1 ZINC000106039160 1411156373 /nfs/dbraw/zinc/15/63/73/1411156373.db2.gz WIEKZXKZWARHIY-UHFFFAOYSA-N 1 0 384.549 3.430 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000106036680 1411156649 /nfs/dbraw/zinc/15/66/49/1411156649.db2.gz DQWISXKHLHQXMV-UHFFFAOYSA-N 1 0 397.475 3.067 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)CC1 ZINC000106040252 1411157656 /nfs/dbraw/zinc/15/76/56/1411157656.db2.gz HHGJYIRUQYPTHJ-OAHLLOKOSA-N 1 0 393.528 3.043 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(CCCCC)c(=O)c3ccccc32)CC1 ZINC000106040406 1411157750 /nfs/dbraw/zinc/15/77/50/1411157750.db2.gz QTYUGXZDWBSYCJ-UHFFFAOYSA-N 1 0 396.535 3.357 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)CC1 ZINC000106039961 1411157770 /nfs/dbraw/zinc/15/77/70/1411157770.db2.gz FZXHMYPQABTEDV-FQEVSTJZSA-N 1 0 387.524 3.094 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)CC1 ZINC000106252910 1411184885 /nfs/dbraw/zinc/18/48/85/1411184885.db2.gz HCIRLBFUTYDCEU-UHFFFAOYSA-N 1 0 380.496 3.053 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000106255146 1411185028 /nfs/dbraw/zinc/18/50/28/1411185028.db2.gz CUOMCJNNCDYVTG-UHFFFAOYSA-N 1 0 398.551 3.152 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OCCC)c(OC)c2)CC1 ZINC000106259687 1411185724 /nfs/dbraw/zinc/18/57/24/1411185724.db2.gz WEICITVZLFTNMG-UHFFFAOYSA-N 1 0 375.513 3.324 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)CC1 ZINC000106260958 1411186262 /nfs/dbraw/zinc/18/62/62/1411186262.db2.gz MTCHPSGKJGOQJQ-QGZVFWFLSA-N 1 0 386.540 3.055 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2cn(-c3ccccc3)nc2C)CC1 ZINC000106264849 1411187727 /nfs/dbraw/zinc/18/77/27/1411187727.db2.gz OYFMZBTVQLSOPZ-UHFFFAOYSA-N 1 0 395.551 3.453 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000106275215 1411188833 /nfs/dbraw/zinc/18/88/33/1411188833.db2.gz DEEPTDXAVLHRGF-LJQANCHMSA-N 1 0 377.916 3.463 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)CC1 ZINC000106324337 1411195302 /nfs/dbraw/zinc/19/53/02/1411195302.db2.gz KFYUXHWREAZUDG-UHFFFAOYSA-N 1 0 393.553 3.172 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000106335662 1411197203 /nfs/dbraw/zinc/19/72/03/1411197203.db2.gz BLOGWMFXVYWDOS-DLBZAZTESA-N 1 0 398.429 3.022 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000106341203 1411198675 /nfs/dbraw/zinc/19/86/75/1411198675.db2.gz MTVSTGQTBLWVNA-GOSISDBHSA-N 1 0 377.554 3.479 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCCC)c(Cl)c2)CC1 ZINC000106348988 1411201006 /nfs/dbraw/zinc/20/10/06/1411201006.db2.gz QLUMRVURBXIBJV-UHFFFAOYSA-N 1 0 393.915 3.224 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000106349294 1411201766 /nfs/dbraw/zinc/20/17/66/1411201766.db2.gz LZEAJNRHVUYZKK-UHFFFAOYSA-N 1 0 389.499 3.353 20 30 GGEDRO CC[NH+]1CCN([C@H]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C2)CC1 ZINC000106479613 1411224539 /nfs/dbraw/zinc/22/45/39/1411224539.db2.gz IEXXSVCLNAEXCF-HNNXBMFYSA-N 1 0 387.890 3.115 20 30 GGEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106524442 1411231310 /nfs/dbraw/zinc/23/13/10/1411231310.db2.gz HLLVUAOSKYJINF-QGZVFWFLSA-N 1 0 379.426 3.373 20 30 GGEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(C#N)cs2)CC1 ZINC000177009568 1428552397 /nfs/dbraw/zinc/55/23/97/1428552397.db2.gz OWPFGDMOPCXKGG-AWEZNQCLSA-N 1 0 386.496 3.392 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000106752585 1411294515 /nfs/dbraw/zinc/29/45/15/1411294515.db2.gz RDLVJIGPKYOXKQ-UHFFFAOYSA-N 1 0 397.450 3.330 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(OC(F)F)c1 ZINC000107113063 1411342274 /nfs/dbraw/zinc/34/22/74/1411342274.db2.gz KIZJKNPHAQNLRF-UHFFFAOYSA-N 1 0 387.430 3.293 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)CCCC)cc2)CC1 ZINC000107401293 1411372898 /nfs/dbraw/zinc/37/28/98/1411372898.db2.gz YMWMJWPGLZIMJZ-UHFFFAOYSA-N 1 0 386.540 3.018 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)nc1 ZINC000107453157 1411379064 /nfs/dbraw/zinc/37/90/64/1411379064.db2.gz GUWCAIAKCQEMSH-UHFFFAOYSA-N 1 0 377.448 3.020 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)nc1 ZINC000107469643 1411381229 /nfs/dbraw/zinc/38/12/29/1411381229.db2.gz YGTYVKNPRGYQTN-UHFFFAOYSA-N 1 0 377.448 3.020 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000107709280 1411399898 /nfs/dbraw/zinc/39/98/98/1411399898.db2.gz BOTMYYGOXWZNON-ZFWWWQNUSA-N 1 0 386.521 3.478 20 30 GGEDRO CCOc1ccc(-c2noc(CO[NH+]=C(N)c3ccc(N(C)C)cc3)n2)cc1 ZINC000177052840 1428570449 /nfs/dbraw/zinc/57/04/49/1428570449.db2.gz IPNPCVSXOZSGGI-UHFFFAOYSA-N 1 0 381.436 3.038 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000108328533 1411474172 /nfs/dbraw/zinc/47/41/72/1411474172.db2.gz RMUQZDHOXNCATM-GOSISDBHSA-N 1 0 379.508 3.152 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108387235 1411485764 /nfs/dbraw/zinc/48/57/64/1411485764.db2.gz IPCKAFDGWGBZHW-JOCHJYFZSA-N 1 0 381.451 3.472 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108387238 1411485810 /nfs/dbraw/zinc/48/58/10/1411485810.db2.gz IPCKAFDGWGBZHW-QFIPXVFZSA-N 1 0 381.451 3.472 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000108493019 1411519895 /nfs/dbraw/zinc/51/98/95/1411519895.db2.gz MXRMWHNXEIAHRT-GMAHTHKFSA-N 1 0 398.478 3.077 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000108493017 1411520309 /nfs/dbraw/zinc/52/03/09/1411520309.db2.gz MXRMWHNXEIAHRT-GGAORHGYSA-N 1 0 398.478 3.077 20 30 GGEDRO C#CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000108522714 1411528431 /nfs/dbraw/zinc/52/84/31/1411528431.db2.gz PXQJKQUHBNBYMZ-UHFFFAOYSA-N 1 0 388.471 3.310 20 30 GGEDRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccccc2SCCC#N)c1 ZINC000108607240 1411550551 /nfs/dbraw/zinc/55/05/51/1411550551.db2.gz NQLDGSCYQLRJPK-UHFFFAOYSA-N 1 0 396.516 3.009 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C[N@@H+]1C1CC1 ZINC000177069936 1428576658 /nfs/dbraw/zinc/57/66/58/1428576658.db2.gz YZVWROGUSYPXJU-OXQOHEQNSA-N 1 0 375.472 3.492 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)CC1 ZINC000108706334 1411579780 /nfs/dbraw/zinc/57/97/80/1411579780.db2.gz DUNZUTKDSRYENK-UHFFFAOYSA-N 1 0 377.488 3.452 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[N@@H+]1C1CC1 ZINC000177076280 1428579975 /nfs/dbraw/zinc/57/99/75/1428579975.db2.gz BSIHSUPWMLTYFQ-OXQOHEQNSA-N 1 0 375.472 3.492 20 30 GGEDRO CC1CC[NH+](C[C@@H]2CCCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000177077506 1428580413 /nfs/dbraw/zinc/58/04/13/1428580413.db2.gz PPAIDKGDNMEGAC-PKOBYXMFSA-N 1 0 386.565 3.169 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000109028542 1411665817 /nfs/dbraw/zinc/66/58/17/1411665817.db2.gz NZYUNQJFCGXICQ-MRXNPFEDSA-N 1 0 389.569 3.228 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000109034366 1411667238 /nfs/dbraw/zinc/66/72/38/1411667238.db2.gz MNBJGTMPNDGTPV-INIZCTEOSA-N 1 0 388.537 3.012 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c(C)nn(C)c1Cl ZINC000109322269 1411740785 /nfs/dbraw/zinc/74/07/85/1411740785.db2.gz QPUSFMRVCNEWNN-UHFFFAOYSA-N 1 0 394.976 3.480 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1[N+](=O)[O-] ZINC000109351949 1411746626 /nfs/dbraw/zinc/74/66/26/1411746626.db2.gz XVDRMDFYFGUBEY-INIZCTEOSA-N 1 0 384.411 3.373 20 30 GGEDRO CC(C)[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccc(C#N)cc1 ZINC000109404863 1411755705 /nfs/dbraw/zinc/75/57/05/1411755705.db2.gz FFNNSHSXTHSZJY-UHFFFAOYSA-N 1 0 394.494 3.257 20 30 GGEDRO COc1ccc(C#N)cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000109554926 1411786108 /nfs/dbraw/zinc/78/61/08/1411786108.db2.gz WPMILUPVEKGDSU-UHFFFAOYSA-N 1 0 378.476 3.350 20 30 GGEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)CC1 ZINC000109580177 1411792401 /nfs/dbraw/zinc/79/24/01/1411792401.db2.gz OQBNANNNZVRVKA-UHFFFAOYSA-N 1 0 384.443 3.283 20 30 GGEDRO COc1cc(C#N)ccc1OC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000109739798 1411807244 /nfs/dbraw/zinc/80/72/44/1411807244.db2.gz JDGCKPUQXJOVTB-UHFFFAOYSA-N 1 0 379.460 3.075 20 30 GGEDRO CN(C(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)C1(C#N)CCCCC1 ZINC000109764167 1411808216 /nfs/dbraw/zinc/80/82/16/1411808216.db2.gz JEQGIZXAWSFAHC-UHFFFAOYSA-N 1 0 379.508 3.427 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]([NH+](C)C)C2)c1C#N ZINC000109810469 1411811859 /nfs/dbraw/zinc/81/18/59/1411811859.db2.gz ZAKWQRGNALBEMG-LJQANCHMSA-N 1 0 385.556 3.446 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000109854571 1411814719 /nfs/dbraw/zinc/81/47/19/1411814719.db2.gz BPNABOINNUHWOW-IBGZPJMESA-N 1 0 393.487 3.201 20 30 GGEDRO COc1cccc(NC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000110037272 1411826898 /nfs/dbraw/zinc/82/68/98/1411826898.db2.gz KFDPPSWCGZYBHN-UHFFFAOYSA-N 1 0 378.476 3.472 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[N@@H+]1C1CC1 ZINC000177138412 1428599812 /nfs/dbraw/zinc/59/98/12/1428599812.db2.gz MRPCVSNNBBDUDQ-UZLBHIALSA-N 1 0 375.472 3.492 20 30 GGEDRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000110180976 1411835731 /nfs/dbraw/zinc/83/57/31/1411835731.db2.gz KPGAMHQBKQGHAX-KKXDTOCCSA-N 1 0 389.883 3.346 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000110196295 1411836731 /nfs/dbraw/zinc/83/67/31/1411836731.db2.gz OSPRTGHXRHZXJE-HXUWFJFHSA-N 1 0 391.515 3.493 20 30 GGEDRO NC(=NOCC(=O)NCC1CCCCC1)c1ccccc1C[NH+]1CCCCC1 ZINC000110451671 1411851228 /nfs/dbraw/zinc/85/12/28/1411851228.db2.gz VBIAFVOEZOSCCA-UHFFFAOYSA-N 1 0 386.540 3.006 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110851601 1411873398 /nfs/dbraw/zinc/87/33/98/1411873398.db2.gz ZFTZZWGIEMVPAW-OAQYLSRUSA-N 1 0 392.503 3.040 20 30 GGEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000110975272 1411880206 /nfs/dbraw/zinc/88/02/06/1411880206.db2.gz QVIFCEGTJHCXFG-CQSZACIVSA-N 1 0 390.915 3.167 20 30 GGEDRO C[C@H](CN1CCOCC1)[N@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000111054402 1411884626 /nfs/dbraw/zinc/88/46/26/1411884626.db2.gz DSNKZRFKPUZLRC-HXUWFJFHSA-N 1 0 379.504 3.160 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(NC(N)=O)cc1)[n+]1cccc(C)c1 ZINC000111163178 1411892450 /nfs/dbraw/zinc/89/24/50/1411892450.db2.gz IXCSYMCTWUENFB-CQSZACIVSA-O 1 0 385.513 3.100 20 30 GGEDRO CCNC(=S)C(C(=O)c1ccc(NC(N)=O)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000111163057 1411892483 /nfs/dbraw/zinc/89/24/83/1411892483.db2.gz BXVNSSHXQVDKPM-UHFFFAOYSA-O 1 0 399.540 3.311 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000111243504 1411897486 /nfs/dbraw/zinc/89/74/86/1411897486.db2.gz JCANANWSTMKVSV-LJQANCHMSA-N 1 0 379.508 3.472 20 30 GGEDRO C[C@H](O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000111287024 1411899668 /nfs/dbraw/zinc/89/96/68/1411899668.db2.gz ZFKAZSVPVAUYBM-KGLIPLIRSA-N 1 0 375.538 3.166 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000111394173 1411941528 /nfs/dbraw/zinc/94/15/28/1411941528.db2.gz JZHAAWJGGGACCL-MRXNPFEDSA-N 1 0 377.444 3.143 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[N@@H+]1C1CC1 ZINC000177172400 1428613183 /nfs/dbraw/zinc/61/31/83/1428613183.db2.gz WJUOLDXOTIDXLS-UZLBHIALSA-N 1 0 375.472 3.492 20 30 GGEDRO COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000177174318 1428613643 /nfs/dbraw/zinc/61/36/43/1428613643.db2.gz RNDDJLCIVSMTCX-UNMCSNQZSA-N 1 0 377.488 3.226 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000111731484 1412019906 /nfs/dbraw/zinc/01/99/06/1412019906.db2.gz CFFHYAYQZSWVFC-QGZVFWFLSA-N 1 0 380.492 3.244 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000111766892 1412027128 /nfs/dbraw/zinc/02/71/28/1412027128.db2.gz OMSNRENJCQRZBC-KRWDZBQOSA-N 1 0 389.569 3.230 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000111766893 1412027432 /nfs/dbraw/zinc/02/74/32/1412027432.db2.gz OMSNRENJCQRZBC-QGZVFWFLSA-N 1 0 389.569 3.230 20 30 GGEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000111800623 1412031060 /nfs/dbraw/zinc/03/10/60/1412031060.db2.gz ZDTKCSHXOILVEJ-HXUWFJFHSA-N 1 0 383.492 3.362 20 30 GGEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000111825033 1412034918 /nfs/dbraw/zinc/03/49/18/1412034918.db2.gz ZCCDBFALZBZFHN-PPDQVPDSSA-N 1 0 382.508 3.032 20 30 GGEDRO C=CCc1cc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)cc(OC)c1OC ZINC000111846490 1412037243 /nfs/dbraw/zinc/03/72/43/1412037243.db2.gz VQUHVMJWHFLWSE-UHFFFAOYSA-N 1 0 375.513 3.104 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000111920048 1412054288 /nfs/dbraw/zinc/05/42/88/1412054288.db2.gz OMMNZQRUPKWBQV-UHFFFAOYSA-N 1 0 384.524 3.199 20 30 GGEDRO C[NH+](C)CCCOc1cccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000111996005 1412065582 /nfs/dbraw/zinc/06/55/82/1412065582.db2.gz OQRGFLAFSKLRGK-UHFFFAOYSA-N 1 0 393.896 3.343 20 30 GGEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)CCCCC1 ZINC000177187306 1428621218 /nfs/dbraw/zinc/62/12/18/1428621218.db2.gz NNBWKATUHMEOBZ-UHFFFAOYSA-N 1 0 390.553 3.336 20 30 GGEDRO N#CC1(C(=O)N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)CCOCC1 ZINC000112199289 1412092562 /nfs/dbraw/zinc/09/25/62/1412092562.db2.gz MOCLEFCPVHNIEK-UHFFFAOYSA-N 1 0 385.552 3.057 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1 ZINC000112429502 1412145548 /nfs/dbraw/zinc/14/55/48/1412145548.db2.gz KMVQZTADJAZFKE-UHFFFAOYSA-N 1 0 393.553 3.172 20 30 GGEDRO CCOC(=O)CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC1CC1 ZINC000112544423 1412166263 /nfs/dbraw/zinc/16/62/63/1412166263.db2.gz YWHFEGLKUIKKEG-UHFFFAOYSA-N 1 0 389.521 3.102 20 30 GGEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000112543125 1412166288 /nfs/dbraw/zinc/16/62/88/1412166288.db2.gz DHFIPOKYWQKRBC-HSZRJFAPSA-N 1 0 389.499 3.439 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000112585943 1412172533 /nfs/dbraw/zinc/17/25/33/1412172533.db2.gz HTQAMGBWGHXBOV-IBGZPJMESA-N 1 0 396.878 3.278 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)CC(C)C ZINC000112915457 1412238417 /nfs/dbraw/zinc/23/84/17/1412238417.db2.gz WSJZBYSQGZYVDY-LJQANCHMSA-N 1 0 398.555 3.023 20 30 GGEDRO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000112976273 1412249166 /nfs/dbraw/zinc/24/91/66/1412249166.db2.gz KEACAWGTKNCSSB-QGZVFWFLSA-N 1 0 388.475 3.272 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCC(=O)NCc2ccccc2)c(-c2ccccc2)n1 ZINC000113331503 1412294018 /nfs/dbraw/zinc/29/40/18/1412294018.db2.gz OUYMWLIPASFKJV-UHFFFAOYSA-N 1 0 387.487 3.260 20 30 GGEDRO C#CCOc1ccc(C[NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)cc1 ZINC000113331584 1412294087 /nfs/dbraw/zinc/29/40/87/1412294087.db2.gz ZTGSMOOBEGHGIV-UHFFFAOYSA-N 1 0 392.499 3.031 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)ccc1OC ZINC000113348028 1412295892 /nfs/dbraw/zinc/29/58/92/1412295892.db2.gz VIONTYMYWKEHRI-IBGZPJMESA-N 1 0 391.475 3.461 20 30 GGEDRO CN(C)C(=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCCC1 ZINC000113348527 1412295967 /nfs/dbraw/zinc/29/59/67/1412295967.db2.gz UXHCMQFUSIKZFF-UHFFFAOYSA-N 1 0 379.508 3.202 20 30 GGEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)ccc1OC ZINC000113348105 1412296474 /nfs/dbraw/zinc/29/64/74/1412296474.db2.gz ZXPCBIICRAZNEY-GOSISDBHSA-N 1 0 377.448 3.451 20 30 GGEDRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2cccc(OCC#N)c2)cc1 ZINC000113369675 1412298862 /nfs/dbraw/zinc/29/88/62/1412298862.db2.gz HIVGFIKNXAOAJL-UHFFFAOYSA-N 1 0 380.492 3.430 20 30 GGEDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cccc(OCC#N)c2)c1 ZINC000113376353 1412300456 /nfs/dbraw/zinc/30/04/56/1412300456.db2.gz WWXBPCBGHFMJHX-UHFFFAOYSA-N 1 0 380.492 3.430 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cccc(OCC#N)c1 ZINC000113410729 1412304628 /nfs/dbraw/zinc/30/46/28/1412304628.db2.gz OHAKUTFMADXBBC-UHFFFAOYSA-N 1 0 380.492 3.382 20 30 GGEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000113539715 1412313564 /nfs/dbraw/zinc/31/35/64/1412313564.db2.gz CABLVAOULNJENS-IBGZPJMESA-N 1 0 396.491 3.433 20 30 GGEDRO C[C@@H]([NH2+]C1(CNC(=O)NCc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000113590183 1412319122 /nfs/dbraw/zinc/31/91/22/1412319122.db2.gz KOAVWODDSNJKFB-GOSISDBHSA-N 1 0 392.503 3.257 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)NCC[N@H+](C)C2CCCC2)ccc1OC ZINC000113617220 1412322191 /nfs/dbraw/zinc/32/21/91/1412322191.db2.gz QIHJLTZPPZDNAH-SFHVURJKSA-N 1 0 388.512 3.050 20 30 GGEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000113646087 1412328610 /nfs/dbraw/zinc/32/86/10/1412328610.db2.gz OOFLXCCEVYQILG-MRXNPFEDSA-N 1 0 388.537 3.012 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113901355 1412347948 /nfs/dbraw/zinc/34/79/48/1412347948.db2.gz DWHLQVGHMHDRTF-HKUYNNGSSA-N 1 0 385.508 3.059 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000113930414 1412353830 /nfs/dbraw/zinc/35/38/30/1412353830.db2.gz ZWVBWYMKAIOSMW-IBGZPJMESA-N 1 0 394.471 3.128 20 30 GGEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000113939975 1412356120 /nfs/dbraw/zinc/35/61/20/1412356120.db2.gz UXHWIZXATGGWFF-UHFFFAOYSA-N 1 0 393.890 3.330 20 30 GGEDRO CN(C)C1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCOCC1 ZINC000113960077 1412359420 /nfs/dbraw/zinc/35/94/20/1412359420.db2.gz MRCJGSMUGYHJCE-UHFFFAOYSA-N 1 0 379.504 3.338 20 30 GGEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000113966577 1412359986 /nfs/dbraw/zinc/35/99/86/1412359986.db2.gz KWKNHLTUZNFNDJ-OAQYLSRUSA-N 1 0 392.503 3.225 20 30 GGEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000113967979 1412360295 /nfs/dbraw/zinc/36/02/95/1412360295.db2.gz ABPUDRGJXMSVNY-FQEVSTJZSA-N 1 0 380.492 3.429 20 30 GGEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000113980994 1412363399 /nfs/dbraw/zinc/36/33/99/1412363399.db2.gz OZPDCKSCHSNDHX-TZIWHRDSSA-N 1 0 380.492 3.470 20 30 GGEDRO CC(C)c1nccn1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000114163980 1412386012 /nfs/dbraw/zinc/38/60/12/1412386012.db2.gz KZSYKEHAUVCNPV-UHFFFAOYSA-N 1 0 379.508 3.003 20 30 GGEDRO N#CCCN(C(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000114194056 1412392961 /nfs/dbraw/zinc/39/29/61/1412392961.db2.gz FJWAXEHYZFWQAM-QFIPXVFZSA-N 1 0 377.488 3.305 20 30 GGEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)CC(C)(C)O ZINC000114204654 1412393820 /nfs/dbraw/zinc/39/38/20/1412393820.db2.gz AHIITOUNSWYXQS-UHFFFAOYSA-N 1 0 386.471 3.136 20 30 GGEDRO Cc1sc(NC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000177242477 1428647709 /nfs/dbraw/zinc/64/77/09/1428647709.db2.gz OKDDEKNAPQTZAU-UHFFFAOYSA-N 1 0 382.533 3.383 20 30 GGEDRO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)N(C)CCC#N)CCCCC2)cc1OC ZINC000114501880 1412447227 /nfs/dbraw/zinc/44/72/27/1412447227.db2.gz JAAYWJBZDDDQTO-KRWDZBQOSA-N 1 0 387.524 3.256 20 30 GGEDRO C[NH+](C)CCn1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)n1 ZINC000114637520 1412483201 /nfs/dbraw/zinc/48/32/01/1412483201.db2.gz PLUPYESFRNMZPR-UHFFFAOYSA-N 1 0 389.459 3.148 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114642702 1412483708 /nfs/dbraw/zinc/48/37/08/1412483708.db2.gz MVVZQDGOAFUPGU-NRFANRHFSA-N 1 0 393.535 3.127 20 30 GGEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000114685474 1412497750 /nfs/dbraw/zinc/49/77/50/1412497750.db2.gz UYTVNWJCOOMOKW-NRFANRHFSA-N 1 0 375.472 3.448 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000114739406 1412515338 /nfs/dbraw/zinc/51/53/38/1412515338.db2.gz PLAKYYNXUAKACZ-UHFFFAOYSA-N 1 0 397.544 3.399 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114741022 1412515434 /nfs/dbraw/zinc/51/54/34/1412515434.db2.gz SYQRXHILTKEXOV-UHFFFAOYSA-N 1 0 383.517 3.152 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000114741063 1412515522 /nfs/dbraw/zinc/51/55/22/1412515522.db2.gz QBTZKXMGHKTHOY-HKUYNNGSSA-N 1 0 375.538 3.142 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000114747453 1412516801 /nfs/dbraw/zinc/51/68/01/1412516801.db2.gz NMSNLFRUFYHBEE-CVEARBPZSA-N 1 0 376.460 3.363 20 30 GGEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000114747831 1412516812 /nfs/dbraw/zinc/51/68/12/1412516812.db2.gz AGJFVMBASIKODB-DNVCBOLYSA-N 1 0 379.460 3.340 20 30 GGEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000114747833 1412517187 /nfs/dbraw/zinc/51/71/87/1412517187.db2.gz AGJFVMBASIKODB-HNAYVOBHSA-N 1 0 379.460 3.340 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114790983 1412525681 /nfs/dbraw/zinc/52/56/81/1412525681.db2.gz JHFVLDOVTHUBBC-HXUWFJFHSA-N 1 0 378.476 3.053 20 30 GGEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)c2)c1 ZINC000115320988 1412647921 /nfs/dbraw/zinc/64/79/21/1412647921.db2.gz MKZGBVQUKATZBZ-UHFFFAOYSA-N 1 0 398.466 3.495 20 30 GGEDRO N#Cc1cccc(OCc2cccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c2)c1 ZINC000115341339 1412652902 /nfs/dbraw/zinc/65/29/02/1412652902.db2.gz FBKOYQNLCJNYAV-LJQANCHMSA-N 1 0 375.472 3.351 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000115520414 1412700056 /nfs/dbraw/zinc/70/00/56/1412700056.db2.gz MOUWGSQUIJSNQP-UHFFFAOYSA-N 1 0 382.420 3.330 20 30 GGEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115539786 1412703497 /nfs/dbraw/zinc/70/34/97/1412703497.db2.gz MFSCJTNGGIBNPD-OAQYLSRUSA-N 1 0 391.450 3.178 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115569828 1412714953 /nfs/dbraw/zinc/71/49/53/1412714953.db2.gz WTTOJKDKHGYABW-HXUWFJFHSA-N 1 0 376.460 3.014 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CN[C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597145 1412725252 /nfs/dbraw/zinc/72/52/52/1412725252.db2.gz CKICFBRSHNIYBE-PNCHPQGNSA-N 1 0 390.531 3.352 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597066 1412725534 /nfs/dbraw/zinc/72/55/34/1412725534.db2.gz OYJYFWAQGDGYFP-VGSWGCGISA-N 1 0 376.504 3.249 20 30 GGEDRO CC1CC[NH+](Cc2ccccc2CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115597034 1412725952 /nfs/dbraw/zinc/72/59/52/1412725952.db2.gz QFIBAEYCTIYRPJ-QFIPXVFZSA-N 1 0 376.504 3.106 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597068 1412726221 /nfs/dbraw/zinc/72/62/21/1412726221.db2.gz OYJYFWAQGDGYFP-JTSKRJEESA-N 1 0 376.504 3.249 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000115749287 1412776954 /nfs/dbraw/zinc/77/69/54/1412776954.db2.gz KSYQGVHVSPDEGB-RDTXWAMCSA-N 1 0 378.904 3.470 20 30 GGEDRO Cc1ccccc1NC(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000115972352 1412818986 /nfs/dbraw/zinc/81/89/86/1412818986.db2.gz MUDIBAIHACWNDH-UHFFFAOYSA-N 1 0 380.492 3.257 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCc2ccccc2CC1 ZINC000116301489 1412848502 /nfs/dbraw/zinc/84/85/02/1412848502.db2.gz OKUOIMFUIMVCEQ-GOSISDBHSA-N 1 0 377.488 3.431 20 30 GGEDRO Cc1ccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000116555830 1412876597 /nfs/dbraw/zinc/87/65/97/1412876597.db2.gz KDUNOZDTSMBBMK-UHFFFAOYSA-N 1 0 376.504 3.327 20 30 GGEDRO COc1cccc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C2CCC(O)CC2)c1 ZINC000116645247 1412891260 /nfs/dbraw/zinc/89/12/60/1412891260.db2.gz WBZVASLEQGDGJJ-UHFFFAOYSA-N 1 0 399.535 3.143 20 30 GGEDRO N#C[C@@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000116748522 1412914917 /nfs/dbraw/zinc/91/49/17/1412914917.db2.gz YQXSRVSGWMMJNM-OAQYLSRUSA-N 1 0 380.467 3.109 20 30 GGEDRO Cc1oc(NC(=O)CN2CCC[N@H+](Cc3ccccc3C)CC2)c(C#N)c1C ZINC000116758946 1412917293 /nfs/dbraw/zinc/91/72/93/1412917293.db2.gz YXPDOIOAHARFDG-UHFFFAOYSA-N 1 0 380.492 3.223 20 30 GGEDRO Cc1ccc(OC2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)cc1 ZINC000116994286 1412974699 /nfs/dbraw/zinc/97/46/99/1412974699.db2.gz INCYXEAZJYZEJF-FQEVSTJZSA-N 1 0 380.488 3.344 20 30 GGEDRO CS[C@@H]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000117507325 1413044535 /nfs/dbraw/zinc/04/45/35/1413044535.db2.gz KBUGIGMHMUSFLK-VQTJNVASSA-N 1 0 386.565 3.450 20 30 GGEDRO C=CCc1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc(OC)c1OC ZINC000117625668 1413057664 /nfs/dbraw/zinc/05/76/64/1413057664.db2.gz IYWASEMKTFRSKV-UHFFFAOYSA-N 1 0 395.503 3.222 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccccc1F ZINC000117736797 1413073477 /nfs/dbraw/zinc/07/34/77/1413073477.db2.gz KYRVJJZFDKHNFC-UHFFFAOYSA-N 1 0 383.467 3.447 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 ZINC000118030753 1413099987 /nfs/dbraw/zinc/09/99/87/1413099987.db2.gz XLQRIWCWMCQHTK-SFHVURJKSA-N 1 0 386.540 3.242 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCS[C@@H](C)[C@H]2C)c1=S ZINC000118383397 1413157586 /nfs/dbraw/zinc/15/75/86/1413157586.db2.gz KXGMJIGNFGXARH-SJORKVTESA-N 1 0 395.642 3.412 20 30 GGEDRO CCOC(=O)c1ccc(N2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)nc1 ZINC000118395535 1413158660 /nfs/dbraw/zinc/15/86/60/1413158660.db2.gz WXJSJIIOYSDACG-KRWDZBQOSA-N 1 0 378.476 3.403 20 30 GGEDRO C[C@H](SCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000118445514 1413161341 /nfs/dbraw/zinc/16/13/41/1413161341.db2.gz ZALUYEVQRPHRNC-KRWDZBQOSA-N 1 0 380.517 3.486 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000118481733 1413165231 /nfs/dbraw/zinc/16/52/31/1413165231.db2.gz QKZNZKWQWGMTDL-QGZVFWFLSA-N 1 0 386.323 3.367 20 30 GGEDRO N#Cc1ccccc1Sc1ccccc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000118722420 1413209963 /nfs/dbraw/zinc/20/99/63/1413209963.db2.gz SJAXQMKKCVPJFU-UHFFFAOYSA-N 1 0 395.528 3.286 20 30 GGEDRO CN(CC[NH+]1CCCC1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000118808660 1413227714 /nfs/dbraw/zinc/22/77/14/1413227714.db2.gz NDZIQABLPMJVJA-UHFFFAOYSA-N 1 0 391.475 3.370 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(NS(=O)(=O)CCC)cc2)CC1 ZINC000118889514 1413260950 /nfs/dbraw/zinc/26/09/50/1413260950.db2.gz ABZIBXHNKPIGEX-UHFFFAOYSA-N 1 0 394.541 3.000 20 30 GGEDRO Cc1cc(NC(=O)COc2ccccc2C#N)ccc1OCC[NH+]1CCCC1 ZINC000119138219 1413352041 /nfs/dbraw/zinc/35/20/41/1413352041.db2.gz ATZPTXDKXMXGAY-UHFFFAOYSA-N 1 0 379.460 3.359 20 30 GGEDRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000177411005 1428725027 /nfs/dbraw/zinc/72/50/27/1428725027.db2.gz YONHBMWOYNAZDJ-DJJJIMSYSA-N 1 0 385.851 3.290 20 30 GGEDRO N#CC1(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CCC1 ZINC000119304307 1413405339 /nfs/dbraw/zinc/40/53/39/1413405339.db2.gz USNRTLQFDOLXLY-UHFFFAOYSA-N 1 0 375.476 3.036 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000119349985 1413420172 /nfs/dbraw/zinc/42/01/72/1413420172.db2.gz QHKDDGWWCRERKK-SFHVURJKSA-N 1 0 397.544 3.410 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000119368006 1413426507 /nfs/dbraw/zinc/42/65/07/1413426507.db2.gz ATDOHSKRUOHSQQ-GASCZTMLSA-N 1 0 399.441 3.376 20 30 GGEDRO C[C@H](Cc1cccs1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000119406937 1413436540 /nfs/dbraw/zinc/43/65/40/1413436540.db2.gz UNTCTTRDEWDYHU-QGZVFWFLSA-N 1 0 382.533 3.468 20 30 GGEDRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000177417150 1428727825 /nfs/dbraw/zinc/72/78/25/1428727825.db2.gz UCOYHKXCCVVLOE-DJJJIMSYSA-N 1 0 385.851 3.290 20 30 GGEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000119448308 1413450070 /nfs/dbraw/zinc/45/00/70/1413450070.db2.gz GWAHPIXBOIDPGC-MJGOQNOKSA-N 1 0 379.460 3.287 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1 ZINC000119555629 1413484407 /nfs/dbraw/zinc/48/44/07/1413484407.db2.gz LNQJEYBDDYADDX-UHFFFAOYSA-N 1 0 378.402 3.047 20 30 GGEDRO N#Cc1cccc(CS(=O)(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000119615110 1413504287 /nfs/dbraw/zinc/50/42/87/1413504287.db2.gz MZEMQSPAEXUFNB-UHFFFAOYSA-N 1 0 375.538 3.166 20 30 GGEDRO CC(C)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000119633470 1413510336 /nfs/dbraw/zinc/51/03/36/1413510336.db2.gz MZQDZKGSRWCBTF-QFIPXVFZSA-N 1 0 397.544 3.061 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000119702038 1413538037 /nfs/dbraw/zinc/53/80/37/1413538037.db2.gz OARCZZGRHXJZFI-HSZRJFAPSA-N 1 0 396.510 3.339 20 30 GGEDRO COc1ccc(C#N)cc1C[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000119876790 1413601861 /nfs/dbraw/zinc/60/18/61/1413601861.db2.gz NKERBVSYJUSDKR-MRXNPFEDSA-N 1 0 394.393 3.457 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177448077 1428741446 /nfs/dbraw/zinc/74/14/46/1428741446.db2.gz QLABLVVTDYOXFE-UHFFFAOYSA-N 1 0 385.508 3.249 20 30 GGEDRO COC(=O)[C@]1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000177450851 1428742247 /nfs/dbraw/zinc/74/22/47/1428742247.db2.gz ZNVHHOJUIDSSTK-HXUWFJFHSA-N 1 0 389.521 3.102 20 30 GGEDRO C[C@H]1C[C@@H](N(C)C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000119967379 1413635633 /nfs/dbraw/zinc/63/56/33/1413635633.db2.gz PBEZRUSPGVMYIZ-RXVVDRJESA-N 1 0 390.483 3.278 20 30 GGEDRO COc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1OCCCC#N ZINC000120004313 1413649568 /nfs/dbraw/zinc/64/95/68/1413649568.db2.gz FHFAWVLXDMCSKU-UHFFFAOYSA-N 1 0 388.489 3.071 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177455858 1428743770 /nfs/dbraw/zinc/74/37/70/1428743770.db2.gz MWLCURSAAFECGB-HKUYNNGSSA-N 1 0 392.565 3.311 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177455911 1428743905 /nfs/dbraw/zinc/74/39/05/1428743905.db2.gz MWLCURSAAFECGB-IEBWSBKVSA-N 1 0 392.565 3.311 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000120035521 1413662469 /nfs/dbraw/zinc/66/24/69/1413662469.db2.gz RYCATEJUBCWYJO-UHFFFAOYSA-N 1 0 391.903 3.166 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000120099843 1413687177 /nfs/dbraw/zinc/68/71/77/1413687177.db2.gz IUMWSCHSMHITQH-DLBZAZTESA-N 1 0 392.544 3.002 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000120100001 1413687425 /nfs/dbraw/zinc/68/74/25/1413687425.db2.gz IUMWSCHSMHITQH-IAGOWNOFSA-N 1 0 392.544 3.002 20 30 GGEDRO N#CCCCOc1cccc(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1 ZINC000120123784 1413696847 /nfs/dbraw/zinc/69/68/47/1413696847.db2.gz OXYWSYDSRDPBHF-JOCHJYFZSA-N 1 0 392.503 3.431 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000120174082 1413717597 /nfs/dbraw/zinc/71/75/97/1413717597.db2.gz QJKAUNZGYGLKMX-FQEVSTJZSA-N 1 0 399.922 3.301 20 30 GGEDRO Cc1cc(Oc2ncccn2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120239595 1413746469 /nfs/dbraw/zinc/74/64/69/1413746469.db2.gz NJRHBOQUWZQEGJ-UHFFFAOYSA-N 1 0 382.468 3.277 20 30 GGEDRO CN(C)c1cccc(C[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000120311095 1413779135 /nfs/dbraw/zinc/77/91/35/1413779135.db2.gz LIWGBHQKSPZCHG-IBGZPJMESA-N 1 0 385.471 3.422 20 30 GGEDRO CN(C)c1cccc(C[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000120310937 1413779174 /nfs/dbraw/zinc/77/91/74/1413779174.db2.gz LIWGBHQKSPZCHG-LJQANCHMSA-N 1 0 385.471 3.422 20 30 GGEDRO COc1ccc(C(F)(F)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000120317431 1413783084 /nfs/dbraw/zinc/78/30/84/1413783084.db2.gz JWNPZKHXQCDIHL-UHFFFAOYSA-N 1 0 387.430 3.249 20 30 GGEDRO CN(C)c1ccc(C(N)=[NH+]OCc2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000120363987 1413802917 /nfs/dbraw/zinc/80/29/17/1413802917.db2.gz ZOHXGRDWGBWKCT-UHFFFAOYSA-N 1 0 380.492 3.216 20 30 GGEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)ccc1OC ZINC000120389101 1413807638 /nfs/dbraw/zinc/80/76/38/1413807638.db2.gz QUJJTZDMCREDAB-LJQANCHMSA-N 1 0 397.475 3.364 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(F)c(C#N)c2)C(C)C)cc1 ZINC000120415403 1413812731 /nfs/dbraw/zinc/81/27/31/1413812731.db2.gz RYUUFZNFDUPVCI-FQEVSTJZSA-N 1 0 399.466 3.306 20 30 GGEDRO C[C@@H](c1cccnc1)N1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000120421549 1413813847 /nfs/dbraw/zinc/81/38/47/1413813847.db2.gz JEQLDVMWULDDEK-KRWDZBQOSA-N 1 0 395.532 3.015 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c(C#N)c1C ZINC000120478430 1413826656 /nfs/dbraw/zinc/82/66/56/1413826656.db2.gz FLBTUTNAWMGPMQ-FQEVSTJZSA-N 1 0 383.448 3.465 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000120504623 1413832170 /nfs/dbraw/zinc/83/21/70/1413832170.db2.gz JSRVZJKWDOMYFP-UHFFFAOYSA-N 1 0 388.512 3.191 20 30 GGEDRO COc1cc(C#N)ccc1CN1CCC[N@H+](Cc2ccc(C#N)cc2OC)CC1 ZINC000120536490 1413838739 /nfs/dbraw/zinc/83/87/39/1413838739.db2.gz BPYHKQCQPNLYSX-UHFFFAOYSA-N 1 0 390.487 3.155 20 30 GGEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000120571904 1413846084 /nfs/dbraw/zinc/84/60/84/1413846084.db2.gz QYGJXLPMSWCWFI-WQUXRXDGSA-N 1 0 384.524 3.230 20 30 GGEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000120600675 1413852099 /nfs/dbraw/zinc/85/20/99/1413852099.db2.gz MNPYLFPMUXOTSS-ATZDWAIDSA-N 1 0 378.476 3.359 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000120638032 1413862799 /nfs/dbraw/zinc/86/27/99/1413862799.db2.gz MENXXOSVNIXMDS-UHFFFAOYSA-N 1 0 388.903 3.284 20 30 GGEDRO CC(C)n1cnnc1-c1ccccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120687383 1413874914 /nfs/dbraw/zinc/87/49/14/1413874914.db2.gz DUVOMEXFPANQTM-UHFFFAOYSA-N 1 0 383.500 3.225 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000177492845 1428767377 /nfs/dbraw/zinc/76/73/77/1428767377.db2.gz HRMOOKZAKSXWSB-DXPJPUQTSA-N 1 0 377.554 3.167 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000120850982 1413926431 /nfs/dbraw/zinc/92/64/31/1413926431.db2.gz PADOIZIZPGGXGI-WIYYLYMNSA-N 1 0 377.488 3.301 20 30 GGEDRO COc1cc(C#N)ccc1C[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000120948177 1413956511 /nfs/dbraw/zinc/95/65/11/1413956511.db2.gz KJFRQOYTOJRPDP-QGZVFWFLSA-N 1 0 394.393 3.457 20 30 GGEDRO COc1cc(C#N)ccc1C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000120984939 1413968398 /nfs/dbraw/zinc/96/83/98/1413968398.db2.gz UAKHUIZALBFAKN-INIZCTEOSA-N 1 0 394.393 3.457 20 30 GGEDRO Cc1ccc2c(c1)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CO2 ZINC000121026165 1413981008 /nfs/dbraw/zinc/98/10/08/1413981008.db2.gz YPZNSBOXYWGDIP-HXUWFJFHSA-N 1 0 378.476 3.074 20 30 GGEDRO C[C@H]1CN(Cc2ccccc2CNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000121151131 1414025999 /nfs/dbraw/zinc/02/59/99/1414025999.db2.gz MTVTWQQIUHSYKD-GJZGRUSLSA-N 1 0 399.441 3.376 20 30 GGEDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000121177073 1414034505 /nfs/dbraw/zinc/03/45/05/1414034505.db2.gz RJABYTWNCWSBNJ-UHFFFAOYSA-N 1 0 381.476 3.369 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000121178531 1414035262 /nfs/dbraw/zinc/03/52/62/1414035262.db2.gz AEQBKNYQPBFNCR-JOCHJYFZSA-N 1 0 385.552 3.499 20 30 GGEDRO C=CCN(C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000121206238 1414043734 /nfs/dbraw/zinc/04/37/34/1414043734.db2.gz ZLMPREMTRZGXCT-UHFFFAOYSA-N 1 0 378.520 3.065 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@H](C)c3ccsc3)CC2)CC1 ZINC000121248171 1414058282 /nfs/dbraw/zinc/05/82/82/1414058282.db2.gz RQVBCKJEXBUFJG-QGZVFWFLSA-N 1 0 376.570 3.177 20 30 GGEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000121261591 1414063217 /nfs/dbraw/zinc/06/32/17/1414063217.db2.gz RFCUIZRWCBWMNF-UHFFFAOYSA-N 1 0 390.915 3.121 20 30 GGEDRO CC(C)C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@H](O)c1ccc(F)cc1 ZINC000121284584 1414071524 /nfs/dbraw/zinc/07/15/24/1414071524.db2.gz WOOSCFMSHZRPBY-KRWDZBQOSA-N 1 0 375.469 3.389 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000121315990 1414081403 /nfs/dbraw/zinc/08/14/03/1414081403.db2.gz XQLRAIPBJFCXDR-RBUKOAKNSA-N 1 0 385.508 3.207 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000121316141 1414081617 /nfs/dbraw/zinc/08/16/17/1414081617.db2.gz XQLRAIPBJFCXDR-MOPGFXCFSA-N 1 0 385.508 3.207 20 30 GGEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000121320489 1414082398 /nfs/dbraw/zinc/08/23/98/1414082398.db2.gz YSOPDJBLRIMJOJ-INIZCTEOSA-N 1 0 384.867 3.466 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000121340740 1414088252 /nfs/dbraw/zinc/08/82/52/1414088252.db2.gz DVXQAYDZTNOQTK-SFHVURJKSA-N 1 0 392.507 3.084 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000121341264 1414088288 /nfs/dbraw/zinc/08/82/88/1414088288.db2.gz KJMGNYFPKVBPLW-GOSISDBHSA-N 1 0 392.507 3.084 20 30 GGEDRO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000121375591 1414099322 /nfs/dbraw/zinc/09/93/22/1414099322.db2.gz PBEBOTXGPIIMDO-LBPRGKRZSA-N 1 0 399.886 3.116 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000121498280 1414151649 /nfs/dbraw/zinc/15/16/49/1414151649.db2.gz GNRDRRUHDSZTLZ-FQEVSTJZSA-N 1 0 388.475 3.108 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl ZINC000121549715 1414172694 /nfs/dbraw/zinc/17/26/94/1414172694.db2.gz RWOLEVUKWQOHAH-INIZCTEOSA-N 1 0 388.899 3.428 20 30 GGEDRO Cc1oc(NC(=O)CN(C)C2CC[NH+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000121624748 1414204589 /nfs/dbraw/zinc/20/45/89/1414204589.db2.gz VFYUIAUWCVCPEX-UHFFFAOYSA-N 1 0 380.492 3.303 20 30 GGEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000121625156 1414204800 /nfs/dbraw/zinc/20/48/00/1414204800.db2.gz BRVGUBWOCGKNSP-QHCPKHFHSA-N 1 0 393.531 3.089 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000121635846 1414207779 /nfs/dbraw/zinc/20/77/79/1414207779.db2.gz OQOAZQBABRKMDE-GOSISDBHSA-N 1 0 391.556 3.180 20 30 GGEDRO CCC[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@@H+]1CCOC ZINC000121696280 1414226889 /nfs/dbraw/zinc/22/68/89/1414226889.db2.gz CVMBVHQWMHSWGA-LJQANCHMSA-N 1 0 396.535 3.170 20 30 GGEDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000121696973 1414227674 /nfs/dbraw/zinc/22/76/74/1414227674.db2.gz HLEGRJPIWAWRKG-UHFFFAOYSA-N 1 0 398.429 3.096 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1nnn(-c2cccc3cnccc32)c1C ZINC000121714916 1414233768 /nfs/dbraw/zinc/23/37/68/1414233768.db2.gz GWXYSBWMKKOBRI-INIZCTEOSA-N 1 0 391.475 3.014 20 30 GGEDRO N#Cc1ccsc1N1CC[C@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000121827298 1414270637 /nfs/dbraw/zinc/27/06/37/1414270637.db2.gz ZTUVVGLIKVGHEA-IBGZPJMESA-N 1 0 386.565 3.313 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccc(C)cc1 ZINC000121832431 1414272596 /nfs/dbraw/zinc/27/25/96/1414272596.db2.gz PURVMGNIXZKOTQ-UHFFFAOYSA-O 1 0 396.536 3.496 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(C)cc1 ZINC000121836123 1414273827 /nfs/dbraw/zinc/27/38/27/1414273827.db2.gz FJMRZJOEGHAFQY-UHFFFAOYSA-O 1 0 385.509 3.382 20 30 GGEDRO Cc1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C#N ZINC000121954363 1414322347 /nfs/dbraw/zinc/32/23/47/1414322347.db2.gz VRDFDNSQOYMOMX-KXBFYZLASA-N 1 0 389.546 3.290 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)N(C)[C@@H](C)CC#N)ccc1Cl ZINC000122001695 1414336560 /nfs/dbraw/zinc/33/65/60/1414336560.db2.gz NWKRYHLHHYHXRN-AWEZNQCLSA-N 1 0 393.919 3.177 20 30 GGEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000122080498 1414358145 /nfs/dbraw/zinc/35/81/45/1414358145.db2.gz UBOZWBQQJGAYIS-GOSISDBHSA-N 1 0 379.426 3.327 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc(C)cc1 ZINC000122082780 1414358532 /nfs/dbraw/zinc/35/85/32/1414358532.db2.gz KMWZWQOFGQJRDL-UHFFFAOYSA-O 1 0 381.880 3.250 20 30 GGEDRO CC(C)Oc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1C#N ZINC000122146573 1414373622 /nfs/dbraw/zinc/37/36/22/1414373622.db2.gz CHBUMEOBIMWZQS-UHFFFAOYSA-N 1 0 392.503 3.345 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)CC1 ZINC000122410911 1414450334 /nfs/dbraw/zinc/45/03/34/1414450334.db2.gz GRQCWMHPSMVKAH-UHFFFAOYSA-N 1 0 381.501 3.106 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CNc1ccc(C#N)cc1 ZINC000122456633 1414466584 /nfs/dbraw/zinc/46/65/84/1414466584.db2.gz PHGMZHRTHJDESB-ROUUACIJSA-N 1 0 376.504 3.243 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CNc1ccc(C#N)cc1 ZINC000122456892 1414467088 /nfs/dbraw/zinc/46/70/88/1414467088.db2.gz PHGMZHRTHJDESB-QZTJIDSGSA-N 1 0 376.504 3.243 20 30 GGEDRO C=C[C@@H](CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000122457054 1414467101 /nfs/dbraw/zinc/46/71/01/1414467101.db2.gz QMUVFSHTBKLTLB-IBGZPJMESA-N 1 0 385.552 3.089 20 30 GGEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c2)CC1 ZINC000122514137 1414487111 /nfs/dbraw/zinc/48/71/11/1414487111.db2.gz YWYLRAGIDWFFPY-GOSISDBHSA-N 1 0 392.503 3.495 20 30 GGEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2)CC1 ZINC000122514358 1414487709 /nfs/dbraw/zinc/48/77/09/1414487709.db2.gz YWYLRAGIDWFFPY-SFHVURJKSA-N 1 0 392.503 3.495 20 30 GGEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000177621304 1428813093 /nfs/dbraw/zinc/81/30/93/1428813093.db2.gz JPDOVPSEMDVPHL-JOCHJYFZSA-N 1 0 394.563 3.247 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)CC1 ZINC000177623833 1428814061 /nfs/dbraw/zinc/81/40/61/1428814061.db2.gz OIOJAFXEASGRDB-UHFFFAOYSA-N 1 0 395.547 3.264 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000122628447 1414522870 /nfs/dbraw/zinc/52/28/70/1414522870.db2.gz YQLRLXYEIMDBEK-KRWDZBQOSA-N 1 0 399.004 3.371 20 30 GGEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000122646130 1414528220 /nfs/dbraw/zinc/52/82/20/1414528220.db2.gz AAGMVEWIMGSXRF-SFTDATJTSA-N 1 0 378.476 3.268 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000122688938 1414539180 /nfs/dbraw/zinc/53/91/80/1414539180.db2.gz BRXGULJVFIWMEJ-KRWDZBQOSA-N 1 0 381.442 3.334 20 30 GGEDRO C#CCOc1ccccc1CNc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000122695997 1414541216 /nfs/dbraw/zinc/54/12/16/1414541216.db2.gz VRFCDTYCCBAZNA-UHFFFAOYSA-N 1 0 377.488 3.008 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)[nH]1 ZINC000122731284 1414551662 /nfs/dbraw/zinc/55/16/62/1414551662.db2.gz BJNXCNGJCCFSQW-UHFFFAOYSA-N 1 0 379.464 3.343 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000122760444 1414558393 /nfs/dbraw/zinc/55/83/93/1414558393.db2.gz UQIAUQCYIZCXRY-UHFFFAOYSA-N 1 0 386.414 3.111 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000122801792 1414568589 /nfs/dbraw/zinc/56/85/89/1414568589.db2.gz BQIYJXHBXNIPEF-UHFFFAOYSA-N 1 0 377.488 3.427 20 30 GGEDRO COCOc1ccc(OC)cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122831137 1414575937 /nfs/dbraw/zinc/57/59/37/1414575937.db2.gz GZJCDZOCPUJGAF-UHFFFAOYSA-N 1 0 395.503 3.257 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000122833553 1414576284 /nfs/dbraw/zinc/57/62/84/1414576284.db2.gz QRNCEPXIXFFADS-UHFFFAOYSA-N 1 0 390.531 3.103 20 30 GGEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000122963234 1414607527 /nfs/dbraw/zinc/60/75/27/1414607527.db2.gz FYNSMBNQQJZCDJ-QFIPXVFZSA-N 1 0 395.503 3.218 20 30 GGEDRO N#Cc1cc(F)c(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c(F)c1 ZINC000123041569 1414625538 /nfs/dbraw/zinc/62/55/38/1414625538.db2.gz SIVTZXMCXUHBCG-UHFFFAOYSA-N 1 0 398.457 3.169 20 30 GGEDRO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)cc(C)c1OCC(F)(F)F ZINC000123060530 1414630850 /nfs/dbraw/zinc/63/08/50/1414630850.db2.gz WASTWHXWKARDJP-HNNXBMFYSA-N 1 0 385.430 3.437 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000123078637 1414635724 /nfs/dbraw/zinc/63/57/24/1414635724.db2.gz XJZXDOMFWDJUNV-UHFFFAOYSA-N 1 0 376.504 3.431 20 30 GGEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000123082204 1414636555 /nfs/dbraw/zinc/63/65/55/1414636555.db2.gz YTYWDYNRFZHRKQ-FQEVSTJZSA-N 1 0 382.439 3.017 20 30 GGEDRO Cc1ccc(S(=O)(=O)C[C@H](C)NC(=[NH2+])Nc2ccc(OC(C)C)cc2)cc1 ZINC000123185288 1414663079 /nfs/dbraw/zinc/66/30/79/1414663079.db2.gz STMNFJDNEQWWMV-INIZCTEOSA-N 1 0 389.521 3.371 20 30 GGEDRO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000123189789 1414663797 /nfs/dbraw/zinc/66/37/97/1414663797.db2.gz NMYSFGULWHRGCR-UHFFFAOYSA-N 1 0 394.475 3.315 20 30 GGEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177665866 1428827456 /nfs/dbraw/zinc/82/74/56/1428827456.db2.gz RFPVEMOVISVPRK-AWEZNQCLSA-N 1 0 389.443 3.072 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000123267887 1414682831 /nfs/dbraw/zinc/68/28/31/1414682831.db2.gz DFAJDYFOBHOMBO-FQEVSTJZSA-N 1 0 380.467 3.461 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000123267613 1414683111 /nfs/dbraw/zinc/68/31/11/1414683111.db2.gz DFAJDYFOBHOMBO-HXUWFJFHSA-N 1 0 380.467 3.461 20 30 GGEDRO COCCC[N@H+](C)CCNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000123402721 1414718534 /nfs/dbraw/zinc/71/85/34/1414718534.db2.gz CSKPRCIJMIOFQA-UHFFFAOYSA-N 1 0 381.476 3.357 20 30 GGEDRO C=CCOc1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000123407185 1414720397 /nfs/dbraw/zinc/72/03/97/1414720397.db2.gz DXJRGSDYOOYLMV-UHFFFAOYSA-N 1 0 386.517 3.194 20 30 GGEDRO C=CCOc1cccc(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000123415451 1414723123 /nfs/dbraw/zinc/72/31/23/1414723123.db2.gz WFAWRZTXJSWUKV-UHFFFAOYSA-N 1 0 386.517 3.194 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000123446923 1414734612 /nfs/dbraw/zinc/73/46/12/1414734612.db2.gz FOZSOLBBCSUBRE-BBWFWOEESA-N 1 0 384.524 3.229 20 30 GGEDRO CCNS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccc([C@@H](C)CC)cc2)cc1 ZINC000123568255 1414776736 /nfs/dbraw/zinc/77/67/36/1414776736.db2.gz GKILMKBYQOJPMJ-HNNXBMFYSA-N 1 0 388.537 3.425 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCc2csc(-c3ccco3)n2)cc1OC ZINC000123609042 1414792859 /nfs/dbraw/zinc/79/28/59/1414792859.db2.gz JMPIBGXSRBCOHE-UHFFFAOYSA-N 1 0 386.477 3.067 20 30 GGEDRO C=CCc1cc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000123682737 1414809352 /nfs/dbraw/zinc/80/93/52/1414809352.db2.gz CAWKGNPUMMFGFW-IRXDYDNUSA-N 1 0 390.524 3.052 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NCCOC)cc1 ZINC000123691536 1414810681 /nfs/dbraw/zinc/81/06/81/1414810681.db2.gz RWTUGVXEBCFWRX-UHFFFAOYSA-O 1 0 377.917 3.365 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1cccc(CO)c1 ZINC000123697849 1414811409 /nfs/dbraw/zinc/81/14/09/1414811409.db2.gz MWEHTSQMBPFLQO-UHFFFAOYSA-O 1 0 375.901 3.224 20 30 GGEDRO C[N@@H+](Cc1ccc(C#N)cc1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000123721215 1414815279 /nfs/dbraw/zinc/81/52/79/1414815279.db2.gz RDAZXAKSLKROHL-UHFFFAOYSA-N 1 0 383.249 3.120 20 30 GGEDRO C[N@@H+](Cc1cccc(C#N)c1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000123720326 1414815454 /nfs/dbraw/zinc/81/54/54/1414815454.db2.gz WDPHHCUMKQGAGV-UHFFFAOYSA-N 1 0 383.249 3.120 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCc1ccc(C#N)cc1 ZINC000123732059 1414817152 /nfs/dbraw/zinc/81/71/52/1414817152.db2.gz QDOWLWFROKEMDL-QFIPXVFZSA-N 1 0 376.504 3.399 20 30 GGEDRO N#Cc1ccc(N2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c(F)c1 ZINC000177709102 1428839390 /nfs/dbraw/zinc/83/93/90/1428839390.db2.gz VSUUOGVNVWCEBA-SFHVURJKSA-N 1 0 384.499 3.001 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2cccc(S(N)(=O)=O)c2)c(O)c1 ZINC000123933321 1414852256 /nfs/dbraw/zinc/85/22/56/1414852256.db2.gz DDVIFEQISIUMMX-CNRHGSOZSA-N 1 0 375.494 3.066 20 30 GGEDRO CC(C)CC[N@H+](CCC#N)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124128881 1414891386 /nfs/dbraw/zinc/89/13/86/1414891386.db2.gz NMAAQPZXYHQDHP-UHFFFAOYSA-N 1 0 377.286 3.378 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124133785 1414892446 /nfs/dbraw/zinc/89/24/46/1414892446.db2.gz MRDWYRWAIVYTEB-HXUWFJFHSA-N 1 0 393.466 3.268 20 30 GGEDRO COc1ccc(C(=[NH2+])NOC=C(O)c2cc(C)n(Cc3ccco3)c2C)cc1 ZINC000177758053 1428851031 /nfs/dbraw/zinc/85/10/31/1428851031.db2.gz LIPIVDWNXUBBSH-UHFFFAOYSA-N 1 0 381.432 3.275 20 30 GGEDRO C=CCSc1ccccc1NC(=O)CN(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000124375080 1414951427 /nfs/dbraw/zinc/95/14/27/1414951427.db2.gz VNTIQTMLNBNASF-UHFFFAOYSA-N 1 0 391.581 3.193 20 30 GGEDRO C[C@H](C#N)Oc1ccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000124650478 1415013645 /nfs/dbraw/zinc/01/36/45/1415013645.db2.gz HRPGXLBJIPSXFR-OAHLLOKOSA-N 1 0 380.448 3.059 20 30 GGEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000124874795 1415064442 /nfs/dbraw/zinc/06/44/42/1415064442.db2.gz WKVXKIJOWWRFKF-HXUWFJFHSA-N 1 0 384.476 3.301 20 30 GGEDRO CC[NH+]=C(NCc1cccc(CN2CCCC2=O)c1)N1CCSC(C)(C)C1 ZINC000124994564 1415088243 /nfs/dbraw/zinc/08/82/43/1415088243.db2.gz QORUSQDREVNTLE-UHFFFAOYSA-N 1 0 388.581 3.102 20 30 GGEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000125018654 1415093073 /nfs/dbraw/zinc/09/30/73/1415093073.db2.gz HKKZJBQBCGVFKP-HOTGVXAUSA-N 1 0 378.542 3.417 20 30 GGEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000125019277 1415093079 /nfs/dbraw/zinc/09/30/79/1415093079.db2.gz HKKZJBQBCGVFKP-HZPDHXFCSA-N 1 0 378.542 3.417 20 30 GGEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)c1 ZINC000177822239 1428865261 /nfs/dbraw/zinc/86/52/61/1428865261.db2.gz PAMVHPOVFQSFAE-HNNXBMFYSA-N 1 0 389.546 3.050 20 30 GGEDRO COC(=O)[C@@H](Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)c1cccc(C#N)c1 ZINC000125056938 1415100745 /nfs/dbraw/zinc/10/07/45/1415100745.db2.gz APTAGLVZMJHQMB-QFIPXVFZSA-N 1 0 392.503 3.415 20 30 GGEDRO COC(=O)[C@H](Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)c1cccc(C#N)c1 ZINC000125057184 1415101166 /nfs/dbraw/zinc/10/11/66/1415101166.db2.gz APTAGLVZMJHQMB-JOCHJYFZSA-N 1 0 392.503 3.415 20 30 GGEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000125060380 1415101750 /nfs/dbraw/zinc/10/17/50/1415101750.db2.gz DEOVZXRUBWCNQP-UHFFFAOYSA-N 1 0 381.476 3.264 20 30 GGEDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)C(=O)NC3(C#N)CCCCC3)c2)CC1 ZINC000125059629 1415101771 /nfs/dbraw/zinc/10/17/71/1415101771.db2.gz LLKUKCURKRLFSB-LJQANCHMSA-N 1 0 397.567 3.360 20 30 GGEDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)C(=O)NC3(C#N)CCCCC3)c2)CC1 ZINC000125059371 1415101823 /nfs/dbraw/zinc/10/18/23/1415101823.db2.gz LLKUKCURKRLFSB-IBGZPJMESA-N 1 0 397.567 3.360 20 30 GGEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C)o1 ZINC000125100245 1415108438 /nfs/dbraw/zinc/10/84/38/1415108438.db2.gz QDGIEFYNOKXXNB-UHFFFAOYSA-N 1 0 387.505 3.487 20 30 GGEDRO CCOC(=O)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000125101472 1415109066 /nfs/dbraw/zinc/10/90/66/1415109066.db2.gz MZLSHPJJYAIZLG-UHFFFAOYSA-N 1 0 377.872 3.205 20 30 GGEDRO C[N@@H+]1CCC[C@@H]1CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N ZINC000125123593 1415114234 /nfs/dbraw/zinc/11/42/34/1415114234.db2.gz WQCCZGAUWHIFOT-MRXNPFEDSA-N 1 0 381.505 3.364 20 30 GGEDRO C=CCOc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000125154273 1415120385 /nfs/dbraw/zinc/12/03/85/1415120385.db2.gz HTRSYCHNUDYVSX-HXUWFJFHSA-N 1 0 380.488 3.138 20 30 GGEDRO CC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000125255440 1415143339 /nfs/dbraw/zinc/14/33/39/1415143339.db2.gz MMRLVIMGDGTIKH-IRXDYDNUSA-N 1 0 384.524 3.088 20 30 GGEDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000125286761 1415153183 /nfs/dbraw/zinc/15/31/83/1415153183.db2.gz BDORRROVACIZIH-QFIPXVFZSA-N 1 0 391.519 3.253 20 30 GGEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000125293371 1415156119 /nfs/dbraw/zinc/15/61/19/1415156119.db2.gz NMGIOLKZCHVDOR-SLFFLAALSA-N 1 0 398.551 3.339 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125372017 1415179624 /nfs/dbraw/zinc/17/96/24/1415179624.db2.gz QPSCTFONJBYFSB-GJZGRUSLSA-N 1 0 397.491 3.112 20 30 GGEDRO CC[NH+]1CCN(CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000177850015 1428872663 /nfs/dbraw/zinc/87/26/63/1428872663.db2.gz SQBFRXJVUZQSSK-UHFFFAOYSA-N 1 0 394.544 3.077 20 30 GGEDRO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125488034 1415212693 /nfs/dbraw/zinc/21/26/93/1415212693.db2.gz VVKYNRPWFMMJHT-GJZGRUSLSA-N 1 0 382.512 3.269 20 30 GGEDRO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125487517 1415212911 /nfs/dbraw/zinc/21/29/11/1415212911.db2.gz VVKYNRPWFMMJHT-HUUCEWRRSA-N 1 0 382.512 3.269 20 30 GGEDRO COc1ccc([C@@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)N2CCOCC2)cc1 ZINC000125519565 1415219641 /nfs/dbraw/zinc/21/96/41/1415219641.db2.gz YTORQMJZSSYGRF-SHSGKGFPSA-N 1 0 391.515 3.282 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000125656138 1415247468 /nfs/dbraw/zinc/24/74/68/1415247468.db2.gz NAFVITUTQVYFKH-UHFFFAOYSA-N 1 0 392.532 3.363 20 30 GGEDRO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000125799608 1415284300 /nfs/dbraw/zinc/28/43/00/1415284300.db2.gz MSPTXVORBLLBSD-SFHVURJKSA-N 1 0 388.515 3.135 20 30 GGEDRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 ZINC000177912387 1428889866 /nfs/dbraw/zinc/88/98/66/1428889866.db2.gz YFDSXHRKQMLRDK-UHFFFAOYSA-N 1 0 391.519 3.419 20 30 GGEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000177912288 1428890039 /nfs/dbraw/zinc/89/00/39/1428890039.db2.gz DURMFJTWCPYPKY-SFHVURJKSA-N 1 0 391.581 3.162 20 30 GGEDRO N#CCSc1ccccc1NC(=O)CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177941802 1428896227 /nfs/dbraw/zinc/89/62/27/1428896227.db2.gz XHGPXAKYDBXFDX-YQVWRLOYSA-N 1 0 384.549 3.047 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000125972662 1415326459 /nfs/dbraw/zinc/32/64/59/1415326459.db2.gz ZNLCYSRACIOPCJ-GOSISDBHSA-N 1 0 387.499 3.471 20 30 GGEDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000125993416 1415332060 /nfs/dbraw/zinc/33/20/60/1415332060.db2.gz SJAINJNRYVADCU-UHFFFAOYSA-N 1 0 391.924 3.354 20 30 GGEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000126051310 1415345553 /nfs/dbraw/zinc/34/55/53/1415345553.db2.gz HFZZPFCJLXJIGN-UTKZUKDTSA-N 1 0 396.466 3.264 20 30 GGEDRO COCc1cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc(C(C)(C)C)n1 ZINC000126183313 1415379050 /nfs/dbraw/zinc/37/90/50/1415379050.db2.gz LGLMGUGOUWDUHD-UHFFFAOYSA-N 1 0 381.524 3.360 20 30 GGEDRO CN(C(=O)CNc1ccc(C#N)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126389657 1415434583 /nfs/dbraw/zinc/43/45/83/1415434583.db2.gz CWIPKZSXSOAMEO-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000126419475 1415447420 /nfs/dbraw/zinc/44/74/20/1415447420.db2.gz ZCAGMJWRZFXITL-MRXNPFEDSA-N 1 0 394.475 3.136 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178007709 1428931983 /nfs/dbraw/zinc/93/19/83/1428931983.db2.gz PFDVETXDATXSIL-XHSDSOJGSA-N 1 0 388.537 3.008 20 30 GGEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126427161 1415450315 /nfs/dbraw/zinc/45/03/15/1415450315.db2.gz YUJVOVSZRLYEHI-WIYYLYMNSA-N 1 0 394.519 3.142 20 30 GGEDRO C#CCOc1ccccc1CNc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000126552410 1415488266 /nfs/dbraw/zinc/48/82/66/1415488266.db2.gz XQXJCGIHGOGIKB-UHFFFAOYSA-N 1 0 391.515 3.051 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000126612282 1415506940 /nfs/dbraw/zinc/50/69/40/1415506940.db2.gz YGPZLRLXKVNCCY-OAQYLSRUSA-N 1 0 392.503 3.389 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000178021565 1428941739 /nfs/dbraw/zinc/94/17/39/1428941739.db2.gz MKNZJASKRXONLY-SFHVURJKSA-N 1 0 384.524 3.306 20 30 GGEDRO CCc1nnc(Oc2ccc(C(=O)NCC[NH+](CC)CC)cc2)c(C#N)c1CC ZINC000126706937 1415532999 /nfs/dbraw/zinc/53/29/99/1415532999.db2.gz XLGHLAGZJMMDNU-UHFFFAOYSA-N 1 0 395.507 3.337 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000126750267 1415547283 /nfs/dbraw/zinc/54/72/83/1415547283.db2.gz FEEWETYTBPBPFJ-MRXNPFEDSA-N 1 0 393.528 3.363 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000126750507 1415547526 /nfs/dbraw/zinc/54/75/26/1415547526.db2.gz FEEWETYTBPBPFJ-INIZCTEOSA-N 1 0 393.528 3.363 20 30 GGEDRO C=CCC[C@@H](O)C[NH+]1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000178042312 1428953025 /nfs/dbraw/zinc/95/30/25/1428953025.db2.gz NLVYAAJSBBCYFA-LJQANCHMSA-N 1 0 387.549 3.263 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000178060068 1428962119 /nfs/dbraw/zinc/96/21/19/1428962119.db2.gz ARUYFZOKJTYFEW-IBGZPJMESA-N 1 0 390.487 3.029 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000126872048 1415591045 /nfs/dbraw/zinc/59/10/45/1415591045.db2.gz XJEABYLXPAUJRC-OAQYLSRUSA-N 1 0 379.545 3.180 20 30 GGEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000126953447 1415617229 /nfs/dbraw/zinc/61/72/29/1415617229.db2.gz SMPNZDBCJXYTKC-INIZCTEOSA-N 1 0 386.517 3.296 20 30 GGEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000127030181 1415643043 /nfs/dbraw/zinc/64/30/43/1415643043.db2.gz UNGGIYUGLYCPAS-GOSISDBHSA-N 1 0 379.460 3.288 20 30 GGEDRO COC1CC[NH+](CCNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000127074492 1415655289 /nfs/dbraw/zinc/65/52/89/1415655289.db2.gz MIEWMZNTCGBQQV-UHFFFAOYSA-N 1 0 393.487 3.500 20 30 GGEDRO C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000127197039 1415683664 /nfs/dbraw/zinc/68/36/64/1415683664.db2.gz TVNREPUSLQIIDB-QGZVFWFLSA-N 1 0 377.488 3.279 20 30 GGEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000127237348 1415698566 /nfs/dbraw/zinc/69/85/66/1415698566.db2.gz QQOVWHJESMKSGN-GJZGRUSLSA-N 1 0 391.462 3.188 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)ccc1OC ZINC000127275193 1415714166 /nfs/dbraw/zinc/71/41/66/1415714166.db2.gz QBBGLANEVOQZEZ-JOCHJYFZSA-N 1 0 396.531 3.159 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1Cc2ccccc2C1 ZINC000127295816 1415723887 /nfs/dbraw/zinc/72/38/87/1415723887.db2.gz PKIJIANAICZFED-UHFFFAOYSA-N 1 0 390.531 3.437 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000178115007 1428988223 /nfs/dbraw/zinc/98/82/23/1428988223.db2.gz QGHVLFQOWZKZKB-KRWDZBQOSA-N 1 0 393.572 3.426 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000178115017 1428988381 /nfs/dbraw/zinc/98/83/81/1428988381.db2.gz QGHVLFQOWZKZKB-QGZVFWFLSA-N 1 0 393.572 3.426 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1cccc(OCC#N)c1 ZINC000127477131 1415794866 /nfs/dbraw/zinc/79/48/66/1415794866.db2.gz NGIAMLKYPAWNRY-OALUTQOASA-N 1 0 391.515 3.404 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000127495398 1415800693 /nfs/dbraw/zinc/80/06/93/1415800693.db2.gz AKABTXBLZHKHRR-PXNSSMCTSA-N 1 0 392.503 3.287 20 30 GGEDRO C#CCCOc1ccc(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000127509352 1415802525 /nfs/dbraw/zinc/80/25/25/1415802525.db2.gz QLEDGAYWEVYRMA-NRFANRHFSA-N 1 0 391.515 3.398 20 30 GGEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]C3CC(C#N)(c4ccccc4)C3)C2)c1 ZINC000127510631 1415802917 /nfs/dbraw/zinc/80/29/17/1415802917.db2.gz NQGCFOZANNVWDI-MVBMGLOESA-N 1 0 377.488 3.496 20 30 GGEDRO C=CCc1cc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc(OC)c1OC ZINC000127515438 1415803670 /nfs/dbraw/zinc/80/36/70/1415803670.db2.gz BAPPOXZWNMKVTJ-LJQANCHMSA-N 1 0 387.524 3.202 20 30 GGEDRO C=CCc1cc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000127517182 1415803958 /nfs/dbraw/zinc/80/39/58/1415803958.db2.gz JPBQSYFLUFKOCL-MRXNPFEDSA-N 1 0 375.513 3.106 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000127527803 1415805147 /nfs/dbraw/zinc/80/51/47/1415805147.db2.gz LZCCTGSHSBSDPR-NQQADOFKSA-N 1 0 394.519 3.392 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(C#N)cc1 ZINC000127527589 1415805296 /nfs/dbraw/zinc/80/52/96/1415805296.db2.gz LZCCTGSHSBSDPR-DGJNVRSFSA-N 1 0 394.519 3.392 20 30 GGEDRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000127585352 1415814244 /nfs/dbraw/zinc/81/42/44/1415814244.db2.gz BEIQQOSNPMPGCW-KBPBESRZSA-N 1 0 380.448 3.203 20 30 GGEDRO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000127602083 1415817480 /nfs/dbraw/zinc/81/74/80/1415817480.db2.gz XBLURXOVCOCKSR-OWCLPIDISA-N 1 0 381.476 3.492 20 30 GGEDRO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000127601910 1415817532 /nfs/dbraw/zinc/81/75/32/1415817532.db2.gz XBLURXOVCOCKSR-HRCADAONSA-N 1 0 381.476 3.492 20 30 GGEDRO N#Cc1cccc(NC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000127862820 1415865211 /nfs/dbraw/zinc/86/52/11/1415865211.db2.gz WXICZVVEWQSSIW-UHFFFAOYSA-N 1 0 392.459 3.000 20 30 GGEDRO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000128025844 1415895509 /nfs/dbraw/zinc/89/55/09/1415895509.db2.gz VMRHRUULTBQRMZ-LJQANCHMSA-N 1 0 388.515 3.044 20 30 GGEDRO COc1ccc(C#N)cc1C[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000128043968 1415900087 /nfs/dbraw/zinc/90/00/87/1415900087.db2.gz XJHHKPBXFSJZMN-QGZVFWFLSA-N 1 0 394.393 3.457 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(OCc3cccs3)c2)c1C#N ZINC000128122282 1415918181 /nfs/dbraw/zinc/91/81/81/1415918181.db2.gz BESSJTFAARXEHM-UHFFFAOYSA-N 1 0 395.488 3.326 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2Sc2ccccc2)c1C#N ZINC000128156237 1415927644 /nfs/dbraw/zinc/92/76/44/1415927644.db2.gz FJNCZEFQZJBCJE-UHFFFAOYSA-N 1 0 392.488 3.232 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(-c3cccs3)nc2C)c1C#N ZINC000128209049 1415939363 /nfs/dbraw/zinc/93/93/63/1415939363.db2.gz KSVNFZSQKSNNGY-UHFFFAOYSA-N 1 0 386.506 3.179 20 30 GGEDRO C=CCNC(=O)c1ccc(NC[C@H](c2ccccc2OC)[NH+]2CCCC2)nc1 ZINC000178229301 1429024217 /nfs/dbraw/zinc/02/42/17/1429024217.db2.gz OUXFLZOIDSCTPA-LJQANCHMSA-N 1 0 380.492 3.255 20 30 GGEDRO Oc1ccc(Br)cc1/C=N/C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000128480090 1415996866 /nfs/dbraw/zinc/99/68/66/1415996866.db2.gz FGTAVAMEHNZQIK-URFUOSOHSA-N 1 0 381.314 3.342 20 30 GGEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000178257707 1429035847 /nfs/dbraw/zinc/03/58/47/1429035847.db2.gz HBJUMDXCCBYODN-OALUTQOASA-N 1 0 383.536 3.229 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000128680801 1416041632 /nfs/dbraw/zinc/04/16/32/1416041632.db2.gz PIOSJDIAFVNOJD-HKUYNNGSSA-N 1 0 386.879 3.299 20 30 GGEDRO C=CCC(CC=C)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000128686270 1416042729 /nfs/dbraw/zinc/04/27/29/1416042729.db2.gz KTPFKFJUBSYWHE-FQEVSTJZSA-N 1 0 382.552 3.211 20 30 GGEDRO C=CC[N@@H+](CC(=O)Nc1cc(-n2nnnc2C)ccc1F)CC1CCCCC1 ZINC000128750533 1416058150 /nfs/dbraw/zinc/05/81/50/1416058150.db2.gz XCAHZCZFOGQPJE-UHFFFAOYSA-N 1 0 386.475 3.117 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000128764050 1416062586 /nfs/dbraw/zinc/06/25/86/1416062586.db2.gz CZRUJNLVVMSNQI-UHFFFAOYSA-N 1 0 379.435 3.064 20 30 GGEDRO COc1ccc(NC(=[NH2+])NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000128886691 1416093446 /nfs/dbraw/zinc/09/34/46/1416093446.db2.gz FMMIEGPFGAWFDM-AWEZNQCLSA-N 1 0 397.397 3.172 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000128906191 1416098341 /nfs/dbraw/zinc/09/83/41/1416098341.db2.gz KCGXYKOLWNSLQR-KRWDZBQOSA-N 1 0 381.451 3.465 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC(C)C)cc1)[n+]1cccc(CO)c1 ZINC000128964361 1416114601 /nfs/dbraw/zinc/11/46/01/1416114601.db2.gz QSHZMZCMUIDKFE-UHFFFAOYSA-O 1 0 399.536 3.358 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000178412870 1429072626 /nfs/dbraw/zinc/07/26/26/1429072626.db2.gz NUJNOEHJQJNHMS-UHFFFAOYSA-N 1 0 390.487 3.108 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000129063382 1416136374 /nfs/dbraw/zinc/13/63/74/1416136374.db2.gz SHYVVMGJPRJAQI-GOSISDBHSA-N 1 0 377.488 3.449 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)CC1 ZINC000178383837 1429066305 /nfs/dbraw/zinc/06/63/05/1429066305.db2.gz MBTNCBZQUIJEAW-RTWAWAEBSA-N 1 0 379.508 3.061 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000129109575 1416146995 /nfs/dbraw/zinc/14/69/95/1416146995.db2.gz WZGDPHOBLQINRQ-NHCUHLMSSA-N 1 0 389.515 3.464 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000129109127 1416147126 /nfs/dbraw/zinc/14/71/26/1416147126.db2.gz WZGDPHOBLQINRQ-RTWAWAEBSA-N 1 0 389.515 3.464 20 30 GGEDRO CC[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@@H]1CCCn2nc(C)nc21 ZINC000129178841 1416164026 /nfs/dbraw/zinc/16/40/26/1416164026.db2.gz NHHUSIQUWFXELY-MRXNPFEDSA-N 1 0 384.459 3.370 20 30 GGEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000178405114 1429071529 /nfs/dbraw/zinc/07/15/29/1429071529.db2.gz LOGXBRHCNJMCQU-ZWKOTPCHSA-N 1 0 387.528 3.004 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccsc1 ZINC000178416881 1429072990 /nfs/dbraw/zinc/07/29/90/1429072990.db2.gz LQKJTAFGXPJLMG-GOSISDBHSA-N 1 0 384.505 3.066 20 30 GGEDRO [NH2+]=C(NCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc2c1CCCC2 ZINC000178421840 1429074411 /nfs/dbraw/zinc/07/44/11/1429074411.db2.gz YQCUKVWXJJGMAV-UHFFFAOYSA-N 1 0 391.924 3.419 20 30 GGEDRO C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000129290871 1416186116 /nfs/dbraw/zinc/18/61/16/1416186116.db2.gz ATGCLFCEAJIVSK-QZTJIDSGSA-N 1 0 384.553 3.036 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1 ZINC000129328023 1416191813 /nfs/dbraw/zinc/19/18/13/1416191813.db2.gz PBBKPVSOIBZDOO-UHFFFAOYSA-N 1 0 384.455 3.125 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129369000 1416197831 /nfs/dbraw/zinc/19/78/31/1416197831.db2.gz QCTAKSBTELBYMQ-BJLQDIEVSA-N 1 0 395.507 3.110 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(c3ccccc3OC)C2=O)c(O)c1 ZINC000129388495 1416201408 /nfs/dbraw/zinc/20/14/08/1416201408.db2.gz RYMDHOHRJRFVJJ-MMTNMYCKSA-N 1 0 381.476 3.471 20 30 GGEDRO C[C@@H]1CC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H]1n1ccnc1 ZINC000129426821 1416207324 /nfs/dbraw/zinc/20/73/24/1416207324.db2.gz LROCBXCMQJRMGR-MDYRTPRTSA-N 1 0 386.459 3.003 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000129515343 1416221453 /nfs/dbraw/zinc/22/14/53/1416221453.db2.gz WAJDIJYGRPKAQG-QKNQBKEWSA-N 1 0 379.508 3.410 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000129578832 1416231816 /nfs/dbraw/zinc/23/18/16/1416231816.db2.gz GNNLVIYMPLZQEY-UHFFFAOYSA-N 1 0 384.480 3.299 20 30 GGEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CCCC3)CC2)nc1-c1cccnc1 ZINC000129747634 1416257374 /nfs/dbraw/zinc/25/73/74/1416257374.db2.gz XXSPNMZRURSBBP-UHFFFAOYSA-N 1 0 384.553 3.180 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129757699 1416259327 /nfs/dbraw/zinc/25/93/27/1416259327.db2.gz MXPKYARSJJZKDT-UWVAXJGDSA-N 1 0 383.471 3.240 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000178455436 1429081349 /nfs/dbraw/zinc/08/13/49/1429081349.db2.gz QDJOCHAPBJDPJV-UHFFFAOYSA-N 1 0 398.894 3.049 20 30 GGEDRO C[C@@H](Sc1nc2ccccc2s1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000129784338 1416263634 /nfs/dbraw/zinc/26/36/34/1416263634.db2.gz GXFNJBHSXXWXED-CQSZACIVSA-N 1 0 376.551 3.471 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(CC)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000129950295 1416289448 /nfs/dbraw/zinc/28/94/48/1416289448.db2.gz CWPJRXWBKPQEET-NRFANRHFSA-N 1 0 379.545 3.180 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000129967912 1416292590 /nfs/dbraw/zinc/29/25/90/1416292590.db2.gz GYTQAOVRVLLSMN-KRWDZBQOSA-N 1 0 393.487 3.169 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000129968140 1416292777 /nfs/dbraw/zinc/29/27/77/1416292777.db2.gz GYTQAOVRVLLSMN-QGZVFWFLSA-N 1 0 393.487 3.169 20 30 GGEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000130017181 1416303121 /nfs/dbraw/zinc/30/31/21/1416303121.db2.gz BMCAYEKJERDMLG-JOCHJYFZSA-N 1 0 377.488 3.213 20 30 GGEDRO Cc1nc(N2CCOCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000178472729 1429085727 /nfs/dbraw/zinc/08/57/27/1429085727.db2.gz DELHJUNGZSLHQY-UHFFFAOYSA-N 1 0 391.475 3.295 20 30 GGEDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000130106110 1416319244 /nfs/dbraw/zinc/31/92/44/1416319244.db2.gz YQEFWLDGOIAJIG-UHFFFAOYSA-N 1 0 380.448 3.008 20 30 GGEDRO N#CCCn1cc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)c(-c2ccccc2)n1 ZINC000130410743 1416373527 /nfs/dbraw/zinc/37/35/27/1416373527.db2.gz INFAQIJNHVUZDL-LJQANCHMSA-N 1 0 393.535 3.054 20 30 GGEDRO CCOC(=O)COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000130522745 1416393630 /nfs/dbraw/zinc/39/36/30/1416393630.db2.gz YWZVGPOMSUYLNU-UHFFFAOYSA-N 1 0 393.487 3.212 20 30 GGEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000178505437 1429092927 /nfs/dbraw/zinc/09/29/27/1429092927.db2.gz NUZDZXKREXNKKE-UHFFFAOYSA-N 1 0 379.460 3.426 20 30 GGEDRO [NH2+]=C(NCc1ccc(COC2CCOCC2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000130634424 1416414481 /nfs/dbraw/zinc/41/44/81/1416414481.db2.gz SJAREZIISKZPRF-OAQYLSRUSA-N 1 0 395.503 3.310 20 30 GGEDRO COc1ccc([C@H](CNC(=O)Cc2cccc(OCC#N)c2)[NH+]2CCCC2)cc1 ZINC000130699884 1416428237 /nfs/dbraw/zinc/42/82/37/1416428237.db2.gz XAQSQJPKWVQXRG-QFIPXVFZSA-N 1 0 393.487 3.093 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000130766078 1416446112 /nfs/dbraw/zinc/44/61/12/1416446112.db2.gz ALGMWFLKVBXNBA-UHFFFAOYSA-N 1 0 399.516 3.494 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000130783966 1416450202 /nfs/dbraw/zinc/45/02/02/1416450202.db2.gz IVUXFRAZBXHVDL-UHFFFAOYSA-N 1 0 393.413 3.199 20 30 GGEDRO C[C@H]1C[C@H](N(C)C(=O)CNc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000130828215 1416461444 /nfs/dbraw/zinc/46/14/44/1416461444.db2.gz LQEOHVBPCJJZEW-PGRDOPGGSA-N 1 0 376.504 3.482 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000130834891 1416463680 /nfs/dbraw/zinc/46/36/80/1416463680.db2.gz OTWCVZATYKXVPO-OAQYLSRUSA-N 1 0 386.540 3.084 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C(N)=O)cc1 ZINC000130859458 1416469490 /nfs/dbraw/zinc/46/94/90/1416469490.db2.gz SBLJUIXLJRLNDQ-HSZRJFAPSA-N 1 0 385.467 3.496 20 30 GGEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2)CC1 ZINC000130906142 1416479046 /nfs/dbraw/zinc/47/90/46/1416479046.db2.gz PICZIQYATDRNLG-UHFFFAOYSA-N 1 0 391.519 3.387 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000178537839 1429101165 /nfs/dbraw/zinc/10/11/65/1429101165.db2.gz XOCPVXUBFXFGLW-FQEVSTJZSA-N 1 0 399.535 3.288 20 30 GGEDRO Cc1ccccc1C(=O)C(C(=S)NCc1ccon1)[n+]1ccc(N(C)C)cc1 ZINC000131124252 1416512363 /nfs/dbraw/zinc/51/23/63/1416512363.db2.gz JPJQDRDFGXLATP-UHFFFAOYSA-O 1 0 395.508 3.065 20 30 GGEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3cccc(C#N)c3C)cc2)CC1 ZINC000178547683 1429103814 /nfs/dbraw/zinc/10/38/14/1429103814.db2.gz NTNCNZLHEMOZOW-UHFFFAOYSA-N 1 0 391.519 3.326 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NCc2ccon2)cc1 ZINC000131164710 1416518452 /nfs/dbraw/zinc/51/84/52/1416518452.db2.gz FNDJDMMRAQSKIX-UHFFFAOYSA-O 1 0 383.497 3.198 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1 ZINC000131247431 1416529741 /nfs/dbraw/zinc/52/97/41/1416529741.db2.gz PASLFDQCXVYWQX-UHFFFAOYSA-O 1 0 390.510 3.082 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C)cc1 ZINC000131347531 1416543244 /nfs/dbraw/zinc/54/32/44/1416543244.db2.gz UXZRHWUGRWEBRM-UHFFFAOYSA-O 1 0 390.510 3.082 20 30 GGEDRO CC[C@@H](c1ccncc1)N(CC)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000131506820 1416568313 /nfs/dbraw/zinc/56/83/13/1416568313.db2.gz ATPWZRXEFOQWRK-FQEVSTJZSA-N 1 0 391.475 3.148 20 30 GGEDRO CC[C@H](c1ccncc1)N(CC)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000131506589 1416568389 /nfs/dbraw/zinc/56/83/89/1416568389.db2.gz YZIVLJXPXASSGI-DENIHFKCSA-N 1 0 391.475 3.151 20 30 GGEDRO CCCNc1ccc(C#N)cc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000131604380 1416583318 /nfs/dbraw/zinc/58/33/18/1416583318.db2.gz BIPMNYMYNHVTRQ-UHFFFAOYSA-N 1 0 391.519 3.380 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131653945 1416591103 /nfs/dbraw/zinc/59/11/03/1416591103.db2.gz IBUPGRMCPRWEPT-IBGZPJMESA-N 1 0 377.488 3.192 20 30 GGEDRO [NH2+]=C(NCC[C@H]1C(=O)Nc2ccccc21)Nc1ccccc1OC(F)(F)F ZINC000178573503 1429110545 /nfs/dbraw/zinc/11/05/45/1429110545.db2.gz HHEGWISJNCEWGZ-GFCCVEGCSA-N 1 0 378.354 3.438 20 30 GGEDRO CCC[NH+](CCC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178593552 1429116009 /nfs/dbraw/zinc/11/60/09/1429116009.db2.gz AVQYCSRRXOEMJM-KRWDZBQOSA-N 1 0 386.540 3.478 20 30 GGEDRO C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000131958421 1416659953 /nfs/dbraw/zinc/65/99/53/1416659953.db2.gz RGKDPTXTNVZMPF-NRFANRHFSA-N 1 0 380.492 3.471 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131964769 1416661755 /nfs/dbraw/zinc/66/17/55/1416661755.db2.gz YLCVAHWQJCVQES-QZTJIDSGSA-N 1 0 392.565 3.169 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000131977931 1416665193 /nfs/dbraw/zinc/66/51/93/1416665193.db2.gz MWHUQUDGCQVCDX-LEWJYISDSA-N 1 0 395.503 3.398 20 30 GGEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)Cc3cccc(OCC#N)c3)n2)C1 ZINC000132207180 1416716986 /nfs/dbraw/zinc/71/69/86/1416716986.db2.gz RUKSIWGEDKZMJN-OAHLLOKOSA-N 1 0 384.505 3.459 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132226851 1416720325 /nfs/dbraw/zinc/72/03/25/1416720325.db2.gz SBGHXIZBCSMBHQ-NQIIRXRSSA-N 1 0 377.488 3.449 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000132281399 1416728453 /nfs/dbraw/zinc/72/84/53/1416728453.db2.gz PEWWBCAFUGOPMJ-ZHRRBRCNSA-N 1 0 395.528 3.300 20 30 GGEDRO N#CCCN(C(=O)C[NH2+][C@]1(CO)CCc2ccccc21)c1cccc(Cl)c1 ZINC000132317516 1416734253 /nfs/dbraw/zinc/73/42/53/1416734253.db2.gz HYGSXWCKYZZLOA-NRFANRHFSA-N 1 0 383.879 3.010 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000132398328 1416752473 /nfs/dbraw/zinc/75/24/73/1416752473.db2.gz GMISXBQACIZBJN-QGZVFWFLSA-N 1 0 389.540 3.393 20 30 GGEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000178637063 1429126168 /nfs/dbraw/zinc/12/61/68/1429126168.db2.gz GWGAWUMYYFERNN-QGZVFWFLSA-N 1 0 384.524 3.230 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000132421400 1416757174 /nfs/dbraw/zinc/75/71/74/1416757174.db2.gz IJFYGFCBNZHTFZ-NQIIRXRSSA-N 1 0 377.488 3.449 20 30 GGEDRO Cc1cc(N2CCC([NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)nc(C)n1 ZINC000178615650 1429122169 /nfs/dbraw/zinc/12/21/69/1429122169.db2.gz KKJOFNVWDLXQFI-UHFFFAOYSA-N 1 0 378.524 3.202 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000132558310 1416785074 /nfs/dbraw/zinc/78/50/74/1416785074.db2.gz FRGWJHQFCNUNOB-UHFFFAOYSA-N 1 0 376.453 3.072 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2cccnc2)c1C#N ZINC000132573818 1416787137 /nfs/dbraw/zinc/78/71/37/1416787137.db2.gz HCFMWSANEJNQHX-UHFFFAOYSA-N 1 0 391.475 3.474 20 30 GGEDRO Cc1cc(F)ccc1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000132678096 1416802774 /nfs/dbraw/zinc/80/27/74/1416802774.db2.gz YEVMRYZORXQEAV-UHFFFAOYSA-N 1 0 382.483 3.322 20 30 GGEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000132825011 1416819665 /nfs/dbraw/zinc/81/96/65/1416819665.db2.gz XIZDJBFWSJOUKB-IBGZPJMESA-N 1 0 387.430 3.276 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)C1 ZINC000132921134 1416831625 /nfs/dbraw/zinc/83/16/25/1416831625.db2.gz FHETXWIBXMZLSS-NRSPTQNISA-N 1 0 386.540 3.468 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cc(C)ccc2OC)C(=S)NCCOC)cc1 ZINC000132970379 1416837171 /nfs/dbraw/zinc/83/71/71/1416837171.db2.gz OVYDSQOAZQLBOG-UHFFFAOYSA-O 1 0 387.525 3.028 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CO)c1C#N ZINC000133007921 1416841361 /nfs/dbraw/zinc/84/13/61/1416841361.db2.gz LBGFVCFBCKNZRK-QRWLVFNGSA-N 1 0 398.507 3.039 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1)C(C)C ZINC000133052759 1416846294 /nfs/dbraw/zinc/84/62/94/1416846294.db2.gz FYHJEVLAXJNTJU-NLWGTHIKSA-N 1 0 381.586 3.039 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)C(C)C ZINC000133052573 1416846358 /nfs/dbraw/zinc/84/63/58/1416846358.db2.gz FYHJEVLAXJNTJU-WSTZPKSXSA-N 1 0 381.586 3.039 20 30 GGEDRO C[C@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000133061461 1416847489 /nfs/dbraw/zinc/84/74/89/1416847489.db2.gz TUMGJQINXMPYGU-GOSISDBHSA-N 1 0 385.533 3.055 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c1C#N ZINC000133220597 1416866151 /nfs/dbraw/zinc/86/61/51/1416866151.db2.gz KUTJFOAVJUHOHK-SNVBAGLBSA-N 1 0 396.278 3.146 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2N(C)c2ccccc2)c1C#N ZINC000133223011 1416866536 /nfs/dbraw/zinc/86/65/36/1416866536.db2.gz LIWYDWCRTSFLJH-UHFFFAOYSA-N 1 0 388.475 3.454 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1C#N ZINC000133244103 1416869676 /nfs/dbraw/zinc/86/96/76/1416869676.db2.gz ZWZUAYIYVNOIPN-UONOGXRCSA-N 1 0 391.397 3.194 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)c1C#N ZINC000133249414 1416869967 /nfs/dbraw/zinc/86/99/67/1416869967.db2.gz ACPQPIURUBUVKC-NWDGAFQWSA-N 1 0 392.290 3.482 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000133277391 1416873333 /nfs/dbraw/zinc/87/33/33/1416873333.db2.gz NJAYAJSEUSFOGE-HUUCEWRRSA-N 1 0 390.553 3.112 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000133297036 1416875875 /nfs/dbraw/zinc/87/58/75/1416875875.db2.gz NXWIUZUYFIGFAJ-FQEVSTJZSA-N 1 0 378.476 3.086 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCn2ccc3cc(Cl)ccc32)c1C#N ZINC000133352715 1416881381 /nfs/dbraw/zinc/88/13/81/1416881381.db2.gz CHGOWHUGOMTYJP-UHFFFAOYSA-N 1 0 384.871 3.070 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccs1 ZINC000133392497 1416885540 /nfs/dbraw/zinc/88/55/40/1416885540.db2.gz PUWSAWMIWYZMKT-QGZVFWFLSA-N 1 0 384.505 3.148 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(-c3ccccc3C)n2)c1C#N ZINC000133501775 1416896163 /nfs/dbraw/zinc/89/61/63/1416896163.db2.gz AQKZHDSTTYBRQG-UHFFFAOYSA-N 1 0 380.477 3.118 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1C#N ZINC000133545660 1416900558 /nfs/dbraw/zinc/90/05/58/1416900558.db2.gz JZTNBSQBPBKLEM-UHFFFAOYSA-N 1 0 394.504 3.047 20 30 GGEDRO COC(=O)c1cccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(C)cc2)c1 ZINC000133571090 1416907465 /nfs/dbraw/zinc/90/74/65/1416907465.db2.gz YUORMQUANITBGM-UHFFFAOYSA-O 1 0 385.509 3.396 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1cccc(C)c1 ZINC000133597631 1416914810 /nfs/dbraw/zinc/91/48/10/1416914810.db2.gz AUCGZWOXIVBTFI-OAHLLOKOSA-O 1 0 385.509 3.396 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1C#N ZINC000133604826 1416916954 /nfs/dbraw/zinc/91/69/54/1416916954.db2.gz QOJMOILTPMOOGQ-UHFFFAOYSA-N 1 0 376.460 3.081 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCn2nc(C(C)C)nc21)C(C)C ZINC000133610759 1416919407 /nfs/dbraw/zinc/91/94/07/1416919407.db2.gz PXFDRCSVJCAHIZ-ZWKOTPCHSA-N 1 0 388.560 3.234 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000133615739 1416921152 /nfs/dbraw/zinc/92/11/52/1416921152.db2.gz SQRNVDKBNCXKSA-UHFFFAOYSA-N 1 0 376.460 3.081 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1C#N ZINC000133627730 1416924551 /nfs/dbraw/zinc/92/45/51/1416924551.db2.gz GNMJQNFGTWDCEE-OAHLLOKOSA-N 1 0 383.496 3.271 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](SCc2ccccc2)C(C)C)c1C#N ZINC000133677288 1416937961 /nfs/dbraw/zinc/93/79/61/1416937961.db2.gz JZKVKCVQRCMMEL-GOSISDBHSA-N 1 0 385.537 3.330 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC3CCC3)cc2Cl)c1C#N ZINC000133690299 1416942096 /nfs/dbraw/zinc/94/20/96/1416942096.db2.gz VKRJMUSJEHNATN-UHFFFAOYSA-N 1 0 387.871 3.270 20 30 GGEDRO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(C)C ZINC000178702314 1429145514 /nfs/dbraw/zinc/14/55/14/1429145514.db2.gz CVVAZLRKBSNVIX-KRWDZBQOSA-N 1 0 386.540 3.334 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(COc3ccccc3)cc2)c1C#N ZINC000133766736 1416959543 /nfs/dbraw/zinc/95/95/43/1416959543.db2.gz VYUGQWFNUGAPAU-UHFFFAOYSA-N 1 0 389.459 3.265 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1C#N ZINC000133766122 1416959851 /nfs/dbraw/zinc/95/98/51/1416959851.db2.gz XCOUVTCWWRNPDE-CYBMUJFWSA-N 1 0 390.491 3.292 20 30 GGEDRO N#Cc1ccc(Nc2cccc(C(=O)NCCCC[N@H+]3CCC[C@H]3CO)c2)cc1 ZINC000133820271 1416969851 /nfs/dbraw/zinc/96/98/51/1416969851.db2.gz FCDADOMAEUONTR-QFIPXVFZSA-N 1 0 392.503 3.269 20 30 GGEDRO C=CCNC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000133858144 1416979215 /nfs/dbraw/zinc/97/92/15/1416979215.db2.gz VEQAXWFJQOJBJT-YADHBBJMSA-N 1 0 390.531 3.488 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCc3ccccc3[C@H]2CO)sc2c1CCCC2 ZINC000133880429 1416986277 /nfs/dbraw/zinc/98/62/77/1416986277.db2.gz PDYQYLJYGWNGDW-LJQANCHMSA-N 1 0 395.528 3.419 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000178711708 1429149177 /nfs/dbraw/zinc/14/91/77/1429149177.db2.gz MLABEDQJGALRQR-VQTJNVASSA-N 1 0 375.488 3.074 20 30 GGEDRO C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]1C ZINC000178717802 1429149902 /nfs/dbraw/zinc/14/99/02/1429149902.db2.gz FMZOCJCWVVPOAV-KURKYZTESA-N 1 0 398.551 3.476 20 30 GGEDRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000134170547 1417032926 /nfs/dbraw/zinc/03/29/26/1417032926.db2.gz STAMQIPYXFEJNP-IBGZPJMESA-N 1 0 377.510 3.149 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134216340 1417038840 /nfs/dbraw/zinc/03/88/40/1417038840.db2.gz IZRCFTPROJZDGQ-INIZCTEOSA-O 1 0 385.509 3.080 20 30 GGEDRO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000134220342 1417039575 /nfs/dbraw/zinc/03/95/75/1417039575.db2.gz MJWNSWNJVGKCHB-UHFFFAOYSA-N 1 0 392.503 3.286 20 30 GGEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000134253467 1417044360 /nfs/dbraw/zinc/04/43/60/1417044360.db2.gz VDCDJUSUNWPKCX-UHFFFAOYSA-N 1 0 378.476 3.276 20 30 GGEDRO N#CCOc1ccccc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134268222 1417047374 /nfs/dbraw/zinc/04/73/74/1417047374.db2.gz MONVBEJVXXCXOP-KRWDZBQOSA-N 1 0 399.878 3.342 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000134320485 1417055133 /nfs/dbraw/zinc/05/51/33/1417055133.db2.gz FRYQGKYQJUAPEE-OAQYLSRUSA-N 1 0 380.488 3.105 20 30 GGEDRO C[C@](C#N)(NC(=O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C1CC1 ZINC000134459287 1417071490 /nfs/dbraw/zinc/07/14/90/1417071490.db2.gz HTBKHUBEDCLKOJ-MEDUHNTESA-N 1 0 386.443 3.150 20 30 GGEDRO N#CC1(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCC1 ZINC000134588536 1417092936 /nfs/dbraw/zinc/09/29/36/1417092936.db2.gz IFFVYENZAMVOEU-UHFFFAOYSA-N 1 0 394.441 3.028 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000134622226 1417099178 /nfs/dbraw/zinc/09/91/78/1417099178.db2.gz DDUKORQGEIITTA-RDJZCZTQSA-N 1 0 386.496 3.264 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000134639678 1417103093 /nfs/dbraw/zinc/10/30/93/1417103093.db2.gz MMKRTUMMXHZFJN-UKRRQHHQSA-N 1 0 392.525 3.326 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000134650820 1417105337 /nfs/dbraw/zinc/10/53/37/1417105337.db2.gz ANDVBSMKMLJANK-MAUKXSAKSA-N 1 0 386.496 3.264 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000134650840 1417105377 /nfs/dbraw/zinc/10/53/77/1417105377.db2.gz ANDVBSMKMLJANK-QAPCUYQASA-N 1 0 386.496 3.264 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000178729238 1429153374 /nfs/dbraw/zinc/15/33/74/1429153374.db2.gz KZPIHUDISKQLRM-HXUWFJFHSA-N 1 0 397.567 3.148 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134772544 1417123311 /nfs/dbraw/zinc/12/33/11/1417123311.db2.gz RNQOTTNDPWEEJK-KBMWQNTOSA-N 1 0 375.488 3.157 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134928428 1417146996 /nfs/dbraw/zinc/14/69/96/1417146996.db2.gz KDWJWLBPWRSIIU-JBYIUTFZSA-N 1 0 398.526 3.410 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134929846 1417147233 /nfs/dbraw/zinc/14/72/33/1417147233.db2.gz BAEIUCJEVWWBAG-LAUBAEHRSA-N 1 0 393.535 3.125 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1C#N ZINC000135117644 1417174132 /nfs/dbraw/zinc/17/41/32/1417174132.db2.gz KRYCTBLOPBUFOM-UHFFFAOYSA-N 1 0 377.488 3.404 20 30 GGEDRO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1C#N ZINC000135173124 1417181264 /nfs/dbraw/zinc/18/12/64/1417181264.db2.gz KGVBFYWOBDNVFJ-UHFFFAOYSA-N 1 0 382.439 3.492 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1C#N ZINC000135174467 1417181315 /nfs/dbraw/zinc/18/13/15/1417181315.db2.gz KKGNZFJHFICQQO-HNNXBMFYSA-N 1 0 384.867 3.466 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135249792 1417196658 /nfs/dbraw/zinc/19/66/58/1417196658.db2.gz LKWWQQRLPAKFMA-UHFFFAOYSA-N 1 0 395.438 3.195 20 30 GGEDRO C[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000135262985 1417199144 /nfs/dbraw/zinc/19/91/44/1417199144.db2.gz YOPHRIZFFBJEHO-OAHLLOKOSA-N 1 0 382.439 3.296 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOCC23CCC3)c1C#N ZINC000135493159 1417228186 /nfs/dbraw/zinc/22/81/86/1417228186.db2.gz KVSQOAXQBRMVBK-UHFFFAOYSA-N 1 0 396.491 3.201 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1OC ZINC000135617551 1417248131 /nfs/dbraw/zinc/24/81/31/1417248131.db2.gz RSZZGRNANKXICT-UHFFFAOYSA-N 1 0 396.487 3.469 20 30 GGEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000135720151 1417261736 /nfs/dbraw/zinc/26/17/36/1417261736.db2.gz SISQKCHTXNFENB-NRFANRHFSA-N 1 0 395.528 3.225 20 30 GGEDRO C=CCCOCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000135905731 1417277266 /nfs/dbraw/zinc/27/72/66/1417277266.db2.gz QXQGNHXZFINZLF-YJBOKZPZSA-N 1 0 383.895 3.364 20 30 GGEDRO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(C[NH+](C)C)cc2)C1=O ZINC000136009981 1417285511 /nfs/dbraw/zinc/28/55/11/1417285511.db2.gz IYMODWDVOHTQCO-NRFANRHFSA-N 1 0 388.512 3.064 20 30 GGEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000136238131 1417303855 /nfs/dbraw/zinc/30/38/55/1417303855.db2.gz FYCKHRQCINYZJV-UHFFFAOYSA-N 1 0 394.496 3.263 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)C(C)C ZINC000136381535 1417312902 /nfs/dbraw/zinc/31/29/02/1417312902.db2.gz GRTPKMCLOBXLSZ-FQEVSTJZSA-N 1 0 384.524 3.135 20 30 GGEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2cccc(C)c2)c1 ZINC000136490199 1417320728 /nfs/dbraw/zinc/32/07/28/1417320728.db2.gz HVBUQJKZJJRQAX-GOSISDBHSA-O 1 0 383.537 3.464 20 30 GGEDRO CCc1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccc(C)cc2)cc1 ZINC000136495573 1417321169 /nfs/dbraw/zinc/32/11/69/1417321169.db2.gz ZSKXVPPBTVCFMQ-GOSISDBHSA-O 1 0 383.537 3.410 20 30 GGEDRO O=C(c1ccc2c(c1)CCCC2)C(C(=S)NC[C@@H]1CCOC1)[n+]1ccccc1 ZINC000136498754 1417321464 /nfs/dbraw/zinc/32/14/64/1417321464.db2.gz ZQWMNNQBOPPOQT-KRWDZBQOSA-O 1 0 395.548 3.418 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136506262 1417321955 /nfs/dbraw/zinc/32/19/55/1417321955.db2.gz YAWHPNJKNAOPER-GOSISDBHSA-O 1 0 383.537 3.464 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136506221 1417322088 /nfs/dbraw/zinc/32/20/88/1417322088.db2.gz YAWHPNJKNAOPER-SFHVURJKSA-O 1 0 383.537 3.464 20 30 GGEDRO CCc1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2cccc(C)c2)cc1 ZINC000136511499 1417322590 /nfs/dbraw/zinc/32/25/90/1417322590.db2.gz TZYSBENMCRWLKR-GOSISDBHSA-O 1 0 383.537 3.410 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2cccc(C)c2)cc1 ZINC000136511840 1417322656 /nfs/dbraw/zinc/32/26/56/1417322656.db2.gz JUHQMKBXOAVKGE-KRWDZBQOSA-O 1 0 399.536 3.246 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136511211 1417322667 /nfs/dbraw/zinc/32/26/67/1417322667.db2.gz MFBSZRAPGQNJBH-SFHVURJKSA-O 1 0 383.537 3.410 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC[C@H]1CCOC1)[n+]1ccc(C)cc1 ZINC000136515688 1417322841 /nfs/dbraw/zinc/32/28/41/1417322841.db2.gz ZRZOFNGOLCIHSM-QGZVFWFLSA-O 1 0 399.536 3.164 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@H]2CCOC2)c1 ZINC000136521111 1417323479 /nfs/dbraw/zinc/32/34/79/1417323479.db2.gz FYCPCVUKVAPIHK-GOSISDBHSA-O 1 0 383.537 3.464 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136531315 1417324056 /nfs/dbraw/zinc/32/40/56/1417324056.db2.gz BQWNADUCKAYBDX-SFHVURJKSA-O 1 0 383.537 3.410 20 30 GGEDRO Cc1cc(C)c(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccccc2)cc1C ZINC000136535508 1417324490 /nfs/dbraw/zinc/32/44/90/1417324490.db2.gz PMUXWEAVASQXRA-GOSISDBHSA-O 1 0 383.537 3.464 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCc2cccc(COCC(F)(F)F)c2)cc1 ZINC000136542426 1417324842 /nfs/dbraw/zinc/32/48/42/1417324842.db2.gz OEMQBILNRRDPAG-UHFFFAOYSA-N 1 0 395.425 3.421 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136544044 1417324899 /nfs/dbraw/zinc/32/48/99/1417324899.db2.gz HEAPDMWMWKJFSW-QGZVFWFLSA-O 1 0 386.541 3.046 20 30 GGEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1CCC(C)C ZINC000137387307 1417383302 /nfs/dbraw/zinc/38/33/02/1417383302.db2.gz AXWWHXQPVWGZLK-UHFFFAOYSA-N 1 0 381.524 3.313 20 30 GGEDRO C=C(C)COCCNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000137452938 1417386491 /nfs/dbraw/zinc/38/64/91/1417386491.db2.gz ZIJFTYAJZVXYKO-UHFFFAOYSA-N 1 0 388.512 3.215 20 30 GGEDRO CCOc1ccc(NC(=O)CC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000137545360 1417390346 /nfs/dbraw/zinc/39/03/46/1417390346.db2.gz ZUQQCVOMEREJTK-JOCHJYFZSA-N 1 0 392.503 3.296 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000137572749 1417390921 /nfs/dbraw/zinc/39/09/21/1417390921.db2.gz BWRVWVFFCQQSNH-NRFANRHFSA-N 1 0 390.483 3.137 20 30 GGEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000178826627 1429185301 /nfs/dbraw/zinc/18/53/01/1429185301.db2.gz SSLVBPHRALBEBL-UHFFFAOYSA-N 1 0 380.514 3.241 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCO[C@H](C)[C@@H]2C)c1C#N ZINC000139194608 1417451282 /nfs/dbraw/zinc/45/12/82/1417451282.db2.gz JXAALMKYOUOUJX-DLBZAZTESA-N 1 0 384.480 3.056 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000139852096 1417477821 /nfs/dbraw/zinc/47/78/21/1417477821.db2.gz UZWLMASPQCXTKI-QAPCUYQASA-N 1 0 386.565 3.243 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139964725 1417483123 /nfs/dbraw/zinc/48/31/23/1417483123.db2.gz QAGCJVRGRGBCQO-ZHALLVOQSA-N 1 0 386.565 3.293 20 30 GGEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000141685010 1417551797 /nfs/dbraw/zinc/55/17/97/1417551797.db2.gz RMENASRFBLFUSW-IBGZPJMESA-N 1 0 389.503 3.174 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)ccc1OC ZINC000142862075 1417601780 /nfs/dbraw/zinc/60/17/80/1417601780.db2.gz VYLXPOVOUKNKSH-UHFFFAOYSA-N 1 0 390.505 3.311 20 30 GGEDRO COc1ccc(C[NH2+]CCc2ccc3c(c2)OCCO3)cc1OCCCC#N ZINC000147121314 1417739186 /nfs/dbraw/zinc/73/91/86/1417739186.db2.gz FYGWWEJQQSHPPI-UHFFFAOYSA-N 1 0 382.460 3.481 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1OCCCC#N ZINC000147236263 1417742793 /nfs/dbraw/zinc/74/27/93/1417742793.db2.gz DTMKTVGTEMHTBV-HXUWFJFHSA-N 1 0 393.487 3.268 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000150753865 1417799841 /nfs/dbraw/zinc/79/98/41/1417799841.db2.gz ZUVIIKXILBGDGN-GOSISDBHSA-N 1 0 388.943 3.313 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)ccc2N2CCCC2)CC1 ZINC000150759016 1417801172 /nfs/dbraw/zinc/80/11/72/1417801172.db2.gz RLNMORLADJVHQD-UHFFFAOYSA-N 1 0 390.325 3.333 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150774176 1417804340 /nfs/dbraw/zinc/80/43/40/1417804340.db2.gz YVFSKGUWQPNPTR-LEWJYISDSA-N 1 0 382.552 3.356 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CC[C@@H](C[NH+]3CCCC3)C2)sc2c1CCCC2 ZINC000150858497 1417822306 /nfs/dbraw/zinc/82/23/06/1417822306.db2.gz KMSVVSDCPVCGDU-INIZCTEOSA-N 1 0 386.565 3.245 20 30 GGEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000150875159 1417825859 /nfs/dbraw/zinc/82/58/59/1417825859.db2.gz SDDBKPDNPBKIPW-SFHVURJKSA-N 1 0 384.524 3.490 20 30 GGEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000151031370 1417858881 /nfs/dbraw/zinc/85/88/81/1417858881.db2.gz GECZLKBFSLXJLU-UHFFFAOYSA-N 1 0 375.469 3.018 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000151043922 1417861393 /nfs/dbraw/zinc/86/13/93/1417861393.db2.gz HDACRTBUJSRUGJ-ROUUACIJSA-N 1 0 384.524 3.151 20 30 GGEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000151067012 1417866094 /nfs/dbraw/zinc/86/60/94/1417866094.db2.gz ZACBOSNINXJAHS-UHFFFAOYSA-N 1 0 375.469 3.016 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000151112984 1417874488 /nfs/dbraw/zinc/87/44/88/1417874488.db2.gz HKQQNXUCUMCJKC-CTNGQTDRSA-N 1 0 381.520 3.292 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151136418 1417879587 /nfs/dbraw/zinc/87/95/87/1417879587.db2.gz LLVGHQCTQDGUBN-KRWDZBQOSA-N 1 0 395.532 3.237 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151192236 1417891109 /nfs/dbraw/zinc/89/11/09/1417891109.db2.gz YAVWZVMMNXFFJY-KRWDZBQOSA-N 1 0 395.532 3.094 20 30 GGEDRO C#CCOc1ccc(C(=O)Nc2cccc(C(=O)NCC[NH+](CC)CC)c2)cc1 ZINC000151219724 1417896446 /nfs/dbraw/zinc/89/64/46/1417896446.db2.gz ZTZMHXBOYDQXEP-UHFFFAOYSA-N 1 0 393.487 3.023 20 30 GGEDRO CCOc1ccccc1[C@H](CC)NC(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000151286311 1417915658 /nfs/dbraw/zinc/91/56/58/1417915658.db2.gz PZUZTMNDNGLGJC-IBGZPJMESA-N 1 0 398.507 3.056 20 30 GGEDRO N#Cc1cc(F)c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c(F)c1 ZINC000151296078 1417918992 /nfs/dbraw/zinc/91/89/92/1417918992.db2.gz XXUVPTRJFFRZGG-UHFFFAOYSA-N 1 0 379.476 3.318 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000151311037 1417923365 /nfs/dbraw/zinc/92/33/65/1417923365.db2.gz DOGQVUCDSHDSRO-OAHLLOKOSA-N 1 0 388.541 3.150 20 30 GGEDRO Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1NC(=O)NC(C)(C)C ZINC000151342893 1417930623 /nfs/dbraw/zinc/93/06/23/1417930623.db2.gz ZJZVPKAIMZPESJ-UHFFFAOYSA-N 1 0 387.528 3.223 20 30 GGEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151344206 1417931111 /nfs/dbraw/zinc/93/11/11/1417931111.db2.gz CXGSLLGIBUQNPC-UHFFFAOYSA-N 1 0 392.503 3.257 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000151393103 1417946579 /nfs/dbraw/zinc/94/65/79/1417946579.db2.gz LFRCBEZSBXUGCI-MRXNPFEDSA-N 1 0 395.484 3.481 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)CC1 ZINC000151485324 1417997916 /nfs/dbraw/zinc/99/79/16/1417997916.db2.gz DOJJOSBWDMBDQI-HXUWFJFHSA-N 1 0 384.520 3.050 20 30 GGEDRO CN(C(=O)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151808068 1418092099 /nfs/dbraw/zinc/09/20/99/1418092099.db2.gz FAEJMTAHMFHGBK-LJQANCHMSA-N 1 0 382.508 3.265 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000178982753 1429233778 /nfs/dbraw/zinc/23/37/78/1429233778.db2.gz CQWDBGFHYRIYOH-UHFFFAOYSA-N 1 0 376.435 3.450 20 30 GGEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CC1(O)CCCC1 ZINC000152005190 1418117999 /nfs/dbraw/zinc/11/79/99/1418117999.db2.gz DPSIPTKIVJCZSX-AWEZNQCLSA-N 1 0 375.538 3.453 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CC2(O)CCCC2)c1C#N ZINC000152063404 1418134549 /nfs/dbraw/zinc/13/45/49/1418134549.db2.gz RFIKAWUIZNUHPR-UHFFFAOYSA-N 1 0 398.507 3.183 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000152064430 1418134992 /nfs/dbraw/zinc/13/49/92/1418134992.db2.gz UKFBRAHHIZRCQD-UHFFFAOYSA-N 1 0 397.454 3.432 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2C)[n+]1cccc(C)c1 ZINC000152105949 1418147079 /nfs/dbraw/zinc/14/70/79/1418147079.db2.gz CWSJKCJDFOJIOF-UHFFFAOYSA-O 1 0 396.536 3.130 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2C)[n+]1ccc(C)cc1 ZINC000152106954 1418147153 /nfs/dbraw/zinc/14/71/53/1418147153.db2.gz ROLRCDILKRUNRN-UHFFFAOYSA-O 1 0 396.536 3.130 20 30 GGEDRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000152130335 1418152240 /nfs/dbraw/zinc/15/22/40/1418152240.db2.gz OPUKYKGOUBALCS-ACJLOTCBSA-N 1 0 385.489 3.315 20 30 GGEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CCCC3)CC2)nc1-c1ccccn1 ZINC000152138199 1418155164 /nfs/dbraw/zinc/15/51/64/1418155164.db2.gz DUSIEDKUNMBWKT-UHFFFAOYSA-N 1 0 384.553 3.180 20 30 GGEDRO CC1CC[NH+](C2CCC(NC(=O)NCc3ccc(OCC#N)cc3)CC2)CC1 ZINC000179025008 1429245058 /nfs/dbraw/zinc/24/50/58/1429245058.db2.gz NQFSDGDTQIIVIH-UHFFFAOYSA-N 1 0 384.524 3.431 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000179171960 1429284962 /nfs/dbraw/zinc/28/49/62/1429284962.db2.gz VPRMYQOHIDKYPF-GOSISDBHSA-N 1 0 395.450 3.021 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000179174326 1429285827 /nfs/dbraw/zinc/28/58/27/1429285827.db2.gz XVQOMYZMXWIMJG-UHFFFAOYSA-N 1 0 376.435 3.450 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccccn2)c2ccccc2OC)CC1 ZINC000179307607 1429323517 /nfs/dbraw/zinc/32/35/17/1429323517.db2.gz MAZKYIXAFJETPZ-NRFANRHFSA-N 1 0 380.492 3.129 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000179340713 1429335440 /nfs/dbraw/zinc/33/54/40/1429335440.db2.gz BGYFWAQRTKQADJ-OAHLLOKOSA-N 1 0 380.895 3.007 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496605 1429394880 /nfs/dbraw/zinc/39/48/80/1429394880.db2.gz MESJCGUKBCIKJA-RBUKOAKNSA-N 1 0 382.508 3.030 20 30 GGEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(Cc4ccncc4)CC3)CC2)nc1 ZINC000179594674 1429460310 /nfs/dbraw/zinc/46/03/10/1429460310.db2.gz UYKWKBYJHFZQNC-UHFFFAOYSA-N 1 0 391.519 3.292 20 30 GGEDRO N#CCCn1cc(CN2CC[NH+](CC3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000179624467 1429475709 /nfs/dbraw/zinc/47/57/09/1429475709.db2.gz JIWSCUAUSCXNRL-UHFFFAOYSA-N 1 0 393.535 3.008 20 30 GGEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179650191 1429489270 /nfs/dbraw/zinc/48/92/70/1429489270.db2.gz DTJMNBMDRWWPNF-OAHLLOKOSA-N 1 0 379.460 3.075 20 30 GGEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000179671256 1429500156 /nfs/dbraw/zinc/50/01/56/1429500156.db2.gz IGMVGKWGLUHBNN-UYAOXDASSA-N 1 0 396.560 3.425 20 30 GGEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cc1 ZINC000179666375 1429497816 /nfs/dbraw/zinc/49/78/16/1429497816.db2.gz LGPFABZPCKYKLB-HKUYNNGSSA-N 1 0 382.533 3.116 20 30 GGEDRO Cc1cccc(C(C)(C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000179672751 1429500949 /nfs/dbraw/zinc/50/09/49/1429500949.db2.gz KVLNRISWZXAVNK-LJQANCHMSA-N 1 0 396.560 3.290 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(OCc2ccccn2)c1 ZINC000179686426 1429506720 /nfs/dbraw/zinc/50/67/20/1429506720.db2.gz DMDFXWLLBYDUOF-AOMKIAJQSA-N 1 0 378.476 3.120 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179688141 1429507681 /nfs/dbraw/zinc/50/76/81/1429507681.db2.gz CWTGMJJTLOBNBQ-JTSKRJEESA-N 1 0 380.492 3.366 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000152327126 1422073936 /nfs/dbraw/zinc/07/39/36/1422073936.db2.gz NITXADFNXHKIFE-JPYJTQIMSA-N 1 0 390.531 3.452 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC3(O)CCCC3)sc2C1 ZINC000152425293 1422100237 /nfs/dbraw/zinc/10/02/37/1422100237.db2.gz VGTYCJDDFCGZMD-AWEZNQCLSA-N 1 0 375.538 3.310 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000152576765 1422150662 /nfs/dbraw/zinc/15/06/62/1422150662.db2.gz ZKHCYDBKHJGVLU-RDTXWAMCSA-N 1 0 398.482 3.279 20 30 GGEDRO CC[NH+]=C(NCc1ccc(Br)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000152610700 1422164016 /nfs/dbraw/zinc/16/40/16/1422164016.db2.gz LLKNXUKPBNZDLZ-XHSDSOJGSA-N 1 0 380.330 3.318 20 30 GGEDRO C=CCc1cc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc(OC)c1O ZINC000152734601 1422230299 /nfs/dbraw/zinc/23/02/99/1422230299.db2.gz IPNGCXGYHHOQIF-INIZCTEOSA-N 1 0 389.517 3.390 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000152781092 1422245913 /nfs/dbraw/zinc/24/59/13/1422245913.db2.gz LPKOBILJTVJHHO-INIZCTEOSA-N 1 0 393.528 3.363 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000152793551 1422250346 /nfs/dbraw/zinc/25/03/46/1422250346.db2.gz IBFLODODHWFGRZ-GOSISDBHSA-N 1 0 389.565 3.365 20 30 GGEDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000179757194 1429542952 /nfs/dbraw/zinc/54/29/52/1429542952.db2.gz CLEZPUZTEVKVLA-FOIQADDNSA-N 1 0 383.492 3.230 20 30 GGEDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000179753096 1429539897 /nfs/dbraw/zinc/53/98/97/1429539897.db2.gz XVXNFPBUTFZLAV-QKKBWIMNSA-N 1 0 377.444 3.397 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000152969014 1422311256 /nfs/dbraw/zinc/31/12/56/1422311256.db2.gz ZLUNNRUDZKSXJA-GOSISDBHSA-N 1 0 393.597 3.408 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000152979393 1422314730 /nfs/dbraw/zinc/31/47/30/1422314730.db2.gz QVQKUKCWMMIGFJ-LJQANCHMSA-N 1 0 387.863 3.337 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000152978631 1422315158 /nfs/dbraw/zinc/31/51/58/1422315158.db2.gz NDCXJXXQJOMTAL-FZKQIMNGSA-N 1 0 388.851 3.225 20 30 GGEDRO CN(C(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C1(C#N)CCCCC1 ZINC000179768494 1429550498 /nfs/dbraw/zinc/55/04/98/1429550498.db2.gz QJYKGUOIWCNTEZ-NRFANRHFSA-N 1 0 383.492 3.183 20 30 GGEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[C@H](C[NH+](C)C)C2)c1=S ZINC000153157192 1422375096 /nfs/dbraw/zinc/37/50/96/1422375096.db2.gz WWNRYZKZVCIUJS-OAHLLOKOSA-N 1 0 375.517 3.247 20 30 GGEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[C@@H](C[NH+](C)C)C2)c1=S ZINC000153157081 1422375208 /nfs/dbraw/zinc/37/52/08/1422375208.db2.gz WWNRYZKZVCIUJS-HNNXBMFYSA-N 1 0 375.517 3.247 20 30 GGEDRO CCCOc1ccc2c(c1)CC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000153215277 1422396468 /nfs/dbraw/zinc/39/64/68/1422396468.db2.gz BLYKMBWPTCSPSF-NRFANRHFSA-N 1 0 380.488 3.339 20 30 GGEDRO N#CCC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000153243086 1422413171 /nfs/dbraw/zinc/41/31/71/1422413171.db2.gz GRVVBLLLHQKCFZ-JOCHJYFZSA-N 1 0 376.504 3.360 20 30 GGEDRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153265836 1422427747 /nfs/dbraw/zinc/42/77/47/1422427747.db2.gz HRPLDBKHPMDHRL-JTQLQIEISA-N 1 0 395.294 3.062 20 30 GGEDRO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153274081 1422432952 /nfs/dbraw/zinc/43/29/52/1422432952.db2.gz WBXMVAAJHJFUTI-OAHLLOKOSA-N 1 0 382.512 3.187 20 30 GGEDRO CC(C)[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccc(F)cc1 ZINC000153319530 1422467590 /nfs/dbraw/zinc/46/75/90/1422467590.db2.gz KXGSJRQJDUQVEN-UHFFFAOYSA-N 1 0 388.468 3.437 20 30 GGEDRO COc1ccc(CNc2ccc(N3CC[NH+](C)CC3)nc2)cc1OCCCC#N ZINC000153340580 1422479425 /nfs/dbraw/zinc/47/94/25/1422479425.db2.gz RVGAQPKOVYOVFP-UHFFFAOYSA-N 1 0 395.507 3.137 20 30 GGEDRO COc1cc(CN2CC[C@@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2)cc(OC)c1 ZINC000153353929 1422487532 /nfs/dbraw/zinc/48/75/32/1422487532.db2.gz UZXQVXFJYFEHPU-YLJYHZDGSA-N 1 0 395.503 3.359 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000153423034 1422527133 /nfs/dbraw/zinc/52/71/33/1422527133.db2.gz VOIIWHACELHHBN-ZWKOTPCHSA-N 1 0 394.560 3.162 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)NCCC)CC2)cc1 ZINC000153527686 1422587148 /nfs/dbraw/zinc/58/71/48/1422587148.db2.gz MQSUPLZNQXCOKK-KRWDZBQOSA-N 1 0 393.959 3.459 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)NCCC)CC2)cc1 ZINC000153527823 1422588058 /nfs/dbraw/zinc/58/80/58/1422588058.db2.gz MQSUPLZNQXCOKK-QGZVFWFLSA-N 1 0 393.959 3.459 20 30 GGEDRO C=CCOc1ccc(-c2nn(CN3CC[NH+](CC4CC4)CC3)c(=S)o2)cc1 ZINC000153602666 1422642853 /nfs/dbraw/zinc/64/28/53/1422642853.db2.gz DZIQOXDOFGMBEX-UHFFFAOYSA-N 1 0 386.521 3.422 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153679721 1422700029 /nfs/dbraw/zinc/70/00/29/1422700029.db2.gz GBGPWRZKAXRZTB-QUCCMNQESA-N 1 0 397.519 3.201 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153685348 1422701557 /nfs/dbraw/zinc/70/15/57/1422701557.db2.gz HPQGTGKOAWEYKH-QFIPXVFZSA-N 1 0 396.491 3.059 20 30 GGEDRO C=C[C@H](CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000153698597 1422709696 /nfs/dbraw/zinc/70/96/96/1422709696.db2.gz LICDWHWDWWAJNH-JOCHJYFZSA-N 1 0 377.532 3.410 20 30 GGEDRO C=CCN(C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000153736803 1422730435 /nfs/dbraw/zinc/73/04/35/1422730435.db2.gz DKMUDZXQVKCSKR-UHFFFAOYSA-N 1 0 378.520 3.336 20 30 GGEDRO COC(=O)[C@@H](C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000153753054 1422737809 /nfs/dbraw/zinc/73/78/09/1422737809.db2.gz PSADPLYMYRQFJF-ZDUSSCGKSA-N 1 0 389.521 3.101 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N1CCS[C@H](C(C)C)C1 ZINC000153779427 1422752707 /nfs/dbraw/zinc/75/27/07/1422752707.db2.gz JRINJHPOUMRGLK-SFHVURJKSA-N 1 0 386.569 3.033 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153858908 1422800188 /nfs/dbraw/zinc/80/01/88/1422800188.db2.gz KGGSLXDEJJASAJ-JOCHJYFZSA-N 1 0 396.466 3.156 20 30 GGEDRO C=CCN(C)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000153893981 1422806746 /nfs/dbraw/zinc/80/67/46/1422806746.db2.gz ZOYKBGSMHYPZFP-UHFFFAOYSA-N 1 0 384.446 3.045 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000154006062 1422824147 /nfs/dbraw/zinc/82/41/47/1422824147.db2.gz JVUMVLGXEVDNSZ-RXVVDRJESA-N 1 0 377.488 3.301 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000154007684 1422824514 /nfs/dbraw/zinc/82/45/14/1422824514.db2.gz WYBLMIIOKLWXMH-QFIPXVFZSA-N 1 0 376.500 3.412 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154206371 1422854872 /nfs/dbraw/zinc/85/48/72/1422854872.db2.gz BEGRZBOGTJTUDD-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO C=C[C@H](CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccccc1 ZINC000154306922 1422870286 /nfs/dbraw/zinc/87/02/86/1422870286.db2.gz CQWLEDNVSAXDFE-MZYLBHOOSA-N 1 0 378.516 3.346 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOC3(CCC3)C2)c1C#N ZINC000154347987 1422876414 /nfs/dbraw/zinc/87/64/14/1422876414.db2.gz PCBJJDKFJRLUFL-UHFFFAOYSA-N 1 0 396.491 3.201 20 30 GGEDRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)[NH+](C)C)cc1 ZINC000154377944 1422881076 /nfs/dbraw/zinc/88/10/76/1422881076.db2.gz KMQWLVFGSNCMBP-LJQANCHMSA-N 1 0 398.894 3.132 20 30 GGEDRO CCNC(=O)COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000154386244 1422882419 /nfs/dbraw/zinc/88/24/19/1422882419.db2.gz BQRVSZXLHFFJAU-UHFFFAOYSA-N 1 0 395.503 3.492 20 30 GGEDRO C[N@H+](CCOCc1ccccc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000154538929 1422912477 /nfs/dbraw/zinc/91/24/77/1422912477.db2.gz XWKHWIQNYRAGDT-IBGZPJMESA-N 1 0 386.455 3.372 20 30 GGEDRO CNC(=O)CCC[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000154559178 1422930005 /nfs/dbraw/zinc/93/00/05/1422930005.db2.gz CQCFCRZMAYBVHS-UHFFFAOYSA-N 1 0 381.476 3.104 20 30 GGEDRO CCN1CCc2nc(NC(=O)CCCC(=O)Nc3ccccc3C#N)sc2C1 ZINC000154687029 1423001122 /nfs/dbraw/zinc/00/11/22/1423001122.db2.gz ZMTYENOFSJLAMZ-UHFFFAOYSA-N 1 0 397.504 3.140 20 30 GGEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000154735888 1423015649 /nfs/dbraw/zinc/01/56/49/1423015649.db2.gz UHYCGDMVONSDHH-SFHVURJKSA-N 1 0 384.524 3.295 20 30 GGEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000154737602 1423016849 /nfs/dbraw/zinc/01/68/49/1423016849.db2.gz JZBLDMTVNDIUNU-UHFFFAOYSA-N 1 0 380.463 3.366 20 30 GGEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000154804621 1423038846 /nfs/dbraw/zinc/03/88/46/1423038846.db2.gz DKPCXTPUVYWIFV-QGZVFWFLSA-N 1 0 384.524 3.294 20 30 GGEDRO N#Cc1cccc(NCC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000154903355 1423074774 /nfs/dbraw/zinc/07/47/74/1423074774.db2.gz RQBSRWDVLOWCBA-UHFFFAOYSA-N 1 0 389.503 3.141 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000154954032 1423090130 /nfs/dbraw/zinc/09/01/30/1423090130.db2.gz KIHLTFDDSSRTMM-OKILXGFUSA-N 1 0 390.915 3.023 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)c1C#N ZINC000179862853 1429614414 /nfs/dbraw/zinc/61/44/14/1429614414.db2.gz KDOQKIYYQQILOI-KRWDZBQOSA-N 1 0 394.519 3.368 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000155106684 1423167879 /nfs/dbraw/zinc/16/78/79/1423167879.db2.gz GDISFCXJZMFTCW-XLIONFOSSA-N 1 0 379.460 3.287 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(OCc2ccc(C#N)cc2OC)cc1 ZINC000155204801 1423244143 /nfs/dbraw/zinc/24/41/43/1423244143.db2.gz HPJJXBVFAUCKCF-UHFFFAOYSA-N 1 0 381.476 3.217 20 30 GGEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000155208573 1423245830 /nfs/dbraw/zinc/24/58/30/1423245830.db2.gz UJPTUWREXUNYPP-UKTKYZJWSA-N 1 0 390.487 3.339 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179892437 1429627474 /nfs/dbraw/zinc/62/74/74/1429627474.db2.gz NCTOEMHMZFXSQW-LJQANCHMSA-N 1 0 397.486 3.381 20 30 GGEDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000155531063 1423402614 /nfs/dbraw/zinc/40/26/14/1423402614.db2.gz AGCQKZFOGOQQTM-HXUWFJFHSA-N 1 0 377.488 3.485 20 30 GGEDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000155534758 1423404768 /nfs/dbraw/zinc/40/47/68/1423404768.db2.gz UOINHUYUDPXKBV-JOCHJYFZSA-N 1 0 377.488 3.485 20 30 GGEDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000155534647 1423404872 /nfs/dbraw/zinc/40/48/72/1423404872.db2.gz UOINHUYUDPXKBV-QFIPXVFZSA-N 1 0 377.488 3.485 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000155539604 1423408366 /nfs/dbraw/zinc/40/83/66/1423408366.db2.gz MAANDFFURNZBPY-GOSISDBHSA-N 1 0 387.524 3.064 20 30 GGEDRO COC(=O)CCC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000155627104 1423454531 /nfs/dbraw/zinc/45/45/31/1423454531.db2.gz KXXZNQUZSYVSFF-UHFFFAOYSA-N 1 0 379.460 3.342 20 30 GGEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000155699502 1423492486 /nfs/dbraw/zinc/49/24/86/1423492486.db2.gz QJKQBNOVIZGWQT-QGZVFWFLSA-N 1 0 392.503 3.452 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1 ZINC000155792055 1423535975 /nfs/dbraw/zinc/53/59/75/1423535975.db2.gz RCPGCINSINWEIT-UHFFFAOYSA-N 1 0 394.519 3.369 20 30 GGEDRO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c(C#N)c1C ZINC000155979252 1423618090 /nfs/dbraw/zinc/61/80/90/1423618090.db2.gz KMMAARRAHZRBKP-IBGZPJMESA-N 1 0 383.517 3.448 20 30 GGEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000156022938 1423638922 /nfs/dbraw/zinc/63/89/22/1423638922.db2.gz FVDVHPZARQHCFC-UHFFFAOYSA-N 1 0 389.908 3.155 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)CC1 ZINC000156114307 1423678003 /nfs/dbraw/zinc/67/80/03/1423678003.db2.gz VAWGWNUHOXORQJ-UHFFFAOYSA-N 1 0 385.471 3.422 20 30 GGEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CNc1cccc(C#N)c1 ZINC000156170350 1423705242 /nfs/dbraw/zinc/70/52/42/1423705242.db2.gz WMYSFWDFGPLFNN-UHFFFAOYSA-N 1 0 380.517 3.466 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000179964174 1429665358 /nfs/dbraw/zinc/66/53/58/1429665358.db2.gz LDFCDDAKGHTKHU-DNVCBOLYSA-N 1 0 377.444 3.176 20 30 GGEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000179964916 1429666041 /nfs/dbraw/zinc/66/60/41/1429666041.db2.gz ZOFPITNQDTXZCA-MGPUTAFESA-N 1 0 379.460 3.422 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]CC3(N4CCSCC4)CCCC3)C2=O)cc1 ZINC000179971712 1429668678 /nfs/dbraw/zinc/66/86/78/1429668678.db2.gz FGVPRYUHVOQLRD-HXUWFJFHSA-N 1 0 398.576 3.005 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000179973897 1429670728 /nfs/dbraw/zinc/67/07/28/1429670728.db2.gz WDBSMSBGEXTISN-DNVCBOLYSA-N 1 0 379.460 3.422 20 30 GGEDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000156340837 1423788348 /nfs/dbraw/zinc/78/83/48/1423788348.db2.gz XTNOYUIAHIFIKG-UHFFFAOYSA-N 1 0 393.896 3.090 20 30 GGEDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000156340972 1423788468 /nfs/dbraw/zinc/78/84/68/1423788468.db2.gz MYYJAPXTOCTSKN-UHFFFAOYSA-N 1 0 393.896 3.090 20 30 GGEDRO CC[NH+]=C(NCc1c(C)noc1C)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000156400007 1423805579 /nfs/dbraw/zinc/80/55/79/1423805579.db2.gz RYQQUKATYBGIGC-MRXNPFEDSA-N 1 0 375.904 3.279 20 30 GGEDRO CCOCCC1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000156452445 1423811913 /nfs/dbraw/zinc/81/19/13/1423811913.db2.gz MRXKUEMLTTZRPS-UHFFFAOYSA-N 1 0 398.551 3.372 20 30 GGEDRO C=CCC[C@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000156499384 1423819152 /nfs/dbraw/zinc/81/91/52/1423819152.db2.gz MOJVNNPEHSJSSU-NRFANRHFSA-N 1 0 393.535 3.340 20 30 GGEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000156590081 1423833251 /nfs/dbraw/zinc/83/32/51/1423833251.db2.gz CKSINSWRPLLUCM-UHFFFAOYSA-N 1 0 375.469 3.018 20 30 GGEDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000156750939 1423858905 /nfs/dbraw/zinc/85/89/05/1423858905.db2.gz NUMAXUFYEXCVOA-UHFFFAOYSA-N 1 0 389.443 3.072 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000156895841 1423882147 /nfs/dbraw/zinc/88/21/47/1423882147.db2.gz YYLZHVUJFUCSLO-NRFANRHFSA-N 1 0 396.535 3.267 20 30 GGEDRO N#Cc1ccc(NCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000156953146 1423892440 /nfs/dbraw/zinc/89/24/40/1423892440.db2.gz VMZPNYDMUZPCIO-GMAHTHKFSA-N 1 0 388.515 3.483 20 30 GGEDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156966319 1423894052 /nfs/dbraw/zinc/89/40/52/1423894052.db2.gz WBGXHTFIFWXUNB-XMSQKQJNSA-N 1 0 376.504 3.482 20 30 GGEDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156966772 1423894506 /nfs/dbraw/zinc/89/45/06/1423894506.db2.gz WBGXHTFIFWXUNB-AVRDEDQJSA-N 1 0 376.504 3.482 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156966640 1423894559 /nfs/dbraw/zinc/89/45/59/1423894559.db2.gz WBGXHTFIFWXUNB-GCJKJVERSA-N 1 0 376.504 3.482 20 30 GGEDRO Cc1cc(C)n(-c2ccccc2CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)n1 ZINC000156969046 1423894673 /nfs/dbraw/zinc/89/46/73/1423894673.db2.gz BWTPRZMSQADVDD-LJQANCHMSA-N 1 0 375.476 3.417 20 30 GGEDRO C[C@H]1C[C@H](N(C)CC(=O)NC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157002863 1423900311 /nfs/dbraw/zinc/90/03/11/1423900311.db2.gz YWGVMSJVCWWXEC-PZJWPPBQSA-N 1 0 382.552 3.314 20 30 GGEDRO Cc1oc(NC(=O)CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000157112654 1423928166 /nfs/dbraw/zinc/92/81/66/1423928166.db2.gz OOBZZXFLVTXTSX-LJQANCHMSA-N 1 0 380.492 3.303 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157169194 1423943390 /nfs/dbraw/zinc/94/33/90/1423943390.db2.gz FJVUBYMJISGDDQ-ICSRJNTNSA-N 1 0 386.515 3.411 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)CSCc1ccc(C#N)cc1 ZINC000157305402 1423980311 /nfs/dbraw/zinc/98/03/11/1423980311.db2.gz QHIMQPBCVPVYBV-UHFFFAOYSA-N 1 0 383.517 3.087 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000157339642 1423988500 /nfs/dbraw/zinc/98/85/00/1423988500.db2.gz MNSLWIMTZRWSCM-YLJYHZDGSA-N 1 0 382.508 3.083 20 30 GGEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157347703 1423991240 /nfs/dbraw/zinc/99/12/40/1423991240.db2.gz IXHHAWSQDMFFLC-HOTGVXAUSA-N 1 0 386.565 3.386 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c(OC)c1 ZINC000157442240 1424011854 /nfs/dbraw/zinc/01/18/54/1424011854.db2.gz UNIKAZGDZODNIR-LEWJYISDSA-N 1 0 388.552 3.114 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157470278 1424018544 /nfs/dbraw/zinc/01/85/44/1424018544.db2.gz KAADLHIVCYKCHS-SFHVURJKSA-N 1 0 399.535 3.449 20 30 GGEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)N(C)C3(C#N)CCCCC3)ccc2NC1=O ZINC000180014981 1429692488 /nfs/dbraw/zinc/69/24/88/1429692488.db2.gz ZKYCKXYRRFFPPI-CRAIPNDOSA-N 1 0 398.507 3.132 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)ccc2NC1=O ZINC000180015550 1429692779 /nfs/dbraw/zinc/69/27/79/1429692779.db2.gz MJKCAMMABJQKJK-SJCJKPOMSA-N 1 0 396.447 3.167 20 30 GGEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)ccc2NC1=O ZINC000180015534 1429692820 /nfs/dbraw/zinc/69/28/20/1429692820.db2.gz MJKCAMMABJQKJK-YVEFUNNKSA-N 1 0 396.447 3.167 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157549844 1424035698 /nfs/dbraw/zinc/03/56/98/1424035698.db2.gz LCLTYBJZNKGOMH-ICSRJNTNSA-N 1 0 382.435 3.032 20 30 GGEDRO Cc1cccc(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C#N ZINC000157560186 1424037615 /nfs/dbraw/zinc/03/76/15/1424037615.db2.gz GSGORUZRVQHOPQ-ZWKOTPCHSA-N 1 0 375.538 3.142 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000157583283 1424043017 /nfs/dbraw/zinc/04/30/17/1424043017.db2.gz ZDMHNCWIUPBORZ-UHFFFAOYSA-N 1 0 376.460 3.030 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000157631184 1424052702 /nfs/dbraw/zinc/05/27/02/1424052702.db2.gz WHLOAOJIBXAHJZ-UHFFFAOYSA-N 1 0 394.475 3.232 20 30 GGEDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180017370 1429694725 /nfs/dbraw/zinc/69/47/25/1429694725.db2.gz CQFQLRVRPADQJM-GOSISDBHSA-N 1 0 379.508 3.087 20 30 GGEDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180020625 1429697043 /nfs/dbraw/zinc/69/70/43/1429697043.db2.gz OSGIQZXEESXBGW-XLIONFOSSA-N 1 0 393.535 3.476 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000157726303 1424075003 /nfs/dbraw/zinc/07/50/03/1424075003.db2.gz LODXRHYRVSFZSH-GOSISDBHSA-N 1 0 382.504 3.270 20 30 GGEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000157739435 1424078121 /nfs/dbraw/zinc/07/81/21/1424078121.db2.gz VVQDTHVZWHIIJT-OAHLLOKOSA-N 1 0 384.867 3.466 20 30 GGEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000157744820 1424078569 /nfs/dbraw/zinc/07/85/69/1424078569.db2.gz MEHWFMMNRSKHJC-UHFFFAOYSA-N 1 0 384.867 3.466 20 30 GGEDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180019426 1429696543 /nfs/dbraw/zinc/69/65/43/1429696543.db2.gz LIJWYBLXHPVQBM-IBGZPJMESA-N 1 0 379.508 3.087 20 30 GGEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180019408 1429696745 /nfs/dbraw/zinc/69/67/45/1429696745.db2.gz LIJWYBLXHPVQBM-LJQANCHMSA-N 1 0 379.508 3.087 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000157772825 1424084559 /nfs/dbraw/zinc/08/45/59/1424084559.db2.gz AOCMAQZRXHCVGA-UHFFFAOYSA-N 1 0 397.450 3.435 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000157809199 1424093271 /nfs/dbraw/zinc/09/32/71/1424093271.db2.gz XTFBOBPCXIUAPK-UHFFFAOYSA-N 1 0 397.475 3.050 20 30 GGEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000157847881 1424103284 /nfs/dbraw/zinc/10/32/84/1424103284.db2.gz KGOQBHGBOMDPEM-UHFFFAOYSA-N 1 0 388.512 3.356 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000157911663 1424118386 /nfs/dbraw/zinc/11/83/86/1424118386.db2.gz KPVZQZFOGVUNCB-UHFFFAOYSA-N 1 0 377.444 3.361 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+](C)C)c1 ZINC000157920934 1424119833 /nfs/dbraw/zinc/11/98/33/1424119833.db2.gz NALSFDPBKPOUOG-HXUWFJFHSA-N 1 0 381.476 3.143 20 30 GGEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000157948784 1424126576 /nfs/dbraw/zinc/12/65/76/1424126576.db2.gz ADWSMEDOFJQNCW-UHFFFAOYSA-N 1 0 383.517 3.199 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@]2(CCOC2)C1 ZINC000158053554 1424150604 /nfs/dbraw/zinc/15/06/04/1424150604.db2.gz GPBOZDHQKZRQMB-SFHVURJKSA-N 1 0 392.341 3.169 20 30 GGEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158059167 1424153348 /nfs/dbraw/zinc/15/33/48/1424153348.db2.gz GGSFICNDWWOSMX-KRWDZBQOSA-N 1 0 382.426 3.421 20 30 GGEDRO CC[NH+]=C(NCCc1ccc(Br)s1)N1CC[C@]2(CCOC2)C1 ZINC000158064741 1424154066 /nfs/dbraw/zinc/15/40/66/1424154066.db2.gz UWBMTGSIPPCMJN-INIZCTEOSA-N 1 0 386.359 3.131 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000158142515 1424177773 /nfs/dbraw/zinc/17/77/73/1424177773.db2.gz FBOPZKVEDFYCFX-INIZCTEOSA-N 1 0 395.286 3.099 20 30 GGEDRO Cn1cc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)c(-c2ccc(C#N)cc2)n1 ZINC000180030875 1429704366 /nfs/dbraw/zinc/70/43/66/1429704366.db2.gz GEYIJEUKKGCFFD-UHFFFAOYSA-N 1 0 399.376 3.104 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000158188128 1424190043 /nfs/dbraw/zinc/19/00/43/1424190043.db2.gz MIKNDFFXDVUDAV-INIZCTEOSA-N 1 0 390.553 3.249 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000158187438 1424190086 /nfs/dbraw/zinc/19/00/86/1424190086.db2.gz XXHZKRHAYCDARI-WMZOPIPTSA-N 1 0 394.560 3.114 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(C)cc2OC[C@@H]2CCCO2)cc1 ZINC000158302434 1424221145 /nfs/dbraw/zinc/22/11/45/1424221145.db2.gz BSNCKPWDFPQJAD-NRFANRHFSA-N 1 0 397.519 3.208 20 30 GGEDRO C=CCC[C@H]([NH2+]Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)c1ccccc1 ZINC000180040827 1429709387 /nfs/dbraw/zinc/70/93/87/1429709387.db2.gz MTEAVHIZVAWSOQ-SFHVURJKSA-N 1 0 380.448 3.409 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000158334540 1424228973 /nfs/dbraw/zinc/22/89/73/1424228973.db2.gz BGWBCIRUPGBDHM-UHFFFAOYSA-N 1 0 392.503 3.406 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000180042050 1429710034 /nfs/dbraw/zinc/71/00/34/1429710034.db2.gz QDSSWCLUSKSUBU-MRXNPFEDSA-N 1 0 379.464 3.159 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000180041878 1429710066 /nfs/dbraw/zinc/71/00/66/1429710066.db2.gz OWJRKBLHGMJTTA-MRXNPFEDSA-N 1 0 382.464 3.240 20 30 GGEDRO CCC(CC)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCOCC1 ZINC000180047622 1429712006 /nfs/dbraw/zinc/71/20/06/1429712006.db2.gz XGUNNZYABDYKRZ-JOCHJYFZSA-N 1 0 395.551 3.185 20 30 GGEDRO Cn1cc(C[NH2+]CCc2ccc(-n3cccn3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180046608 1429712131 /nfs/dbraw/zinc/71/21/31/1429712131.db2.gz GARGLYHOPQJJNZ-UHFFFAOYSA-N 1 0 382.471 3.477 20 30 GGEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc(OCC#N)c1 ZINC000158509045 1424275100 /nfs/dbraw/zinc/27/51/00/1424275100.db2.gz BRKRGMHOGSQUSZ-UHFFFAOYSA-N 1 0 380.492 3.299 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN(C)CC2CC[NH+](C)CC2)c1=S ZINC000158715024 1424324994 /nfs/dbraw/zinc/32/49/94/1424324994.db2.gz CUQGURALICYANK-UHFFFAOYSA-N 1 0 386.569 3.283 20 30 GGEDRO CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCN(c2cccs2)CC1 ZINC000158914873 1424371778 /nfs/dbraw/zinc/37/17/78/1424371778.db2.gz AEORARUDUCKWIF-AWEZNQCLSA-N 1 0 375.542 3.244 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159323339 1424484944 /nfs/dbraw/zinc/48/49/44/1424484944.db2.gz HDEGPQAZIDZFHO-VDEHWKIFSA-N 1 0 396.579 3.416 20 30 GGEDRO C=CCNC(=O)[C@H](C)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159351579 1424493017 /nfs/dbraw/zinc/49/30/17/1424493017.db2.gz CRKRSEDXGLPREX-HNNXBMFYSA-N 1 0 383.458 3.292 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc(F)c(F)cc1F ZINC000159517979 1424509692 /nfs/dbraw/zinc/50/96/92/1424509692.db2.gz MRFBHQXKYIGQKW-UHFFFAOYSA-N 1 0 375.394 3.108 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000159658817 1424521191 /nfs/dbraw/zinc/52/11/91/1424521191.db2.gz GZNQRGVYTKPAOD-PXNSSMCTSA-N 1 0 398.507 3.039 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000159705788 1424525547 /nfs/dbraw/zinc/52/55/47/1424525547.db2.gz HNDAGVFKCNBCPM-KEYYUXOJSA-N 1 0 375.538 3.166 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1C#N ZINC000159787013 1424537168 /nfs/dbraw/zinc/53/71/68/1424537168.db2.gz GSVWOPZLRYFSIE-UZLBHIALSA-N 1 0 398.482 3.136 20 30 GGEDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000159872848 1424546404 /nfs/dbraw/zinc/54/64/04/1424546404.db2.gz XVPAEIHIXPYIFV-CVEARBPZSA-N 1 0 389.459 3.024 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000159949607 1424555382 /nfs/dbraw/zinc/55/53/82/1424555382.db2.gz ASFUCNNZLRPBGO-GOEBONIOSA-N 1 0 384.509 3.258 20 30 GGEDRO C[NH+]=C(NCCNc1nc2ccccc2s1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000159980535 1424558915 /nfs/dbraw/zinc/55/89/15/1424558915.db2.gz JWZPFVSIEXLXQY-RDJZCZTQSA-N 1 0 397.552 3.063 20 30 GGEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000160041127 1424565850 /nfs/dbraw/zinc/56/58/50/1424565850.db2.gz XOBKJLRLUDUSAU-GCJKJVERSA-N 1 0 385.556 3.063 20 30 GGEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000160046105 1424566705 /nfs/dbraw/zinc/56/67/05/1424566705.db2.gz YQZIAUCZRKSSTO-INIZCTEOSA-N 1 0 390.409 3.354 20 30 GGEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000160046236 1424566962 /nfs/dbraw/zinc/56/69/62/1424566962.db2.gz YQZIAUCZRKSSTO-MRXNPFEDSA-N 1 0 390.409 3.354 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000180096500 1429735858 /nfs/dbraw/zinc/73/58/58/1429735858.db2.gz LWRLXUGRVWBNAW-INIZCTEOSA-N 1 0 382.464 3.240 20 30 GGEDRO N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000160135434 1424577835 /nfs/dbraw/zinc/57/78/35/1424577835.db2.gz ZONZDOYIGXWJCR-QGZVFWFLSA-N 1 0 393.509 3.015 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(c4ccccn4)CC3)C2)c(F)c1 ZINC000160168727 1424582201 /nfs/dbraw/zinc/58/22/01/1424582201.db2.gz FEYAFEHNKLFQKY-IBGZPJMESA-N 1 0 379.483 3.320 20 30 GGEDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160175406 1424583564 /nfs/dbraw/zinc/58/35/64/1424583564.db2.gz OMQCBROKBLCGSY-PKOBYXMFSA-N 1 0 386.515 3.437 20 30 GGEDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160175506 1424583576 /nfs/dbraw/zinc/58/35/76/1424583576.db2.gz OMQCBROKBLCGSY-IEBWSBKVSA-N 1 0 386.515 3.437 20 30 GGEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000160198481 1424586527 /nfs/dbraw/zinc/58/65/27/1424586527.db2.gz VIDZMYMAPPNQTL-FQEVSTJZSA-N 1 0 389.496 3.200 20 30 GGEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)cc1 ZINC000160245861 1424589758 /nfs/dbraw/zinc/58/97/58/1424589758.db2.gz LCMKMMGNWFDGIT-UHFFFAOYSA-N 1 0 389.496 3.159 20 30 GGEDRO C#CCOc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000160377355 1424599439 /nfs/dbraw/zinc/59/94/39/1424599439.db2.gz XFTYETMBBDJKTO-NRFANRHFSA-N 1 0 390.483 3.417 20 30 GGEDRO Cc1ccc(C(=O)NCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1F ZINC000160641937 1424621949 /nfs/dbraw/zinc/62/19/49/1424621949.db2.gz PJMALGDZDWDKHC-UHFFFAOYSA-N 1 0 398.360 3.189 20 30 GGEDRO Cc1cc2c(cc1NC(=O)N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)OCO2 ZINC000180107979 1429740377 /nfs/dbraw/zinc/74/03/77/1429740377.db2.gz VIMGGGANNLZNAS-UHFFFAOYSA-N 1 0 392.459 3.335 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160665077 1424624651 /nfs/dbraw/zinc/62/46/51/1424624651.db2.gz FCBZPXJQFIXQSQ-SJBKTWHCSA-N 1 0 397.567 3.231 20 30 GGEDRO Cc1cccc(OC[C@H](O)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160693035 1424627068 /nfs/dbraw/zinc/62/70/68/1424627068.db2.gz GXBUZATXUUQBPG-CYBMUJFWSA-N 1 0 383.370 3.060 20 30 GGEDRO CN(CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C(=O)OC(C)(C)C ZINC000160710354 1424629015 /nfs/dbraw/zinc/62/90/15/1424629015.db2.gz IGGCNJRRWNHRIJ-UHFFFAOYSA-N 1 0 376.379 3.179 20 30 GGEDRO [NH2+]=C(NCC[S@](=O)Cc1ccccc1)Nc1ccccc1OC(F)(F)F ZINC000160730214 1424630423 /nfs/dbraw/zinc/63/04/23/1424630423.db2.gz NLKJFCOMIQHKDB-AREMUKBSSA-N 1 0 385.411 3.261 20 30 GGEDRO [NH2+]=C(NCC[S@@](=O)Cc1ccccc1)Nc1ccccc1OC(F)(F)F ZINC000160730316 1424630868 /nfs/dbraw/zinc/63/08/68/1424630868.db2.gz NLKJFCOMIQHKDB-SANMLTNESA-N 1 0 385.411 3.261 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C(C)C ZINC000160834259 1424637946 /nfs/dbraw/zinc/63/79/46/1424637946.db2.gz SFFKLQOFIWMARN-IBGZPJMESA-N 1 0 382.512 3.302 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2cccnc21 ZINC000160874805 1424640539 /nfs/dbraw/zinc/64/05/39/1424640539.db2.gz ADENCAZLKQEONO-UHFFFAOYSA-N 1 0 376.435 3.450 20 30 GGEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000160940832 1424646330 /nfs/dbraw/zinc/64/63/30/1424646330.db2.gz SRFJGDKYZAPABZ-SFHVURJKSA-N 1 0 390.491 3.235 20 30 GGEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)Cc3cccc(C#N)c3)CC2)CC1 ZINC000160960762 1424647686 /nfs/dbraw/zinc/64/76/86/1424647686.db2.gz PZOMKFXTKHEFNU-UHFFFAOYSA-N 1 0 375.538 3.021 20 30 GGEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(F)cc3C#N)CC2)CC1 ZINC000160959744 1424647767 /nfs/dbraw/zinc/64/77/67/1424647767.db2.gz ATYVLKKXJMGHRP-UHFFFAOYSA-N 1 0 379.501 3.019 20 30 GGEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(C#N)cc3F)CC2)CC1 ZINC000160970052 1424648881 /nfs/dbraw/zinc/64/88/81/1424648881.db2.gz PGPFOAFNAOXUQS-UHFFFAOYSA-N 1 0 379.501 3.019 20 30 GGEDRO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)s2)cc1 ZINC000180118094 1429745216 /nfs/dbraw/zinc/74/52/16/1429745216.db2.gz DFFVSQLOMZREFN-IBGZPJMESA-N 1 0 396.516 3.187 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000161195895 1424666762 /nfs/dbraw/zinc/66/67/62/1424666762.db2.gz CWVZOWXJODFWJM-IBGZPJMESA-N 1 0 384.568 3.466 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nnc(C)n1CCC ZINC000161267398 1424671971 /nfs/dbraw/zinc/67/19/71/1424671971.db2.gz LVQSODQULMFNRS-UHFFFAOYSA-N 1 0 389.573 3.095 20 30 GGEDRO C[C@H]1C[C@H](N(C)C(=O)CNc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000161486528 1424694879 /nfs/dbraw/zinc/69/48/79/1424694879.db2.gz ZJGNDNBDMJJGPO-PGRDOPGGSA-N 1 0 376.504 3.482 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC[C@@H]21 ZINC000161495897 1424695635 /nfs/dbraw/zinc/69/56/35/1424695635.db2.gz VGVWSOSDILHQHS-BBRMVZONSA-N 1 0 396.413 3.447 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CNc1ccc(C#N)cc1 ZINC000161592176 1424719813 /nfs/dbraw/zinc/71/98/13/1424719813.db2.gz WMRXNJCVGOUPRV-OAQYLSRUSA-N 1 0 392.503 3.189 20 30 GGEDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161657113 1424733897 /nfs/dbraw/zinc/73/38/97/1424733897.db2.gz HXYLDSZLUCOBSP-QGZVFWFLSA-N 1 0 377.492 3.237 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(CCc4ccccc4)CC3)CC2)nc1 ZINC000161682361 1424739546 /nfs/dbraw/zinc/73/95/46/1424739546.db2.gz SXCCPIKHVANOCU-UHFFFAOYSA-N 1 0 389.547 3.219 20 30 GGEDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161692115 1424741993 /nfs/dbraw/zinc/74/19/93/1424741993.db2.gz NKEROVOEZPVSMH-INIZCTEOSA-N 1 0 378.476 3.262 20 30 GGEDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000161717234 1424749729 /nfs/dbraw/zinc/74/97/29/1424749729.db2.gz CEWDDWXLMFWXAK-AVRDEDQJSA-N 1 0 375.520 3.347 20 30 GGEDRO Cn1cc(C[NH2+]Cc2ccccc2N2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180139780 1429754999 /nfs/dbraw/zinc/75/49/99/1429754999.db2.gz ILBSPFFVIDTWJK-UHFFFAOYSA-N 1 0 387.487 3.085 20 30 GGEDRO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180141925 1429756790 /nfs/dbraw/zinc/75/67/90/1429756790.db2.gz IPWBZWCFQOIRBN-UHFFFAOYSA-N 1 0 387.487 3.097 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)CC1 ZINC000162296763 1424835686 /nfs/dbraw/zinc/83/56/86/1424835686.db2.gz SJPMOTJZVPWUQO-NRFANRHFSA-N 1 0 382.529 3.156 20 30 GGEDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162339762 1424839697 /nfs/dbraw/zinc/83/96/97/1424839697.db2.gz PONWKNTUTALUHN-GJZGRUSLSA-N 1 0 375.538 3.453 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1C#N ZINC000162631219 1424873783 /nfs/dbraw/zinc/87/37/83/1424873783.db2.gz CLLBBMNNHCNBIQ-LJQANCHMSA-N 1 0 398.482 3.279 20 30 GGEDRO COC(=O)[C@H](c1ccccc1C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000162724537 1424885213 /nfs/dbraw/zinc/88/52/13/1424885213.db2.gz KUDLCSSRSVXKFY-QFIPXVFZSA-N 1 0 377.488 3.289 20 30 GGEDRO CC(=O)Nc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1F ZINC000162769543 1424889065 /nfs/dbraw/zinc/88/90/65/1424889065.db2.gz XCMISBYJMNJOMJ-UHFFFAOYSA-N 1 0 397.454 3.251 20 30 GGEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000162782223 1424890007 /nfs/dbraw/zinc/89/00/07/1424890007.db2.gz XTTBNAFMAZJDAU-INIZCTEOSA-N 1 0 390.553 3.066 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000162803591 1424891814 /nfs/dbraw/zinc/89/18/14/1424891814.db2.gz OAIPDDWRKHMGLY-UHFFFAOYSA-N 1 0 391.475 3.039 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000162850134 1424896611 /nfs/dbraw/zinc/89/66/11/1424896611.db2.gz CSWVFLZBMGOIRJ-GOSISDBHSA-N 1 0 384.480 3.147 20 30 GGEDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180157211 1429769609 /nfs/dbraw/zinc/76/96/09/1429769609.db2.gz KBONXEQXDMWVCJ-NRFANRHFSA-N 1 0 376.460 3.133 20 30 GGEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)Cc2ccccc2)nnc1-c1ccccn1 ZINC000163847128 1425050140 /nfs/dbraw/zinc/05/01/40/1425050140.db2.gz RWAHXGLGNQVTSA-SFHVURJKSA-N 1 0 395.532 3.111 20 30 GGEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000163909896 1425056937 /nfs/dbraw/zinc/05/69/37/1425056937.db2.gz BIAHYUAMHTUUSI-UHFFFAOYSA-N 1 0 380.488 3.477 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000163921151 1425057507 /nfs/dbraw/zinc/05/75/07/1425057507.db2.gz PFJASWGCMFTJKB-NRFANRHFSA-N 1 0 388.552 3.114 20 30 GGEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000164279320 1425094419 /nfs/dbraw/zinc/09/44/19/1425094419.db2.gz SSXBNYAXISWYLF-YLJYHZDGSA-N 1 0 379.460 3.287 20 30 GGEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000164312303 1425097143 /nfs/dbraw/zinc/09/71/43/1425097143.db2.gz MZHAAWYJGKKCCS-MJGOQNOKSA-N 1 0 388.943 3.454 20 30 GGEDRO C=CCc1cc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c(O)c(OC)c1 ZINC000164337662 1425100690 /nfs/dbraw/zinc/10/06/90/1425100690.db2.gz XVBLAQMYYMXGFL-UHFFFAOYSA-N 1 0 387.911 3.496 20 30 GGEDRO COc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164485668 1425116994 /nfs/dbraw/zinc/11/69/94/1425116994.db2.gz LIPBBZCQVBDCBF-OAHLLOKOSA-N 1 0 395.507 3.071 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1Cl ZINC000164496716 1425117791 /nfs/dbraw/zinc/11/77/91/1425117791.db2.gz GRTMBBXHTQNNFP-UHFFFAOYSA-N 1 0 396.878 3.304 20 30 GGEDRO COc1cccc(OCCN2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000164512904 1425119407 /nfs/dbraw/zinc/11/94/07/1425119407.db2.gz WNNXERYIZDSTLJ-UHFFFAOYSA-N 1 0 395.503 3.032 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(OC(C)(C)C)CC2)c(OC)c1 ZINC000164905084 1425150293 /nfs/dbraw/zinc/15/02/93/1425150293.db2.gz MXBMFQXJTXVORR-SFHVURJKSA-N 1 0 377.525 3.443 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000165065307 1425161086 /nfs/dbraw/zinc/16/10/86/1425161086.db2.gz SITBCBAEQRZXFX-CTNGQTDRSA-N 1 0 396.535 3.449 20 30 GGEDRO CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000165540259 1425184118 /nfs/dbraw/zinc/18/41/18/1425184118.db2.gz PKORVZJBMQNACN-RTWAWAEBSA-N 1 0 383.540 3.359 20 30 GGEDRO COC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000165691325 1425193076 /nfs/dbraw/zinc/19/30/76/1425193076.db2.gz NRLXHGRAIZSHDZ-CQSZACIVSA-N 1 0 389.521 3.245 20 30 GGEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000166340097 1425210955 /nfs/dbraw/zinc/21/09/55/1425210955.db2.gz UFXRGIQJIATFFU-UHFFFAOYSA-N 1 0 390.409 3.481 20 30 GGEDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000170652714 1425278875 /nfs/dbraw/zinc/27/88/75/1425278875.db2.gz RHANHOFZDYNNSM-GOSISDBHSA-N 1 0 386.496 3.218 20 30 GGEDRO Cc1nn(-c2ccccc2)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000170682425 1425295361 /nfs/dbraw/zinc/29/53/61/1425295361.db2.gz HGFIHHFKSPAAMA-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccccn2)s1 ZINC000170781494 1425341035 /nfs/dbraw/zinc/34/10/35/1425341035.db2.gz XUPLKUARHXRVAD-UHFFFAOYSA-N 1 0 391.500 3.281 20 30 GGEDRO N#CCOc1ccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000170804343 1425349233 /nfs/dbraw/zinc/34/92/33/1425349233.db2.gz XUQUVACTWDVRKM-NRFANRHFSA-N 1 0 378.476 3.225 20 30 GGEDRO N#Cc1ccc(SCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000170868384 1425374053 /nfs/dbraw/zinc/37/40/53/1425374053.db2.gz VHMGDLGSEMZUCS-UHFFFAOYSA-N 1 0 379.529 3.474 20 30 GGEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)CSc3ccc(C#N)cc3)cc2)CC1 ZINC000170869875 1425375109 /nfs/dbraw/zinc/37/51/09/1425375109.db2.gz SOZGEBXSVIYYBW-UHFFFAOYSA-N 1 0 380.517 3.431 20 30 GGEDRO CCOCCCNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000170904001 1425386801 /nfs/dbraw/zinc/38/68/01/1425386801.db2.gz YDGDQJHFZXIBJD-IBGZPJMESA-N 1 0 386.565 3.178 20 30 GGEDRO CCN(CC)c1ccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)cc1 ZINC000170905799 1425387501 /nfs/dbraw/zinc/38/75/01/1425387501.db2.gz YWXXARQLIZPJBU-UHFFFAOYSA-N 1 0 384.524 3.197 20 30 GGEDRO Cc1ccccc1NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000170905867 1425387712 /nfs/dbraw/zinc/38/77/12/1425387712.db2.gz KNGYWLGFABIVGC-UHFFFAOYSA-N 1 0 386.521 3.096 20 30 GGEDRO CCOc1cc(CNC(=[NH2+])NCc2ccccc2OC)ccc1OC(F)F ZINC000170911947 1425388237 /nfs/dbraw/zinc/38/82/37/1425388237.db2.gz JRLAIRUVZPSCHR-UHFFFAOYSA-N 1 0 379.407 3.300 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(COCC(F)(F)F)cc1 ZINC000170909601 1425388309 /nfs/dbraw/zinc/38/83/09/1425388309.db2.gz VOKGSZYZJUIPFY-UHFFFAOYSA-N 1 0 381.398 3.379 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1OC ZINC000170909092 1425388639 /nfs/dbraw/zinc/38/86/39/1425388639.db2.gz YPCVJSMPBZWVQP-SIKLNZKXSA-N 1 0 397.519 3.319 20 30 GGEDRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])Nc2ccccc2C)s1 ZINC000170915085 1425389247 /nfs/dbraw/zinc/38/92/47/1425389247.db2.gz CAPUAIIWKDKZOY-UHFFFAOYSA-N 1 0 394.566 3.056 20 30 GGEDRO CC1(C)CN([C@H](CNC(=[NH2+])Nc2ccccn2)c2ccc(Cl)cc2)CCO1 ZINC000170914975 1425389371 /nfs/dbraw/zinc/38/93/71/1425389371.db2.gz QVJRKPVDEVWKPS-QGZVFWFLSA-N 1 0 387.915 3.314 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000170988467 1425425164 /nfs/dbraw/zinc/42/51/64/1425425164.db2.gz XPQPGEPWPCNEEO-JOCHJYFZSA-N 1 0 381.451 3.472 20 30 GGEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000171024492 1425443477 /nfs/dbraw/zinc/44/34/77/1425443477.db2.gz GYSJYIIAIYBNSF-OAQYLSRUSA-N 1 0 388.471 3.426 20 30 GGEDRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4cccc(C#N)c4)CC3)cc2NC1=O ZINC000171066078 1425464036 /nfs/dbraw/zinc/46/40/36/1425464036.db2.gz TUVPTGWPARAULE-HNNXBMFYSA-N 1 0 389.455 3.373 20 30 GGEDRO N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000171117164 1425491518 /nfs/dbraw/zinc/49/15/18/1425491518.db2.gz KFWJXOWWLHDDMF-UHFFFAOYSA-N 1 0 390.487 3.303 20 30 GGEDRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000171148635 1425508385 /nfs/dbraw/zinc/50/83/85/1425508385.db2.gz WDVGONYMCOQLHK-UHFFFAOYSA-N 1 0 383.496 3.377 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NCCc1cccnc1)[n+]1ccccc1 ZINC000171208799 1425540775 /nfs/dbraw/zinc/54/07/75/1425540775.db2.gz XFDWFRXBQOBLBC-UHFFFAOYSA-O 1 0 392.504 3.149 20 30 GGEDRO N#Cc1ccc(CN2C(=O)CN(C[N@H+](CC3CC3)C3CCCCC3)C2=O)cc1 ZINC000171214556 1425543345 /nfs/dbraw/zinc/54/33/45/1425543345.db2.gz ZJACGBDUURAWML-UHFFFAOYSA-N 1 0 380.492 3.325 20 30 GGEDRO C[NH+](C)CCOc1ccccc1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171322377 1425615857 /nfs/dbraw/zinc/61/58/57/1425615857.db2.gz BIUVDTIDKGHXNP-UHFFFAOYSA-N 1 0 392.503 3.373 20 30 GGEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3ccc(OCC#N)cc3)C2)CC1 ZINC000171370170 1425644678 /nfs/dbraw/zinc/64/46/78/1425644678.db2.gz OGVROYZFWNVACG-FQEVSTJZSA-N 1 0 384.524 3.242 20 30 GGEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NCCCCC#N)CC2)c1C ZINC000171448182 1425683066 /nfs/dbraw/zinc/68/30/66/1425683066.db2.gz JDXKSSTUOWVODU-UHFFFAOYSA-N 1 0 387.528 3.007 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000171452428 1425684591 /nfs/dbraw/zinc/68/45/91/1425684591.db2.gz DRUTYZIHSVANDA-NRFANRHFSA-N 1 0 375.472 3.448 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1 ZINC000171539629 1425723894 /nfs/dbraw/zinc/72/38/94/1425723894.db2.gz GOOJMJBGXDJPIA-UHFFFAOYSA-N 1 0 375.473 3.040 20 30 GGEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171604563 1425756502 /nfs/dbraw/zinc/75/65/02/1425756502.db2.gz DHQWVGREFPOZIS-SFHVURJKSA-N 1 0 379.426 3.327 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000171621026 1425761595 /nfs/dbraw/zinc/76/15/95/1425761595.db2.gz QZOXGKFZJKYFNX-UHFFFAOYSA-N 1 0 377.488 3.034 20 30 GGEDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(C#N)ccc3C)cc2F)CC1 ZINC000171637318 1425768311 /nfs/dbraw/zinc/76/83/11/1425768311.db2.gz SHSCFJGKIVKRGY-UHFFFAOYSA-N 1 0 395.482 3.469 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC000171641154 1425769633 /nfs/dbraw/zinc/76/96/33/1425769633.db2.gz YOJKMVOTHRZGPE-UHFFFAOYSA-N 1 0 390.381 3.133 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1 ZINC000171644155 1425770522 /nfs/dbraw/zinc/77/05/22/1425770522.db2.gz NXMOGYGDYGLAAI-UHFFFAOYSA-N 1 0 375.473 3.040 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1cnn(C)c1 ZINC000171655423 1425776875 /nfs/dbraw/zinc/77/68/75/1425776875.db2.gz ZJLYVDGUPLJQFA-AWEZNQCLSA-N 1 0 385.537 3.329 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000171679963 1425787618 /nfs/dbraw/zinc/78/76/18/1425787618.db2.gz MPVWVEIBQACUTH-HZPDHXFCSA-N 1 0 390.503 3.211 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC([NH2+]C(C)C)CC2)c1C#N ZINC000171690823 1425790022 /nfs/dbraw/zinc/79/00/22/1425790022.db2.gz VPUGENCPGAWOTB-UHFFFAOYSA-N 1 0 397.523 3.019 20 30 GGEDRO COc1cccc([C@@H](C)N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000171705621 1425795388 /nfs/dbraw/zinc/79/53/88/1425795388.db2.gz QSYSFYGHXVIENX-GOSISDBHSA-N 1 0 392.503 3.274 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000171705671 1425795736 /nfs/dbraw/zinc/79/57/36/1425795736.db2.gz UPMIISLQDVTHDN-UHFFFAOYSA-N 1 0 399.535 3.219 20 30 GGEDRO COc1cccc([C@@H](C)[NH+]2CCN(CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000171706571 1425796688 /nfs/dbraw/zinc/79/66/88/1425796688.db2.gz JLMDSQJWYWTCTD-MRXNPFEDSA-N 1 0 398.532 3.336 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCCCC)c(OC)c2)CC1 ZINC000171709863 1425799605 /nfs/dbraw/zinc/79/96/05/1425799605.db2.gz JXEFXFQZGZTYPC-UHFFFAOYSA-N 1 0 375.513 3.324 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(C)c2NC(=O)c2ccncc2)CC1 ZINC000171714568 1425800485 /nfs/dbraw/zinc/80/04/85/1425800485.db2.gz OMGDJSUDGVNCOO-UHFFFAOYSA-N 1 0 378.476 3.023 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000171718856 1425802142 /nfs/dbraw/zinc/80/21/42/1425802142.db2.gz KICVHVXDCHHTHB-UHFFFAOYSA-N 1 0 383.439 3.136 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)CC1 ZINC000171719556 1425802615 /nfs/dbraw/zinc/80/26/15/1425802615.db2.gz GNPXDTMBTJWCED-JXMROGBWSA-N 1 0 377.488 3.440 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)CC1 ZINC000171719751 1425802733 /nfs/dbraw/zinc/80/27/33/1425802733.db2.gz LOYFNMNOXDTQAR-UHFFFAOYSA-N 1 0 376.522 3.135 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000171719947 1425802808 /nfs/dbraw/zinc/80/28/08/1425802808.db2.gz RAWOZDXZPCWPFD-UHFFFAOYSA-N 1 0 378.904 3.008 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)CC1 ZINC000171722284 1425803402 /nfs/dbraw/zinc/80/34/02/1425803402.db2.gz FXCNESDECUXWCA-UHFFFAOYSA-N 1 0 391.519 3.199 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CC1 ZINC000171720726 1425803537 /nfs/dbraw/zinc/80/35/37/1425803537.db2.gz XETNJTBWZRPSHH-UHFFFAOYSA-N 1 0 393.516 3.376 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1 ZINC000171724898 1425804024 /nfs/dbraw/zinc/80/40/24/1425804024.db2.gz BFOLGHVHWQDWIT-UHFFFAOYSA-N 1 0 376.497 3.263 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000171725164 1425804071 /nfs/dbraw/zinc/80/40/71/1425804071.db2.gz JVHFZSPKYMNWPK-LJQANCHMSA-N 1 0 391.943 3.251 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000171725160 1425804151 /nfs/dbraw/zinc/80/41/51/1425804151.db2.gz JVHFZSPKYMNWPK-IBGZPJMESA-N 1 0 391.943 3.251 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000171738104 1425807408 /nfs/dbraw/zinc/80/74/08/1425807408.db2.gz DRNXMJWILCMANM-UHFFFAOYSA-N 1 0 390.959 3.208 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(CCC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000171738706 1425807976 /nfs/dbraw/zinc/80/79/76/1425807976.db2.gz XFENJMVTGNHFHT-SFHVURJKSA-N 1 0 394.560 3.068 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2OC)C[C@@H]2CCCO2)CC1 ZINC000171741648 1425808610 /nfs/dbraw/zinc/80/86/10/1425808610.db2.gz PRQQXACAWHKMDV-FQEVSTJZSA-N 1 0 387.524 3.036 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCCC)c(Cl)c2)CC1 ZINC000171740440 1425808755 /nfs/dbraw/zinc/80/87/55/1425808755.db2.gz WHAIKPDTVZOMGY-UHFFFAOYSA-N 1 0 378.904 3.252 20 30 GGEDRO CC1(C)CN(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000171766871 1425814734 /nfs/dbraw/zinc/81/47/34/1425814734.db2.gz BILABHFDRJIUHZ-UHFFFAOYSA-N 1 0 379.504 3.338 20 30 GGEDRO COc1cc(Br)cc(C[NH2+]Cc2ccc(OCC#N)cc2)c1O ZINC000171769167 1425815675 /nfs/dbraw/zinc/81/56/75/1425815675.db2.gz STBFTCNJGYNJQY-UHFFFAOYSA-N 1 0 377.238 3.355 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000171855744 1425836357 /nfs/dbraw/zinc/83/63/57/1425836357.db2.gz YZBRDQNXKQOAHN-UHFFFAOYSA-N 1 0 392.503 3.498 20 30 GGEDRO N#Cc1ccccc1N1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000171855712 1425836373 /nfs/dbraw/zinc/83/63/73/1425836373.db2.gz KSBGAQTVGGPSIZ-UHFFFAOYSA-N 1 0 397.567 3.436 20 30 GGEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000171890954 1425845139 /nfs/dbraw/zinc/84/51/39/1425845139.db2.gz UFHNXXSKSHQRLU-FQEVSTJZSA-N 1 0 389.459 3.122 20 30 GGEDRO CC(C)COc1ncccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000171945057 1425858716 /nfs/dbraw/zinc/85/87/16/1425858716.db2.gz PFTUNQDBYDWVJO-UHFFFAOYSA-N 1 0 380.492 3.192 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(CCC#N)CC(C)(C)C)CC1 ZINC000171946246 1425859385 /nfs/dbraw/zinc/85/93/85/1425859385.db2.gz WNQKLGBMKDHHNI-UHFFFAOYSA-N 1 0 384.568 3.337 20 30 GGEDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000171956155 1425861107 /nfs/dbraw/zinc/86/11/07/1425861107.db2.gz UCGZUGWXBNJBLU-CYBMUJFWSA-N 1 0 394.903 3.385 20 30 GGEDRO C[C@H]([NH2+]C1(CNC(=O)c2cccc(CC#N)c2)CCOCC1)c1ccccc1 ZINC000172061809 1425886062 /nfs/dbraw/zinc/88/60/62/1425886062.db2.gz UDSSFMNYQZSPIN-SFHVURJKSA-N 1 0 377.488 3.382 20 30 GGEDRO C=CCc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc(OC)c1OC ZINC000172115105 1425900811 /nfs/dbraw/zinc/90/08/11/1425900811.db2.gz IRUDJSKORUMUTK-UHFFFAOYSA-N 1 0 395.503 3.222 20 30 GGEDRO Cc1ccc(COc2ccc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)cc2)cc1 ZINC000172124358 1425906607 /nfs/dbraw/zinc/90/66/07/1425906607.db2.gz QJCMAUKOOKVBAC-FCQUAONHSA-N 1 0 391.471 3.190 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)c(O)c1 ZINC000172127516 1425907781 /nfs/dbraw/zinc/90/77/81/1425907781.db2.gz WKFSCIRORHLNQB-MNQDVBFDSA-N 1 0 395.503 3.467 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2cccc(CC#N)c2)cc1 ZINC000172142930 1425915426 /nfs/dbraw/zinc/91/54/26/1425915426.db2.gz CYRXQDZZLAWZEY-UHFFFAOYSA-N 1 0 379.460 3.043 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H](C)C1 ZINC000172166557 1425929575 /nfs/dbraw/zinc/92/95/75/1425929575.db2.gz UVKGWELAFUFYRL-GCJKJVERSA-N 1 0 398.551 3.369 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000172202567 1425945203 /nfs/dbraw/zinc/94/52/03/1425945203.db2.gz XYXJFNUYWOKVLB-HXUWFJFHSA-N 1 0 378.476 3.053 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000172226398 1425954853 /nfs/dbraw/zinc/95/48/53/1425954853.db2.gz LIFDBBXRCILZCN-ICSRJNTNSA-N 1 0 384.524 3.385 20 30 GGEDRO Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1C#N ZINC000172230123 1425956832 /nfs/dbraw/zinc/95/68/32/1425956832.db2.gz WFTFAVDRSCYTPV-QGZVFWFLSA-N 1 0 388.393 3.285 20 30 GGEDRO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1C#N ZINC000172230127 1425956888 /nfs/dbraw/zinc/95/68/88/1425956888.db2.gz WFTFAVDRSCYTPV-KRWDZBQOSA-N 1 0 388.393 3.285 20 30 GGEDRO C=CCSc1nc2ccccc2n1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000172407418 1426028707 /nfs/dbraw/zinc/02/87/07/1426028707.db2.gz YWPBMUKGYUWLHE-UHFFFAOYSA-N 1 0 386.565 3.316 20 30 GGEDRO N#CCN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000172434179 1426042315 /nfs/dbraw/zinc/04/23/15/1426042315.db2.gz ZICBFCQSFPGVKV-HXUWFJFHSA-N 1 0 388.943 3.361 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172523049 1426071010 /nfs/dbraw/zinc/07/10/10/1426071010.db2.gz FOVQAEPWTXNGCV-FQEVSTJZSA-N 1 0 386.565 3.451 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1cnn(C)c1)C(=S)N[C@@H]1CCCC[C@@H]1C ZINC000172580287 1426096014 /nfs/dbraw/zinc/09/60/14/1426096014.db2.gz QMLUEDQZARKCPA-MAUKXSAKSA-O 1 0 385.557 3.377 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1cnn(C)c1)C(=S)N[C@@H]1CCCC[C@H]1C ZINC000172580296 1426096323 /nfs/dbraw/zinc/09/63/23/1426096323.db2.gz QMLUEDQZARKCPA-CRAIPNDOSA-O 1 0 385.557 3.377 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccnc2Oc2cccc(OC)c2)CC1 ZINC000172607219 1426111544 /nfs/dbraw/zinc/11/15/44/1426111544.db2.gz SPVRJRRQGINQOQ-UHFFFAOYSA-N 1 0 396.491 3.332 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000172648647 1426126289 /nfs/dbraw/zinc/12/62/89/1426126289.db2.gz RTOYILLSLYDGJC-SFHVURJKSA-N 1 0 379.460 3.296 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3C)c(C)c2)CC1 ZINC000172675116 1426138273 /nfs/dbraw/zinc/13/82/73/1426138273.db2.gz YAYHBZNUAAWZOG-UHFFFAOYSA-N 1 0 398.532 3.118 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172676025 1426139192 /nfs/dbraw/zinc/13/91/92/1426139192.db2.gz ZHDIHQKHXDHNSX-UHFFFAOYSA-N 1 0 383.517 3.152 20 30 GGEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000172759764 1426175093 /nfs/dbraw/zinc/17/50/93/1426175093.db2.gz WQFLHYOEARLDQJ-CQSZACIVSA-N 1 0 388.874 3.448 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000173121968 1426351673 /nfs/dbraw/zinc/35/16/73/1426351673.db2.gz MACITSQIJUTDNO-DLBZAZTESA-N 1 0 390.553 3.439 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000173121977 1426351994 /nfs/dbraw/zinc/35/19/94/1426351994.db2.gz MACITSQIJUTDNO-IAGOWNOFSA-N 1 0 390.553 3.439 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1C#N ZINC000173223382 1426406452 /nfs/dbraw/zinc/40/64/52/1426406452.db2.gz NPOYDSYAXMYBPD-IBGZPJMESA-N 1 0 383.517 3.091 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000173223532 1426406873 /nfs/dbraw/zinc/40/68/73/1426406873.db2.gz YNICYPLBHAOVDZ-JOCHJYFZSA-N 1 0 397.544 3.232 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000173222956 1426407522 /nfs/dbraw/zinc/40/75/22/1426407522.db2.gz MVRFPGDLYVWWCB-NRFANRHFSA-N 1 0 397.544 3.399 20 30 GGEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)ccc2NC1=O ZINC000173225015 1426409808 /nfs/dbraw/zinc/40/98/08/1426409808.db2.gz YVXKDRIWMSRQSI-BIENJYKASA-N 1 0 392.459 3.346 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Oc2cccc(C)c2)CC1 ZINC000173271709 1426449839 /nfs/dbraw/zinc/44/98/39/1426449839.db2.gz KVYVYFNLAFZUFG-UHFFFAOYSA-N 1 0 393.487 3.492 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)CC1 ZINC000173273185 1426451111 /nfs/dbraw/zinc/45/11/11/1426451111.db2.gz YHCUDVYZSCFMSS-UHFFFAOYSA-N 1 0 387.549 3.426 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)CC1 ZINC000173276267 1426454594 /nfs/dbraw/zinc/45/45/94/1426454594.db2.gz RMFWYDZQANZDLI-UHFFFAOYSA-N 1 0 389.565 3.342 20 30 GGEDRO C=CCOCCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000173289120 1426467451 /nfs/dbraw/zinc/46/74/51/1426467451.db2.gz ALKFJGBTUMTZND-UHFFFAOYSA-N 1 0 385.430 3.379 20 30 GGEDRO COc1cccc(NC(=O)CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000173329598 1426511356 /nfs/dbraw/zinc/51/13/56/1426511356.db2.gz FCAQQGLJXDRTFG-UHFFFAOYSA-N 1 0 379.460 3.439 20 30 GGEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173360464 1426533774 /nfs/dbraw/zinc/53/37/74/1426533774.db2.gz NCBHVZGUFVKLHL-UHFFFAOYSA-N 1 0 380.496 3.350 20 30 GGEDRO N#CCCn1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000173367775 1426540982 /nfs/dbraw/zinc/54/09/82/1426540982.db2.gz CNYJYSZZWWARIT-UHFFFAOYSA-N 1 0 380.496 3.494 20 30 GGEDRO N#CCCn1ccc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1 ZINC000173372603 1426545914 /nfs/dbraw/zinc/54/59/14/1426545914.db2.gz PXQYGMIQPOKYSN-QGZVFWFLSA-N 1 0 386.887 3.409 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)c1cccc(OC)c1 ZINC000173376993 1426550165 /nfs/dbraw/zinc/55/01/65/1426550165.db2.gz ZCEDXBLAJTWOBT-SFHVURJKSA-N 1 0 384.484 3.010 20 30 GGEDRO N#CCCn1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000173378516 1426551878 /nfs/dbraw/zinc/55/18/78/1426551878.db2.gz DEGIYERTZQLMDJ-UHFFFAOYSA-N 1 0 380.496 3.494 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)[NH+]2CCCC2)c1 ZINC000173426253 1426608183 /nfs/dbraw/zinc/60/81/83/1426608183.db2.gz KNPSNBQXYSAPOM-OAQYLSRUSA-N 1 0 396.466 3.342 20 30 GGEDRO C=CCn1c(-c2cccnc2)nn(CN2CC[C@@H](C[NH+](CC)CC)C2)c1=S ZINC000173428587 1426610086 /nfs/dbraw/zinc/61/00/86/1426610086.db2.gz XJYCQVUUAWXHTG-KRWDZBQOSA-N 1 0 386.569 3.283 20 30 GGEDRO C=CCn1c(-c2cccnc2)nn(CN2CC[C@H](C[N@@H+](C)CCC)C2)c1=S ZINC000173445275 1426624739 /nfs/dbraw/zinc/62/47/39/1426624739.db2.gz XQYUAQMEAGAUSK-QGZVFWFLSA-N 1 0 386.569 3.283 20 30 GGEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000173539618 1426714863 /nfs/dbraw/zinc/71/48/63/1426714863.db2.gz ZRURONWVSBAGOZ-HNNXBMFYSA-N 1 0 398.511 3.073 20 30 GGEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000173539633 1426714942 /nfs/dbraw/zinc/71/49/42/1426714942.db2.gz ZRURONWVSBAGOZ-OAHLLOKOSA-N 1 0 398.511 3.073 20 30 GGEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173573698 1426741365 /nfs/dbraw/zinc/74/13/65/1426741365.db2.gz HDUBEYRCDPWXQG-MAUKXSAKSA-N 1 0 381.480 3.125 20 30 GGEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173573841 1426741471 /nfs/dbraw/zinc/74/14/71/1426741471.db2.gz HDUBEYRCDPWXQG-QAPCUYQASA-N 1 0 381.480 3.125 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000173580211 1426745486 /nfs/dbraw/zinc/74/54/86/1426745486.db2.gz HSSMWOKPTSSVDL-QHCPKHFHSA-N 1 0 383.536 3.086 20 30 GGEDRO Cc1cc2c(cc1C)O[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C2 ZINC000173580553 1426745823 /nfs/dbraw/zinc/74/58/23/1426745823.db2.gz VISFTFIJPYPJAN-QFIPXVFZSA-N 1 0 377.488 3.069 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173600333 1426768122 /nfs/dbraw/zinc/76/81/22/1426768122.db2.gz ZONOYGMTLNHHNT-NHCUHLMSSA-N 1 0 382.552 3.438 20 30 GGEDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000173790985 1426851943 /nfs/dbraw/zinc/85/19/43/1426851943.db2.gz HMKNLTCULMZUKV-INIZCTEOSA-N 1 0 388.581 3.491 20 30 GGEDRO CC[NH+](CC)[C@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000173851305 1426870969 /nfs/dbraw/zinc/87/09/69/1426870969.db2.gz CDGXFZZCZQYTJE-SFHVURJKSA-N 1 0 376.932 3.311 20 30 GGEDRO CC(C)CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000173856449 1426872518 /nfs/dbraw/zinc/87/25/18/1426872518.db2.gz BKKVUEMCGSXWCJ-SFHVURJKSA-N 1 0 397.523 3.383 20 30 GGEDRO CC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000173899037 1426884654 /nfs/dbraw/zinc/88/46/54/1426884654.db2.gz QFJLEOLSMHVLJS-INIZCTEOSA-N 1 0 388.581 3.491 20 30 GGEDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000173922451 1426893271 /nfs/dbraw/zinc/89/32/71/1426893271.db2.gz NCPCPJJXQRMXFQ-KRWDZBQOSA-N 1 0 376.932 3.169 20 30 GGEDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174020594 1426948634 /nfs/dbraw/zinc/94/86/34/1426948634.db2.gz IWCMBDDFCRNDLD-QGZVFWFLSA-N 1 0 383.517 3.310 20 30 GGEDRO CCc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000174033681 1426956901 /nfs/dbraw/zinc/95/69/01/1426956901.db2.gz KJGWAFOSNHDFDW-UHFFFAOYSA-N 1 0 392.459 3.377 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174039633 1426962844 /nfs/dbraw/zinc/96/28/44/1426962844.db2.gz LGGADZRNEQMJBT-HXUWFJFHSA-N 1 0 383.517 3.009 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000174040176 1426963079 /nfs/dbraw/zinc/96/30/79/1426963079.db2.gz PNLPFCOOZQQKDA-UHFFFAOYSA-N 1 0 395.503 3.130 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000174094214 1426999214 /nfs/dbraw/zinc/99/92/14/1426999214.db2.gz FCXRAZTZTGOIAH-CYBMUJFWSA-N 1 0 396.413 3.199 20 30 GGEDRO C=CCn1c(=S)n(CN2CCC(OCC[NH+]3CCCC3)CC2)nc1C1CC1 ZINC000174100828 1427002600 /nfs/dbraw/zinc/00/26/00/1427002600.db2.gz XGYGVDNSVJAIMH-UHFFFAOYSA-N 1 0 391.585 3.012 20 30 GGEDRO CCOc1cccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2ccccc2)c1 ZINC000174102737 1427003229 /nfs/dbraw/zinc/00/32/29/1427003229.db2.gz NUTJKKBKJNFBNY-UHFFFAOYSA-O 1 0 381.481 3.157 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174109300 1427006221 /nfs/dbraw/zinc/00/62/21/1427006221.db2.gz XAWQURXIHPNYOY-QGZVFWFLSA-N 1 0 383.517 3.203 20 30 GGEDRO N#CCSCCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000174111185 1427006638 /nfs/dbraw/zinc/00/66/38/1427006638.db2.gz KJYWYHQDNZVVEF-UHFFFAOYSA-N 1 0 388.415 3.382 20 30 GGEDRO Cc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)cc1F ZINC000174128146 1427013987 /nfs/dbraw/zinc/01/39/87/1427013987.db2.gz ZOXZDMPQCAEICZ-UHFFFAOYSA-N 1 0 398.482 3.078 20 30 GGEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174138912 1427018271 /nfs/dbraw/zinc/01/82/71/1427018271.db2.gz HNZJJAPXHWOCRQ-KRWDZBQOSA-N 1 0 379.426 3.184 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CCCCO)C2CC2)c1C#N ZINC000174161420 1427027388 /nfs/dbraw/zinc/02/73/88/1427027388.db2.gz IFMDFEGUKRQLRA-UHFFFAOYSA-N 1 0 380.492 3.141 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248741 1427068941 /nfs/dbraw/zinc/06/89/41/1427068941.db2.gz JREZUNFFBXHCBM-INIZCTEOSA-N 1 0 375.469 3.251 20 30 GGEDRO CN(C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N)C(=O)OC(C)(C)C ZINC000174286932 1427085552 /nfs/dbraw/zinc/08/55/52/1427085552.db2.gz JLBATIMHKOUKAN-HNNXBMFYSA-N 1 0 392.525 3.280 20 30 GGEDRO Cc1nc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000174305103 1427093619 /nfs/dbraw/zinc/09/36/19/1427093619.db2.gz KGXMSEIIMZAOEJ-UHFFFAOYSA-N 1 0 383.521 3.049 20 30 GGEDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000174306332 1427094153 /nfs/dbraw/zinc/09/41/53/1427094153.db2.gz YETJDVFEZYYKPT-CALCHBBNSA-N 1 0 393.487 3.106 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000174401125 1427140194 /nfs/dbraw/zinc/14/01/94/1427140194.db2.gz YANATOAVGWTUCY-NHCUHLMSSA-N 1 0 394.523 3.012 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CN2CCN(c3ccccc3)CC2)cc1 ZINC000174438431 1427156069 /nfs/dbraw/zinc/15/60/69/1427156069.db2.gz GNUCQWSSRGELOD-PMACEKPBSA-N 1 0 378.520 3.278 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)CN2CCN(c3ccccc3)CC2)cc1 ZINC000174438462 1427156405 /nfs/dbraw/zinc/15/64/05/1427156405.db2.gz GNUCQWSSRGELOD-WOJBJXKFSA-N 1 0 378.520 3.278 20 30 GGEDRO C=CCc1cc(C[NH2+]CCCN2C(=O)COc3ccccc32)cc(OC)c1O ZINC000174520259 1427199940 /nfs/dbraw/zinc/19/99/40/1427199940.db2.gz TURGLVFEDBCYTG-UHFFFAOYSA-N 1 0 382.460 3.035 20 30 GGEDRO C=CCOc1ccc(C[NH2+]CCCN2c3ccccc3OCC2=O)cc1OC ZINC000174524524 1427202800 /nfs/dbraw/zinc/20/28/00/1427202800.db2.gz OQVFNZXAUFJIHO-UHFFFAOYSA-N 1 0 382.460 3.165 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3cc(C#N)ccc3F)c(C)c2)CC1 ZINC000174607339 1427258570 /nfs/dbraw/zinc/25/85/70/1427258570.db2.gz MZTOURMFXUCAOK-UHFFFAOYSA-N 1 0 395.482 3.469 20 30 GGEDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000174637162 1427280310 /nfs/dbraw/zinc/28/03/10/1427280310.db2.gz HUPJUIKWSLAGIC-UHFFFAOYSA-N 1 0 386.517 3.440 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000174667110 1427297425 /nfs/dbraw/zinc/29/74/25/1427297425.db2.gz IOVSHIGNDSBSGP-UHFFFAOYSA-N 1 0 388.899 3.479 20 30 GGEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C)c1C#N ZINC000174796290 1427373673 /nfs/dbraw/zinc/37/36/73/1427373673.db2.gz DFCABFMVWFKBCU-UHFFFAOYSA-N 1 0 392.503 3.176 20 30 GGEDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)cc1 ZINC000174840585 1427398777 /nfs/dbraw/zinc/39/87/77/1427398777.db2.gz JDEHRWHMJRHUHD-SFHVURJKSA-N 1 0 377.554 3.315 20 30 GGEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc2)CC1 ZINC000174840822 1427399348 /nfs/dbraw/zinc/39/93/48/1427399348.db2.gz WQNNCTYLVFBSIZ-HXUWFJFHSA-N 1 0 382.895 3.082 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3ccn(CCC)c3c2)CC1 ZINC000174844015 1427401425 /nfs/dbraw/zinc/40/14/25/1427401425.db2.gz SPKPZYDJCUQZHI-UHFFFAOYSA-N 1 0 382.508 3.147 20 30 GGEDRO N#Cc1ccc(F)c(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000174862344 1427414926 /nfs/dbraw/zinc/41/49/26/1427414926.db2.gz NXGMZJWMOXLKNA-UHFFFAOYSA-N 1 0 390.528 3.248 20 30 GGEDRO CCc1cc(N2CCC([NH2+]Cc3cccc(OCCCC#N)c3)CC2)ncn1 ZINC000174935758 1427453877 /nfs/dbraw/zinc/45/38/77/1427453877.db2.gz QPXALDQCLBSMKT-UHFFFAOYSA-N 1 0 379.508 3.480 20 30 GGEDRO N#Cc1ccc(F)c(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000175061072 1427525030 /nfs/dbraw/zinc/52/50/30/1427525030.db2.gz JPGKQRZKOWIKRN-UHFFFAOYSA-N 1 0 380.467 3.204 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC000175164270 1427576927 /nfs/dbraw/zinc/57/69/27/1427576927.db2.gz NTORVJUOHIFHTN-OAQYLSRUSA-N 1 0 390.487 3.171 20 30 GGEDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000175269311 1427637453 /nfs/dbraw/zinc/63/74/53/1427637453.db2.gz FFADRZLPOBVSKQ-UTKZUKDTSA-N 1 0 388.471 3.158 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1ccccc1C#N ZINC000175286752 1427648652 /nfs/dbraw/zinc/64/86/52/1427648652.db2.gz ATQGPXYFUPBIIY-FQEVSTJZSA-N 1 0 377.488 3.308 20 30 GGEDRO CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000175322371 1427677720 /nfs/dbraw/zinc/67/77/20/1427677720.db2.gz XZCHTLSIRYXWGX-OAQYLSRUSA-N 1 0 377.492 3.322 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000175474199 1427774995 /nfs/dbraw/zinc/77/49/95/1427774995.db2.gz KVBGZBNAGQEFDJ-UHFFFAOYSA-N 1 0 394.560 3.068 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000175511171 1427797719 /nfs/dbraw/zinc/79/77/19/1427797719.db2.gz UWNIFOOZLPZOJG-ZWKOTPCHSA-N 1 0 377.554 3.386 20 30 GGEDRO COC(=O)[C@@H](c1ccccc1F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000175523678 1427802888 /nfs/dbraw/zinc/80/28/88/1427802888.db2.gz IQHYPKRFOCFLJN-OAQYLSRUSA-N 1 0 381.451 3.119 20 30 GGEDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000175572391 1427819078 /nfs/dbraw/zinc/81/90/78/1427819078.db2.gz ACBIUJCFTNUION-UHFFFAOYSA-N 1 0 382.464 3.440 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000175723529 1427870350 /nfs/dbraw/zinc/87/03/50/1427870350.db2.gz IAIQMDCKXBRHSK-UHFFFAOYSA-N 1 0 380.876 3.201 20 30 GGEDRO CCC(C)(C)NC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000175729056 1427871469 /nfs/dbraw/zinc/87/14/69/1427871469.db2.gz UWMHVFGMNAOVQY-UHFFFAOYSA-N 1 0 387.528 3.304 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)CC1 ZINC000175765515 1427883984 /nfs/dbraw/zinc/88/39/84/1427883984.db2.gz HSTMPUHCOXEXDN-SFHVURJKSA-N 1 0 396.576 3.266 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000175812588 1427904575 /nfs/dbraw/zinc/90/45/75/1427904575.db2.gz UZCGQTRJTZFSGQ-INIZCTEOSA-N 1 0 399.004 3.373 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)C1CC1 ZINC000175859955 1427937420 /nfs/dbraw/zinc/93/74/20/1427937420.db2.gz YZSKORQKMRRXNB-UWVAXJGDSA-N 1 0 375.538 3.225 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc([S@](C)=O)c(F)c1)C(C)C ZINC000175862143 1427939099 /nfs/dbraw/zinc/93/90/99/1427939099.db2.gz RFRWJQMFWKVQJJ-QLXKLKPCSA-N 1 0 381.517 3.383 20 30 GGEDRO CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccnc1 ZINC000175908410 1427965459 /nfs/dbraw/zinc/96/54/59/1427965459.db2.gz YFDCSCKMXZNECW-QFIPXVFZSA-N 1 0 393.535 3.466 20 30 GGEDRO N#Cc1ccccc1N1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000176009141 1428025637 /nfs/dbraw/zinc/02/56/37/1428025637.db2.gz BVIYLIANQJCTRZ-UHFFFAOYSA-N 1 0 395.551 3.187 20 30 GGEDRO C=CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000176040773 1428042336 /nfs/dbraw/zinc/04/23/36/1428042336.db2.gz TYPFJZWLQFPNFD-UHFFFAOYSA-N 1 0 380.488 3.138 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176042573 1428045318 /nfs/dbraw/zinc/04/53/18/1428045318.db2.gz MGECPDNDFBVKND-UHFFFAOYSA-N 1 0 384.455 3.206 20 30 GGEDRO C=CCOc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176044316 1428045832 /nfs/dbraw/zinc/04/58/32/1428045832.db2.gz QCSWUQOUFWBKKN-UHFFFAOYSA-N 1 0 380.488 3.138 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176069327 1428065424 /nfs/dbraw/zinc/06/54/24/1428065424.db2.gz AVAAQAIUECOYDK-UHFFFAOYSA-N 1 0 390.487 3.082 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176068806 1428065494 /nfs/dbraw/zinc/06/54/94/1428065494.db2.gz FQUNZJUHPOBLOZ-UHFFFAOYSA-N 1 0 379.504 3.252 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176119959 1428095281 /nfs/dbraw/zinc/09/52/81/1428095281.db2.gz OPFYWCPQBISUFI-RXVVDRJESA-N 1 0 377.488 3.301 20 30 GGEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000176164265 1428130272 /nfs/dbraw/zinc/13/02/72/1428130272.db2.gz ZHVJMCOMSDBONX-KRWDZBQOSA-N 1 0 381.442 3.430 20 30 GGEDRO C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000180173046 1429779473 /nfs/dbraw/zinc/77/94/73/1429779473.db2.gz LYGSYXCBLHLAIJ-HNNXBMFYSA-N 1 0 383.496 3.352 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180220978 1429806154 /nfs/dbraw/zinc/80/61/54/1429806154.db2.gz HXKAGDZZRHWDII-INIZCTEOSA-N 1 0 384.430 3.210 20 30 GGEDRO C=CCc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1OC ZINC000180224801 1429806875 /nfs/dbraw/zinc/80/68/75/1429806875.db2.gz MDTSEZYDQINGFI-UHFFFAOYSA-N 1 0 395.503 3.474 20 30 GGEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C[C@@H](C)O1 ZINC000180229604 1429808530 /nfs/dbraw/zinc/80/85/30/1429808530.db2.gz JQMKQGMITIJGJO-QZTJIDSGSA-N 1 0 381.520 3.203 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)CC1 ZINC000180269954 1429820070 /nfs/dbraw/zinc/82/00/70/1429820070.db2.gz DSKBSOIXKSHCHE-UHFFFAOYSA-N 1 0 385.558 3.410 20 30 GGEDRO Cn1cc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180283094 1429823932 /nfs/dbraw/zinc/82/39/32/1429823932.db2.gz AVWOFOLOCRKGPN-UHFFFAOYSA-N 1 0 383.496 3.352 20 30 GGEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1cccc(C#N)c1 ZINC000180287999 1429825722 /nfs/dbraw/zinc/82/57/22/1429825722.db2.gz VHKWCNINORJEPD-UHFFFAOYSA-N 1 0 377.492 3.401 20 30 GGEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1)C1CC1 ZINC000180308421 1429832263 /nfs/dbraw/zinc/83/22/63/1429832263.db2.gz ATMZMNYCWKHWHZ-SIKLNZKXSA-N 1 0 381.451 3.344 20 30 GGEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000180359218 1429845646 /nfs/dbraw/zinc/84/56/46/1429845646.db2.gz FOWQHHHRWFZMML-HNNXBMFYSA-N 1 0 388.537 3.008 20 30 GGEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1cccc(OCC#N)c1 ZINC000180427893 1429866958 /nfs/dbraw/zinc/86/69/58/1429866958.db2.gz LJNFEFYSGWTEHR-UHFFFAOYSA-N 1 0 392.503 3.292 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c(OC)c1 ZINC000180524309 1429889442 /nfs/dbraw/zinc/88/94/42/1429889442.db2.gz PCXBPRRHDILIKF-RBUKOAKNSA-N 1 0 385.508 3.340 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180538743 1429893307 /nfs/dbraw/zinc/89/33/07/1429893307.db2.gz IOWZYTHBUAKQDW-ROUUACIJSA-N 1 0 381.879 3.259 20 30 GGEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC[N@H+](C)CC3)c2)c1 ZINC000180634818 1429946180 /nfs/dbraw/zinc/94/61/80/1429946180.db2.gz VUUUCHWPPZIUPX-UHFFFAOYSA-N 1 0 391.471 3.042 20 30 GGEDRO COc1cccc2[nH]cc(CC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c21 ZINC000180705992 1429989162 /nfs/dbraw/zinc/98/91/62/1429989162.db2.gz NVHXVNXYEQAZFV-UHFFFAOYSA-N 1 0 390.487 3.181 20 30 GGEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180719799 1429999155 /nfs/dbraw/zinc/99/91/55/1429999155.db2.gz YJXBTQSDLHRIGD-IBGZPJMESA-N 1 0 395.507 3.003 20 30 GGEDRO CC[C@H](C)Oc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccn1 ZINC000180767517 1430028186 /nfs/dbraw/zinc/02/81/86/1430028186.db2.gz RNOMQDXVXXQVOC-KRWDZBQOSA-N 1 0 380.492 3.335 20 30 GGEDRO N#Cc1ccc(CNC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000180774574 1430032527 /nfs/dbraw/zinc/03/25/27/1430032527.db2.gz GUFPIUMRYXMAQQ-UHFFFAOYSA-N 1 0 392.503 3.075 20 30 GGEDRO N#Cc1cccc(CNC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000180795987 1430045300 /nfs/dbraw/zinc/04/53/00/1430045300.db2.gz URFNFCPXBIOMHA-UHFFFAOYSA-N 1 0 392.503 3.075 20 30 GGEDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000180827862 1430060453 /nfs/dbraw/zinc/06/04/53/1430060453.db2.gz HJUVOMVCWBDQBE-JOCHJYFZSA-N 1 0 377.488 3.437 20 30 GGEDRO CC(C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000180872226 1430079836 /nfs/dbraw/zinc/07/98/36/1430079836.db2.gz ZPDCJKUYPNUASI-UHFFFAOYSA-N 1 0 395.413 3.486 20 30 GGEDRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180877045 1430082984 /nfs/dbraw/zinc/08/29/84/1430082984.db2.gz XURDLYXBDOGQDS-MPHHAOFMSA-N 1 0 396.516 3.219 20 30 GGEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000180898641 1430096676 /nfs/dbraw/zinc/09/66/76/1430096676.db2.gz SLUOGSLXYATPDG-QGZVFWFLSA-N 1 0 392.503 3.063 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180921884 1430116304 /nfs/dbraw/zinc/11/63/04/1430116304.db2.gz DZJPIIKTIVODGK-JTSKRJEESA-N 1 0 378.472 3.159 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCCCc3cc(Br)ccc32)CC1 ZINC000180930470 1430120617 /nfs/dbraw/zinc/12/06/17/1430120617.db2.gz AOJFTCKYZPURAU-UHFFFAOYSA-N 1 0 375.310 3.464 20 30 GGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000180969000 1430141937 /nfs/dbraw/zinc/14/19/37/1430141937.db2.gz BFCHMNXZGHONGF-HZPDHXFCSA-N 1 0 396.553 3.047 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nnc(C4CC4)n3C3CC3)CC2)cc1 ZINC000181035048 1430178662 /nfs/dbraw/zinc/17/86/62/1430178662.db2.gz LRGSHIFAASVQCK-UHFFFAOYSA-N 1 0 376.508 3.070 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000181160660 1430232015 /nfs/dbraw/zinc/23/20/15/1430232015.db2.gz FIVVHDVFUBQRNF-OAHLLOKOSA-N 1 0 380.895 3.007 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000181175343 1430238026 /nfs/dbraw/zinc/23/80/26/1430238026.db2.gz YIYJPGGYPDFJQF-QAPCUYQASA-N 1 0 388.899 3.398 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000181175309 1430238087 /nfs/dbraw/zinc/23/80/87/1430238087.db2.gz YIYJPGGYPDFJQF-CRAIPNDOSA-N 1 0 388.899 3.398 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181191202 1430243886 /nfs/dbraw/zinc/24/38/86/1430243886.db2.gz IZPIKQYVYWXEQH-WIYYLYMNSA-N 1 0 384.501 3.089 20 30 GGEDRO N#Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c[nH]1 ZINC000181208628 1430248059 /nfs/dbraw/zinc/24/80/59/1430248059.db2.gz SDVXMYMGKONXTM-UHFFFAOYSA-N 1 0 399.498 3.139 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccccc1C#N ZINC000181269226 1430259821 /nfs/dbraw/zinc/25/98/21/1430259821.db2.gz SJBXETBWDAMUEX-LSDHHAIUSA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000181275785 1430261115 /nfs/dbraw/zinc/26/11/15/1430261115.db2.gz SLVROPLMTZNTQA-HUUCEWRRSA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181275750 1430261188 /nfs/dbraw/zinc/26/11/88/1430261188.db2.gz SLVROPLMTZNTQA-CABCVRRESA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000181280128 1430261912 /nfs/dbraw/zinc/26/19/12/1430261912.db2.gz JXBOPEHKFMWWIQ-CYBMUJFWSA-N 1 0 398.850 3.458 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NC1(C#N)CCCCC1 ZINC000181306008 1430268685 /nfs/dbraw/zinc/26/86/85/1430268685.db2.gz YWZXZOYBGFDHLQ-JKSUJKDBSA-N 1 0 384.480 3.025 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(N2CCOC2=O)c1 ZINC000181306053 1430268792 /nfs/dbraw/zinc/26/87/92/1430268792.db2.gz MYXCVDJQNGOVOY-ZDUSSCGKSA-N 1 0 384.461 3.256 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000181313631 1430270287 /nfs/dbraw/zinc/27/02/87/1430270287.db2.gz MKFCBVPQESJLIB-OAHLLOKOSA-N 1 0 378.432 3.194 20 30 GGEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c(C#N)c1C ZINC000181329999 1430274787 /nfs/dbraw/zinc/27/47/87/1430274787.db2.gz XHKYBOBLRPOIRH-UONOGXRCSA-N 1 0 396.447 3.403 20 30 GGEDRO Cc1cccc(C)c1NC(=O)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181403918 1430289577 /nfs/dbraw/zinc/28/95/77/1430289577.db2.gz HHYQAYXOACOGDQ-UHFFFAOYSA-N 1 0 376.504 3.368 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000181407104 1430290357 /nfs/dbraw/zinc/29/03/57/1430290357.db2.gz OFNKHIVJXVJVBX-SJORKVTESA-N 1 0 382.508 3.195 20 30 GGEDRO COc1cc(OC)c(OC)cc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181411437 1430291106 /nfs/dbraw/zinc/29/11/06/1430291106.db2.gz KGYJAIZLIOJCLK-UHFFFAOYSA-N 1 0 395.503 3.338 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc(C#N)c1 ZINC000181412183 1430291160 /nfs/dbraw/zinc/29/11/60/1430291160.db2.gz DZGZXKAZENMOSI-HOTGVXAUSA-N 1 0 376.460 3.363 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc(C#N)c1 ZINC000181412240 1430291226 /nfs/dbraw/zinc/29/12/26/1430291226.db2.gz DZGZXKAZENMOSI-HZPDHXFCSA-N 1 0 376.460 3.363 20 30 GGEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N2CCOCC2)cc1OC ZINC000181415432 1430292554 /nfs/dbraw/zinc/29/25/54/1430292554.db2.gz CQXWYCQQRVHABK-LAUBAEHRSA-N 1 0 395.503 3.300 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000181415789 1430292801 /nfs/dbraw/zinc/29/28/01/1430292801.db2.gz SUFMJBQMUIAHEN-KRWDZBQOSA-N 1 0 382.508 3.149 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000181423616 1430295084 /nfs/dbraw/zinc/29/50/84/1430295084.db2.gz RJYOGOKPSQRFLQ-SFHVURJKSA-N 1 0 390.487 3.411 20 30 GGEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCN(c2ccccc2)CC1 ZINC000181496168 1430310536 /nfs/dbraw/zinc/31/05/36/1430310536.db2.gz IWTVNEKQMGOABJ-PMACEKPBSA-N 1 0 378.520 3.450 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000181516847 1430313845 /nfs/dbraw/zinc/31/38/45/1430313845.db2.gz JWKZLQFNLVHDDG-UWJYYQICSA-N 1 0 394.560 3.104 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1 ZINC000181534979 1430316658 /nfs/dbraw/zinc/31/66/58/1430316658.db2.gz QJDTVVYDEUSGCB-FQEVSTJZSA-N 1 0 384.524 3.305 20 30 GGEDRO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C1CC1 ZINC000181581466 1430323141 /nfs/dbraw/zinc/32/31/41/1430323141.db2.gz RDHUDXQDFQJARS-IBGZPJMESA-N 1 0 384.455 3.058 20 30 GGEDRO CCNC(=O)c1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181600365 1430325858 /nfs/dbraw/zinc/32/58/58/1430325858.db2.gz KGFYHUGDYMOGGQ-UHFFFAOYSA-N 1 0 376.504 3.062 20 30 GGEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000181602062 1430326195 /nfs/dbraw/zinc/32/61/95/1430326195.db2.gz RCVUAWJCYDGREA-QGZVFWFLSA-N 1 0 399.516 3.224 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000181606143 1430326819 /nfs/dbraw/zinc/32/68/19/1430326819.db2.gz QZLROSHKHSOLPX-UHFFFAOYSA-N 1 0 382.895 3.404 20 30 GGEDRO N#Cc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000181621475 1430329370 /nfs/dbraw/zinc/32/93/70/1430329370.db2.gz USSODCHBMIBWKW-GOSISDBHSA-N 1 0 384.867 3.100 20 30 GGEDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181635989 1430332473 /nfs/dbraw/zinc/33/24/73/1430332473.db2.gz XWKJVWSENCJWEX-QGZVFWFLSA-N 1 0 377.488 3.451 20 30 GGEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000181661755 1430337243 /nfs/dbraw/zinc/33/72/43/1430337243.db2.gz IKZFBLWPFZDAAB-AVRDEDQJSA-N 1 0 378.520 3.183 20 30 GGEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000181661732 1430337301 /nfs/dbraw/zinc/33/73/01/1430337301.db2.gz IKZFBLWPFZDAAB-PGRDOPGGSA-N 1 0 378.520 3.183 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000181670662 1430338818 /nfs/dbraw/zinc/33/88/18/1430338818.db2.gz SLMBHZWYFIROIT-UHFFFAOYSA-N 1 0 377.488 3.474 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC000181696371 1430343007 /nfs/dbraw/zinc/34/30/07/1430343007.db2.gz RDGOMMRTCNJRON-CYBMUJFWSA-N 1 0 386.462 3.322 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC000181696389 1430343190 /nfs/dbraw/zinc/34/31/90/1430343190.db2.gz RDGOMMRTCNJRON-ZDUSSCGKSA-N 1 0 386.462 3.322 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000181759326 1430353882 /nfs/dbraw/zinc/35/38/82/1430353882.db2.gz UTUSXRYKUWAZNK-IBGZPJMESA-N 1 0 396.535 3.450 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000181765887 1430355063 /nfs/dbraw/zinc/35/50/63/1430355063.db2.gz CTNCTTXMVKZCCZ-HSZRJFAPSA-N 1 0 393.531 3.194 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000181784896 1430359261 /nfs/dbraw/zinc/35/92/61/1430359261.db2.gz CCWRGWZZOFWRFK-IBGZPJMESA-N 1 0 385.533 3.213 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000181784923 1430359272 /nfs/dbraw/zinc/35/92/72/1430359272.db2.gz CCWRGWZZOFWRFK-LJQANCHMSA-N 1 0 385.533 3.213 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000181784413 1430359383 /nfs/dbraw/zinc/35/93/83/1430359383.db2.gz JWQXSOXSKBRNKT-QTGUNEKASA-N 1 0 379.504 3.123 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000181788013 1430360092 /nfs/dbraw/zinc/36/00/92/1430360092.db2.gz UZXKUKREZQUJQF-SCLBCKFNSA-N 1 0 388.851 3.398 20 30 GGEDRO CN(C)C(=O)c1cccc(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181811211 1430365150 /nfs/dbraw/zinc/36/51/50/1430365150.db2.gz AQLMATGTYWWXFQ-UHFFFAOYSA-N 1 0 390.531 3.057 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(OC)cc1 ZINC000181826672 1430368227 /nfs/dbraw/zinc/36/82/27/1430368227.db2.gz WTWXKRPIIMXSEL-HXUWFJFHSA-N 1 0 389.459 3.432 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(OC)cc1 ZINC000181826653 1430368261 /nfs/dbraw/zinc/36/82/61/1430368261.db2.gz WTWXKRPIIMXSEL-FQEVSTJZSA-N 1 0 389.459 3.432 20 30 GGEDRO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000181830078 1430368951 /nfs/dbraw/zinc/36/89/51/1430368951.db2.gz YEDOBGVLAVCMAD-LJQANCHMSA-N 1 0 385.508 3.344 20 30 GGEDRO C[NH+](C)C1(CNC(=O)c2ccccc2Oc2ccccc2C#N)CCOCC1 ZINC000181838448 1430370222 /nfs/dbraw/zinc/37/02/22/1430370222.db2.gz LLCVNPAMRDCSSO-UHFFFAOYSA-N 1 0 379.460 3.191 20 30 GGEDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181867805 1430374383 /nfs/dbraw/zinc/37/43/83/1430374383.db2.gz GLQPAMQEXMZPPI-UHFFFAOYSA-N 1 0 386.540 3.416 20 30 GGEDRO CC(C)c1nc2n(n1)CCC[C@H]2NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181882945 1430377150 /nfs/dbraw/zinc/37/71/50/1430377150.db2.gz KCUTVOPQADSODG-HXUWFJFHSA-N 1 0 378.524 3.362 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000181889979 1430378591 /nfs/dbraw/zinc/37/85/91/1430378591.db2.gz RFKWXNYLWZMUJM-GHTZIAJQSA-N 1 0 377.488 3.473 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000181905482 1430381074 /nfs/dbraw/zinc/38/10/74/1430381074.db2.gz XXQKNAXLQGZBLG-INIZCTEOSA-N 1 0 390.553 3.391 20 30 GGEDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181929281 1430385014 /nfs/dbraw/zinc/38/50/14/1430385014.db2.gz MGVQXSMINBBIJA-KRWDZBQOSA-N 1 0 383.517 3.310 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CCCNC(=O)c3cccc(F)c3)CC2)cc1 ZINC000181945879 1430386969 /nfs/dbraw/zinc/38/69/69/1430386969.db2.gz UYFXTRONLWTUCH-UHFFFAOYSA-N 1 0 394.494 3.071 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000181951371 1430387599 /nfs/dbraw/zinc/38/75/99/1430387599.db2.gz QPUCAMQDEGQRSX-NRFANRHFSA-N 1 0 392.478 3.057 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181973254 1430390306 /nfs/dbraw/zinc/39/03/06/1430390306.db2.gz LFBQZAGGMMSFGW-QGZVFWFLSA-N 1 0 383.517 3.203 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)c(-c2ccccc2)n1 ZINC000181990040 1430392666 /nfs/dbraw/zinc/39/26/66/1430392666.db2.gz GTJKXLCIQWVNKR-LJQANCHMSA-N 1 0 390.466 3.366 20 30 GGEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182018026 1430397196 /nfs/dbraw/zinc/39/71/96/1430397196.db2.gz CUQAGNGOPXOWJD-HNNXBMFYSA-N 1 0 385.439 3.067 20 30 GGEDRO COc1cc(NCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000182056486 1430402901 /nfs/dbraw/zinc/40/29/01/1430402901.db2.gz HEZODTJZHSPUAG-UHFFFAOYSA-N 1 0 394.519 3.242 20 30 GGEDRO COC(=O)c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000182068754 1430405336 /nfs/dbraw/zinc/40/53/36/1430405336.db2.gz BXWZGKXKPOSCES-UHFFFAOYSA-N 1 0 393.487 3.108 20 30 GGEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182131403 1430416989 /nfs/dbraw/zinc/41/69/89/1430416989.db2.gz YNQUJDMICAEGFF-SFHVURJKSA-N 1 0 391.471 3.145 20 30 GGEDRO C[C@H](CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000182136438 1430418304 /nfs/dbraw/zinc/41/83/04/1430418304.db2.gz BSAOSOKIWPFYMC-QHGAOEGBSA-N 1 0 399.539 3.207 20 30 GGEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000182163139 1430422566 /nfs/dbraw/zinc/42/25/66/1430422566.db2.gz KMUPKPDBJDFDEL-SFHVURJKSA-N 1 0 381.476 3.437 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H]1CCCO1 ZINC000182336146 1430450203 /nfs/dbraw/zinc/45/02/03/1430450203.db2.gz MILOYUNSLGNLBJ-PMACEKPBSA-N 1 0 380.492 3.452 20 30 GGEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000182380458 1430455832 /nfs/dbraw/zinc/45/58/32/1430455832.db2.gz PWVYCMIRDOYRML-UHFFFAOYSA-N 1 0 377.554 3.222 20 30 GGEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000182380124 1430455886 /nfs/dbraw/zinc/45/58/86/1430455886.db2.gz JBHIFXZVYKDKLK-UHFFFAOYSA-N 1 0 377.554 3.389 20 30 GGEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000182380634 1430455931 /nfs/dbraw/zinc/45/59/31/1430455931.db2.gz NPAJJNKEXIHMFP-UHFFFAOYSA-N 1 0 399.507 3.359 20 30 GGEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000182434204 1430467404 /nfs/dbraw/zinc/46/74/04/1430467404.db2.gz QDPRNWFNCOHUOS-MAUKXSAKSA-N 1 0 396.457 3.048 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000182530761 1430484269 /nfs/dbraw/zinc/48/42/69/1430484269.db2.gz RNYIDKUVVABGNC-SFHVURJKSA-N 1 0 397.441 3.439 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182543618 1430487301 /nfs/dbraw/zinc/48/73/01/1430487301.db2.gz SKQKKFKCJMLHFO-OAQYLSRUSA-N 1 0 396.535 3.024 20 30 GGEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000182614722 1430502945 /nfs/dbraw/zinc/50/29/45/1430502945.db2.gz GMEPGBPNEZLXHP-PMACEKPBSA-N 1 0 394.544 3.294 20 30 GGEDRO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCc2ccccc21 ZINC000182625159 1430504419 /nfs/dbraw/zinc/50/44/19/1430504419.db2.gz BQLKKKBXNWTLRG-UXHICEINSA-N 1 0 394.544 3.076 20 30 GGEDRO C[N@H+](CCCc1ccccc1)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182678432 1430515972 /nfs/dbraw/zinc/51/59/72/1430515972.db2.gz JQEWBJYCGBASSX-FQEVSTJZSA-N 1 0 396.560 3.022 20 30 GGEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182718362 1430525897 /nfs/dbraw/zinc/52/58/97/1430525897.db2.gz AZVXMCUCXXQKII-HFSMHLIXSA-N 1 0 396.535 3.070 20 30 GGEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182718326 1430526176 /nfs/dbraw/zinc/52/61/76/1430526176.db2.gz AZVXMCUCXXQKII-FBBABVLZSA-N 1 0 396.535 3.070 20 30 GGEDRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000182748428 1430532349 /nfs/dbraw/zinc/53/23/49/1430532349.db2.gz YDMFVNBMWONYPQ-MRXNPFEDSA-N 1 0 376.570 3.261 20 30 GGEDRO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182759574 1430534964 /nfs/dbraw/zinc/53/49/64/1430534964.db2.gz YLGWPKYCOUONRD-WOJBJXKFSA-N 1 0 377.492 3.241 20 30 GGEDRO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182759925 1430535449 /nfs/dbraw/zinc/53/54/49/1430535449.db2.gz BVDRCODPBPMAFL-WOJBJXKFSA-N 1 0 377.492 3.150 20 30 GGEDRO C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822880 1430546974 /nfs/dbraw/zinc/54/69/74/1430546974.db2.gz OXGXMXGTEZCULT-HKUYNNGSSA-N 1 0 396.535 3.436 20 30 GGEDRO C[C@@H]1Oc2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2NC1=O ZINC000182825710 1430547770 /nfs/dbraw/zinc/54/77/70/1430547770.db2.gz XCROGGUKHDBPLQ-HNNXBMFYSA-N 1 0 376.460 3.354 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(OC[C@@H]4CCCCO4)CC3)C2=O)cc1 ZINC000182832560 1430549857 /nfs/dbraw/zinc/54/98/57/1430549857.db2.gz KQZUJRKMGUINJG-VXKWHMMOSA-N 1 0 397.519 3.104 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(OC[C@@H]4CCCCO4)CC3)C2=O)cc1 ZINC000182832580 1430549898 /nfs/dbraw/zinc/54/98/98/1430549898.db2.gz KQZUJRKMGUINJG-FCHUYYIVSA-N 1 0 397.519 3.104 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182840467 1430551401 /nfs/dbraw/zinc/55/14/01/1430551401.db2.gz GTWBXRGTINJFAD-HNNXBMFYSA-N 1 0 394.397 3.498 20 30 GGEDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000182870243 1430558017 /nfs/dbraw/zinc/55/80/17/1430558017.db2.gz JUEOXKMVLSPRMN-AWEZNQCLSA-N 1 0 377.423 3.481 20 30 GGEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(c3ccccc3)CCC2)CC1 ZINC000182871288 1430558586 /nfs/dbraw/zinc/55/85/86/1430558586.db2.gz BBIROXHVOUXWTF-LJQANCHMSA-N 1 0 394.544 3.126 20 30 GGEDRO CC(C)n1cnnc1[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182886936 1430562324 /nfs/dbraw/zinc/56/23/24/1430562324.db2.gz VMYKELQVRKTRBB-AZUAARDMSA-N 1 0 392.507 3.106 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182921689 1430572073 /nfs/dbraw/zinc/57/20/73/1430572073.db2.gz CNDWPGCSXVWNNJ-SJLPKXTDSA-N 1 0 384.524 3.377 20 30 GGEDRO Cc1ccc(CCCON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182924496 1430573215 /nfs/dbraw/zinc/57/32/15/1430573215.db2.gz KEFHKUMGCVKBHB-UHFFFAOYSA-N 1 0 381.520 3.221 20 30 GGEDRO Cc1c([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cnn1-c1ccc(F)cc1 ZINC000182999926 1430589095 /nfs/dbraw/zinc/58/90/95/1430589095.db2.gz KSCIVQXSSIUYGQ-HNNXBMFYSA-N 1 0 383.471 3.313 20 30 GGEDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000183000956 1430589295 /nfs/dbraw/zinc/58/92/95/1430589295.db2.gz SKAJJWXZWIEOBU-CQSZACIVSA-N 1 0 377.423 3.481 20 30 GGEDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000183062586 1430602927 /nfs/dbraw/zinc/60/29/27/1430602927.db2.gz ZWIHLBBGKFIBGN-ULQDDVLXSA-N 1 0 386.540 3.380 20 30 GGEDRO Cn1cc(C[NH2+]CCCCNC(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000183096447 1430611872 /nfs/dbraw/zinc/61/18/72/1430611872.db2.gz YEIHBBPEJVDEQI-UHFFFAOYSA-N 1 0 383.496 3.353 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)c1 ZINC000183109269 1430615529 /nfs/dbraw/zinc/61/55/29/1430615529.db2.gz VSQAHODBIZXHBV-IBGZPJMESA-N 1 0 392.503 3.437 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183154121 1430631168 /nfs/dbraw/zinc/63/11/68/1430631168.db2.gz OGZGPHVSFZKDDG-UHFFFAOYSA-N 1 0 391.397 3.439 20 30 GGEDRO CC(C)(C)OC(=O)NCCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000183181522 1430640907 /nfs/dbraw/zinc/64/09/07/1430640907.db2.gz LNAIJDJWAMFIGJ-UHFFFAOYSA-N 1 0 386.540 3.417 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183189825 1430643128 /nfs/dbraw/zinc/64/31/28/1430643128.db2.gz IKDPZOOVQRDVTK-CQSZACIVSA-N 1 0 397.445 3.270 20 30 GGEDRO CC1([C@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)OCCO1 ZINC000183243341 1430658069 /nfs/dbraw/zinc/65/80/69/1430658069.db2.gz HLUKRTKGQDSECI-FQEVSTJZSA-N 1 0 380.492 3.439 20 30 GGEDRO C[NH+](C)CCOc1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)ccn1 ZINC000183245249 1430658386 /nfs/dbraw/zinc/65/83/86/1430658386.db2.gz HWKWZCBYWDDMEO-UHFFFAOYSA-N 1 0 393.472 3.269 20 30 GGEDRO COc1cc(F)c([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1OC ZINC000183456981 1430716316 /nfs/dbraw/zinc/71/63/16/1430716316.db2.gz LKIJPLYPYYOYMO-NSHDSACASA-N 1 0 377.441 3.455 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183638042 1430759854 /nfs/dbraw/zinc/75/98/54/1430759854.db2.gz BFMKPHAZYJEYFB-UHFFFAOYSA-N 1 0 391.924 3.484 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183747358 1430785975 /nfs/dbraw/zinc/78/59/75/1430785975.db2.gz DEIBMQSHYCYZGY-NRFANRHFSA-N 1 0 376.504 3.483 20 30 GGEDRO CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000183752338 1430786819 /nfs/dbraw/zinc/78/68/19/1430786819.db2.gz YWHMIPSDFOMPTG-HSZRJFAPSA-N 1 0 379.504 3.314 20 30 GGEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183754495 1430787103 /nfs/dbraw/zinc/78/71/03/1430787103.db2.gz VBMRCWQDIJKJQM-LJQANCHMSA-N 1 0 389.565 3.314 20 30 GGEDRO Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c(C)o1 ZINC000183806864 1430798566 /nfs/dbraw/zinc/79/85/66/1430798566.db2.gz WNAIDZYVKHFRCA-CRAIPNDOSA-N 1 0 386.521 3.018 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000183810118 1430799040 /nfs/dbraw/zinc/79/90/40/1430799040.db2.gz GDRVPDQAXPEYHD-HXUWFJFHSA-N 1 0 399.539 3.023 20 30 GGEDRO CC[N@H+](CCO)CCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000183931926 1430814785 /nfs/dbraw/zinc/81/47/85/1430814785.db2.gz XZCFXSGHLLSSFS-UHFFFAOYSA-N 1 0 387.867 3.048 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000184149344 1430847577 /nfs/dbraw/zinc/84/75/77/1430847577.db2.gz NIPXOMOCCBBUOZ-UHFFFAOYSA-N 1 0 378.448 3.396 20 30 GGEDRO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000184251849 1430862486 /nfs/dbraw/zinc/86/24/86/1430862486.db2.gz MNCZNCADBMKAPJ-MRXNPFEDSA-N 1 0 383.521 3.036 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000184303119 1430871002 /nfs/dbraw/zinc/87/10/02/1430871002.db2.gz QYMARSCNEOHKME-KRWDZBQOSA-N 1 0 386.496 3.086 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)C1CC1 ZINC000184318801 1430872737 /nfs/dbraw/zinc/87/27/37/1430872737.db2.gz OKDKUWAZQVUVEQ-NRFANRHFSA-N 1 0 380.467 3.407 20 30 GGEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000184374262 1430880029 /nfs/dbraw/zinc/88/00/29/1430880029.db2.gz OAVBNODKDSIUGF-WMZOPIPTSA-N 1 0 384.549 3.244 20 30 GGEDRO CN1CCO[C@H]([C@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000184400792 1430883411 /nfs/dbraw/zinc/88/34/11/1430883411.db2.gz VSGZJIUZSDOLTK-LEWJYISDSA-N 1 0 385.895 3.404 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000184590088 1430911407 /nfs/dbraw/zinc/91/14/07/1430911407.db2.gz TVSSUMQTZYSVGZ-IBGZPJMESA-N 1 0 377.916 3.463 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000184597885 1430914243 /nfs/dbraw/zinc/91/42/43/1430914243.db2.gz DEXNIYUTKSAVOO-UHFFFAOYSA-N 1 0 386.496 3.112 20 30 GGEDRO CSCC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000184601098 1430915513 /nfs/dbraw/zinc/91/55/13/1430915513.db2.gz ZWZZXNGYWUTWQJ-KRWDZBQOSA-N 1 0 394.504 3.014 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000184608060 1430917787 /nfs/dbraw/zinc/91/77/87/1430917787.db2.gz QEMUUZBJEMXQRJ-GOSISDBHSA-N 1 0 398.463 3.135 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CCSC)c1nnc2ccccn21 ZINC000184607479 1430917841 /nfs/dbraw/zinc/91/78/41/1430917841.db2.gz RLLXEPFNPDKZSP-MRXNPFEDSA-N 1 0 397.504 3.072 20 30 GGEDRO CSCC[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1nnc2ccccn21 ZINC000184607649 1430918070 /nfs/dbraw/zinc/91/80/70/1430918070.db2.gz NOACNGQVVBHQRS-SFHVURJKSA-N 1 0 381.505 3.454 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000184610239 1430918506 /nfs/dbraw/zinc/91/85/06/1430918506.db2.gz MJPHTZQXYXFQOD-FQEVSTJZSA-N 1 0 396.491 3.316 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000184616820 1430920445 /nfs/dbraw/zinc/92/04/45/1430920445.db2.gz NAMKZZNKDWSIDB-SFHVURJKSA-N 1 0 388.512 3.073 20 30 GGEDRO CCO[C@@H]1C[C@H](NC(=[NH2+])Nc2ccccc2OC(F)(F)F)C12CCOCC2 ZINC000184644925 1430928402 /nfs/dbraw/zinc/92/84/02/1430928402.db2.gz JIJCJDFEYOKOEF-LSDHHAIUSA-N 1 0 387.402 3.286 20 30 GGEDRO CCO[C@H]1C[C@H](NC(=[NH2+])Nc2ccccc2OC(F)(F)F)C12CCOCC2 ZINC000184644943 1430928532 /nfs/dbraw/zinc/92/85/32/1430928532.db2.gz JIJCJDFEYOKOEF-GJZGRUSLSA-N 1 0 387.402 3.286 20 30 GGEDRO [NH2+]=C(NCc1nc(COc2ccccc2)n[nH]1)Nc1cccc2c1CCCC2 ZINC000184655509 1430931633 /nfs/dbraw/zinc/93/16/33/1430931633.db2.gz FYBWEBWEXAJYDJ-UHFFFAOYSA-N 1 0 376.464 3.189 20 30 GGEDRO COc1ccc2c(c1)nc(CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)n2C ZINC000184658271 1430932780 /nfs/dbraw/zinc/93/27/80/1430932780.db2.gz PKWWHRBIESLOHP-UHFFFAOYSA-N 1 0 393.369 3.407 20 30 GGEDRO Cc1oc(NC(=O)CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000184743498 1430962326 /nfs/dbraw/zinc/96/23/26/1430962326.db2.gz HZYXYVIEEFKGTJ-HZPDHXFCSA-N 1 0 394.519 3.453 20 30 GGEDRO C=CCOc1ccc(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)cc1Cl ZINC000184755145 1430967473 /nfs/dbraw/zinc/96/74/73/1430967473.db2.gz VFWSWQDWJPIVPC-UHFFFAOYSA-N 1 0 390.871 3.120 20 30 GGEDRO C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1nnnn1-c1ccccc1 ZINC000184824335 1430991412 /nfs/dbraw/zinc/99/14/12/1430991412.db2.gz NCLSVOSRYBZIEA-HNNXBMFYSA-N 1 0 394.504 3.230 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)CC1 ZINC000184891543 1431014255 /nfs/dbraw/zinc/01/42/55/1431014255.db2.gz CWUAMOATKJHAAG-UHFFFAOYSA-N 1 0 399.441 3.337 20 30 GGEDRO C=CCc1cc(OC)cc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c1O ZINC000184931605 1431024750 /nfs/dbraw/zinc/02/47/50/1431024750.db2.gz MTERUEULTSBENI-UHFFFAOYSA-N 1 0 382.508 3.365 20 30 GGEDRO COC(=O)[C@@H](Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000185033893 1431045675 /nfs/dbraw/zinc/04/56/75/1431045675.db2.gz RGQYKLJRQKJWKB-NRFANRHFSA-N 1 0 394.475 3.083 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(COC(C)(C)C)on1 ZINC000185202030 1431083644 /nfs/dbraw/zinc/08/36/44/1431083644.db2.gz WRXXWRQQJAWPIG-UHFFFAOYSA-N 1 0 384.480 3.065 20 30 GGEDRO Cc1sc(NC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(C#N)c1C ZINC000185228609 1431089827 /nfs/dbraw/zinc/08/98/27/1431089827.db2.gz AVTJXTRFELYJGY-HNNXBMFYSA-N 1 0 392.525 3.068 20 30 GGEDRO C=CCN1CCC([NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000185383486 1431132162 /nfs/dbraw/zinc/13/21/62/1431132162.db2.gz FHBVYXUJJQMVNT-NHCUHLMSSA-N 1 0 376.566 3.320 20 30 GGEDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000185393395 1431135010 /nfs/dbraw/zinc/13/50/10/1431135010.db2.gz PCJQZJZWRYHPMS-UHFFFAOYSA-N 1 0 382.464 3.095 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(CCC#N)n1)c1cccc(C(F)(F)F)c1 ZINC000185425963 1431142727 /nfs/dbraw/zinc/14/27/27/1431142727.db2.gz LPZCFTMZRFEGIY-OAHLLOKOSA-N 1 0 394.401 3.240 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000185473532 1431152861 /nfs/dbraw/zinc/15/28/61/1431152861.db2.gz QLCREVDAFUTKJF-IBGZPJMESA-N 1 0 379.451 3.088 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000185592233 1431178684 /nfs/dbraw/zinc/17/86/84/1431178684.db2.gz ARSWFUJFXHTAFM-NRFANRHFSA-N 1 0 392.503 3.078 20 30 GGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000185606065 1431182176 /nfs/dbraw/zinc/18/21/76/1431182176.db2.gz GTNYBDUTEZMANO-ABSDTBQOSA-N 1 0 398.551 3.476 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000185631208 1431189092 /nfs/dbraw/zinc/18/90/92/1431189092.db2.gz LFNDGAJIZBXSAC-LBPRGKRZSA-N 1 0 385.434 3.056 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000185636385 1431190702 /nfs/dbraw/zinc/19/07/02/1431190702.db2.gz AQXGOEHJDLQEJY-OCCSQVGLSA-N 1 0 399.461 3.444 20 30 GGEDRO CC(C)c1ccnc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000185656281 1431197647 /nfs/dbraw/zinc/19/76/47/1431197647.db2.gz ACGMKKDBETUEJY-UHFFFAOYSA-N 1 0 378.524 3.272 20 30 GGEDRO CCOc1cc(NC2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)ncn1 ZINC000185663830 1431199684 /nfs/dbraw/zinc/19/96/84/1431199684.db2.gz DGESBNDZEZLBDR-UHFFFAOYSA-N 1 0 394.523 3.302 20 30 GGEDRO CCOc1cc(NC2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)ncn1 ZINC000185667157 1431200628 /nfs/dbraw/zinc/20/06/28/1431200628.db2.gz SMVVAHMUNZFVIV-INIZCTEOSA-N 1 0 381.480 3.243 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(F)c(F)c1 ZINC000185837574 1431248085 /nfs/dbraw/zinc/24/80/85/1431248085.db2.gz QDUJVRDWOXJSQW-LJQANCHMSA-N 1 0 381.467 3.070 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000185843634 1431249644 /nfs/dbraw/zinc/24/96/44/1431249644.db2.gz KJQLJHYDLKVFGY-HXUWFJFHSA-N 1 0 393.478 3.336 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(COC(C)(C)C)on1 ZINC000185848588 1431250697 /nfs/dbraw/zinc/25/06/97/1431250697.db2.gz VKDKREYSYZBZLT-UHFFFAOYSA-N 1 0 384.480 3.065 20 30 GGEDRO Cc1cc2c(cc1C)[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)CO2 ZINC000185848412 1431250706 /nfs/dbraw/zinc/25/07/06/1431250706.db2.gz NIGYCMJHHNAGEH-NRFANRHFSA-N 1 0 377.488 3.242 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000185854184 1431252504 /nfs/dbraw/zinc/25/25/04/1431252504.db2.gz JMJPHIYYFMUDCP-UHFFFAOYSA-N 1 0 399.516 3.199 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000185954559 1431294685 /nfs/dbraw/zinc/29/46/85/1431294685.db2.gz KQZJYXSZZWNPQQ-INIZCTEOSA-N 1 0 395.425 3.497 20 30 GGEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000186100796 1431330731 /nfs/dbraw/zinc/33/07/31/1431330731.db2.gz AAFLDHXXTXYPAK-IBGZPJMESA-N 1 0 383.540 3.044 20 30 GGEDRO Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186251256 1431362900 /nfs/dbraw/zinc/36/29/00/1431362900.db2.gz BBPZAEXQNBLGKE-UHFFFAOYSA-N 1 0 378.476 3.328 20 30 GGEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000186278317 1431370044 /nfs/dbraw/zinc/37/00/44/1431370044.db2.gz OBPGYLOCZJKBEZ-QGZVFWFLSA-N 1 0 399.516 3.170 20 30 GGEDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1C#N ZINC000186285049 1431371533 /nfs/dbraw/zinc/37/15/33/1431371533.db2.gz MSLRNLSQDWHVKR-INIZCTEOSA-N 1 0 399.516 3.300 20 30 GGEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000186365431 1431392643 /nfs/dbraw/zinc/39/26/43/1431392643.db2.gz HPFJMZXPCVFXGD-RTBURBONSA-N 1 0 396.453 3.356 20 30 GGEDRO COC(=O)c1ccccc1CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000186445027 1431421859 /nfs/dbraw/zinc/42/18/59/1431421859.db2.gz APGDHJHLNJBHEA-UHFFFAOYSA-N 1 0 377.488 3.095 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)CC1 ZINC000186585961 1431461151 /nfs/dbraw/zinc/46/11/51/1431461151.db2.gz YDWCQSMANKTIBP-IBGZPJMESA-N 1 0 379.451 3.088 20 30 GGEDRO CC1(CO)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000186945580 1431573490 /nfs/dbraw/zinc/57/34/90/1431573490.db2.gz IQSBFFZWUMJUIR-UHFFFAOYSA-N 1 0 375.538 3.312 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)NCCCSC)cc1 ZINC000186962681 1431577987 /nfs/dbraw/zinc/57/79/87/1431577987.db2.gz SIADVBPBDGTETI-UHFFFAOYSA-O 1 0 392.570 3.423 20 30 GGEDRO COc1ccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2cccc(C)c2)cn1 ZINC000186966512 1431579223 /nfs/dbraw/zinc/57/92/23/1431579223.db2.gz ZPRNHXQUCUUMSS-UHFFFAOYSA-O 1 0 397.480 3.342 20 30 GGEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccccc1 ZINC000186975032 1431580528 /nfs/dbraw/zinc/58/05/28/1431580528.db2.gz BKUWUVABJWGXLL-UHFFFAOYSA-O 1 0 385.509 3.462 20 30 GGEDRO C[NH+]=C(NCc1ccco1)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000187119161 1431621331 /nfs/dbraw/zinc/62/13/31/1431621331.db2.gz NAZPUCNKSHVHLW-UHFFFAOYSA-N 1 0 384.480 3.396 20 30 GGEDRO C#CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000187175927 1431638403 /nfs/dbraw/zinc/63/84/03/1431638403.db2.gz BCWIUBSYJSFRAY-UHFFFAOYSA-N 1 0 377.488 3.158 20 30 GGEDRO COc1cc(/C=C/C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1OCC#N ZINC000187236935 1431659900 /nfs/dbraw/zinc/65/99/00/1431659900.db2.gz VNWPDWJPTSUWEW-LCZLWRFISA-N 1 0 393.487 3.418 20 30 GGEDRO COc1cc(/C=C/C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1OCC#N ZINC000187236912 1431660342 /nfs/dbraw/zinc/66/03/42/1431660342.db2.gz VNWPDWJPTSUWEW-MOBNQBNPSA-N 1 0 393.487 3.418 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187238674 1431661264 /nfs/dbraw/zinc/66/12/64/1431661264.db2.gz BMEQLXNFNUYQGB-VGSWGCGISA-N 1 0 381.524 3.154 20 30 GGEDRO C[C@@H](NC(=O)c1cccc(F)c1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000187437178 1431729929 /nfs/dbraw/zinc/72/99/29/1431729929.db2.gz PEGVJFOIUIMBSI-CQSZACIVSA-N 1 0 384.430 3.079 20 30 GGEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000187930329 1431828529 /nfs/dbraw/zinc/82/85/29/1431828529.db2.gz VAGVMYWCTZCVFH-UHFFFAOYSA-N 1 0 390.487 3.058 20 30 GGEDRO C#CCOc1ccccc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000188035223 1431838381 /nfs/dbraw/zinc/83/83/81/1431838381.db2.gz NAFVBQIASIUWDT-UHFFFAOYSA-N 1 0 392.503 3.264 20 30 GGEDRO C#CCOc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000188127950 1431850613 /nfs/dbraw/zinc/85/06/13/1431850613.db2.gz MVVDKCARFBYFSL-UHFFFAOYSA-N 1 0 376.460 3.166 20 30 GGEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(SCC#N)c1 ZINC000188158217 1431854393 /nfs/dbraw/zinc/85/43/93/1431854393.db2.gz YWJNDTHWVBIPQJ-JOCHJYFZSA-N 1 0 395.528 3.011 20 30 GGEDRO C=C(C)[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000188301539 1431870915 /nfs/dbraw/zinc/87/09/15/1431870915.db2.gz AWUHNUJOBQNSPT-WOJBJXKFSA-N 1 0 394.510 3.153 20 30 GGEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188414955 1431882373 /nfs/dbraw/zinc/88/23/73/1431882373.db2.gz UANDBNFKNLXSKC-MRXNPFEDSA-N 1 0 394.475 3.136 20 30 GGEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000188426856 1431883193 /nfs/dbraw/zinc/88/31/93/1431883193.db2.gz DNPILBSDBMSFSH-QFIPXVFZSA-N 1 0 385.508 3.141 20 30 GGEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000188426882 1431883281 /nfs/dbraw/zinc/88/32/81/1431883281.db2.gz DNPILBSDBMSFSH-JOCHJYFZSA-N 1 0 385.508 3.141 20 30 GGEDRO N#Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1O ZINC000188445058 1431884624 /nfs/dbraw/zinc/88/46/24/1431884624.db2.gz LQZHKPVRZUGCTJ-UHFFFAOYSA-N 1 0 399.878 3.190 20 30 GGEDRO CN(C)c1cccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000188663348 1431924618 /nfs/dbraw/zinc/92/46/18/1431924618.db2.gz FKLDBWSPHUTYEH-UHFFFAOYSA-N 1 0 378.520 3.147 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000188707826 1431940488 /nfs/dbraw/zinc/94/04/88/1431940488.db2.gz RRBVMUFRHFAIFK-AEFFLSMTSA-N 1 0 383.496 3.245 20 30 GGEDRO C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000188709910 1431941233 /nfs/dbraw/zinc/94/12/33/1431941233.db2.gz BRYYOMGNUTYPTQ-KRWDZBQOSA-N 1 0 393.491 3.332 20 30 GGEDRO C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@H+](C)Cc1ccccc1 ZINC000188720844 1431945384 /nfs/dbraw/zinc/94/53/84/1431945384.db2.gz DPLGMXFTTBDNPK-KRWDZBQOSA-N 1 0 381.480 3.406 20 30 GGEDRO C=CCOc1cccc(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000188722259 1431945520 /nfs/dbraw/zinc/94/55/20/1431945520.db2.gz IJWDHYWAGIBFOT-QHCPKHFHSA-N 1 0 395.503 3.352 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000188732519 1431949691 /nfs/dbraw/zinc/94/96/91/1431949691.db2.gz TVNPGRDGHVPTBF-UHFFFAOYSA-N 1 0 377.357 3.285 20 30 GGEDRO N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1O ZINC000188854207 1431998985 /nfs/dbraw/zinc/99/89/85/1431998985.db2.gz COOVIRNYQCCLCQ-SFTDATJTSA-N 1 0 375.472 3.391 20 30 GGEDRO C=CCN(CCOC)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188964089 1432017762 /nfs/dbraw/zinc/01/77/62/1432017762.db2.gz UIVOSBCDVREZGE-KRWDZBQOSA-N 1 0 385.430 3.124 20 30 GGEDRO CC(=O)Nc1ccc(C)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000189013643 1432027061 /nfs/dbraw/zinc/02/70/61/1432027061.db2.gz IKGMVEJGWPIFPU-UHFFFAOYSA-N 1 0 378.476 3.029 20 30 GGEDRO C=CCC[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000189120187 1432048360 /nfs/dbraw/zinc/04/83/60/1432048360.db2.gz YDSWBDJQGDGGMR-OAQYLSRUSA-N 1 0 378.520 3.200 20 30 GGEDRO N#CCOc1ccc(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000189159568 1432054801 /nfs/dbraw/zinc/05/48/01/1432054801.db2.gz NNNIPVXHOIUICM-UHFFFAOYSA-N 1 0 389.455 3.286 20 30 GGEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000189167690 1432056497 /nfs/dbraw/zinc/05/64/97/1432056497.db2.gz GEUCPOMQCCPMAX-OAQYLSRUSA-N 1 0 375.513 3.004 20 30 GGEDRO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000189426213 1432107003 /nfs/dbraw/zinc/10/70/03/1432107003.db2.gz GKMGZMXWRFRGFT-UHFFFAOYSA-N 1 0 399.878 3.456 20 30 GGEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000189522233 1432146983 /nfs/dbraw/zinc/14/69/83/1432146983.db2.gz SWRBICYPPCHCBV-ROUUACIJSA-N 1 0 383.521 3.336 20 30 GGEDRO C[C@H]([NH2+]C1(CNC(=O)c2cccc(F)c2C#N)CCOCC1)c1ccccc1 ZINC000189540043 1432153479 /nfs/dbraw/zinc/15/34/79/1432153479.db2.gz CNUOFAJLIHOTKJ-INIZCTEOSA-N 1 0 381.451 3.327 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000189564085 1432160269 /nfs/dbraw/zinc/16/02/69/1432160269.db2.gz VPDDZFXTKYEVKF-UTKZUKDTSA-N 1 0 390.487 3.008 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189564632 1432160515 /nfs/dbraw/zinc/16/05/15/1432160515.db2.gz QLWJHJJWFKQZAA-GCJKJVERSA-N 1 0 389.499 3.118 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000189693021 1432206318 /nfs/dbraw/zinc/20/63/18/1432206318.db2.gz ZOOGULQSYVDRBD-NRFANRHFSA-N 1 0 376.504 3.476 20 30 GGEDRO C[C@@H](C1CC1)n1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000189811502 1432241798 /nfs/dbraw/zinc/24/17/98/1432241798.db2.gz ZCRIFAHLSDIPRE-INIZCTEOSA-N 1 0 380.496 3.321 20 30 GGEDRO COC(=O)[C@@](C)(C[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000189935395 1432280227 /nfs/dbraw/zinc/28/02/27/1432280227.db2.gz GSEXLHMFHCUPPR-SZNDQCEHSA-N 1 0 399.878 3.259 20 30 GGEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@]1(CO)C[C@H](OCC)C1(C)C ZINC000189979477 1432296469 /nfs/dbraw/zinc/29/64/69/1432296469.db2.gz YFQUBZKBWPUEJN-PXNSSMCTSA-N 1 0 378.538 3.059 20 30 GGEDRO C#CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000189983346 1432299877 /nfs/dbraw/zinc/29/98/77/1432299877.db2.gz QVVKACQWVHZKIG-GOSISDBHSA-N 1 0 398.528 3.432 20 30 GGEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(C#N)c[nH]3)c(OCC)c2)CC1 ZINC000190078183 1432315649 /nfs/dbraw/zinc/31/56/49/1432315649.db2.gz NEBOUANGXLSDOS-UHFFFAOYSA-N 1 0 381.480 3.069 20 30 GGEDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000190138330 1432326586 /nfs/dbraw/zinc/32/65/86/1432326586.db2.gz WCIFGIFUNVAWTE-UHFFFAOYSA-N 1 0 378.476 3.317 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000190186655 1432336391 /nfs/dbraw/zinc/33/63/91/1432336391.db2.gz GOMRKJKWXQZOSV-JKSUJKDBSA-N 1 0 390.553 3.247 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190222744 1432343870 /nfs/dbraw/zinc/34/38/70/1432343870.db2.gz KDYLRKUBZNUIKH-OAQYLSRUSA-N 1 0 377.488 3.274 20 30 GGEDRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(CCC#N)CC3CC3)c2C1 ZINC000190255802 1432349717 /nfs/dbraw/zinc/34/97/17/1432349717.db2.gz YHBMFDWJXFOBCD-INIZCTEOSA-N 1 0 382.508 3.137 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(F)c(F)c1 ZINC000190370287 1432368653 /nfs/dbraw/zinc/36/86/53/1432368653.db2.gz PWRVPRXSSOAPDL-UHFFFAOYSA-N 1 0 386.446 3.152 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccnn1-c1nc(C)cc(C)n1)C(C)C ZINC000190452098 1432384886 /nfs/dbraw/zinc/38/48/86/1432384886.db2.gz LBHBKJUTOOCVFL-SFHVURJKSA-N 1 0 397.527 3.099 20 30 GGEDRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190604414 1432417895 /nfs/dbraw/zinc/41/78/95/1432417895.db2.gz VNGUCWQUVORCOO-JTSKRJEESA-N 1 0 393.487 3.035 20 30 GGEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190604330 1432418045 /nfs/dbraw/zinc/41/80/45/1432418045.db2.gz UFMFTRNMFHOAAC-OXQOHEQNSA-N 1 0 393.487 3.336 20 30 GGEDRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190604369 1432418059 /nfs/dbraw/zinc/41/80/59/1432418059.db2.gz UFMFTRNMFHOAAC-JXFKEZNVSA-N 1 0 393.487 3.336 20 30 GGEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)C1 ZINC000190604778 1432418065 /nfs/dbraw/zinc/41/80/65/1432418065.db2.gz DVWZQMXDBGCHRU-YFXJRYMSSA-N 1 0 394.563 3.292 20 30 GGEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190604355 1432418079 /nfs/dbraw/zinc/41/80/79/1432418079.db2.gz UFMFTRNMFHOAAC-UZLBHIALSA-N 1 0 393.487 3.336 20 30 GGEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190608906 1432419402 /nfs/dbraw/zinc/41/94/02/1432419402.db2.gz FKVIYZOMWJFQCG-UXHICEINSA-N 1 0 393.512 3.494 20 30 GGEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000190621082 1432423412 /nfs/dbraw/zinc/42/34/12/1432423412.db2.gz OLCDFXPNXXSPKA-YFXJRYMSSA-N 1 0 388.515 3.084 20 30 GGEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190622532 1432423445 /nfs/dbraw/zinc/42/34/45/1432423445.db2.gz KJHKDXAYPGIQOZ-DRSNIGMVSA-N 1 0 377.488 3.450 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190629736 1432425558 /nfs/dbraw/zinc/42/55/58/1432425558.db2.gz AOEAQACSKZTWJA-BEFAXECRSA-N 1 0 379.460 3.027 20 30 GGEDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190634224 1432427791 /nfs/dbraw/zinc/42/77/91/1432427791.db2.gz UELPVCIHJPRRNX-VXKWHMMOSA-N 1 0 395.478 3.036 20 30 GGEDRO CCOC(=O)[C@@H](CC)N(CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000190636534 1432427951 /nfs/dbraw/zinc/42/79/51/1432427951.db2.gz JFHXOWKOXWRZLF-MRXNPFEDSA-N 1 0 389.521 3.243 20 30 GGEDRO CCOC(=O)[C@H](CC)N(CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000190636512 1432427992 /nfs/dbraw/zinc/42/79/92/1432427992.db2.gz JFHXOWKOXWRZLF-INIZCTEOSA-N 1 0 389.521 3.243 20 30 GGEDRO C#CCOc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000190726400 1432457067 /nfs/dbraw/zinc/45/70/67/1432457067.db2.gz NRCNSGRTTQHMQN-UHFFFAOYSA-N 1 0 381.476 3.303 20 30 GGEDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)c2c(F)cccc2Cl)CCO1 ZINC000190770330 1432472572 /nfs/dbraw/zinc/47/25/72/1432472572.db2.gz OJPCEBVXPRVQAN-KUHUBIRLSA-N 1 0 390.890 3.241 20 30 GGEDRO Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190789023 1432480411 /nfs/dbraw/zinc/48/04/11/1432480411.db2.gz STPRAAFKYCANJG-UHFFFAOYSA-N 1 0 378.476 3.355 20 30 GGEDRO CCC[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000190921960 1432529787 /nfs/dbraw/zinc/52/97/87/1432529787.db2.gz TXWCAKLTYUSPGS-NRFANRHFSA-N 1 0 379.508 3.394 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000191253657 1432606534 /nfs/dbraw/zinc/60/65/34/1432606534.db2.gz FXSALLFJYPXFSQ-UTKZUKDTSA-N 1 0 395.503 3.388 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000191253672 1432606752 /nfs/dbraw/zinc/60/67/52/1432606752.db2.gz FXSALLFJYPXFSQ-LAUBAEHRSA-N 1 0 395.503 3.388 20 30 GGEDRO COCCN(C)c1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000191276819 1432618306 /nfs/dbraw/zinc/61/83/06/1432618306.db2.gz DQZUBHHRIJEGKQ-UHFFFAOYSA-N 1 0 377.410 3.324 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](CCc2ccccc2)Cc2cccnc2)cc1 ZINC000191355610 1432639833 /nfs/dbraw/zinc/63/98/33/1432639833.db2.gz CGGHKDMXILCEBI-QHCPKHFHSA-N 1 0 387.483 3.438 20 30 GGEDRO CCOC(=O)[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000191517640 1432677225 /nfs/dbraw/zinc/67/72/25/1432677225.db2.gz YRDZJXNGOJCQRB-QFIPXVFZSA-N 1 0 393.487 3.122 20 30 GGEDRO COC(=O)[C@@H](O)C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000191591107 1432688153 /nfs/dbraw/zinc/68/81/53/1432688153.db2.gz YJTDBTLVZLCHKG-QFIPXVFZSA-N 1 0 392.499 3.132 20 30 GGEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(c3ccnn3CC)C2=O)ccc1OC ZINC000191637942 1432697787 /nfs/dbraw/zinc/69/77/87/1432697787.db2.gz PFYNZGCSPUSDGV-GOSISDBHSA-N 1 0 398.507 3.152 20 30 GGEDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(N(C)CCC#N)cc3)C2=O)cc1 ZINC000191806260 1432729402 /nfs/dbraw/zinc/72/94/02/1432729402.db2.gz RLOXHACREXIULR-JOCHJYFZSA-N 1 0 376.504 3.236 20 30 GGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000191808191 1432729852 /nfs/dbraw/zinc/72/98/52/1432729852.db2.gz CILDXXJHTGNURP-HXUWFJFHSA-N 1 0 380.488 3.459 20 30 GGEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](c1ccco1)N(C)C ZINC000191917152 1432755447 /nfs/dbraw/zinc/75/54/47/1432755447.db2.gz BIERVSLAVXDKAT-GOSISDBHSA-N 1 0 383.492 3.489 20 30 GGEDRO COc1ccc(CCC(=O)N2CCCN(Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000191979992 1432773473 /nfs/dbraw/zinc/77/34/73/1432773473.db2.gz GFXVEABCZCICRY-UHFFFAOYSA-N 1 0 395.478 3.373 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000192051050 1432787874 /nfs/dbraw/zinc/78/78/74/1432787874.db2.gz IOELCSHAKOKMCV-BMGDILEWSA-N 1 0 375.900 3.491 20 30 GGEDRO C#CCCCC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000192070084 1432792558 /nfs/dbraw/zinc/79/25/58/1432792558.db2.gz GUUDHCRGVCMMTM-UHFFFAOYSA-N 1 0 375.516 3.429 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCCCC1 ZINC000192086515 1432795748 /nfs/dbraw/zinc/79/57/48/1432795748.db2.gz TYNUSBOZYMKBMF-FUHWJXTLSA-N 1 0 379.863 3.241 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192125749 1432802228 /nfs/dbraw/zinc/80/22/28/1432802228.db2.gz PGTCDBZXWZOBLR-AEFFLSMTSA-N 1 0 375.375 3.105 20 30 GGEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192126274 1432802454 /nfs/dbraw/zinc/80/24/54/1432802454.db2.gz URFOZCUMHZYHNL-CNOZUTPLSA-N 1 0 389.402 3.493 20 30 GGEDRO CN(C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1(C#N)CCCCC1 ZINC000192139408 1432805345 /nfs/dbraw/zinc/80/53/45/1432805345.db2.gz MNEYMDLCHMNSKL-HKUYNNGSSA-N 1 0 377.435 3.069 20 30 GGEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192206060 1432815926 /nfs/dbraw/zinc/81/59/26/1432815926.db2.gz PAGRHMZJWHMFCA-OAHLLOKOSA-N 1 0 387.480 3.430 20 30 GGEDRO N#CCSc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192220485 1432818522 /nfs/dbraw/zinc/81/85/22/1432818522.db2.gz GNTWJWNATGGRRX-HXUWFJFHSA-N 1 0 395.528 3.323 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(Oc4cnccn4)cc3)C2=O)cc1 ZINC000192243004 1432821504 /nfs/dbraw/zinc/82/15/04/1432821504.db2.gz ISGQUOCPDGVIKP-NRFANRHFSA-N 1 0 399.454 3.031 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000192242353 1432821510 /nfs/dbraw/zinc/82/15/10/1432821510.db2.gz AQKVJOHUUZFDJU-QHCPKHFHSA-N 1 0 388.515 3.439 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000192242349 1432821585 /nfs/dbraw/zinc/82/15/85/1432821585.db2.gz AQKVJOHUUZFDJU-HSZRJFAPSA-N 1 0 388.515 3.439 20 30 GGEDRO CCCOc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC ZINC000192244852 1432821702 /nfs/dbraw/zinc/82/17/02/1432821702.db2.gz NAKNZFMVVMSKRZ-HXUWFJFHSA-N 1 0 393.487 3.246 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000192245351 1432821980 /nfs/dbraw/zinc/82/19/80/1432821980.db2.gz YMOLKQHEUDSXSE-SFHVURJKSA-N 1 0 389.377 3.348 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000192245345 1432822037 /nfs/dbraw/zinc/82/20/37/1432822037.db2.gz YMOLKQHEUDSXSE-GOSISDBHSA-N 1 0 389.377 3.348 20 30 GGEDRO CCCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000192245226 1432822056 /nfs/dbraw/zinc/82/20/56/1432822056.db2.gz HDCFUWYYJXVFGN-FQEVSTJZSA-N 1 0 393.487 3.246 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192357070 1432836102 /nfs/dbraw/zinc/83/61/02/1432836102.db2.gz VKRGTMWBQMNMKH-CVDCTZTESA-N 1 0 379.504 3.358 20 30 GGEDRO COC(=O)[C@@H](C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCC1 ZINC000192379300 1432839415 /nfs/dbraw/zinc/83/94/15/1432839415.db2.gz SPXCXMPDAXREOI-CYBMUJFWSA-N 1 0 389.521 3.243 20 30 GGEDRO COCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000192562816 1432860563 /nfs/dbraw/zinc/86/05/63/1432860563.db2.gz CDILPIBGVBSHKI-UHFFFAOYSA-N 1 0 378.476 3.444 20 30 GGEDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCC1 ZINC000192963179 1432913959 /nfs/dbraw/zinc/91/39/59/1432913959.db2.gz QEZMWTZJWIPMJE-FQEVSTJZSA-N 1 0 398.551 3.443 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 ZINC000193045775 1432927185 /nfs/dbraw/zinc/92/71/85/1432927185.db2.gz ZKZWUPFVMIFIMC-LJQANCHMSA-N 1 0 384.524 3.053 20 30 GGEDRO Cn1nc2c(cc1=O)C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC2 ZINC000193060723 1432930062 /nfs/dbraw/zinc/93/00/62/1432930062.db2.gz OFHSVJDLXHYDPN-UHFFFAOYSA-N 1 0 384.483 3.038 20 30 GGEDRO CC(C)NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(N(C)C)cc1 ZINC000193074977 1432932498 /nfs/dbraw/zinc/93/24/98/1432932498.db2.gz PPAFONUBEWYSID-UHFFFAOYSA-O 1 0 378.468 3.255 20 30 GGEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000193153362 1432945943 /nfs/dbraw/zinc/94/59/43/1432945943.db2.gz YNBZGRPXARAPSD-UHFFFAOYSA-N 1 0 383.883 3.309 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cnc(-c4ccco4)s3)C2=O)cc1 ZINC000193244544 1432966824 /nfs/dbraw/zinc/96/68/24/1432966824.db2.gz METVLMBPZZIULC-QGZVFWFLSA-N 1 0 378.457 3.165 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000193354910 1432984831 /nfs/dbraw/zinc/98/48/31/1432984831.db2.gz HWNJDPYGOLTKBE-SFTDATJTSA-N 1 0 390.443 3.235 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000193354898 1432984885 /nfs/dbraw/zinc/98/48/85/1432984885.db2.gz HWNJDPYGOLTKBE-NHCUHLMSSA-N 1 0 390.443 3.235 20 30 GGEDRO N#CCOc1ccccc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000193551252 1433018553 /nfs/dbraw/zinc/01/85/53/1433018553.db2.gz FZHAJXQEKKTAEI-UHFFFAOYSA-N 1 0 390.487 3.373 20 30 GGEDRO Cc1ccc(Cl)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000193573182 1433021912 /nfs/dbraw/zinc/02/19/12/1433021912.db2.gz JGEUPFCAZCOTHI-UHFFFAOYSA-N 1 0 398.894 3.049 20 30 GGEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000193580187 1433022997 /nfs/dbraw/zinc/02/29/97/1433022997.db2.gz HQRVMUWVEAQCGR-UHFFFAOYSA-N 1 0 390.487 3.141 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000193751629 1433052156 /nfs/dbraw/zinc/05/21/56/1433052156.db2.gz DLLOJFCQLBKJIU-IBGZPJMESA-N 1 0 392.503 3.246 20 30 GGEDRO CC[N@H+](CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193757457 1433053720 /nfs/dbraw/zinc/05/37/20/1433053720.db2.gz UZYPPXGKLGEJQG-SFHVURJKSA-N 1 0 398.551 3.047 20 30 GGEDRO CC1CCN(Cc2csc(NC(=O)CSc3cc(C#N)ccn3)n2)CC1 ZINC000193833336 1433068964 /nfs/dbraw/zinc/06/89/64/1433068964.db2.gz SVXZCWUUSSCDEE-UHFFFAOYSA-N 1 0 387.534 3.372 20 30 GGEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193849732 1433072696 /nfs/dbraw/zinc/07/26/96/1433072696.db2.gz FGIHBOHJZXTPIY-KRWDZBQOSA-N 1 0 382.439 3.372 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)c2ccccc2OCC#N)[NH+]2CCCC2)c1 ZINC000194042810 1433106172 /nfs/dbraw/zinc/10/61/72/1433106172.db2.gz CZGFFDVXWHENEJ-HXUWFJFHSA-N 1 0 379.460 3.164 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3OCC#N)c(C)c2)CC1 ZINC000194108554 1433118971 /nfs/dbraw/zinc/11/89/71/1433118971.db2.gz ITPJBVHVTQCCTP-UHFFFAOYSA-N 1 0 378.476 3.292 20 30 GGEDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)([NH+](C)C)C1 ZINC000194143872 1433125804 /nfs/dbraw/zinc/12/58/04/1433125804.db2.gz RWIUJRZUVPQIFH-ZHRRBRCNSA-N 1 0 384.524 3.053 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000194248367 1433148572 /nfs/dbraw/zinc/14/85/72/1433148572.db2.gz KNTMMDVJKXJCQJ-MRXNPFEDSA-N 1 0 390.503 3.225 20 30 GGEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194425691 1433176003 /nfs/dbraw/zinc/17/60/03/1433176003.db2.gz WFVPJRUUUSEASI-NRFANRHFSA-N 1 0 379.479 3.493 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccccc3OCC#N)CC2)cc1 ZINC000194514345 1433190855 /nfs/dbraw/zinc/19/08/55/1433190855.db2.gz BWVSLJQMJWXWOZ-UHFFFAOYSA-N 1 0 393.487 3.240 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000194556525 1433196769 /nfs/dbraw/zinc/19/67/69/1433196769.db2.gz PIOXVQYGQCMXDN-GOSISDBHSA-N 1 0 396.491 3.219 20 30 GGEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000194557846 1433197053 /nfs/dbraw/zinc/19/70/53/1433197053.db2.gz TVRFXEKAPUVDDS-MRXNPFEDSA-N 1 0 395.463 3.301 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000194712886 1433218792 /nfs/dbraw/zinc/21/87/92/1433218792.db2.gz ARWRGECXWARJRV-JOCHJYFZSA-N 1 0 377.488 3.453 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000194791161 1433233367 /nfs/dbraw/zinc/23/33/67/1433233367.db2.gz ITOOYLQYEXVPJC-UHFFFAOYSA-N 1 0 383.521 3.489 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000194895000 1433259000 /nfs/dbraw/zinc/25/90/00/1433259000.db2.gz LVBPHGDXYLNQSB-UTKZUKDTSA-N 1 0 378.476 3.086 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000194895031 1433259485 /nfs/dbraw/zinc/25/94/85/1433259485.db2.gz LVBPHGDXYLNQSB-DYESRHJHSA-N 1 0 378.476 3.086 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1OCCCC#N ZINC000194933492 1433267578 /nfs/dbraw/zinc/26/75/78/1433267578.db2.gz WKQIZZFLPOBLEK-KRWDZBQOSA-N 1 0 399.495 3.206 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(CO)c1 ZINC000194971332 1433274769 /nfs/dbraw/zinc/27/47/69/1433274769.db2.gz FWVNWAGBOHEPPH-HNNXBMFYSA-O 1 0 383.537 3.282 20 30 GGEDRO CSc1nn(-c2ccccc2)c(NC(=O)C2CC[NH+](C3CC3)CC2)c1C#N ZINC000195312565 1433318116 /nfs/dbraw/zinc/31/81/16/1433318116.db2.gz XUZHAFGAWDZREL-UHFFFAOYSA-N 1 0 381.505 3.279 20 30 GGEDRO Cc1oc(-c2ccco2)nc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000195447655 1433330677 /nfs/dbraw/zinc/33/06/77/1433330677.db2.gz PDIOPZIFHBPZBK-UHFFFAOYSA-N 1 0 392.459 3.248 20 30 GGEDRO C[N@H+](CCNC(=O)NCCSCc1ccccc1C#N)Cc1ccccc1 ZINC000195614345 1433341933 /nfs/dbraw/zinc/34/19/33/1433341933.db2.gz VVLXKSYLSXBYSF-UHFFFAOYSA-N 1 0 382.533 3.223 20 30 GGEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000195636004 1433342651 /nfs/dbraw/zinc/34/26/51/1433342651.db2.gz QMLATNNJCBGEHK-CVEARBPZSA-N 1 0 381.442 3.477 20 30 GGEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000195731840 1433346102 /nfs/dbraw/zinc/34/61/02/1433346102.db2.gz NGCHWOORMULNPI-XZOQPEGZSA-N 1 0 388.515 3.060 20 30 GGEDRO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000229125756 1433371802 /nfs/dbraw/zinc/37/18/02/1433371802.db2.gz ISOVRUGUIQLSHH-NVJIOZQYSA-N 1 0 396.579 3.395 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000237491179 1433405872 /nfs/dbraw/zinc/40/58/72/1433405872.db2.gz VNBDBIPDBUUOON-JTSKRJEESA-N 1 0 383.467 3.280 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000237494219 1433406070 /nfs/dbraw/zinc/40/60/70/1433406070.db2.gz GZHPRHRRBVCJGR-SFHVURJKSA-N 1 0 379.504 3.476 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000237498814 1433406524 /nfs/dbraw/zinc/40/65/24/1433406524.db2.gz HTASSUPSGOYOSE-IRXDYDNUSA-N 1 0 393.487 3.486 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000237598915 1433411906 /nfs/dbraw/zinc/41/19/06/1433411906.db2.gz BDNKYMXCRDBATH-MRXNPFEDSA-N 1 0 383.467 3.367 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000237606061 1433412234 /nfs/dbraw/zinc/41/22/34/1433412234.db2.gz HTASSUPSGOYOSE-IAGOWNOFSA-N 1 0 393.487 3.486 20 30 GGEDRO C#CCOc1ccc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC000238044080 1433440868 /nfs/dbraw/zinc/44/08/68/1433440868.db2.gz WKYXNPUJLXDGBB-KRWDZBQOSA-N 1 0 379.378 3.247 20 30 GGEDRO C[C@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245201353 1433454916 /nfs/dbraw/zinc/45/49/16/1433454916.db2.gz HQWUOULFYQHYLO-FGTMMUONSA-N 1 0 391.519 3.016 20 30 GGEDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000245391928 1433458954 /nfs/dbraw/zinc/45/89/54/1433458954.db2.gz SDSQMOAHPMYSCL-UXHICEINSA-N 1 0 398.551 3.259 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H]([NH+]4CCCC4)C3)sc2C1 ZINC000245399019 1433460288 /nfs/dbraw/zinc/46/02/88/1433460288.db2.gz VJHZKKGQAUCDAM-HZPDHXFCSA-N 1 0 386.565 3.243 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000245435327 1433466938 /nfs/dbraw/zinc/46/69/38/1433466938.db2.gz QJXSCULYKRGOQC-OFNKIYASSA-N 1 0 380.488 3.060 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245444301 1433468621 /nfs/dbraw/zinc/46/86/21/1433468621.db2.gz JMUFTBSZBFZPNS-UXHICEINSA-N 1 0 398.551 3.138 20 30 GGEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245458392 1433472006 /nfs/dbraw/zinc/47/20/06/1433472006.db2.gz UVQFYMHJIZWJCG-HOTGVXAUSA-N 1 0 386.565 3.243 20 30 GGEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245460219 1433472315 /nfs/dbraw/zinc/47/23/15/1433472315.db2.gz VQNKHCKJZJGRLQ-WIYYLYMNSA-N 1 0 376.504 3.339 20 30 GGEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000245483710 1433476332 /nfs/dbraw/zinc/47/63/32/1433476332.db2.gz FZQLENXEYLDFRH-OAGGEKHMSA-N 1 0 386.565 3.383 20 30 GGEDRO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537704 1433482532 /nfs/dbraw/zinc/48/25/32/1433482532.db2.gz YLGWPKYCOUONRD-UXHICEINSA-N 1 0 377.492 3.241 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000245546649 1433483344 /nfs/dbraw/zinc/48/33/44/1433483344.db2.gz DLQJQBYPLRAXBS-VXKWHMMOSA-N 1 0 379.504 3.094 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000245546646 1433483390 /nfs/dbraw/zinc/48/33/90/1433483390.db2.gz DLQJQBYPLRAXBS-FCHUYYIVSA-N 1 0 379.504 3.094 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCCC[C@H]1O ZINC000245552420 1433484010 /nfs/dbraw/zinc/48/40/10/1433484010.db2.gz QKXHTSRSYJGIIX-WMLDXEAASA-N 1 0 375.538 3.310 20 30 GGEDRO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccccc1 ZINC000245572914 1433486902 /nfs/dbraw/zinc/48/69/02/1433486902.db2.gz CQWLEDNVSAXDFE-AKIFATBCSA-N 1 0 378.516 3.346 20 30 GGEDRO C#Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000245586065 1433488073 /nfs/dbraw/zinc/48/80/73/1433488073.db2.gz MHWZNLFMUCIWSS-FCHUYYIVSA-N 1 0 382.552 3.469 20 30 GGEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000245681191 1433498787 /nfs/dbraw/zinc/49/87/87/1433498787.db2.gz KNZHKEIJNFFVSL-KSZLIROESA-N 1 0 384.524 3.150 20 30 GGEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000245852132 1433526734 /nfs/dbraw/zinc/52/67/34/1433526734.db2.gz GMEPGBPNEZLXHP-WOJBJXKFSA-N 1 0 394.544 3.294 20 30 GGEDRO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245863668 1433529395 /nfs/dbraw/zinc/52/93/95/1433529395.db2.gz PLPNAYQTGMDAOT-FXAWDEMLSA-N 1 0 394.544 3.076 20 30 GGEDRO N#CCC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000245899668 1433537959 /nfs/dbraw/zinc/53/79/59/1433537959.db2.gz AQSMBLNKSKCDMT-PWRODBHTSA-N 1 0 384.524 3.099 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000245903693 1433538626 /nfs/dbraw/zinc/53/86/26/1433538626.db2.gz AKABTXBLZHKHRR-FXAWDEMLSA-N 1 0 392.503 3.287 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)C1 ZINC000245914587 1433541242 /nfs/dbraw/zinc/54/12/42/1433541242.db2.gz FHETXWIBXMZLSS-HLAWJBBLSA-N 1 0 386.540 3.468 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245914595 1433541452 /nfs/dbraw/zinc/54/14/52/1433541452.db2.gz FHETXWIBXMZLSS-JBACZVJFSA-N 1 0 386.540 3.468 20 30 GGEDRO C[C@H](C#N)Oc1ccc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000246018706 1433558235 /nfs/dbraw/zinc/55/82/35/1433558235.db2.gz URNQQBHRMNXPLF-IERDGZPVSA-N 1 0 378.476 3.039 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000246101193 1433568792 /nfs/dbraw/zinc/56/87/92/1433568792.db2.gz MGQDKDHPJJTNSN-JKSUJKDBSA-N 1 0 395.956 3.487 20 30 GGEDRO CC(C)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000246137709 1433573508 /nfs/dbraw/zinc/57/35/08/1433573508.db2.gz KEESOTHCZOUUBB-RBBKRZOGSA-N 1 0 386.467 3.129 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000246224333 1433583981 /nfs/dbraw/zinc/58/39/81/1433583981.db2.gz VQFITTGERBCISJ-HZPDHXFCSA-N 1 0 395.956 3.487 20 30 GGEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000246252713 1433586729 /nfs/dbraw/zinc/58/67/29/1433586729.db2.gz AAGMVEWIMGSXRF-NHCUHLMSSA-N 1 0 378.476 3.268 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246262119 1433587419 /nfs/dbraw/zinc/58/74/19/1433587419.db2.gz YVFSKGUWQPNPTR-RTWAWAEBSA-N 1 0 382.552 3.356 20 30 GGEDRO COc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1C#N ZINC000246350440 1433599071 /nfs/dbraw/zinc/59/90/71/1433599071.db2.gz FIUMZBAMWFHVTE-RTWAWAEBSA-N 1 0 385.895 3.382 20 30 GGEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000246356616 1433600008 /nfs/dbraw/zinc/60/00/08/1433600008.db2.gz GJFGAAAXZJUWIG-PGRDOPGGSA-N 1 0 377.488 3.369 20 30 GGEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000246356626 1433600315 /nfs/dbraw/zinc/60/03/15/1433600315.db2.gz GJFGAAAXZJUWIG-XMSQKQJNSA-N 1 0 377.488 3.369 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000246375809 1433602994 /nfs/dbraw/zinc/60/29/94/1433602994.db2.gz MWRCERNUNLRFDK-IAGOWNOFSA-N 1 0 397.523 3.197 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3CCC[C@H]3O)sc2C1 ZINC000246390887 1433605669 /nfs/dbraw/zinc/60/56/69/1433605669.db2.gz HNDAGVFKCNBCPM-CKEIUWERSA-N 1 0 375.538 3.166 20 30 GGEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000246411418 1433608797 /nfs/dbraw/zinc/60/87/97/1433608797.db2.gz LAABHCBVUJYSST-ROUUACIJSA-N 1 0 384.524 3.231 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCCCC3)ccc2NC1=O ZINC000246450194 1433614415 /nfs/dbraw/zinc/61/44/15/1433614415.db2.gz UNSCNWXVKDCXFU-DAYGRLMNSA-N 1 0 398.507 3.178 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000246456978 1433615080 /nfs/dbraw/zinc/61/50/80/1433615080.db2.gz FOZSOLBBCSUBRE-BRWVUGGUSA-N 1 0 384.524 3.229 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000246453754 1433615349 /nfs/dbraw/zinc/61/53/49/1433615349.db2.gz FCBZPXJQFIXQSQ-RZUBCFFCSA-N 1 0 397.567 3.231 20 30 GGEDRO N#CCSc1ccccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246503704 1433622518 /nfs/dbraw/zinc/62/25/18/1433622518.db2.gz HVBYHODWMXQTDT-LPHOPBHVSA-N 1 0 384.549 3.189 20 30 GGEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000246545491 1433629075 /nfs/dbraw/zinc/62/90/75/1433629075.db2.gz SSXBNYAXISWYLF-PXNSSMCTSA-N 1 0 379.460 3.287 20 30 GGEDRO COC(=O)[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000246599122 1433637552 /nfs/dbraw/zinc/63/75/52/1433637552.db2.gz XHASJKNPLYAVHN-ZPMCFJSWSA-N 1 0 377.488 3.415 20 30 GGEDRO COC(=O)[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000246599077 1433637566 /nfs/dbraw/zinc/63/75/66/1433637566.db2.gz XHASJKNPLYAVHN-MTNREXPMSA-N 1 0 377.488 3.415 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000246601049 1433637742 /nfs/dbraw/zinc/63/77/42/1433637742.db2.gz QPSCTFONJBYFSB-HUUCEWRRSA-N 1 0 397.491 3.112 20 30 GGEDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246660902 1433646694 /nfs/dbraw/zinc/64/66/94/1433646694.db2.gz AJXDNRMCFHWCLE-ICPLQIHGSA-N 1 0 388.471 3.161 20 30 GGEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000246805640 1433670264 /nfs/dbraw/zinc/67/02/64/1433670264.db2.gz SYCVCHSPDRABQR-KKUMJFAQSA-N 1 0 375.538 3.308 20 30 GGEDRO C=CCn1c(-c2ccccn2)nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000246804296 1433670662 /nfs/dbraw/zinc/67/06/62/1433670662.db2.gz AFGFAAMUXPUMOO-SJLPKXTDSA-N 1 0 384.553 3.036 20 30 GGEDRO CCOC(=O)CC[C@H]1CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246868280 1433680454 /nfs/dbraw/zinc/68/04/54/1433680454.db2.gz WFUPRLWSFRLIOZ-GDBMZVCRSA-N 1 0 375.469 3.150 20 30 GGEDRO C=CCn1c(-c2ccncc2)nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000246904349 1433685704 /nfs/dbraw/zinc/68/57/04/1433685704.db2.gz GBFUFKVXRIDQNL-QZTJIDSGSA-N 1 0 384.553 3.036 20 30 GGEDRO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247206050 1433691009 /nfs/dbraw/zinc/69/10/09/1433691009.db2.gz XNTSHAGKRSNTKH-NVXWUHKLSA-N 1 0 384.524 3.086 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OCC)[C@@H](C)C1 ZINC000247218292 1433692751 /nfs/dbraw/zinc/69/27/51/1433692751.db2.gz MWEOGVSFJBRQOM-FUHWJXTLSA-N 1 0 388.512 3.215 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1C#N ZINC000247254790 1433696885 /nfs/dbraw/zinc/69/68/85/1433696885.db2.gz ZZIZZNOKFKVEIB-PZJWPPBQSA-N 1 0 394.519 3.056 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(SCC#N)c2)[C@@H](C)C1 ZINC000247277354 1433699082 /nfs/dbraw/zinc/69/90/82/1433699082.db2.gz XARKFTJTOXCASC-QFBILLFUSA-N 1 0 375.538 3.169 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)C1 ZINC000247286128 1433700446 /nfs/dbraw/zinc/70/04/46/1433700446.db2.gz SSQGDOYMLSVZSA-WMZOPIPTSA-N 1 0 389.544 3.373 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000247325842 1433706402 /nfs/dbraw/zinc/70/64/02/1433706402.db2.gz YACGLFXLCWHFBH-FYYLOGMGSA-N 1 0 380.488 3.022 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000247683583 1433746161 /nfs/dbraw/zinc/74/61/61/1433746161.db2.gz RXPCTLZJGITZFL-ZVDOUQERSA-N 1 0 384.476 3.259 20 30 GGEDRO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000248046653 1433765851 /nfs/dbraw/zinc/76/58/51/1433765851.db2.gz MPKSLWWXFPYEKH-IBGZPJMESA-N 1 0 382.552 3.246 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000248124277 1433771221 /nfs/dbraw/zinc/77/12/21/1433771221.db2.gz WITLCHOMOFDJFG-UHFFFAOYSA-N 1 0 393.535 3.127 20 30 GGEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@@H]1C ZINC000248333590 1433786690 /nfs/dbraw/zinc/78/66/90/1433786690.db2.gz FUOUHHZYVNDXNX-BRWVUGGUSA-N 1 0 384.524 3.086 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)c(OC)c1 ZINC000248595305 1433810160 /nfs/dbraw/zinc/81/01/60/1433810160.db2.gz MGKMXRKTNGEWKX-YVWKXTFCSA-N 1 0 383.488 3.318 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000248702066 1433816022 /nfs/dbraw/zinc/81/60/22/1433816022.db2.gz AJSKWHUXDWNRPF-DYESRHJHSA-N 1 0 379.529 3.428 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)C2=O)cc1 ZINC000248782416 1433822167 /nfs/dbraw/zinc/82/21/67/1433822167.db2.gz VNSPBRXZKHCBJJ-UFYCRDLUSA-N 1 0 385.533 3.040 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(OC)c1 ZINC000248781247 1433822248 /nfs/dbraw/zinc/82/22/48/1433822248.db2.gz WUEWYFDZXRSFFU-RDPSFJRHSA-N 1 0 395.499 3.295 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000248843923 1433825330 /nfs/dbraw/zinc/82/53/30/1433825330.db2.gz OBIRJKODPOXHSM-DYESRHJHSA-N 1 0 392.503 3.244 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000249064056 1433833552 /nfs/dbraw/zinc/83/35/52/1433833552.db2.gz PNXYBGJWJGAMKT-XPGWFJOJSA-N 1 0 390.842 3.210 20 30 GGEDRO CN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249727648 1433850061 /nfs/dbraw/zinc/85/00/61/1433850061.db2.gz QXOTWOAWVJFLER-MJGOQNOKSA-N 1 0 390.270 3.394 20 30 GGEDRO CCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000250010997 1433853874 /nfs/dbraw/zinc/85/38/74/1433853874.db2.gz KLQQEHDUANSKCN-XLIONFOSSA-N 1 0 381.476 3.037 20 30 GGEDRO C=CCC[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000250112822 1433854461 /nfs/dbraw/zinc/85/44/61/1433854461.db2.gz TYDRBKCICZOZEN-ZLNRFVROSA-N 1 0 378.516 3.488 20 30 GGEDRO CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000250279444 1433855447 /nfs/dbraw/zinc/85/54/47/1433855447.db2.gz BODWXXMIOYCHEY-FPOVZHCZSA-N 1 0 396.535 3.072 20 30 GGEDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000250525685 1433856642 /nfs/dbraw/zinc/85/66/42/1433856642.db2.gz QIFRACGXHGXAKT-UXHICEINSA-N 1 0 398.551 3.177 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000250997545 1433857585 /nfs/dbraw/zinc/85/75/85/1433857585.db2.gz XILCRSYGSBHVFX-NQIIRXRSSA-N 1 0 393.535 3.298 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000251016664 1433857644 /nfs/dbraw/zinc/85/76/44/1433857644.db2.gz WWAFNQHCURYCNV-IRXDYDNUSA-N 1 0 390.553 3.297 20 30 GGEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000253359845 1433866243 /nfs/dbraw/zinc/86/62/43/1433866243.db2.gz NMGIOLKZCHVDOR-ZCNNSNEGSA-N 1 0 398.551 3.339 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000253542691 1433868439 /nfs/dbraw/zinc/86/84/39/1433868439.db2.gz JBZHPGQAJBFCPO-VQIMIIECSA-N 1 0 398.551 3.321 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000253607654 1433870392 /nfs/dbraw/zinc/87/03/92/1433870392.db2.gz PMEAZZAIYKYDRS-QHCPKHFHSA-N 1 0 380.532 3.363 20 30 GGEDRO CCN(C(=O)[C@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000254935780 1433872575 /nfs/dbraw/zinc/87/25/75/1433872575.db2.gz FXDZZHCRTZMZLF-SFHVURJKSA-N 1 0 381.476 3.315 20 30 GGEDRO C[C@@H](CNC(=O)[C@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000254943292 1433872750 /nfs/dbraw/zinc/87/27/50/1433872750.db2.gz DBVIBJRJAMMHSU-OALUTQOASA-N 1 0 395.503 3.182 20 30 GGEDRO O=C(c1ccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1)N1CCCC1 ZINC000255115279 1433876821 /nfs/dbraw/zinc/87/68/21/1433876821.db2.gz OJPKRYIEQSQOAG-UHFFFAOYSA-N 1 0 393.487 3.310 20 30 GGEDRO Cc1ccc(NC(=O)[C@@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000255230026 1433878647 /nfs/dbraw/zinc/87/86/47/1433878647.db2.gz ZIOYWKRSSRGHPH-MRXNPFEDSA-N 1 0 385.439 3.348 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C=NOC)cc1 ZINC000255577760 1433885861 /nfs/dbraw/zinc/88/58/61/1433885861.db2.gz QKRSLSWHIACYPY-OAQYLSRUSA-N 1 0 380.492 3.189 20 30 GGEDRO CON=Cc1ccc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000255912167 1433891753 /nfs/dbraw/zinc/89/17/53/1433891753.db2.gz JUBXJJVCIOXSQZ-UHFFFAOYSA-N 1 0 380.492 3.450 20 30 GGEDRO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000255955913 1433892716 /nfs/dbraw/zinc/89/27/16/1433892716.db2.gz MSAGXZHRPOXGEN-HOTGVXAUSA-N 1 0 381.442 3.477 20 30 GGEDRO CC[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CCS[C@H](C(C)C)C1 ZINC000261654228 1433898283 /nfs/dbraw/zinc/89/82/83/1433898283.db2.gz AIIYJKOPATWTGT-SFHVURJKSA-N 1 0 386.569 3.115 20 30 GGEDRO CC[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CCS[C@@H](C(C)C)C1 ZINC000261654222 1433898287 /nfs/dbraw/zinc/89/82/87/1433898287.db2.gz AIIYJKOPATWTGT-GOSISDBHSA-N 1 0 386.569 3.115 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@H](Cc3ccc(F)cc3)C2)n1C ZINC000261657736 1433898319 /nfs/dbraw/zinc/89/83/19/1433898319.db2.gz AISWYDCBIUVIPL-GOSISDBHSA-N 1 0 398.530 3.215 20 30 GGEDRO C[NH+]=C(N[C@H](C)c1cccc(-n2cccn2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261664599 1433898450 /nfs/dbraw/zinc/89/84/50/1433898450.db2.gz OIPKYQWJPRJEOZ-XWPNQZOQSA-N 1 0 379.508 3.056 20 30 GGEDRO C[NH+]=C(Nc1cc(OC)c(OC)c(OC)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261666830 1433898513 /nfs/dbraw/zinc/89/85/13/1433898513.db2.gz GLKLAGWMJPNHQE-GDIGMMSISA-N 1 0 389.496 3.047 20 30 GGEDRO C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N1CCC(OC(C)(C)C)CC1 ZINC000261693088 1433899145 /nfs/dbraw/zinc/89/91/45/1433899145.db2.gz FIMMGLMPOPZIDK-INIZCTEOSA-N 1 0 392.613 3.350 20 30 GGEDRO CC[C@@H]1CN(C(NCc2nnc3n2CCCC3)=[NH+]C)CC[C@H]1c1ccccc1 ZINC000261743773 1433901119 /nfs/dbraw/zinc/90/11/19/1433901119.db2.gz KXLXMYHVFJVFAY-IEBWSBKVSA-N 1 0 380.540 3.206 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261747284 1433901795 /nfs/dbraw/zinc/90/17/95/1433901795.db2.gz NBLHIIGHAFNABB-OYSTVDSJSA-N 1 0 377.573 3.340 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261757097 1433902024 /nfs/dbraw/zinc/90/20/24/1433902024.db2.gz METDCYSVIWQQOD-HSZRJFAPSA-N 1 0 392.551 3.060 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261758188 1433902038 /nfs/dbraw/zinc/90/20/38/1433902038.db2.gz OALUUDMYMQBLMI-ZIAGYGMSSA-N 1 0 386.466 3.038 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(Cl)c2)CCOCC1)N(C)Cc1ccon1 ZINC000261768536 1433902564 /nfs/dbraw/zinc/90/25/64/1433902564.db2.gz NUBOWXWTFAEVKY-UHFFFAOYSA-N 1 0 376.888 3.084 20 30 GGEDRO [NH2+]=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000261788292 1433904301 /nfs/dbraw/zinc/90/43/01/1433904301.db2.gz LTNQZHYVYSHYII-GOSISDBHSA-N 1 0 376.504 3.341 20 30 GGEDRO C[NH+]=C(NCCc1nc(C)c(C)s1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000261807293 1433904892 /nfs/dbraw/zinc/90/48/92/1433904892.db2.gz SCRXHWADOFUDAT-UHFFFAOYSA-N 1 0 394.928 3.092 20 30 GGEDRO C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261846068 1433906689 /nfs/dbraw/zinc/90/66/89/1433906689.db2.gz SKRIEYJEPJFNQF-XMMPIXPASA-N 1 0 396.579 3.190 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N1CCN(c2cccs2)CC1 ZINC000261863263 1433907592 /nfs/dbraw/zinc/90/75/92/1433907592.db2.gz ZORJDFPODPLSFH-WMZOPIPTSA-N 1 0 378.586 3.287 20 30 GGEDRO CC[NH+]=C(NCc1ccccc1CN1CCCC1=O)N1CCSC(C)(C)C1 ZINC000261930666 1433913466 /nfs/dbraw/zinc/91/34/66/1433913466.db2.gz LNQAYUHLKGBXIB-UHFFFAOYSA-N 1 0 388.581 3.102 20 30 GGEDRO C[NH+]=C(NCc1cccnc1Oc1cccc(F)c1)N1CC[C@@]2(CCOC2)C1 ZINC000261937909 1433914401 /nfs/dbraw/zinc/91/44/01/1433914401.db2.gz CYAMQUBUPBFRSO-OAQYLSRUSA-N 1 0 384.455 3.201 20 30 GGEDRO Cc1nnc(CNC(N[C@H](C)c2ccc(F)c(F)c2)=[NH+]C2CCCC2)n1C ZINC000261936657 1433914467 /nfs/dbraw/zinc/91/44/67/1433914467.db2.gz CPVUXUNJKCWUQR-GFCCVEGCSA-N 1 0 376.455 3.141 20 30 GGEDRO CC[NH+]=C(NCc1cc(C)cc2c(C)c(C)[nH]c21)N[C@@H]1CCN(C(=O)CC)C1 ZINC000261943818 1433914635 /nfs/dbraw/zinc/91/46/35/1433914635.db2.gz FGTTUFZJRIENKP-GOSISDBHSA-N 1 0 383.540 3.159 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@@H](c3ccccc3C)C2)n1C ZINC000261950206 1433915330 /nfs/dbraw/zinc/91/53/30/1433915330.db2.gz HEIPXPMGEUMUSZ-GOSISDBHSA-N 1 0 380.540 3.310 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N(C)Cc2c(F)cccc2Cl)n1C ZINC000261950199 1433915433 /nfs/dbraw/zinc/91/54/33/1433915433.db2.gz HECNCPLGSSHGRD-UHFFFAOYSA-N 1 0 392.910 3.436 20 30 GGEDRO CC[NH+]=C(NCc1ccc(OC)cc1C(F)(F)F)N1CC[C@]2(CCOC2)C1 ZINC000261948127 1433915501 /nfs/dbraw/zinc/91/55/01/1433915501.db2.gz GMGHFUJVNYNUBW-SFHVURJKSA-N 1 0 385.430 3.292 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCCC2)N2CC[C@@H](Cc3ccccc3)C2)n1C ZINC000261954695 1433915956 /nfs/dbraw/zinc/91/59/56/1433915956.db2.gz IMOXZMIQNURLTG-FQEVSTJZSA-N 1 0 394.567 3.466 20 30 GGEDRO C[NH+]=C(NCc1cccc(OC)c1OC1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261959698 1433916273 /nfs/dbraw/zinc/91/62/73/1433916273.db2.gz JTXBSSNMDDTAMF-QFIPXVFZSA-N 1 0 387.524 3.204 20 30 GGEDRO CC[NH+]=C(NCCc1ccc(F)c(Br)c1)N1CC[C@@]2(CCOC2)C1 ZINC000261958608 1433916317 /nfs/dbraw/zinc/91/63/17/1433916317.db2.gz JNIBZLAFQGTPPI-GOSISDBHSA-N 1 0 398.320 3.209 20 30 GGEDRO CC[NH+]=C(NCCc1coc(-c2ccc(C)cc2)n1)N1CC[C@@]2(CCOC2)C1 ZINC000261958125 1433916374 /nfs/dbraw/zinc/91/63/74/1433916374.db2.gz JIIZTQTVIRQTKP-JOCHJYFZSA-N 1 0 382.508 3.270 20 30 GGEDRO C[NH+]=C(NCc1ccccc1-n1nc(C)cc1C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261958597 1433916427 /nfs/dbraw/zinc/91/64/27/1433916427.db2.gz JNDVOJNLSFTDGQ-CEWLAPEOSA-N 1 0 393.535 3.112 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000261967113 1433917580 /nfs/dbraw/zinc/91/75/80/1433917580.db2.gz LSPXLHAWLYVFSL-NEPJUHHUSA-N 1 0 386.447 3.017 20 30 GGEDRO COc1ccccc1N1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000261966744 1433917654 /nfs/dbraw/zinc/91/76/54/1433917654.db2.gz BPKOTRPDCSCBKM-INIZCTEOSA-N 1 0 396.491 3.110 20 30 GGEDRO C[NH+]=C(NCc1nnc(C)n1C)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000261973061 1433918313 /nfs/dbraw/zinc/91/83/13/1433918313.db2.gz NFGZXOFNKBIEMS-UHFFFAOYSA-N 1 0 392.960 3.109 20 30 GGEDRO CC[NH+]=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CC[C@]2(CCOC2)C1 ZINC000261978986 1433918478 /nfs/dbraw/zinc/91/84/78/1433918478.db2.gz OLZLWZPCWQJIGY-IBGZPJMESA-N 1 0 379.426 3.135 20 30 GGEDRO CC(C)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCO2 ZINC000261985470 1433919081 /nfs/dbraw/zinc/91/90/81/1433919081.db2.gz JULKULYATXCMMK-UHFFFAOYSA-N 1 0 383.448 3.281 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261982018 1433919117 /nfs/dbraw/zinc/91/91/17/1433919117.db2.gz PBKFEILWRRBNLC-LAUBAEHRSA-N 1 0 390.959 3.163 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261982020 1433919147 /nfs/dbraw/zinc/91/91/47/1433919147.db2.gz PBKFEILWRRBNLC-UWJYYQICSA-N 1 0 390.959 3.163 20 30 GGEDRO C[NH+]=C(NCc1cc(F)ccc1SC)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261982562 1433919173 /nfs/dbraw/zinc/91/91/73/1433919173.db2.gz PEYHKNJPSJSOIV-YOEHRIQHSA-N 1 0 375.517 3.403 20 30 GGEDRO [NH2+]=C(NC[C@](O)(c1ccccc1)C(F)(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000261989474 1433919790 /nfs/dbraw/zinc/91/97/90/1433919790.db2.gz LHCMNIFEVSGNJZ-SFHVURJKSA-N 1 0 395.381 3.025 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000261996011 1433919994 /nfs/dbraw/zinc/91/99/94/1433919994.db2.gz SLIVBMZJCHWATC-KRWDZBQOSA-N 1 0 395.555 3.031 20 30 GGEDRO Cc1nnc(CNC(N[C@@H]2CCOc3ccccc32)=[NH+]CC2CCCCC2)n1C ZINC000261993007 1433920280 /nfs/dbraw/zinc/92/02/80/1433920280.db2.gz RUTLFSWHAFILOB-LJQANCHMSA-N 1 0 396.539 3.263 20 30 GGEDRO C[NH+]=C(NCc1cn2ccccc2n1)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000262002122 1433921131 /nfs/dbraw/zinc/92/11/31/1433921131.db2.gz UQQSMHAUPCTBEP-QGZVFWFLSA-N 1 0 376.508 3.361 20 30 GGEDRO Cc1nnc(CNC(N[C@@H]2CCOc3ccccc32)=[NH+][C@H]2CCC[C@@H](C)C2)n1C ZINC000262012261 1433921603 /nfs/dbraw/zinc/92/16/03/1433921603.db2.gz WWMIISBASLXZKC-HHXXYDBFSA-N 1 0 396.539 3.261 20 30 GGEDRO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000262011330 1433921654 /nfs/dbraw/zinc/92/16/54/1433921654.db2.gz WPVOWJXETBHCMA-HSZRJFAPSA-N 1 0 392.551 3.125 20 30 GGEDRO C[NH+]=C(NCc1ccc(Br)s1)N1CCC(OCC2CC2)CC1 ZINC000262011045 1433921836 /nfs/dbraw/zinc/92/18/36/1433921836.db2.gz VCFPRBNKQOCQIL-UHFFFAOYSA-N 1 0 386.359 3.477 20 30 GGEDRO Cc1nnc(CNC(NCc2oc3ccccc3c2C)=[NH+]C2CCCC2)n1C ZINC000262014065 1433922009 /nfs/dbraw/zinc/92/20/09/1433922009.db2.gz XGUADCKLSGMULE-UHFFFAOYSA-N 1 0 380.496 3.356 20 30 GGEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000262018552 1433923008 /nfs/dbraw/zinc/92/30/08/1433923008.db2.gz WYGMFRANEVPSIH-UHFFFAOYSA-N 1 0 377.828 3.055 20 30 GGEDRO C[NH+]=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)NCC1CCSCC1 ZINC000262044178 1433924296 /nfs/dbraw/zinc/92/42/96/1433924296.db2.gz YQVAXWNMJMJOSH-OAHLLOKOSA-N 1 0 376.353 3.335 20 30 GGEDRO C[NH+]=C(NC[C@@H](O)c1ccccc1)N(C)Cc1ccc(Br)s1 ZINC000262210034 1433930992 /nfs/dbraw/zinc/93/09/92/1433930992.db2.gz JOMYOCAKSPNMFS-CQSZACIVSA-N 1 0 382.327 3.251 20 30 GGEDRO C[C@@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1ccc2ccccc2c1 ZINC000262230741 1433931788 /nfs/dbraw/zinc/93/17/88/1433931788.db2.gz NBUWJRLTLLDXBF-CVEARBPZSA-N 1 0 385.533 3.033 20 30 GGEDRO CN(C)C(=O)CNC(N[C@@H]1CCOc2ccccc21)=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000262241563 1433932197 /nfs/dbraw/zinc/93/21/97/1433932197.db2.gz ACFUTLUPNWEPCW-JRBPQWBISA-N 1 0 398.551 3.102 20 30 GGEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000262246987 1433932254 /nfs/dbraw/zinc/93/22/54/1433932254.db2.gz BKDGFJPRSNXILG-LJQANCHMSA-N 1 0 385.533 3.187 20 30 GGEDRO [NH2+]=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1cc(F)ccc1F ZINC000262279623 1433933464 /nfs/dbraw/zinc/93/34/64/1433933464.db2.gz KNYHEILTAFYGSI-SFHVURJKSA-N 1 0 394.853 3.418 20 30 GGEDRO CC[NH+]=C(NCCc1nnc2n1CCCCC2)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262291811 1433933732 /nfs/dbraw/zinc/93/37/32/1433933732.db2.gz XSGGSESYZVLSPO-GBESFXJTSA-N 1 0 386.588 3.461 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H](COCc2ccccc2)C1 ZINC000262329781 1433935395 /nfs/dbraw/zinc/93/53/95/1433935395.db2.gz ARDURQINAUFYNT-BURNTYAHSA-N 1 0 385.552 3.304 20 30 GGEDRO CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2cc(C(C)(C)C)ccc21 ZINC000262349931 1433936227 /nfs/dbraw/zinc/93/62/27/1433936227.db2.gz FAVRFUFCPWOMFQ-MRXNPFEDSA-N 1 0 391.581 3.137 20 30 GGEDRO O=S1(=O)CC[C@H](CNC(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)=[NH+]C2CCCC2)C1 ZINC000262352830 1433936229 /nfs/dbraw/zinc/93/62/29/1433936229.db2.gz FKOZQXGYIVZZOF-DOADOZAASA-N 1 0 395.613 3.258 20 30 GGEDRO CC(C)C[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+][C@@H]2CCCC[C@@H]2C)C1 ZINC000262355744 1433936453 /nfs/dbraw/zinc/93/64/53/1433936453.db2.gz FVXXOQAYIWQVRB-LWYYNNOASA-N 1 0 397.629 3.313 20 30 GGEDRO C[C@@H]1CC[C@H]([NH+]=C(NCc2cccs2)NC[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000262367288 1433936655 /nfs/dbraw/zinc/93/66/55/1433936655.db2.gz HYFMDBWKELRWSZ-NCOADZHNSA-N 1 0 397.610 3.043 20 30 GGEDRO CCC1(CC)CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1 ZINC000262365759 1433936771 /nfs/dbraw/zinc/93/67/71/1433936771.db2.gz HQSQIESPLHJZSK-QGZVFWFLSA-N 1 0 383.602 3.212 20 30 GGEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H](C)c1cccc2ccccc21 ZINC000262371926 1433936963 /nfs/dbraw/zinc/93/69/63/1433936963.db2.gz ISNYRGKDYLNAOU-SJORKVTESA-N 1 0 387.549 3.279 20 30 GGEDRO [NH2+]=C(NC[C@@H](O)c1c(Cl)cccc1Cl)N[C@H]1CCOc2ccccc21 ZINC000262373485 1433937058 /nfs/dbraw/zinc/93/70/58/1433937058.db2.gz JANUBMMPYJBYEC-LSDHHAIUSA-N 1 0 380.275 3.455 20 30 GGEDRO CC(C)[C@@H]1CCC[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1 ZINC000262380364 1433937166 /nfs/dbraw/zinc/93/71/66/1433937166.db2.gz KILHARJESPWVNM-SCTDSRPQSA-N 1 0 383.602 3.114 20 30 GGEDRO [NH2+]=C(NCC(=O)N1CCCc2ccccc21)Nc1cccc(OC(F)(F)F)c1 ZINC000262376492 1433937171 /nfs/dbraw/zinc/93/71/71/1433937171.db2.gz NFTXSSAHDRUWSN-UHFFFAOYSA-N 1 0 392.381 3.291 20 30 GGEDRO CN(Cc1cccc(Cl)c1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262381197 1433937184 /nfs/dbraw/zinc/93/71/84/1433937184.db2.gz KLPCOSVUKNJCIZ-MRXNPFEDSA-N 1 0 397.972 3.095 20 30 GGEDRO [NH2+]=C(NCc1cc(Cl)cc2c1OCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262378787 1433937246 /nfs/dbraw/zinc/93/72/46/1433937246.db2.gz NSLIVXILHFBWHY-UHFFFAOYSA-N 1 0 398.938 3.344 20 30 GGEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H](C)c1ccc2ccccc2c1 ZINC000262397049 1433937534 /nfs/dbraw/zinc/93/75/34/1433937534.db2.gz NCVYNRFTMVMBFS-IRXDYDNUSA-N 1 0 387.549 3.279 20 30 GGEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H](C)c1ccc2ccccc2c1 ZINC000262397045 1433937631 /nfs/dbraw/zinc/93/76/31/1433937631.db2.gz NCVYNRFTMVMBFS-DLBZAZTESA-N 1 0 387.549 3.279 20 30 GGEDRO CC[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262397853 1433937845 /nfs/dbraw/zinc/93/78/45/1433937845.db2.gz NFYSQAFYJVNIHN-ZLKJLUDKSA-N 1 0 390.475 3.421 20 30 GGEDRO C[C@@H]1CC[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C[C@@H]1C ZINC000262406413 1433938044 /nfs/dbraw/zinc/93/80/44/1433938044.db2.gz OQNSKKJNJATDPE-DFEOGRTESA-N 1 0 383.602 3.114 20 30 GGEDRO Cc1cnc([C@H](C)CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000262411420 1433938156 /nfs/dbraw/zinc/93/81/56/1433938156.db2.gz XPNXQMVJSNVWGL-CYBMUJFWSA-N 1 0 377.945 3.345 20 30 GGEDRO Cc1cnc([C@@H](C)CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000262411422 1433938223 /nfs/dbraw/zinc/93/82/23/1433938223.db2.gz XPNXQMVJSNVWGL-ZDUSSCGKSA-N 1 0 377.945 3.345 20 30 GGEDRO [NH2+]=C(NCC1(c2ccc(F)cc2)CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000262423259 1433938394 /nfs/dbraw/zinc/93/83/94/1433938394.db2.gz AWVGAIBBTIXMCR-IBGZPJMESA-N 1 0 383.467 3.302 20 30 GGEDRO C[C@@H]1CC[C@H]([NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)N[C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000262419275 1433938408 /nfs/dbraw/zinc/93/84/08/1433938408.db2.gz QTXWUMMDJRYWJX-MPRNQXESSA-N 1 0 397.629 3.360 20 30 GGEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC1CC(C)(C)CC(C)(C)C1 ZINC000262419205 1433938414 /nfs/dbraw/zinc/93/84/14/1433938414.db2.gz QRSTXANIZHJMSB-INIZCTEOSA-N 1 0 385.618 3.217 20 30 GGEDRO [NH2+]=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1cccc2c1CCCC2 ZINC000262423325 1433938461 /nfs/dbraw/zinc/93/84/61/1433938461.db2.gz BTNQZISJJCVLLI-LJQANCHMSA-N 1 0 384.549 3.427 20 30 GGEDRO COc1ccc(C2(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)CCOCC2)cc1 ZINC000262434424 1433938802 /nfs/dbraw/zinc/93/88/02/1433938802.db2.gz CATFIHJDDUZTLH-HXUWFJFHSA-N 1 0 395.503 3.172 20 30 GGEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCCC2(C1)CCCCCC2 ZINC000262433939 1433938884 /nfs/dbraw/zinc/93/88/84/1433938884.db2.gz SVKXTABRLJLJGN-SFHVURJKSA-N 1 0 383.602 3.213 20 30 GGEDRO C=C(C)CNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC(C)(C)CC(C)(C)C1 ZINC000262440564 1433939021 /nfs/dbraw/zinc/93/90/21/1433939021.db2.gz UNOZYVWKWGSVFS-MRXNPFEDSA-N 1 0 383.602 3.137 20 30 GGEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCc2cc(C(C)(C)C)ccc21 ZINC000262441798 1433939286 /nfs/dbraw/zinc/93/92/86/1433939286.db2.gz URKZANHBDWJSHS-MRXNPFEDSA-N 1 0 391.581 3.135 20 30 GGEDRO CC1(C[NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)NC2CCCC2)CCCCCC1 ZINC000262443473 1433939416 /nfs/dbraw/zinc/93/94/16/1433939416.db2.gz UWSMQDHYQWBRMY-KRWDZBQOSA-N 1 0 383.602 3.259 20 30 GGEDRO O=S1(=O)CC[C@@H](CNC(=[NH+]C2CCCCC2)N2CCC3(C2)CCCCC3)C1 ZINC000262456545 1433939931 /nfs/dbraw/zinc/93/99/31/1433939931.db2.gz WVSLLSVIUDNRCU-SFHVURJKSA-N 1 0 395.613 3.356 20 30 GGEDRO C[NH+]=C(NCc1ccnc(N2CCCC2)c1)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000262466010 1433940104 /nfs/dbraw/zinc/94/01/04/1433940104.db2.gz NSUOFIYVGGQISP-HXUWFJFHSA-N 1 0 393.535 3.255 20 30 GGEDRO CC[C@]1(C)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+][C@@H]2CCCC[C@@H]2C)C1 ZINC000262473516 1433940410 /nfs/dbraw/zinc/94/04/10/1433940410.db2.gz ZKTZXBOOBQKKDI-PNYFIKQUSA-N 1 0 383.602 3.067 20 30 GGEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262473633 1433940425 /nfs/dbraw/zinc/94/04/25/1433940425.db2.gz URIVUVRJHUOUNN-ISARSNTHSA-N 1 0 390.597 3.254 20 30 GGEDRO COc1ccc(-c2nnc(CNC(=[NH2+])Nc3cccc4c3CCCC4)[nH]2)cc1 ZINC000262472979 1433940428 /nfs/dbraw/zinc/94/04/28/1433940428.db2.gz PJHUZTAHICLBOP-UHFFFAOYSA-N 1 0 376.464 3.286 20 30 GGEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1ccccc1Cl ZINC000262476258 1433940474 /nfs/dbraw/zinc/94/04/74/1433940474.db2.gz ZVUKCPZPVNYHHC-GJZGRUSLSA-N 1 0 397.972 3.314 20 30 GGEDRO COc1ccc(Br)cc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262489311 1433941058 /nfs/dbraw/zinc/94/10/58/1433941058.db2.gz JALLJVSGLFEXTL-OAHLLOKOSA-N 1 0 390.281 3.386 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262491609 1433941378 /nfs/dbraw/zinc/94/13/78/1433941378.db2.gz VDEXVUCTNKMLBB-QGZVFWFLSA-N 1 0 398.580 3.194 20 30 GGEDRO CC(C)(C)c1cnc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000262516895 1433941865 /nfs/dbraw/zinc/94/18/65/1433941865.db2.gz GVSLSUPHQZAMMQ-UHFFFAOYSA-N 1 0 375.904 3.262 20 30 GGEDRO [NH2+]=C(NCc1cc(F)ccc1N1CCOCC1)Nc1cccc2c1CCCC2 ZINC000262512333 1433941951 /nfs/dbraw/zinc/94/19/51/1433941951.db2.gz DPVHDMHDLFWELJ-UHFFFAOYSA-N 1 0 382.483 3.468 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2cc(F)ccc2N2CCOCC2)cc1Cl ZINC000262518283 1433942198 /nfs/dbraw/zinc/94/21/98/1433942198.db2.gz HHFBKCIOJOTOTL-UHFFFAOYSA-N 1 0 392.862 3.251 20 30 GGEDRO [NH2+]=C(NCCc1nc(C(F)(F)F)cs1)Nc1ccc2c(c1)OCCCO2 ZINC000262521613 1433942292 /nfs/dbraw/zinc/94/22/92/1433942292.db2.gz IOVCHSHUQWRUBK-UHFFFAOYSA-N 1 0 386.399 3.293 20 30 GGEDRO Cc1nnc2n1C[C@@H](CNC(=[NH2+])Nc1cccc(Oc3ccccc3)c1)CC2 ZINC000262535965 1433942562 /nfs/dbraw/zinc/94/25/62/1433942562.db2.gz PPIMDIQDQVFUBO-MRXNPFEDSA-N 1 0 376.464 3.368 20 30 GGEDRO [NH2+]=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@H]1CCOc2ccccc21 ZINC000262552383 1433943220 /nfs/dbraw/zinc/94/32/20/1433943220.db2.gz UBJZTRXGGWUJJK-INIZCTEOSA-N 1 0 387.867 3.429 20 30 GGEDRO [NH2+]=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@@H]1CCOc2ccccc21 ZINC000262552384 1433943226 /nfs/dbraw/zinc/94/32/26/1433943226.db2.gz UBJZTRXGGWUJJK-MRXNPFEDSA-N 1 0 387.867 3.429 20 30 GGEDRO CC(C)NC(=O)Nc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000262553178 1433943291 /nfs/dbraw/zinc/94/32/91/1433943291.db2.gz UFJIXLSEZLLLBP-GOSISDBHSA-N 1 0 381.480 3.145 20 30 GGEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262557629 1433943492 /nfs/dbraw/zinc/94/34/92/1433943492.db2.gz VJZRJVKONICUAY-FQEVSTJZSA-N 1 0 375.476 3.417 20 30 GGEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262557645 1433943628 /nfs/dbraw/zinc/94/36/28/1433943628.db2.gz VJZRJVKONICUAY-HXUWFJFHSA-N 1 0 375.476 3.417 20 30 GGEDRO C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N(C)Cc1ccccc1C ZINC000262567041 1433943889 /nfs/dbraw/zinc/94/38/89/1433943889.db2.gz LWQNAVKPNWZEQN-UHFFFAOYSA-N 1 0 390.413 3.264 20 30 GGEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCC2)c1)N[C@H]1CCOc2ccccc21 ZINC000262568680 1433943930 /nfs/dbraw/zinc/94/39/30/1433943930.db2.gz YOALIXSTQUYEJN-IBGZPJMESA-N 1 0 378.476 3.353 20 30 GGEDRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262572845 1433944110 /nfs/dbraw/zinc/94/41/10/1433944110.db2.gz ZKRXIFHIAQOZTG-NRFANRHFSA-N 1 0 389.503 3.476 20 30 GGEDRO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)N1CCC(C)CC1 ZINC000262576734 1433944412 /nfs/dbraw/zinc/94/44/12/1433944412.db2.gz OOOYGRUBLKTFFI-UHFFFAOYSA-N 1 0 381.318 3.003 20 30 GGEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000262650280 1433947705 /nfs/dbraw/zinc/94/77/05/1433947705.db2.gz JGYJHQDQXKBENF-RFAUZJTJSA-N 1 0 380.316 3.227 20 30 GGEDRO C[C@@H]1C[C@H]([NH+]=C(NCCc2ccco2)N[C@@H]2CCOc3ccccc32)CCO1 ZINC000262645871 1433947877 /nfs/dbraw/zinc/94/78/77/1433947877.db2.gz IMPDOIGYXTUZFR-MBOZVWFJSA-N 1 0 383.492 3.449 20 30 GGEDRO C[C@H](NC(=[NH2+])NCC1(S(C)(=O)=O)CCCC1)c1ccc(Cl)cc1Cl ZINC000262671278 1433948862 /nfs/dbraw/zinc/94/88/62/1433948862.db2.gz RBCBMMHFCXTKKA-NSHDSACASA-N 1 0 392.352 3.316 20 30 GGEDRO C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262674126 1433949241 /nfs/dbraw/zinc/94/92/41/1433949241.db2.gz QMEBYICDYSVDST-GOEBONIOSA-N 1 0 388.487 3.192 20 30 GGEDRO CO[C@@H](C)c1nc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)cs1 ZINC000262692359 1433950648 /nfs/dbraw/zinc/95/06/48/1433950648.db2.gz CNBDRQSLPTVMKL-ZDUSSCGKSA-N 1 0 393.944 3.141 20 30 GGEDRO CC[NH+]=C(NCc1ccoc1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000262713291 1433951865 /nfs/dbraw/zinc/95/18/65/1433951865.db2.gz MKDRKVWJBAAPNJ-UHFFFAOYSA-N 1 0 394.269 3.069 20 30 GGEDRO [NH2+]=C(NC[C@@H]1CCCN(c2ccccc2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000262717622 1433952152 /nfs/dbraw/zinc/95/21/52/1433952152.db2.gz DXBWJJXUMIQDSG-KRWDZBQOSA-N 1 0 380.492 3.491 20 30 GGEDRO CC[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@H]1CCN(C2CC2)C1 ZINC000262739704 1433953160 /nfs/dbraw/zinc/95/31/60/1433953160.db2.gz DIYJVCKUMBJLAT-ZDUSSCGKSA-N 1 0 377.945 3.242 20 30 GGEDRO [NH2+]=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)Nc1ccc2c(c1)OCCCO2 ZINC000262750509 1433953716 /nfs/dbraw/zinc/95/37/16/1433953716.db2.gz BRVLYAKNOKQSSF-OAHLLOKOSA-N 1 0 379.819 3.101 20 30 GGEDRO CC[NH+]=C(NCC1CCN(Cc2nc(C)c(C)o2)CC1)N1CCC[C@@H](C)C1 ZINC000262754782 1433954049 /nfs/dbraw/zinc/95/40/49/1433954049.db2.gz DBJZWWFAXAGQFV-MRXNPFEDSA-N 1 0 375.561 3.201 20 30 GGEDRO C[NH+]=C(NCc1ccnn1C)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000262778325 1433955545 /nfs/dbraw/zinc/95/55/45/1433955545.db2.gz IPDSCMJEVDDEPV-UHFFFAOYSA-N 1 0 388.928 3.371 20 30 GGEDRO C[NH+]=C(NCC1CCSCC1)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000262795298 1433956693 /nfs/dbraw/zinc/95/66/93/1433956693.db2.gz PDKBZLQSOLACGQ-INIZCTEOSA-N 1 0 396.988 3.236 20 30 GGEDRO C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NCc1ccc2c(c1)OCCCO2 ZINC000262818181 1433958385 /nfs/dbraw/zinc/95/83/85/1433958385.db2.gz PGXPEUUWWVOKBX-UHFFFAOYSA-N 1 0 396.466 3.376 20 30 GGEDRO CC[NH+]=C(NCc1ccc(CN2CCCC2=O)cc1)N1CCc2ccccc21 ZINC000262945532 1433969165 /nfs/dbraw/zinc/96/91/65/1433969165.db2.gz ARDVXZKXBJDZPE-UHFFFAOYSA-N 1 0 376.504 3.337 20 30 GGEDRO [NH2+]=C(NCCOc1ccc(Cl)c(F)c1)Nc1ccc2c(c1)OCCCO2 ZINC000263203524 1433994360 /nfs/dbraw/zinc/99/43/60/1433994360.db2.gz XSDMKFWZKVWISA-UHFFFAOYSA-N 1 0 379.819 3.446 20 30 GGEDRO C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N[C@H](C)c1ccccc1 ZINC000263234939 1433997430 /nfs/dbraw/zinc/99/74/30/1433997430.db2.gz JERKKWWQRMIEPK-GFCCVEGCSA-N 1 0 376.386 3.174 20 30 GGEDRO CC[NH+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC(C)(C)C ZINC000263250411 1433998457 /nfs/dbraw/zinc/99/84/57/1433998457.db2.gz OLQUKKZBAXNQDV-UHFFFAOYSA-N 1 0 376.814 3.255 20 30 GGEDRO CCOc1cc2c(cc1CNC(=[NH2+])Nc1ccc3c(c1)OCCCO3)O[C@@H](C)C2 ZINC000263271449 1433999419 /nfs/dbraw/zinc/99/94/19/1433999419.db2.gz WZLRACGRPUJFLA-AWEZNQCLSA-N 1 0 397.475 3.497 20 30 GGEDRO CCOc1cc2c(cc1CNC(=[NH2+])Nc1ccc3c(c1)OCCCO3)O[C@H](C)C2 ZINC000263271460 1433999803 /nfs/dbraw/zinc/99/98/03/1433999803.db2.gz WZLRACGRPUJFLA-CQSZACIVSA-N 1 0 397.475 3.497 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C(C)C ZINC000263679641 1434019636 /nfs/dbraw/zinc/01/96/36/1434019636.db2.gz KPJHXRGQFMQPHS-HXUWFJFHSA-N 1 0 384.524 3.023 20 30 GGEDRO C[NH+](C)Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000263680326 1434019862 /nfs/dbraw/zinc/01/98/62/1434019862.db2.gz GXTQHSFVDBOZAK-UHFFFAOYSA-N 1 0 390.487 3.111 20 30 GGEDRO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000263683331 1434020336 /nfs/dbraw/zinc/02/03/36/1434020336.db2.gz JOSZXHCIULBEIY-LJQANCHMSA-N 1 0 398.551 3.011 20 30 GGEDRO CC(C)[NH+]1CCC(N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000263706589 1434023650 /nfs/dbraw/zinc/02/36/50/1434023650.db2.gz OMCDFTOFCSKZPG-UHFFFAOYSA-N 1 0 376.932 3.391 20 30 GGEDRO C[C@H](NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000263797784 1434035390 /nfs/dbraw/zinc/03/53/90/1434035390.db2.gz ZUDPUZJMYAHLOC-KURKYZTESA-N 1 0 384.524 3.150 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1Cl ZINC000263847176 1434041221 /nfs/dbraw/zinc/04/12/21/1434041221.db2.gz KZZBDOWLAYLPHC-INIZCTEOSA-N 1 0 389.805 3.178 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1 ZINC000263946856 1434051971 /nfs/dbraw/zinc/05/19/71/1434051971.db2.gz JVDAIFJBWOBFAG-UHFFFAOYSA-N 1 0 384.524 3.449 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccs1 ZINC000263949062 1434052135 /nfs/dbraw/zinc/05/21/35/1434052135.db2.gz DDSFEVKJELDWNU-GOSISDBHSA-N 1 0 398.532 3.194 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccsc1 ZINC000263963155 1434054176 /nfs/dbraw/zinc/05/41/76/1434054176.db2.gz JCJZWCPFZZENBM-IBGZPJMESA-N 1 0 398.532 3.194 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccsc1 ZINC000263963158 1434054231 /nfs/dbraw/zinc/05/42/31/1434054231.db2.gz JCJZWCPFZZENBM-LJQANCHMSA-N 1 0 398.532 3.194 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000264034401 1434064402 /nfs/dbraw/zinc/06/44/02/1434064402.db2.gz ADHCSMRVLVENLZ-INIZCTEOSA-N 1 0 378.476 3.470 20 30 GGEDRO N#CCOc1cccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000264048710 1434066293 /nfs/dbraw/zinc/06/62/93/1434066293.db2.gz DNYSXQLQJHHLTG-IBGZPJMESA-N 1 0 378.476 3.275 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCc2cccc(NC(=O)C3CCC3)c2)cc1OC ZINC000264090276 1434070917 /nfs/dbraw/zinc/07/09/17/1434070917.db2.gz KTDVDQBQYKATHS-UHFFFAOYSA-N 1 0 396.491 3.047 20 30 GGEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)N2CCCC2)cc1 ZINC000264088990 1434070946 /nfs/dbraw/zinc/07/09/46/1434070946.db2.gz KOBSUSLLJZLEDI-LJQANCHMSA-N 1 0 398.507 3.276 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000264095202 1434071411 /nfs/dbraw/zinc/07/14/11/1434071411.db2.gz FGHDSHFILWYGDN-MRXNPFEDSA-N 1 0 394.519 3.454 20 30 GGEDRO C=CCCO[C@H](C)C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000264112841 1434072675 /nfs/dbraw/zinc/07/26/75/1434072675.db2.gz MBBTYXUXAAJGQH-GOSISDBHSA-N 1 0 389.540 3.111 20 30 GGEDRO CC[C@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1 ZINC000264112613 1434072791 /nfs/dbraw/zinc/07/27/91/1434072791.db2.gz RLMNHMGABZGLHD-HNNXBMFYSA-N 1 0 398.507 3.293 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccccc3C)CCOCC2)cc1OC ZINC000264116529 1434073166 /nfs/dbraw/zinc/07/31/66/1434073166.db2.gz SVAUYJKQIFUYOC-UHFFFAOYSA-N 1 0 383.492 3.487 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)COc3ccccc3C#N)cc2F)CC1 ZINC000264122549 1434073726 /nfs/dbraw/zinc/07/37/26/1434073726.db2.gz ZMYFYEZBKSDOAX-UHFFFAOYSA-N 1 0 396.466 3.245 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000264135287 1434074690 /nfs/dbraw/zinc/07/46/90/1434074690.db2.gz ZDRYXGZQFLWEOW-IBGZPJMESA-N 1 0 378.476 3.135 20 30 GGEDRO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C#N)cc1 ZINC000264314334 1434096165 /nfs/dbraw/zinc/09/61/65/1434096165.db2.gz MYDLTRREJICKCH-QGZVFWFLSA-N 1 0 392.503 3.075 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000264348682 1434100108 /nfs/dbraw/zinc/10/01/08/1434100108.db2.gz CJICSQDVKDYCJH-UHFFFAOYSA-N 1 0 384.524 3.087 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000264360331 1434102140 /nfs/dbraw/zinc/10/21/40/1434102140.db2.gz HJXUXXQHXPFLHM-QZTJIDSGSA-N 1 0 386.540 3.462 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 ZINC000264381462 1434104922 /nfs/dbraw/zinc/10/49/22/1434104922.db2.gz LNRVRROTGZOEGF-UHFFFAOYSA-N 1 0 390.915 3.394 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000264412098 1434109181 /nfs/dbraw/zinc/10/91/81/1434109181.db2.gz UDYYOABPJQGHGG-UHFFFAOYSA-N 1 0 392.931 3.317 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000264425232 1434110963 /nfs/dbraw/zinc/11/09/63/1434110963.db2.gz YEMJKUVDKAGTOJ-OAHLLOKOSA-N 1 0 391.512 3.113 20 30 GGEDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000264426789 1434111138 /nfs/dbraw/zinc/11/11/38/1434111138.db2.gz ABLBRZVJMOHBFR-KRWDZBQOSA-N 1 0 381.501 3.160 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000264437939 1434112498 /nfs/dbraw/zinc/11/24/98/1434112498.db2.gz YUQRUSVJZZDDIU-HDICACEKSA-N 1 0 386.540 3.462 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000264437941 1434112651 /nfs/dbraw/zinc/11/26/51/1434112651.db2.gz YUQRUSVJZZDDIU-QZTJIDSGSA-N 1 0 386.540 3.462 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000264456701 1434115063 /nfs/dbraw/zinc/11/50/63/1434115063.db2.gz DYWJYKAAFXISDA-KRWDZBQOSA-N 1 0 393.940 3.300 20 30 GGEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000264505001 1434121441 /nfs/dbraw/zinc/12/14/41/1434121441.db2.gz KTOUYFAWWDAMKB-IBGZPJMESA-N 1 0 379.460 3.431 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CC1 ZINC000264507818 1434121915 /nfs/dbraw/zinc/12/19/15/1434121915.db2.gz SASCFHLVKSQDFO-UHFFFAOYSA-N 1 0 396.388 3.410 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cc1ccc(OCC#N)cc1 ZINC000264625157 1434136264 /nfs/dbraw/zinc/13/62/64/1434136264.db2.gz IGGHEFHEULWYGP-RBBKRZOGSA-N 1 0 375.472 3.274 20 30 GGEDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000264755291 1434152089 /nfs/dbraw/zinc/15/20/89/1434152089.db2.gz MDOAXPFEEAXNNE-UHFFFAOYSA-N 1 0 392.503 3.060 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Cc2ccc(OCC#N)cc2)cc1 ZINC000264811665 1434157010 /nfs/dbraw/zinc/15/70/10/1434157010.db2.gz WMXIOTMXTHUZJR-UHFFFAOYSA-N 1 0 395.503 3.168 20 30 GGEDRO C[C@@H](Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)C(=O)N(C)CCC#N ZINC000264864758 1434160594 /nfs/dbraw/zinc/16/05/94/1434160594.db2.gz MUUJLFOYCKSZIW-GOSISDBHSA-N 1 0 399.539 3.064 20 30 GGEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)ccc1OCc1ccncc1 ZINC000264908009 1434163844 /nfs/dbraw/zinc/16/38/44/1434163844.db2.gz YBLFDMZFKAQQSA-IAGOWNOFSA-N 1 0 396.491 3.080 20 30 GGEDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000264960693 1434168075 /nfs/dbraw/zinc/16/80/75/1434168075.db2.gz OAMYIBGFEYTKHL-UHFFFAOYSA-N 1 0 383.496 3.468 20 30 GGEDRO C=CCc1cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc(OC)c1O ZINC000264970696 1434169775 /nfs/dbraw/zinc/16/97/75/1434169775.db2.gz QXHWVBNRVUTWSQ-UHFFFAOYSA-N 1 0 384.476 3.372 20 30 GGEDRO C[C@@H]1C[N@@H+](CC2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000265162191 1434192068 /nfs/dbraw/zinc/19/20/68/1434192068.db2.gz FBPPNEFTGNNBSL-OKILXGFUSA-N 1 0 382.430 3.298 20 30 GGEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc(OC)c1OC ZINC000265231247 1434204072 /nfs/dbraw/zinc/20/40/72/1434204072.db2.gz VAOBCBPDVAGIHE-KDOFPFPSSA-N 1 0 395.459 3.040 20 30 GGEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc(OC)c1OC ZINC000265231244 1434204115 /nfs/dbraw/zinc/20/41/15/1434204115.db2.gz VAOBCBPDVAGIHE-KBXCAEBGSA-N 1 0 395.459 3.040 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000265250192 1434207442 /nfs/dbraw/zinc/20/74/42/1434207442.db2.gz QQCFKQJSXNPOFL-SIKLNZKXSA-N 1 0 398.551 3.393 20 30 GGEDRO C[NH+](C)CC[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(C)(C)C ZINC000265386019 1434227568 /nfs/dbraw/zinc/22/75/68/1434227568.db2.gz SFQCDXQANOYCEA-IBGZPJMESA-N 1 0 386.540 3.196 20 30 GGEDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000265643800 1434252794 /nfs/dbraw/zinc/25/27/94/1434252794.db2.gz JPPYWOWHYJIEBM-UHFFFAOYSA-N 1 0 389.443 3.070 20 30 GGEDRO N#Cc1ccnc(N2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000265818638 1434268182 /nfs/dbraw/zinc/26/81/82/1434268182.db2.gz HOTOEHVMYNQZLP-UHFFFAOYSA-N 1 0 394.866 3.021 20 30 GGEDRO CC(C)n1c(Sc2c(C#N)nnc3ccccc32)nnc1[C@@H]1CCC[NH2+]C1 ZINC000265860233 1434273980 /nfs/dbraw/zinc/27/39/80/1434273980.db2.gz RTOHBPRVOZIKTA-CYBMUJFWSA-N 1 0 379.493 3.292 20 30 GGEDRO COc1ccc([C@@H](CNc2c(C#N)nnc3ccccc32)[NH+](C)C)cc1OC ZINC000265866939 1434274914 /nfs/dbraw/zinc/27/49/14/1434274914.db2.gz HXRLXEYBRGPSLX-GOSISDBHSA-N 1 0 377.448 3.233 20 30 GGEDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000266342240 1434322341 /nfs/dbraw/zinc/32/23/41/1434322341.db2.gz FMQWQOGBNOFFAB-GFCCVEGCSA-N 1 0 390.538 3.164 20 30 GGEDRO N#Cc1ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1C(F)(F)F ZINC000266429035 1434335214 /nfs/dbraw/zinc/33/52/14/1434335214.db2.gz XFQINCNRUGCHRJ-UHFFFAOYSA-N 1 0 396.413 3.344 20 30 GGEDRO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000266433753 1434336070 /nfs/dbraw/zinc/33/60/70/1434336070.db2.gz DQWFXLIIDYISOU-IRXDYDNUSA-N 1 0 392.503 3.257 20 30 GGEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)s2)cc1 ZINC000266437753 1434336825 /nfs/dbraw/zinc/33/68/25/1434336825.db2.gz ZGWPVPSJXZSVNE-QGZVFWFLSA-N 1 0 379.489 3.084 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)N(CCC#N)c1ccccc1 ZINC000266462414 1434339949 /nfs/dbraw/zinc/33/99/49/1434339949.db2.gz MLADPBOWYIFQTD-IAGOWNOFSA-N 1 0 390.487 3.191 20 30 GGEDRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000266513120 1434345253 /nfs/dbraw/zinc/34/52/53/1434345253.db2.gz YCJJMTQJFICOGP-CVEARBPZSA-N 1 0 381.476 3.273 20 30 GGEDRO N#Cc1ccc(-c2nnc(CN3CC[NH+](CCc4cccs4)CC3)o2)cc1 ZINC000266530000 1434346763 /nfs/dbraw/zinc/34/67/63/1434346763.db2.gz LNJYAMDTFFDEEJ-UHFFFAOYSA-N 1 0 379.489 3.030 20 30 GGEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000266576223 1434350995 /nfs/dbraw/zinc/35/09/95/1434350995.db2.gz YYJNMGCIBFGHDR-QGZVFWFLSA-N 1 0 383.521 3.411 20 30 GGEDRO COc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cc1C#N ZINC000266615175 1434354838 /nfs/dbraw/zinc/35/48/38/1434354838.db2.gz RXSAGGAQYVAMJQ-CXUHLZMHSA-N 1 0 389.546 3.356 20 30 GGEDRO COc1cc(NC(=O)CC[N@H+](CCC#N)CCC(C)C)cc(OC)c1OC ZINC000266715978 1434366974 /nfs/dbraw/zinc/36/69/74/1434366974.db2.gz FZJMGXNGKYWNBN-UHFFFAOYSA-N 1 0 377.485 3.303 20 30 GGEDRO CN(C)C(=O)c1ccc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)cc1 ZINC000266968517 1434394072 /nfs/dbraw/zinc/39/40/72/1434394072.db2.gz CMNOIKTVNKHYEY-UHFFFAOYSA-N 1 0 378.398 3.012 20 30 GGEDRO [NH2+]=C(NCc1ccc(N2CCCC2)nc1)NCc1cccc(C(F)(F)F)c1 ZINC000266990588 1434396691 /nfs/dbraw/zinc/39/66/91/1434396691.db2.gz UFZJRMGQYZUPIK-UHFFFAOYSA-N 1 0 377.414 3.305 20 30 GGEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2=O)c1 ZINC000267114425 1434408348 /nfs/dbraw/zinc/40/83/48/1434408348.db2.gz RWENDACGJICDHT-BTYIYWSLSA-N 1 0 395.459 3.062 20 30 GGEDRO CC(C)[NH+](CCNC(=O)C1CCN(c2ccc(Cl)c(C#N)n2)CC1)C(C)C ZINC000267212344 1434414555 /nfs/dbraw/zinc/41/45/55/1434414555.db2.gz LZOAAHNUUHPANF-UHFFFAOYSA-N 1 0 391.947 3.058 20 30 GGEDRO C[NH+](C)C1CCN(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000267265237 1434418016 /nfs/dbraw/zinc/41/80/16/1434418016.db2.gz PBNUQEJAMFVDKX-UHFFFAOYSA-N 1 0 392.503 3.106 20 30 GGEDRO C[C@H]1CCCN(Cc2csc(NC(=O)N(CCC#N)CCC[NH+](C)C)n2)C1 ZINC000267335759 1434423783 /nfs/dbraw/zinc/42/37/83/1434423783.db2.gz BRKPUCIZDHEJJH-INIZCTEOSA-N 1 0 392.573 3.074 20 30 GGEDRO Cc1sc(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)c(C#N)c1C ZINC000267411442 1434430155 /nfs/dbraw/zinc/43/01/55/1434430155.db2.gz UDLWNWAXSNMHQL-UHFFFAOYSA-N 1 0 388.562 3.097 20 30 GGEDRO C[C@H]1C[NH+](CCC2CCN(c3c(C#N)nnc4ccccc43)CC2)C[C@H](C)O1 ZINC000267421619 1434431074 /nfs/dbraw/zinc/43/10/74/1434431074.db2.gz UPXKKQDBKBZYEL-IRXDYDNUSA-N 1 0 379.508 3.217 20 30 GGEDRO [NH2+]=C(NCC[S@@](=O)Cc1ccccc1)NCc1cccc(C(F)(F)F)c1 ZINC000267470436 1434437335 /nfs/dbraw/zinc/43/73/35/1434437335.db2.gz XOGUTRCUPNNCJI-AREMUKBSSA-N 1 0 383.439 3.059 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1OC ZINC000267476898 1434438282 /nfs/dbraw/zinc/43/82/82/1434438282.db2.gz WVBKOISCQUUXPI-IBGZPJMESA-N 1 0 393.491 3.480 20 30 GGEDRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000267546847 1434445129 /nfs/dbraw/zinc/44/51/29/1434445129.db2.gz BUIIEYROPCAYKZ-BBRMVZONSA-N 1 0 385.489 3.402 20 30 GGEDRO Cn1c2ccccc2nc1[C@@H]1CCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000267548890 1434445149 /nfs/dbraw/zinc/44/51/49/1434445149.db2.gz OXHGLJPAUAEGGR-UTKZUKDTSA-N 1 0 376.460 3.022 20 30 GGEDRO Cn1c2ccccc2nc1[C@@H]1CCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000267548893 1434445190 /nfs/dbraw/zinc/44/51/90/1434445190.db2.gz OXHGLJPAUAEGGR-UWJYYQICSA-N 1 0 376.460 3.022 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cc(F)c(C)cc1F)[n+]1cccc(CO)c1 ZINC000267906369 1434475860 /nfs/dbraw/zinc/47/58/60/1434475860.db2.gz XZLZTLJWGUWHIA-CYBMUJFWSA-O 1 0 393.479 3.380 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1cc(F)c(C)cc1F)[n+]1cccc(CO)c1 ZINC000267906370 1434475871 /nfs/dbraw/zinc/47/58/71/1434475871.db2.gz XZLZTLJWGUWHIA-ZDUSSCGKSA-O 1 0 393.479 3.380 20 30 GGEDRO CCOCCOCc1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1C ZINC000267916055 1434476654 /nfs/dbraw/zinc/47/66/54/1434476654.db2.gz GOKSKFWMBIVVAN-UHFFFAOYSA-N 1 0 390.528 3.247 20 30 GGEDRO CC(=O)N(Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1)C(C)C ZINC000267937621 1434478942 /nfs/dbraw/zinc/47/89/42/1434478942.db2.gz OXHMKDQOZPEKGP-UHFFFAOYSA-N 1 0 387.528 3.143 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC)[C@H](O)c2c(F)cccc2F)CC1 ZINC000268066589 1434492531 /nfs/dbraw/zinc/49/25/31/1434492531.db2.gz VHDKIQHRAASFFE-MJGOQNOKSA-N 1 0 381.467 3.117 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)CC1 ZINC000268258875 1434505765 /nfs/dbraw/zinc/50/57/65/1434505765.db2.gz COPDGOOCJSXWAT-UHFFFAOYSA-N 1 0 397.475 3.164 20 30 GGEDRO C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@H]1[NH+](C)C ZINC000268273377 1434507217 /nfs/dbraw/zinc/50/72/17/1434507217.db2.gz WSZHBEKOYIPOKJ-MGPUTAFESA-N 1 0 391.475 3.224 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCCNC(=O)OCc2ccccc2)CC1 ZINC000268419642 1434521255 /nfs/dbraw/zinc/52/12/55/1434521255.db2.gz WSXWJGKJUBMCDG-UHFFFAOYSA-N 1 0 387.524 3.240 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNc3nccc(C#N)c3[N+](=O)[O-])CC2)cc1 ZINC000268439480 1434523036 /nfs/dbraw/zinc/52/30/36/1434523036.db2.gz CVZUSEBWTKDLHY-UHFFFAOYSA-N 1 0 381.436 3.194 20 30 GGEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)s2)cc1 ZINC000268465355 1434525289 /nfs/dbraw/zinc/52/52/89/1434525289.db2.gz IBUYUNVKVOTUBY-UHFFFAOYSA-N 1 0 393.516 3.474 20 30 GGEDRO C=CCOc1ccc(C[N@@H+](C[C@@H](O)COC2CCOCC2)C(C)(C)C)cc1 ZINC000268474434 1434525820 /nfs/dbraw/zinc/52/58/20/1434525820.db2.gz IYVPIEXBZIPEFY-LJQANCHMSA-N 1 0 377.525 3.408 20 30 GGEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CC(C)(C)O ZINC000268610492 1434539846 /nfs/dbraw/zinc/53/98/46/1434539846.db2.gz YHBABXMVOGOPFM-UHFFFAOYSA-N 1 0 386.496 3.039 20 30 GGEDRO N#Cc1cccc(OCCC[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1 ZINC000268619754 1434540972 /nfs/dbraw/zinc/54/09/72/1434540972.db2.gz AZVISSOZCOKNAK-UHFFFAOYSA-N 1 0 379.460 3.383 20 30 GGEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269080441 1434589075 /nfs/dbraw/zinc/58/90/75/1434589075.db2.gz HRBLYJXWOSAFOH-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C(F)(F)F ZINC000269118892 1434594185 /nfs/dbraw/zinc/59/41/85/1434594185.db2.gz IZRPPPLHIFJYET-SJORKVTESA-N 1 0 396.413 3.076 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269123093 1434595001 /nfs/dbraw/zinc/59/50/01/1434595001.db2.gz JSWRGDROQXZVFR-IYBDPMFKSA-N 1 0 389.931 3.234 20 30 GGEDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269144893 1434597161 /nfs/dbraw/zinc/59/71/61/1434597161.db2.gz ZUFVKSNYQKXOGG-UHFFFAOYSA-N 1 0 390.915 3.024 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269358748 1434630806 /nfs/dbraw/zinc/63/08/06/1434630806.db2.gz TZAORJKHWXQCCY-IAGOWNOFSA-N 1 0 397.972 3.477 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000269595075 1434662197 /nfs/dbraw/zinc/66/21/97/1434662197.db2.gz ZCMFYXRJCYZNHP-HXUWFJFHSA-N 1 0 398.551 3.198 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000269595073 1434662261 /nfs/dbraw/zinc/66/22/61/1434662261.db2.gz ZCMFYXRJCYZNHP-FQEVSTJZSA-N 1 0 398.551 3.198 20 30 GGEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000269604365 1434662977 /nfs/dbraw/zinc/66/29/77/1434662977.db2.gz LNRYKMNOFNDBII-HNNXBMFYSA-N 1 0 379.464 3.309 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1C#N ZINC000269838870 1434680168 /nfs/dbraw/zinc/68/01/68/1434680168.db2.gz NWGDQBBZXALUCI-UHFFFAOYSA-N 1 0 399.451 3.315 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1C#N ZINC000269856554 1434681937 /nfs/dbraw/zinc/68/19/37/1434681937.db2.gz SPNKQJRZQIEBPR-OAHLLOKOSA-N 1 0 387.484 3.226 20 30 GGEDRO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000270085876 1434701384 /nfs/dbraw/zinc/70/13/84/1434701384.db2.gz KBQGBUCGQCTLPD-CYBMUJFWSA-N 1 0 385.283 3.118 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)CC1 ZINC000270218143 1434713985 /nfs/dbraw/zinc/71/39/85/1434713985.db2.gz MGFJCCWIMJDMSN-IBGZPJMESA-N 1 0 381.524 3.169 20 30 GGEDRO C#CC[C@H](NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000270411472 1434731226 /nfs/dbraw/zinc/73/12/26/1434731226.db2.gz LMNFFGILEJMMTH-IPJJNNNSSA-N 1 0 383.536 3.282 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)c1cccc(OC)c1 ZINC000270476980 1434736945 /nfs/dbraw/zinc/73/69/45/1434736945.db2.gz OPYYIJIKUHHFFI-QFIPXVFZSA-N 1 0 395.503 3.339 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000270561980 1434744945 /nfs/dbraw/zinc/74/49/45/1434744945.db2.gz KOXALALLPIXYQJ-QFIPXVFZSA-N 1 0 377.488 3.266 20 30 GGEDRO CC(=O)NCC1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000271131067 1434803682 /nfs/dbraw/zinc/80/36/82/1434803682.db2.gz KBLPAAGUFAOXOP-UHFFFAOYSA-N 1 0 377.488 3.485 20 30 GGEDRO CC1(C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)OCCO1 ZINC000271151747 1434805019 /nfs/dbraw/zinc/80/50/19/1434805019.db2.gz BGCSNANZHQQZAA-UHFFFAOYSA-N 1 0 380.492 3.439 20 30 GGEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)NCCCOC)CC2)ccc1OC ZINC000271177277 1434806325 /nfs/dbraw/zinc/80/63/25/1434806325.db2.gz WDOBZIBDUVBWML-UHFFFAOYSA-N 1 0 390.524 3.015 20 30 GGEDRO C=CCOc1cccc(C[N@H+]2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)c1 ZINC000271225687 1434809273 /nfs/dbraw/zinc/80/92/73/1434809273.db2.gz ALDBEKZJZKMXMX-QGZVFWFLSA-N 1 0 386.496 3.050 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCc3cnccn3)sc2C1 ZINC000271354249 1434818603 /nfs/dbraw/zinc/81/86/03/1434818603.db2.gz PATYNEXRLZUBTR-CQSZACIVSA-N 1 0 383.521 3.038 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](OC)c2ccc(OC)cc2)CC1 ZINC000271434333 1434824494 /nfs/dbraw/zinc/82/44/94/1434824494.db2.gz BRRGQLNIFOAYOI-OXQOHEQNSA-N 1 0 375.513 3.111 20 30 GGEDRO C#CC[C@@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000271435097 1434824548 /nfs/dbraw/zinc/82/45/48/1434824548.db2.gz QJYORHYKHHXBFO-JOCHJYFZSA-N 1 0 389.499 3.144 20 30 GGEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000271443293 1434825199 /nfs/dbraw/zinc/82/51/99/1434825199.db2.gz GUQYYYBXFFSGJN-KRWDZBQOSA-N 1 0 384.501 3.089 20 30 GGEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000271443297 1434825225 /nfs/dbraw/zinc/82/52/25/1434825225.db2.gz GUQYYYBXFFSGJN-QGZVFWFLSA-N 1 0 384.501 3.089 20 30 GGEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000271547519 1434833801 /nfs/dbraw/zinc/83/38/01/1434833801.db2.gz RQHYOQAMAVPQJO-INIZCTEOSA-N 1 0 378.494 3.001 20 30 GGEDRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000271644222 1434841239 /nfs/dbraw/zinc/84/12/39/1434841239.db2.gz HUADHZZJTASYQM-INIZCTEOSA-N 1 0 378.476 3.330 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000271642150 1434841381 /nfs/dbraw/zinc/84/13/81/1434841381.db2.gz CPXSVPSBQYWYTA-ZWKOTPCHSA-N 1 0 380.492 3.319 20 30 GGEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000271661896 1434842666 /nfs/dbraw/zinc/84/26/66/1434842666.db2.gz KKQYJQRTMPCIRE-AWEZNQCLSA-N 1 0 391.393 3.466 20 30 GGEDRO CCOCCOCc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000271672235 1434843216 /nfs/dbraw/zinc/84/32/16/1434843216.db2.gz NRLNXOICRJPAMV-GOSISDBHSA-N 1 0 395.503 3.078 20 30 GGEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1 ZINC000271678551 1434843617 /nfs/dbraw/zinc/84/36/17/1434843617.db2.gz HVWKOJRDVQXYKP-OAQYLSRUSA-N 1 0 377.488 3.461 20 30 GGEDRO CCCCOc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1OC ZINC000271703260 1434844999 /nfs/dbraw/zinc/84/49/99/1434844999.db2.gz UKVOHDXCINXQGS-KRWDZBQOSA-N 1 0 386.496 3.181 20 30 GGEDRO C#CC[C@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000271712253 1434845800 /nfs/dbraw/zinc/84/58/00/1434845800.db2.gz OQQUGFXQXYJPNB-QFIPXVFZSA-N 1 0 389.499 3.218 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000271738502 1434847209 /nfs/dbraw/zinc/84/72/09/1434847209.db2.gz UUAMZPCWBAFPQI-OAQYLSRUSA-N 1 0 376.460 3.052 20 30 GGEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccnn3Cc3cccs3)CC2)c1 ZINC000271744967 1434847580 /nfs/dbraw/zinc/84/75/80/1434847580.db2.gz DFALLTNZAFBQGR-UHFFFAOYSA-N 1 0 377.473 3.082 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271783615 1434850252 /nfs/dbraw/zinc/85/02/52/1434850252.db2.gz IJHPTIUTEOICNA-OAHLLOKOSA-N 1 0 381.432 3.253 20 30 GGEDRO COc1cc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c(OC)cc1Cl ZINC000271791319 1434850785 /nfs/dbraw/zinc/85/07/85/1434850785.db2.gz NNMFOIZGIDKWKV-UHFFFAOYSA-N 1 0 385.851 3.446 20 30 GGEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c(C#N)c1C ZINC000271791954 1434850955 /nfs/dbraw/zinc/85/09/55/1434850955.db2.gz IFKWXRWHWAHXFL-GFCCVEGCSA-N 1 0 382.489 3.045 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](CCCO)c2ccccc2)c(OC)c1 ZINC000271832982 1434853426 /nfs/dbraw/zinc/85/34/26/1434853426.db2.gz UQQFRCHKJONVIJ-NHCUHLMSSA-N 1 0 385.504 3.267 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](CCCO)c2ccccc2)c(OC)c1 ZINC000271832984 1434853607 /nfs/dbraw/zinc/85/36/07/1434853607.db2.gz UQQFRCHKJONVIJ-RTWAWAEBSA-N 1 0 385.504 3.267 20 30 GGEDRO C[C@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000271834892 1434853653 /nfs/dbraw/zinc/85/36/53/1434853653.db2.gz FSTFANUUFVWYBV-UWJYYQICSA-N 1 0 393.487 3.083 20 30 GGEDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000271837901 1434854025 /nfs/dbraw/zinc/85/40/25/1434854025.db2.gz GFLCAPBSRWUXCT-LPLGYCIKSA-N 1 0 385.414 3.490 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](CO)Cc3ccc(F)cc3)CC2)cc1 ZINC000271870472 1434855926 /nfs/dbraw/zinc/85/59/26/1434855926.db2.gz MOQJMYPBZPLACP-NRFANRHFSA-N 1 0 381.495 3.103 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CCNC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000271883431 1434856873 /nfs/dbraw/zinc/85/68/73/1434856873.db2.gz QAFQSDQGSILDNB-UHFFFAOYSA-N 1 0 396.922 3.196 20 30 GGEDRO C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(OCC#N)cc1 ZINC000271912231 1434858728 /nfs/dbraw/zinc/85/87/28/1434858728.db2.gz YCABXLVXTFOVCL-QGZVFWFLSA-N 1 0 393.487 3.140 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917370 1434859198 /nfs/dbraw/zinc/85/91/98/1434859198.db2.gz ZGQWVRSROSMQKB-HARLFGEKSA-N 1 0 379.504 3.123 20 30 GGEDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271931877 1434860106 /nfs/dbraw/zinc/86/01/06/1434860106.db2.gz IODUBHAURRWSNU-MRXNPFEDSA-N 1 0 380.467 3.217 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc(-c2nnc(COC)o2)c1)C(C)C ZINC000271983512 1434863540 /nfs/dbraw/zinc/86/35/40/1434863540.db2.gz ZSURHXGHNWIWIO-IBGZPJMESA-N 1 0 398.507 3.311 20 30 GGEDRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1CCC#N ZINC000272008914 1434865444 /nfs/dbraw/zinc/86/54/44/1434865444.db2.gz AJZCINBWSMCNFZ-INIZCTEOSA-N 1 0 386.525 3.200 20 30 GGEDRO Cc1cc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nn1CCC#N ZINC000272023266 1434866694 /nfs/dbraw/zinc/86/66/94/1434866694.db2.gz COIPGNXKDNKMBK-UHFFFAOYSA-N 1 0 394.523 3.481 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cc(C)n(CCC#N)n2)cc1 ZINC000272024537 1434866871 /nfs/dbraw/zinc/86/68/71/1434866871.db2.gz CQPUBVVXIGMEPQ-UHFFFAOYSA-N 1 0 398.511 3.148 20 30 GGEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1CCC#N ZINC000272036836 1434867940 /nfs/dbraw/zinc/86/79/40/1434867940.db2.gz FGGMDSHQWFWKSO-VQIMIIECSA-N 1 0 380.496 3.280 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1cccc(OC)c1 ZINC000272055903 1434869176 /nfs/dbraw/zinc/86/91/76/1434869176.db2.gz HZSASZMVLVJELH-IBGZPJMESA-N 1 0 398.511 3.318 20 30 GGEDRO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1CCC#N ZINC000272121685 1434873474 /nfs/dbraw/zinc/87/34/74/1434873474.db2.gz SIOFOYWMBGKXQA-SFHVURJKSA-N 1 0 380.496 3.234 20 30 GGEDRO COc1cccc([C@H](CNC(=O)Nc2cc(C)n(CCC#N)n2)[NH+]2CCCC2)c1 ZINC000272126493 1434873877 /nfs/dbraw/zinc/87/38/77/1434873877.db2.gz UBNHMLBESZNRPX-IBGZPJMESA-N 1 0 396.495 3.072 20 30 GGEDRO CC(C)C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272139235 1434874338 /nfs/dbraw/zinc/87/43/38/1434874338.db2.gz UJCRCRDGSPIFMK-SFTDATJTSA-N 1 0 386.540 3.225 20 30 GGEDRO Cc1cc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)nn1CCC#N ZINC000272163963 1434875719 /nfs/dbraw/zinc/87/57/19/1434875719.db2.gz ZFWGZOYNHBCEKS-IAGOWNOFSA-N 1 0 394.523 3.383 20 30 GGEDRO Cc1cc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1CCC#N ZINC000272163967 1434875766 /nfs/dbraw/zinc/87/57/66/1434875766.db2.gz ZFWGZOYNHBCEKS-LFUKPOHLSA-N 1 0 394.523 3.383 20 30 GGEDRO Cn1cc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272174059 1434876064 /nfs/dbraw/zinc/87/60/64/1434876064.db2.gz QYJNUCFZXLPKGS-UHFFFAOYSA-N 1 0 395.507 3.448 20 30 GGEDRO COC(=O)[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000272183085 1434876556 /nfs/dbraw/zinc/87/65/56/1434876556.db2.gz ITQOJLVGRACYHT-MTNREXPMSA-N 1 0 377.488 3.273 20 30 GGEDRO COC(=O)[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000272183082 1434876580 /nfs/dbraw/zinc/87/65/80/1434876580.db2.gz ITQOJLVGRACYHT-BULFRSBZSA-N 1 0 377.488 3.273 20 30 GGEDRO C[C@H](NC(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272203245 1434877835 /nfs/dbraw/zinc/87/78/35/1434877835.db2.gz DKGJSAJSWBVVSJ-GHTZIAJQSA-N 1 0 377.488 3.158 20 30 GGEDRO C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272203247 1434877946 /nfs/dbraw/zinc/87/79/46/1434877946.db2.gz DKGJSAJSWBVVSJ-NQIIRXRSSA-N 1 0 377.488 3.158 20 30 GGEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@@H]2C1 ZINC000272273447 1434883249 /nfs/dbraw/zinc/88/32/49/1434883249.db2.gz CREMEFRKTKFXON-SJLPKXTDSA-N 1 0 381.505 3.163 20 30 GGEDRO C=CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)CCc1ccco1 ZINC000272270786 1434883254 /nfs/dbraw/zinc/88/32/54/1434883254.db2.gz LLIJXQKFEWTOCR-UHFFFAOYSA-N 1 0 383.492 3.176 20 30 GGEDRO C=CCN(CCc1ccco1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000272366187 1434890845 /nfs/dbraw/zinc/89/08/45/1434890845.db2.gz RCYHNHPCINYKRD-UHFFFAOYSA-N 1 0 397.519 3.177 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCCCOCCOCc2ccccc2)cc1OC ZINC000272405977 1434894259 /nfs/dbraw/zinc/89/42/59/1434894259.db2.gz NRJHGPIGVCKLDL-UHFFFAOYSA-N 1 0 387.480 3.054 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272509566 1434902017 /nfs/dbraw/zinc/90/20/17/1434902017.db2.gz WUNPZKLAKVURAL-SFHVURJKSA-N 1 0 387.491 3.334 20 30 GGEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000272540138 1434905657 /nfs/dbraw/zinc/90/56/57/1434905657.db2.gz ROZRIMLIJVJMCW-NVXWUHKLSA-N 1 0 386.496 3.122 20 30 GGEDRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000272595684 1434912532 /nfs/dbraw/zinc/91/25/32/1434912532.db2.gz SSBPFVWSBAKQIZ-RDTXWAMCSA-N 1 0 398.532 3.358 20 30 GGEDRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000272595680 1434912633 /nfs/dbraw/zinc/91/26/33/1434912633.db2.gz SSBPFVWSBAKQIZ-KSSFIOAISA-N 1 0 398.532 3.358 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000272708143 1434924765 /nfs/dbraw/zinc/92/47/65/1434924765.db2.gz WTLDCDGFHBBJSN-KRWDZBQOSA-N 1 0 396.491 3.282 20 30 GGEDRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272716251 1434925580 /nfs/dbraw/zinc/92/55/80/1434925580.db2.gz DAZAWHJTIRDQQA-YCRPNKLZSA-N 1 0 376.460 3.363 20 30 GGEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272716249 1434925614 /nfs/dbraw/zinc/92/56/14/1434925614.db2.gz DAZAWHJTIRDQQA-VFNWGFHPSA-N 1 0 376.460 3.363 20 30 GGEDRO COCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccco1 ZINC000272766818 1434929501 /nfs/dbraw/zinc/92/95/01/1434929501.db2.gz MDRRWBAGLWCFBC-LJQANCHMSA-N 1 0 384.480 3.002 20 30 GGEDRO [NH2+]=C(NCc1ccc(N2CCOC2=O)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000272776618 1434930377 /nfs/dbraw/zinc/93/03/77/1434930377.db2.gz AKRHAJMWQRWKGU-UHFFFAOYSA-N 1 0 392.381 3.267 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272816194 1434933258 /nfs/dbraw/zinc/93/32/58/1434933258.db2.gz IAMXTKHJOBSFHG-FQEVSTJZSA-N 1 0 395.894 3.264 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000272864367 1434937021 /nfs/dbraw/zinc/93/70/21/1434937021.db2.gz NNJJSVDBQZGJBE-RDJZCZTQSA-N 1 0 385.501 3.025 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000272864361 1434937097 /nfs/dbraw/zinc/93/70/97/1434937097.db2.gz NNJJSVDBQZGJBE-DOTOQJQBSA-N 1 0 385.501 3.025 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000272944194 1434942788 /nfs/dbraw/zinc/94/27/88/1434942788.db2.gz LLILLWXXSTUUHL-MHVWUQLFSA-N 1 0 389.565 3.394 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc([S@](C)=O)cc1 ZINC000272944195 1434942960 /nfs/dbraw/zinc/94/29/60/1434942960.db2.gz LLILLWXXSTUUHL-OPAHARLUSA-N 1 0 389.565 3.394 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000272944196 1434942975 /nfs/dbraw/zinc/94/29/75/1434942975.db2.gz LLILLWXXSTUUHL-PHWFMLOTSA-N 1 0 389.565 3.394 20 30 GGEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)ccc1OC ZINC000273005124 1434949122 /nfs/dbraw/zinc/94/91/22/1434949122.db2.gz AUTZWCGNCKXXPA-FQEVSTJZSA-N 1 0 395.503 3.326 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000273017061 1434950654 /nfs/dbraw/zinc/95/06/54/1434950654.db2.gz CXTJTBBEMMJZKT-UNMCSNQZSA-N 1 0 396.491 3.104 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000273017057 1434950672 /nfs/dbraw/zinc/95/06/72/1434950672.db2.gz CXTJTBBEMMJZKT-RBBKRZOGSA-N 1 0 396.491 3.104 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000273181180 1434969843 /nfs/dbraw/zinc/96/98/43/1434969843.db2.gz NONORUBCJGIDPP-KRWDZBQOSA-N 1 0 388.493 3.069 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)c1 ZINC000273197999 1434971684 /nfs/dbraw/zinc/97/16/84/1434971684.db2.gz DTVPYWUUXCFGOH-QFIPXVFZSA-N 1 0 377.488 3.202 20 30 GGEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000273388591 1434985521 /nfs/dbraw/zinc/98/55/21/1434985521.db2.gz JMXSYHHDTVQUID-OAHLLOKOSA-N 1 0 381.442 3.429 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1C#N ZINC000273450797 1434989618 /nfs/dbraw/zinc/98/96/18/1434989618.db2.gz ORPFJROPXPHLBQ-CQSZACIVSA-N 1 0 387.484 3.321 20 30 GGEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000273508098 1434993345 /nfs/dbraw/zinc/99/33/45/1434993345.db2.gz KVBQRERMPUJPCI-PBPGXSGUSA-N 1 0 399.539 3.015 20 30 GGEDRO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273538490 1434995385 /nfs/dbraw/zinc/99/53/85/1434995385.db2.gz SOEFTMBMGUDZRD-RZUBCFFCSA-N 1 0 384.451 3.289 20 30 GGEDRO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273538488 1434995478 /nfs/dbraw/zinc/99/54/78/1434995478.db2.gz SOEFTMBMGUDZRD-ONTIZHBOSA-N 1 0 384.451 3.289 20 30 GGEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1 ZINC000273542082 1434995583 /nfs/dbraw/zinc/99/55/83/1434995583.db2.gz XGFZLMPJXHNDLR-IBGZPJMESA-N 1 0 384.476 3.129 20 30 GGEDRO C=C(C)[C@H](Cc1nc(-c2ccc(OCC[NH+](C)C)c(OC)c2)no1)OCC ZINC000273734675 1435009133 /nfs/dbraw/zinc/00/91/33/1435009133.db2.gz LEFCVFLKVYKBKP-KRWDZBQOSA-N 1 0 375.469 3.209 20 30 GGEDRO COc1cc(-c2noc(-c3cccc(CC#N)c3)n2)ccc1OCC[NH+](C)C ZINC000273790276 1435014579 /nfs/dbraw/zinc/01/45/79/1435014579.db2.gz SMQFLFJBEKVYQT-UHFFFAOYSA-N 1 0 378.432 3.419 20 30 GGEDRO COc1cc(-c2noc(COc3ccccc3C#N)n2)ccc1OCC[NH+](C)C ZINC000273827862 1435018989 /nfs/dbraw/zinc/01/89/89/1435018989.db2.gz XRWNVCPWWVNAES-UHFFFAOYSA-N 1 0 394.431 3.136 20 30 GGEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000273886472 1435025319 /nfs/dbraw/zinc/02/53/19/1435025319.db2.gz SHROZRCUVIZALF-HSALFYBXSA-N 1 0 385.508 3.452 20 30 GGEDRO Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000274306001 1435059923 /nfs/dbraw/zinc/05/99/23/1435059923.db2.gz GTMSWRIRLNZLCP-INIZCTEOSA-N 1 0 394.475 3.163 20 30 GGEDRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000274684972 1435085521 /nfs/dbraw/zinc/08/55/21/1435085521.db2.gz SSEGZUXVDLCRAJ-WMZOPIPTSA-N 1 0 389.496 3.093 20 30 GGEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788826 1435092468 /nfs/dbraw/zinc/09/24/68/1435092468.db2.gz BOHAZDDEWPJURT-ZJOUEHCJSA-N 1 0 382.552 3.218 20 30 GGEDRO Cc1oc(NC(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274881116 1435100614 /nfs/dbraw/zinc/10/06/14/1435100614.db2.gz ZRVCNWLYYCXPNT-QRWLVFNGSA-N 1 0 380.492 3.207 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000275016672 1435109908 /nfs/dbraw/zinc/10/99/08/1435109908.db2.gz GCMBZCHHCJDLDS-UFYCRDLUSA-N 1 0 393.478 3.259 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+](C)C)c1 ZINC000275038032 1435111891 /nfs/dbraw/zinc/11/18/91/1435111891.db2.gz SJYQVVMUJOEERV-GOSISDBHSA-N 1 0 397.479 3.197 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1OCCCC#N ZINC000275246756 1435125666 /nfs/dbraw/zinc/12/56/66/1435125666.db2.gz GCWNGUQYGFLHQS-AVRDEDQJSA-N 1 0 398.507 3.348 20 30 GGEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000275371973 1435134877 /nfs/dbraw/zinc/13/48/77/1435134877.db2.gz YEZNTIXSDHSEOU-HKUYNNGSSA-N 1 0 393.409 3.407 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1OCCCC#N ZINC000275477232 1435141994 /nfs/dbraw/zinc/14/19/94/1435141994.db2.gz ICBZBRFFNKFOAC-PXNSSMCTSA-N 1 0 384.480 3.121 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000275618444 1435153349 /nfs/dbraw/zinc/15/33/49/1435153349.db2.gz JLGQGLXBCIQLCG-INIZCTEOSA-N 1 0 399.495 3.466 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c(F)c1 ZINC000275646144 1435155905 /nfs/dbraw/zinc/15/59/05/1435155905.db2.gz BICOJVHDJYDOIS-UHFFFAOYSA-N 1 0 394.450 3.303 20 30 GGEDRO C[NH+](C)CCc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000275752681 1435165686 /nfs/dbraw/zinc/16/56/86/1435165686.db2.gz BMMKANYHEXXVLO-UHFFFAOYSA-N 1 0 378.476 3.410 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(NC(=O)Nc2cc(C)n(CCC#N)n2)cc1 ZINC000275805114 1435171194 /nfs/dbraw/zinc/17/11/94/1435171194.db2.gz XKSIXBPRPSTPPF-UHFFFAOYSA-N 1 0 384.484 3.470 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1 ZINC000275856116 1435175063 /nfs/dbraw/zinc/17/50/63/1435175063.db2.gz AEFXQTLLRMICAS-UHFFFAOYSA-N 1 0 397.475 3.159 20 30 GGEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000275878567 1435176562 /nfs/dbraw/zinc/17/65/62/1435176562.db2.gz KRTFVGAYWJKTJU-UHFFFAOYSA-N 1 0 390.487 3.410 20 30 GGEDRO COc1cc(/C=C/C(=O)Nc2ccccc2CC[NH+](C)C)ccc1OCC#N ZINC000275882926 1435176984 /nfs/dbraw/zinc/17/69/84/1435176984.db2.gz QYAFGXZDFAOKHI-PKNBQFBNSA-N 1 0 379.460 3.354 20 30 GGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275991104 1435184376 /nfs/dbraw/zinc/18/43/76/1435184376.db2.gz GFEMQYHCDPPXHM-YLJYHZDGSA-N 1 0 379.508 3.054 20 30 GGEDRO Cc1cc(N2CCC([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)CC2)n[nH]1 ZINC000276073352 1435189455 /nfs/dbraw/zinc/18/94/55/1435189455.db2.gz SSGQKZPVELURGY-UHFFFAOYSA-N 1 0 389.507 3.254 20 30 GGEDRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000276125086 1435192385 /nfs/dbraw/zinc/19/23/85/1435192385.db2.gz XMEUXSNTHWTEIU-UHFFFAOYSA-N 1 0 397.479 3.026 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N(CC)CCC[NH+]2CCCC2)cc1C#N ZINC000276219577 1435198329 /nfs/dbraw/zinc/19/83/29/1435198329.db2.gz AXWPVAHCYUSBJB-UHFFFAOYSA-N 1 0 387.484 3.466 20 30 GGEDRO C=C[C@@](C)(CCOC)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000276341075 1435206025 /nfs/dbraw/zinc/20/60/25/1435206025.db2.gz YURRGTSXSAEGPA-QHCPKHFHSA-N 1 0 388.552 3.403 20 30 GGEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccco1 ZINC000276402352 1435209446 /nfs/dbraw/zinc/20/94/46/1435209446.db2.gz DIGUHMMXHHYIBC-IBGZPJMESA-N 1 0 390.505 3.098 20 30 GGEDRO CC(C)([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000276414898 1435210144 /nfs/dbraw/zinc/21/01/44/1435210144.db2.gz MXGAAILZTGZQQS-UHFFFAOYSA-N 1 0 382.386 3.066 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000276690363 1435225435 /nfs/dbraw/zinc/22/54/35/1435225435.db2.gz MTSDEZVGEPAUTA-UHFFFAOYSA-N 1 0 389.499 3.441 20 30 GGEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000276837622 1435236498 /nfs/dbraw/zinc/23/64/98/1435236498.db2.gz BTYLJQQYDKYQSM-FQEVSTJZSA-N 1 0 379.508 3.017 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)c1 ZINC000276841894 1435236911 /nfs/dbraw/zinc/23/69/11/1435236911.db2.gz HSADSRKRSLDPLZ-UHFFFAOYSA-N 1 0 383.492 3.142 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)c1 ZINC000276909706 1435242089 /nfs/dbraw/zinc/24/20/89/1435242089.db2.gz FNWYGFCKBVJDKK-NRFANRHFSA-N 1 0 388.471 3.162 20 30 GGEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000277058381 1435257524 /nfs/dbraw/zinc/25/75/24/1435257524.db2.gz MUIWHRGXCPFNDT-UYAOXDASSA-N 1 0 387.842 3.087 20 30 GGEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000277058378 1435257659 /nfs/dbraw/zinc/25/76/59/1435257659.db2.gz MUIWHRGXCPFNDT-QUCCMNQESA-N 1 0 387.842 3.087 20 30 GGEDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000277063018 1435258010 /nfs/dbraw/zinc/25/80/10/1435258010.db2.gz DINOXHRFVHPTAS-PMACEKPBSA-N 1 0 393.487 3.417 20 30 GGEDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000277063035 1435258091 /nfs/dbraw/zinc/25/80/91/1435258091.db2.gz DINOXHRFVHPTAS-VQTJNVASSA-N 1 0 393.487 3.417 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000277204584 1435278112 /nfs/dbraw/zinc/27/81/12/1435278112.db2.gz JUNLGZIVWJORNC-JTSKRJEESA-N 1 0 385.471 3.196 20 30 GGEDRO Cc1noc(C[C@@H]([NH2+]CC(=O)N(CCC#N)c2ccccc2)c2ccccc2)n1 ZINC000277285587 1435289520 /nfs/dbraw/zinc/28/95/20/1435289520.db2.gz SOTSLZBYKLUPGC-HXUWFJFHSA-N 1 0 389.459 3.198 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)CC1 ZINC000277422891 1435303716 /nfs/dbraw/zinc/30/37/16/1435303716.db2.gz GQOKMTBBWMPROM-IBGZPJMESA-N 1 0 383.496 3.002 20 30 GGEDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@H](O)COc1ccccc1 ZINC000277839298 1435335006 /nfs/dbraw/zinc/33/50/06/1435335006.db2.gz RWYZCSYXSHKEOH-IBGZPJMESA-N 1 0 381.476 3.037 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949209 1435345082 /nfs/dbraw/zinc/34/50/82/1435345082.db2.gz ZVVXMZVECRQQFD-WBMJQRKESA-N 1 0 389.805 3.175 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC000278049587 1435353847 /nfs/dbraw/zinc/35/38/47/1435353847.db2.gz UAEUFVMQJJBCPX-UHFFFAOYSA-N 1 0 387.505 3.208 20 30 GGEDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000278197009 1435368470 /nfs/dbraw/zinc/36/84/70/1435368470.db2.gz GBHJKRRXFDAWQO-QFIPXVFZSA-N 1 0 376.504 3.187 20 30 GGEDRO Fc1cccc(Cc2noc(CO/[NH+]=C/c3ccc(N4CCOCC4)cc3)n2)c1 ZINC000278239254 1435372489 /nfs/dbraw/zinc/37/24/89/1435372489.db2.gz KRTUIXUJIUOLRK-OEAKJJBVSA-N 1 0 396.422 3.187 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(C(=O)OC)cc2)C(=S)NC(C)C)cc1 ZINC000278344474 1435382069 /nfs/dbraw/zinc/38/20/69/1435382069.db2.gz VFHBJPBATKCIAI-UHFFFAOYSA-O 1 0 385.509 3.260 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2c(n1)CCCC2 ZINC000278400758 1435387630 /nfs/dbraw/zinc/38/76/30/1435387630.db2.gz OFBSQXBUQAILBJ-UHFFFAOYSA-N 1 0 391.519 3.105 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278457780 1435392381 /nfs/dbraw/zinc/39/23/81/1435392381.db2.gz OHLCSKAJZIDNQU-UHFFFAOYSA-N 1 0 386.374 3.063 20 30 GGEDRO COC[C@@H](C)OC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000278458720 1435392488 /nfs/dbraw/zinc/39/24/88/1435392488.db2.gz YNKNPTWYOTUIOV-VGSWGCGISA-N 1 0 386.467 3.112 20 30 GGEDRO Cn1c(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)nc2ccccc21 ZINC000278561059 1435399963 /nfs/dbraw/zinc/39/99/63/1435399963.db2.gz CLHLYKPCWMOXPT-UHFFFAOYSA-N 1 0 399.502 3.468 20 30 GGEDRO CC(C)(O)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278581620 1435402107 /nfs/dbraw/zinc/40/21/07/1435402107.db2.gz FWALNQXJGJKASY-UHFFFAOYSA-N 1 0 375.476 3.376 20 30 GGEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278587326 1435402662 /nfs/dbraw/zinc/40/26/62/1435402662.db2.gz YUSDPFDFIASHNL-MRXNPFEDSA-N 1 0 386.496 3.062 20 30 GGEDRO COc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000278606867 1435404837 /nfs/dbraw/zinc/40/48/37/1435404837.db2.gz IINPNLSYTAHAIO-UHFFFAOYSA-N 1 0 379.439 3.339 20 30 GGEDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000278606917 1435404840 /nfs/dbraw/zinc/40/48/40/1435404840.db2.gz IIRTUAIMFIMRPU-UHFFFAOYSA-N 1 0 389.507 3.390 20 30 GGEDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278606767 1435404875 /nfs/dbraw/zinc/40/48/75/1435404875.db2.gz IGDYLSMOVKTYPG-QGZVFWFLSA-N 1 0 391.475 3.424 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000278614274 1435405879 /nfs/dbraw/zinc/40/58/79/1435405879.db2.gz IYZSUZIKXITTCG-QFIPXVFZSA-N 1 0 386.503 3.223 20 30 GGEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N(C)Cc1ccccc1 ZINC000278619275 1435406356 /nfs/dbraw/zinc/40/63/56/1435406356.db2.gz JPYPAIZXCGGRGG-IBGZPJMESA-N 1 0 388.519 3.469 20 30 GGEDRO N#CCCn1cc(C[NH2+]Cc2cccc3c2OCCCO3)c(-c2ccncc2)n1 ZINC000278641764 1435408955 /nfs/dbraw/zinc/40/89/55/1435408955.db2.gz LLULKLXPXYTVDI-UHFFFAOYSA-N 1 0 389.459 3.310 20 30 GGEDRO COc1ccc(OCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278699715 1435415207 /nfs/dbraw/zinc/41/52/07/1435415207.db2.gz QSHJLJAUFKMLQZ-UHFFFAOYSA-N 1 0 391.475 3.426 20 30 GGEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc(F)cc1 ZINC000278733548 1435418536 /nfs/dbraw/zinc/41/85/36/1435418536.db2.gz URQOYJWEZGVNGH-NRFANRHFSA-N 1 0 392.482 3.390 20 30 GGEDRO COc1cccc(OCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278782822 1435423198 /nfs/dbraw/zinc/42/31/98/1435423198.db2.gz ZHRLAXPBGDMOLE-UHFFFAOYSA-N 1 0 391.475 3.426 20 30 GGEDRO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(C#N)cc1 ZINC000278799656 1435424792 /nfs/dbraw/zinc/42/47/92/1435424792.db2.gz QZXMQYVRGTWMGQ-MRXNPFEDSA-N 1 0 389.443 3.161 20 30 GGEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1C#N ZINC000278830447 1435428505 /nfs/dbraw/zinc/42/85/05/1435428505.db2.gz JREDZSMBAXRSKD-INIZCTEOSA-N 1 0 386.496 3.062 20 30 GGEDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278833800 1435428860 /nfs/dbraw/zinc/42/88/60/1435428860.db2.gz AFHWIRMTKLSQSP-GOSISDBHSA-N 1 0 395.507 3.412 20 30 GGEDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(C#N)cc1 ZINC000278841753 1435429890 /nfs/dbraw/zinc/42/98/90/1435429890.db2.gz UWBQLBGYYUOYIV-IBGZPJMESA-N 1 0 381.476 3.275 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)n1 ZINC000279010468 1435451806 /nfs/dbraw/zinc/45/18/06/1435451806.db2.gz GVYLIHATDLMHQK-UHFFFAOYSA-N 1 0 397.523 3.291 20 30 GGEDRO CCn1nccc1C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000279076048 1435457947 /nfs/dbraw/zinc/45/79/47/1435457947.db2.gz NHGKAGAYRJUCIY-OAQYLSRUSA-N 1 0 377.492 3.150 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H](C)C1 ZINC000279110784 1435461535 /nfs/dbraw/zinc/46/15/35/1435461535.db2.gz UUTWUDWTUWPOGP-VQIMIIECSA-N 1 0 396.491 3.080 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)n1 ZINC000279220798 1435473099 /nfs/dbraw/zinc/47/30/99/1435473099.db2.gz LRIDCDFWZKDTCN-IBGZPJMESA-N 1 0 387.553 3.192 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)c1C#N ZINC000279261151 1435478510 /nfs/dbraw/zinc/47/85/10/1435478510.db2.gz MEWSNXFIOGEFSB-OXQOHEQNSA-N 1 0 398.482 3.184 20 30 GGEDRO CC(C)(C)CC[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279370519 1435491994 /nfs/dbraw/zinc/49/19/94/1435491994.db2.gz IQZIYRGZNJPTOB-UHFFFAOYSA-N 1 0 380.540 3.413 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)c1C#N ZINC000279389174 1435494025 /nfs/dbraw/zinc/49/40/25/1435494025.db2.gz YPKZENFMFNMKRM-XLIONFOSSA-N 1 0 380.492 3.045 20 30 GGEDRO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000279447878 1435500577 /nfs/dbraw/zinc/50/05/77/1435500577.db2.gz ZEFUETORXGVUEL-HXUWFJFHSA-N 1 0 390.512 3.428 20 30 GGEDRO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000279565024 1435513674 /nfs/dbraw/zinc/51/36/74/1435513674.db2.gz PEIQBAZEOGCEPE-HSZRJFAPSA-N 1 0 398.510 3.290 20 30 GGEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000279597958 1435517380 /nfs/dbraw/zinc/51/73/80/1435517380.db2.gz RZGKPRIMQDWJOT-FQEVSTJZSA-N 1 0 392.528 3.330 20 30 GGEDRO COc1cc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1OCC[NH+](C)C ZINC000279922953 1435563878 /nfs/dbraw/zinc/56/38/78/1435563878.db2.gz XNCRBYYEOZZNQX-UHFFFAOYSA-N 1 0 395.503 3.367 20 30 GGEDRO CN(C)[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000279988683 1435572989 /nfs/dbraw/zinc/57/29/89/1435572989.db2.gz OQVKFAYLBBYULT-PXNSSMCTSA-N 1 0 380.879 3.313 20 30 GGEDRO Cc1nc2ccccc2n1C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000280143425 1435599215 /nfs/dbraw/zinc/59/92/15/1435599215.db2.gz CHMKSTKRCJYCAJ-FQEVSTJZSA-N 1 0 390.487 3.293 20 30 GGEDRO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 ZINC000280170876 1435602949 /nfs/dbraw/zinc/60/29/49/1435602949.db2.gz XPCRCAPXSCREAQ-HXUWFJFHSA-N 1 0 387.487 3.021 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000280171921 1435603338 /nfs/dbraw/zinc/60/33/38/1435603338.db2.gz SNYSYFUTJZSEGB-YFXJRYMSSA-N 1 0 386.499 3.410 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280289356 1435627301 /nfs/dbraw/zinc/62/73/01/1435627301.db2.gz FALLNCXLNRDCSR-LEOXJPRUSA-N 1 0 386.499 3.267 20 30 GGEDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000280332984 1435637702 /nfs/dbraw/zinc/63/77/02/1435637702.db2.gz RGSKMXDXIJJMLR-ROUUACIJSA-N 1 0 383.536 3.449 20 30 GGEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C[C@@H](C)O1 ZINC000280332983 1435637747 /nfs/dbraw/zinc/63/77/47/1435637747.db2.gz RGSKMXDXIJJMLR-QZTJIDSGSA-N 1 0 383.536 3.449 20 30 GGEDRO N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1 ZINC000280399222 1435653346 /nfs/dbraw/zinc/65/33/46/1435653346.db2.gz XPVHCBKUTKINPZ-OAQYLSRUSA-N 1 0 399.454 3.290 20 30 GGEDRO Cc1cccc(CC2(O)CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000280510798 1435671645 /nfs/dbraw/zinc/67/16/45/1435671645.db2.gz NNDDJWZAOBEEET-LJQANCHMSA-N 1 0 395.528 3.103 20 30 GGEDRO Cc1cccc(CC2(O)CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000280510796 1435671652 /nfs/dbraw/zinc/67/16/52/1435671652.db2.gz NNDDJWZAOBEEET-IBGZPJMESA-N 1 0 395.528 3.103 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](CC2CCC2)[C@H](C)CO)c1C#N ZINC000280569726 1435681586 /nfs/dbraw/zinc/68/15/86/1435681586.db2.gz RUZHERSVJDYNIZ-OAHLLOKOSA-N 1 0 398.507 3.039 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000280635546 1435694164 /nfs/dbraw/zinc/69/41/64/1435694164.db2.gz MOQITJWPESAASS-BLIXFSHQSA-N 1 0 390.524 3.012 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000280635549 1435694448 /nfs/dbraw/zinc/69/44/48/1435694448.db2.gz MOQITJWPESAASS-CDXJDZJCSA-N 1 0 390.524 3.012 20 30 GGEDRO Cc1oc(C#N)cc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000280655400 1435698750 /nfs/dbraw/zinc/69/87/50/1435698750.db2.gz ORAYUOHCDCVPMB-UHFFFAOYSA-N 1 0 381.476 3.261 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000280671015 1435701144 /nfs/dbraw/zinc/70/11/44/1435701144.db2.gz PWSRPILODNRACT-NQIIRXRSSA-N 1 0 386.540 3.240 20 30 GGEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000280861246 1435732518 /nfs/dbraw/zinc/73/25/18/1435732518.db2.gz QMYOKFGODHTKTJ-RBUKOAKNSA-N 1 0 378.501 3.255 20 30 GGEDRO C=CCN1CC[C@H]([NH2+][C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)C1=O ZINC000280900621 1435738841 /nfs/dbraw/zinc/73/88/41/1435738841.db2.gz BNPLZDAIZDDSDA-IERDGZPVSA-N 1 0 395.478 3.444 20 30 GGEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC(OCCC[NH+](C)C)CC3)c2c1 ZINC000281120895 1435778403 /nfs/dbraw/zinc/77/84/03/1435778403.db2.gz HLVVVICUSWCNNN-UHFFFAOYSA-N 1 0 398.507 3.061 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000281164122 1435787374 /nfs/dbraw/zinc/78/73/74/1435787374.db2.gz CPHXJUBFIMOHTQ-ACRUOGEOSA-N 1 0 386.540 3.059 20 30 GGEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000281265610 1435801549 /nfs/dbraw/zinc/80/15/49/1435801549.db2.gz QWZFRJZGTMTFJL-UHFFFAOYSA-N 1 0 382.552 3.118 20 30 GGEDRO Cc1oc(C#N)cc1C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281285193 1435802363 /nfs/dbraw/zinc/80/23/63/1435802363.db2.gz MJUIYTCYEMZQLB-KRWDZBQOSA-N 1 0 375.432 3.356 20 30 GGEDRO N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000281333385 1435804134 /nfs/dbraw/zinc/80/41/34/1435804134.db2.gz SCBMLRPYOIXYKX-NRFANRHFSA-N 1 0 399.498 3.038 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000281352768 1435805033 /nfs/dbraw/zinc/80/50/33/1435805033.db2.gz WWVYTWSBWKGRDO-IFMALSPDSA-N 1 0 391.515 3.101 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000281352863 1435805076 /nfs/dbraw/zinc/80/50/76/1435805076.db2.gz DQDIUNJSHRIPJA-FIKGOQFSSA-N 1 0 399.535 3.083 20 30 GGEDRO C=CCOc1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1OC ZINC000281391191 1435806944 /nfs/dbraw/zinc/80/69/44/1435806944.db2.gz WWHZNTMCHYONBP-UHFFFAOYSA-N 1 0 386.414 3.151 20 30 GGEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000281393907 1435807020 /nfs/dbraw/zinc/80/70/20/1435807020.db2.gz NBFGMYOPDLPKFV-AZFSHXRASA-N 1 0 375.900 3.412 20 30 GGEDRO Cc1ccc([C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000281410016 1435807796 /nfs/dbraw/zinc/80/77/96/1435807796.db2.gz RCAGFRNWRZYELS-IEBWSBKVSA-N 1 0 378.538 3.159 20 30 GGEDRO C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281504670 1435811644 /nfs/dbraw/zinc/81/16/44/1435811644.db2.gz WYPXKOUJYBWMMH-WMZOPIPTSA-N 1 0 377.492 3.127 20 30 GGEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000281630895 1435816314 /nfs/dbraw/zinc/81/63/14/1435816314.db2.gz URJZBNNGESSJKT-UHFFFAOYSA-N 1 0 379.489 3.009 20 30 GGEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000282008031 1435830820 /nfs/dbraw/zinc/83/08/20/1435830820.db2.gz ODUCJZJKHLONPJ-UHFFFAOYSA-N 1 0 389.503 3.329 20 30 GGEDRO O=C(C[NH2+][C@@H]1CCCC12CCOCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000282046276 1435832479 /nfs/dbraw/zinc/83/24/79/1435832479.db2.gz LVRYJLNMBHECRW-GOSISDBHSA-N 1 0 394.437 3.112 20 30 GGEDRO CC[N@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000282067838 1435833359 /nfs/dbraw/zinc/83/33/59/1435833359.db2.gz SPEWJTACXWFXCQ-UHFFFAOYSA-N 1 0 386.496 3.006 20 30 GGEDRO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000282106269 1435834881 /nfs/dbraw/zinc/83/48/81/1435834881.db2.gz PQNFSPHOCRIPOD-MDZRGWNJSA-N 1 0 384.524 3.134 20 30 GGEDRO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000282106263 1435834883 /nfs/dbraw/zinc/83/48/83/1435834883.db2.gz PQNFSPHOCRIPOD-GPMSIDNRSA-N 1 0 384.524 3.134 20 30 GGEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000282134082 1435835936 /nfs/dbraw/zinc/83/59/36/1435835936.db2.gz AYMSFLCRNXJCPT-UHFFFAOYSA-N 1 0 399.564 3.440 20 30 GGEDRO C=CCn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000282243107 1435839856 /nfs/dbraw/zinc/83/98/56/1435839856.db2.gz KDYWMVVJXLOXAW-UHFFFAOYSA-N 1 0 388.519 3.081 20 30 GGEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000282258953 1435840477 /nfs/dbraw/zinc/84/04/77/1435840477.db2.gz LLBPDNQJJACJPF-FQEVSTJZSA-N 1 0 383.540 3.349 20 30 GGEDRO C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000282301098 1435842247 /nfs/dbraw/zinc/84/22/47/1435842247.db2.gz OSFHEOAHPHICFU-YLJYHZDGSA-N 1 0 397.523 3.145 20 30 GGEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC000282306704 1435842459 /nfs/dbraw/zinc/84/24/59/1435842459.db2.gz PCJLRIXRCWKXHL-QGZVFWFLSA-N 1 0 394.548 3.395 20 30 GGEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000282341792 1435843806 /nfs/dbraw/zinc/84/38/06/1435843806.db2.gz RQDJUWKHRJQPRG-MRXNPFEDSA-N 1 0 384.484 3.207 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000282442648 1435847345 /nfs/dbraw/zinc/84/73/45/1435847345.db2.gz ZORMOFVOKVJSDO-INIZCTEOSA-N 1 0 389.569 3.086 20 30 GGEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000282469196 1435848278 /nfs/dbraw/zinc/84/82/78/1435848278.db2.gz BOESJTNIDMMWIB-QGZVFWFLSA-N 1 0 387.503 3.350 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)C(C)(C)C1 ZINC000282592998 1435852980 /nfs/dbraw/zinc/85/29/80/1435852980.db2.gz XFHJBKUNUDFKGJ-CQSZACIVSA-N 1 0 392.525 3.183 20 30 GGEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000282715612 1435857590 /nfs/dbraw/zinc/85/75/90/1435857590.db2.gz WCXHBFVNGRQURD-LJQANCHMSA-N 1 0 383.540 3.254 20 30 GGEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000282755138 1435859197 /nfs/dbraw/zinc/85/91/97/1435859197.db2.gz BMLABUAJYCUFIR-UHFFFAOYSA-N 1 0 397.571 3.171 20 30 GGEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282794024 1435860514 /nfs/dbraw/zinc/86/05/14/1435860514.db2.gz MITDROCWONFUGI-UHFFFAOYSA-N 1 0 396.539 3.210 20 30 GGEDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000282931931 1435866598 /nfs/dbraw/zinc/86/65/98/1435866598.db2.gz IARKDGRUEXSYIN-NRFANRHFSA-N 1 0 375.476 3.299 20 30 GGEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000283144618 1435876619 /nfs/dbraw/zinc/87/66/19/1435876619.db2.gz DFQHOCYPTCITNF-LJQANCHMSA-N 1 0 380.540 3.152 20 30 GGEDRO CCCCCCCCCNC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000283468957 1435891318 /nfs/dbraw/zinc/89/13/18/1435891318.db2.gz LMODTQXNKLLURH-UHFFFAOYSA-N 1 0 388.556 3.029 20 30 GGEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000283553126 1435895135 /nfs/dbraw/zinc/89/51/35/1435895135.db2.gz IHCPQBLZCHKYSH-UHFFFAOYSA-N 1 0 399.502 3.110 20 30 GGEDRO CCCCCCCCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000283554264 1435895178 /nfs/dbraw/zinc/89/51/78/1435895178.db2.gz QVWMAQGCNUMYRJ-UHFFFAOYSA-N 1 0 388.556 3.029 20 30 GGEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000283581614 1435896564 /nfs/dbraw/zinc/89/65/64/1435896564.db2.gz KJLNLRXJECNKQY-PXNSSMCTSA-N 1 0 378.524 3.369 20 30 GGEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000283581626 1435896567 /nfs/dbraw/zinc/89/65/67/1435896567.db2.gz KJLNLRXJECNKQY-YLJYHZDGSA-N 1 0 378.524 3.369 20 30 GGEDRO C=CCCC[NH+]1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000283764982 1435918774 /nfs/dbraw/zinc/91/87/74/1435918774.db2.gz NWGHAFIGCBKRFS-UHFFFAOYSA-N 1 0 375.517 3.174 20 30 GGEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283812618 1435928909 /nfs/dbraw/zinc/92/89/09/1435928909.db2.gz CJOAXAIWUYAILJ-UHFFFAOYSA-N 1 0 392.503 3.373 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)OCCO2)C(=S)NC1(C)CC1 ZINC000283834366 1435933115 /nfs/dbraw/zinc/93/31/15/1435933115.db2.gz BMUFOJHMFHLGOQ-UHFFFAOYSA-O 1 0 397.520 3.389 20 30 GGEDRO COc1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(C)cc2)c(OC)c1 ZINC000283965278 1435963490 /nfs/dbraw/zinc/96/34/90/1435963490.db2.gz GDQSXIKQLDJHTG-UHFFFAOYSA-O 1 0 385.509 3.381 20 30 GGEDRO CCCCOc1ccc(C(=O)C(C(=S)NCC)[n+]2cccc(CO)c2)cc1 ZINC000283993013 1435969842 /nfs/dbraw/zinc/96/98/42/1435969842.db2.gz HBJFRKXFGHNGCI-UHFFFAOYSA-O 1 0 387.525 3.194 20 30 GGEDRO CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000284445014 1436022323 /nfs/dbraw/zinc/02/23/23/1436022323.db2.gz QNIVACLWIAVJIV-LJQANCHMSA-N 1 0 394.523 3.061 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)NC2(C)CC2)c1 ZINC000284449559 1436022812 /nfs/dbraw/zinc/02/28/12/1436022812.db2.gz PVHKPZYADDLSQT-UHFFFAOYSA-O 1 0 383.493 3.135 20 30 GGEDRO COC(=O)c1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(C)cc2)cc1 ZINC000284540993 1436029231 /nfs/dbraw/zinc/02/92/31/1436029231.db2.gz VKSJMLADSOZYSB-UHFFFAOYSA-O 1 0 383.493 3.150 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000284741177 1436045348 /nfs/dbraw/zinc/04/53/48/1436045348.db2.gz KSOXBWRPYSUKEB-LSDHHAIUSA-N 1 0 385.489 3.030 20 30 GGEDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccc(C#N)cc1 ZINC000284753596 1436046472 /nfs/dbraw/zinc/04/64/72/1436046472.db2.gz GCGFLEMYNXXJGW-NNMXDRDESA-N 1 0 377.492 3.227 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2OC)cc1 ZINC000284809703 1436051946 /nfs/dbraw/zinc/05/19/46/1436051946.db2.gz QFNUPYJACRZHPU-HNNXBMFYSA-N 1 0 388.489 3.090 20 30 GGEDRO C[C@@H]([NH2+]CC=CC[NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584885 1441723198 /nfs/dbraw/zinc/72/31/98/1441723198.db2.gz IXYRIIPHWTVJSQ-OPCNFVSTSA-N 1 0 387.491 3.296 20 30 GGEDRO C[C@@H]([NH2+]CCC[NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824590281 1442106812 /nfs/dbraw/zinc/10/68/12/1442106812.db2.gz AYRANGDILKTCTI-JKSUJKDBSA-N 1 0 375.480 3.130 20 30 GGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CC([NH3+])C2)CC1 ZINC001164388479 718802001 /nfs/dbraw/zinc/80/20/01/718802001.db2.gz VQVCSMKLOFTBJF-UHFFFAOYSA-N 1 0 398.841 3.036 20 30 GGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@H]43)c(Cl)nn2)cc1 ZINC001164411012 718877369 /nfs/dbraw/zinc/87/73/69/718877369.db2.gz LFJFWPAPVZQWFN-GOEBONIOSA-N 1 0 375.810 3.154 20 30 GGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4C[C@]4([NH3+])C3)c(Cl)nn2)cc1 ZINC001164418626 718897332 /nfs/dbraw/zinc/89/73/32/718897332.db2.gz DVJMFGZHSWIZLE-DYVFJYSZSA-N 1 0 375.810 3.141 20 30 GGEDRO COc1cc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164423688 718943650 /nfs/dbraw/zinc/94/36/50/718943650.db2.gz JPSLDOIRHMFKNH-GOEBONIOSA-N 1 0 390.821 3.236 20 30 GGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C#N)c4ccccc4n3)CC2)CC1 ZINC001164618618 719031680 /nfs/dbraw/zinc/03/16/80/719031680.db2.gz VYYMWUXLMJGQID-UHFFFAOYSA-N 1 0 392.503 3.350 20 30 GGEDRO N#Cc1c(Cl)nc(C(F)(F)N2CCC(C3C[NH2+]C3)CC2)nc1C(F)(F)F ZINC001164615076 719037681 /nfs/dbraw/zinc/03/76/81/719037681.db2.gz ICLLVRDEOOZBGQ-UHFFFAOYSA-N 1 0 395.763 3.001 20 30 GGEDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)C[C@H]21 ZINC001164667225 719397565 /nfs/dbraw/zinc/39/75/65/719397565.db2.gz NGUIPZXWTBBMTA-QZTJIDSGSA-N 1 0 376.485 3.354 20 30 GGEDRO Cc1c(Cl)c(Cl)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1C#N ZINC001164684004 719611028 /nfs/dbraw/zinc/61/10/28/719611028.db2.gz LWZVEYVGUWVSQY-UHFFFAOYSA-N 1 0 393.322 3.240 20 30 GGEDRO CCCc1cc(C#N)c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1Cl ZINC001164682214 719627958 /nfs/dbraw/zinc/62/79/58/719627958.db2.gz LVZAKVIPHPHCOO-UHFFFAOYSA-N 1 0 386.931 3.231 20 30 GGEDRO Cc1cnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c(C#C[Si](C)(C)C)c1 ZINC001164683337 719633735 /nfs/dbraw/zinc/63/37/35/719633735.db2.gz SCLRBWVMTBAQEB-UHFFFAOYSA-N 1 0 395.627 3.291 20 30 GGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)cnc2C#N)CC3)cs1 ZINC001164691792 719805934 /nfs/dbraw/zinc/80/59/34/719805934.db2.gz KFIFUHBMXURYTR-UHFFFAOYSA-N 1 0 388.928 3.402 20 30 GGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(C#N)cc2C#N)CC3)cs1 ZINC001164694357 719806742 /nfs/dbraw/zinc/80/67/42/719806742.db2.gz WBNMGJZZPQHINX-UHFFFAOYSA-N 1 0 378.505 3.225 20 30 GGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])cc2C#N)CC3)cs1 ZINC001164694069 719807459 /nfs/dbraw/zinc/80/74/59/719807459.db2.gz UMKFGRHRXCCJCI-UHFFFAOYSA-N 1 0 398.492 3.261 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cl)c(C)c1C#N)C2 ZINC001164806387 720075805 /nfs/dbraw/zinc/07/58/05/720075805.db2.gz BUIGTZXUMIKYIS-UTKZUKDTSA-N 1 0 388.943 3.408 20 30 GGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C#N)CC2 ZINC001164709570 720099739 /nfs/dbraw/zinc/09/97/39/720099739.db2.gz AXVCMPJPTXUHMB-NRFANRHFSA-N 1 0 391.519 3.164 20 30 GGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c(C#N)cn1)CC2 ZINC001164715533 720112531 /nfs/dbraw/zinc/11/25/31/720112531.db2.gz HLWNCSBXXVEMSN-OAQYLSRUSA-N 1 0 391.519 3.164 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C3(C#N)CCC3)cn1)C2 ZINC001164813770 720114809 /nfs/dbraw/zinc/11/48/09/720114809.db2.gz QLBKNGXNAQUYCU-NZQKXSOJSA-N 1 0 380.536 3.212 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C#N)c3ccccc3n1)C2 ZINC001164814423 720167173 /nfs/dbraw/zinc/16/71/73/720167173.db2.gz GJQGOYTXYOSVHZ-CVDCTZTESA-N 1 0 376.504 3.291 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C#C[Si](C)(C)C)ccn1)C2 ZINC001164813321 720197166 /nfs/dbraw/zinc/19/71/66/720197166.db2.gz OIQRVJKWMASVCG-JTHBVZDNSA-N 1 0 397.639 3.495 20 30 GGEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726359 720429219 /nfs/dbraw/zinc/42/92/19/720429219.db2.gz BVLKHXLFWJJEMQ-FCHUYYIVSA-N 1 0 382.471 3.263 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C#N)cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833375 720513344 /nfs/dbraw/zinc/51/33/44/720513344.db2.gz DLCPJXCNSRARRR-JENIJYKNSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)ncc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836093 720513735 /nfs/dbraw/zinc/51/37/35/720513735.db2.gz MHYLZAKYSXOUMW-RYQLBKOJSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)ncc3C#N)CC[C@@H]21 ZINC001164836092 720514362 /nfs/dbraw/zinc/51/43/62/720514362.db2.gz MHYLZAKYSXOUMW-NJAFHUGGSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(Cl)c3C#N)CC[C@@H]21 ZINC001164839097 720522313 /nfs/dbraw/zinc/52/23/13/720522313.db2.gz SSGHYSPEZNAPIN-GJYPPUQNSA-N 1 0 384.915 3.181 20 30 GGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3ccccc3c(Cl)c2C#N)C1 ZINC001164734596 720523341 /nfs/dbraw/zinc/52/33/41/720523341.db2.gz RBDJSLRBJSSJSL-CQSZACIVSA-N 1 0 380.883 3.154 20 30 GGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3cccs3)ccc2C#N)C1 ZINC001164733941 720525262 /nfs/dbraw/zinc/52/52/62/720525262.db2.gz NEMWMVMZGLGVHJ-OAHLLOKOSA-N 1 0 378.505 3.076 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)cc(C#N)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835814 720531740 /nfs/dbraw/zinc/53/17/40/720531740.db2.gz HWOOIDQJRAKATK-ZYSHUDEJSA-N 1 0 384.915 3.181 20 30 GGEDRO Cc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C ZINC001164836762 720532096 /nfs/dbraw/zinc/53/20/96/720532096.db2.gz KVGPIXYJNMWJGM-QHAWAJNXSA-N 1 0 378.524 3.144 20 30 GGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c12 ZINC001164736220 720536808 /nfs/dbraw/zinc/53/68/08/720536808.db2.gz WBXLSAJFSSAQDA-OAHLLOKOSA-N 1 0 394.910 3.463 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(Cl)cc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835940 720581567 /nfs/dbraw/zinc/58/15/67/720581567.db2.gz CXTSASFMHOQLGO-NZSAHSFTSA-N 1 0 384.915 3.181 20 30 GGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164744307 720593831 /nfs/dbraw/zinc/59/38/31/720593831.db2.gz RJWBHXUIBHPSHI-UHFFFAOYSA-N 1 0 391.306 3.115 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4c(cc3C#N)CCC4)CC[C@@H]21 ZINC001164841562 720604440 /nfs/dbraw/zinc/60/44/40/720604440.db2.gz TWJJHATZLWNVBQ-URVUXULASA-N 1 0 390.535 3.016 20 30 GGEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)cc1C#N ZINC001164840267 720641982 /nfs/dbraw/zinc/64/19/82/720641982.db2.gz PQPAYVWRBKTTAS-WSTZPKSXSA-N 1 0 398.942 3.489 20 30 GGEDRO COc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1C#N ZINC001164837543 720660379 /nfs/dbraw/zinc/66/03/79/720660379.db2.gz CVBRNCZRZKBNAZ-FQEVSTJZSA-N 1 0 392.503 3.222 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C#N)cc1F)CC2 ZINC001164838216 720703481 /nfs/dbraw/zinc/70/34/81/720703481.db2.gz HPOVMSMRKSFZJD-IBGZPJMESA-N 1 0 380.467 3.352 20 30 GGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3ccc(C#N)cc31)[C@@H]2C ZINC001164857620 720935912 /nfs/dbraw/zinc/93/59/12/720935912.db2.gz GQGQNGHIGALCEN-OAHLLOKOSA-N 1 0 375.480 3.119 20 30 GGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)CCCC3)[C@@H]2C ZINC001164863590 721000881 /nfs/dbraw/zinc/00/08/81/721000881.db2.gz WZHMQHKUJGZBAD-MRXNPFEDSA-N 1 0 378.524 3.450 20 30 GGEDRO CCCc1cc(C#N)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1Cl ZINC001164762828 721151596 /nfs/dbraw/zinc/15/15/96/721151596.db2.gz DUYOCSATNWNBKU-HKUYNNGSSA-N 1 0 398.942 3.251 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@@H]3C2)cn1 ZINC001164771325 721163950 /nfs/dbraw/zinc/16/39/50/721163950.db2.gz SAGJAWAHMVSKFX-SFTDATJTSA-N 1 0 393.611 3.002 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@@H]3C2)cn1 ZINC001164771324 721165173 /nfs/dbraw/zinc/16/51/73/721165173.db2.gz SAGJAWAHMVSKFX-RTWAWAEBSA-N 1 0 393.611 3.002 20 30 GGEDRO N#C[C@H](c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nn1)c1ccccc1F ZINC001164771308 721292763 /nfs/dbraw/zinc/29/27/63/721292763.db2.gz ZQQHEEQBWNMFNA-SFHVURJKSA-N 1 0 377.467 3.193 20 30 GGEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164792862 721491973 /nfs/dbraw/zinc/49/19/73/721491973.db2.gz NGDCKHMQFCJJQC-UHFFFAOYSA-N 1 0 382.899 3.278 20 30 GGEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2 ZINC001164792954 721493816 /nfs/dbraw/zinc/49/38/16/721493816.db2.gz WCUPFFFOYHHXNG-UHFFFAOYSA-N 1 0 392.463 3.137 20 30 GGEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(C#N)ccc1[N+](=O)[O-])CC2 ZINC001164792299 721495483 /nfs/dbraw/zinc/49/54/83/721495483.db2.gz NPGMYYRXOYOKDL-UHFFFAOYSA-N 1 0 392.463 3.137 20 30 GGEDRO Cc1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(C=NO)c1 ZINC001164796710 721498829 /nfs/dbraw/zinc/49/88/29/721498829.db2.gz WBKQPFPJMCINBD-UHFFFAOYSA-N 1 0 379.508 3.474 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900309 721513341 /nfs/dbraw/zinc/51/33/41/721513341.db2.gz QALVKJVFLNHBIY-NVXWUHKLSA-N 1 0 386.858 3.396 20 30 GGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164808857 721576762 /nfs/dbraw/zinc/57/67/62/721576762.db2.gz WAZDUQQFZYVQAZ-CQOQZXRMSA-N 1 0 399.498 3.370 20 30 GGEDRO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1C#N ZINC001164905476 721699133 /nfs/dbraw/zinc/69/91/33/721699133.db2.gz JNMZHPUQYKMLSS-FQEVSTJZSA-N 1 0 383.446 3.394 20 30 GGEDRO Cc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C#N ZINC001164907499 721701961 /nfs/dbraw/zinc/70/19/61/721701961.db2.gz UURJFZUTRRIFBO-FQEVSTJZSA-N 1 0 383.446 3.394 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3C#N)C[C@H]21 ZINC001165025495 721805347 /nfs/dbraw/zinc/80/53/47/721805347.db2.gz OQQALVAIDCERAF-BMGDILEWSA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3C#N)C[C@H]21 ZINC001165025501 721805352 /nfs/dbraw/zinc/80/53/52/721805352.db2.gz OQQALVAIDCERAF-ZTFGCOKTSA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc(Cl)c3C#N)C[C@@H]21 ZINC001165024016 721805432 /nfs/dbraw/zinc/80/54/32/721805432.db2.gz KRHSWEOJXSJYPF-FHLIZLRMSA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cnc3C#N)C[C@H]21 ZINC001165027722 721805452 /nfs/dbraw/zinc/80/54/52/721805452.db2.gz XMMNCHNVWOZAQB-YXJHDRRASA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)cc3C#N)C[C@H]21 ZINC001165024663 721806270 /nfs/dbraw/zinc/80/62/70/721806270.db2.gz MQYHUVFQOYXWLR-BMGDILEWSA-N 1 0 382.899 3.134 20 30 GGEDRO COc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165018697 721808436 /nfs/dbraw/zinc/80/84/36/721808436.db2.gz BYBIBTSOSACUMA-VDGAXYAQSA-N 1 0 377.492 3.094 20 30 GGEDRO C=CCOc1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025162 721813316 /nfs/dbraw/zinc/81/33/16/721813316.db2.gz LNDQTYYOVOCKPZ-TYPHKJRUSA-N 1 0 393.535 3.482 20 30 GGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C)c(C#N)n2)CC1 ZINC001165019369 721840676 /nfs/dbraw/zinc/84/06/76/721840676.db2.gz FACPOOSVRFECLM-UHFFFAOYSA-N 1 0 380.492 3.380 20 30 GGEDRO C=CC[NH+]1CCN(c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CC1 ZINC001165034197 721872117 /nfs/dbraw/zinc/87/21/17/721872117.db2.gz GWFIAVDTMJOWGW-UHFFFAOYSA-N 1 0 392.532 3.335 20 30 GGEDRO Cc1ccc2nc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c(C#N)c(Cl)c2c1 ZINC001164930611 721890937 /nfs/dbraw/zinc/89/09/37/721890937.db2.gz CDRRFVREVDMMBP-RTBURBONSA-N 1 0 383.927 3.283 20 30 GGEDRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001165045140 721939116 /nfs/dbraw/zinc/93/91/16/721939116.db2.gz VOLJOQAPRWYYFH-UHFFFAOYSA-N 1 0 397.779 3.343 20 30 GGEDRO N#Cc1ccc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164952957 722014738 /nfs/dbraw/zinc/01/47/38/722014738.db2.gz PPNXZYPYKQSVOA-UHFFFAOYSA-N 1 0 384.487 3.389 20 30 GGEDRO Cc1cc(C#N)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1C ZINC001164963802 722054807 /nfs/dbraw/zinc/05/48/07/722054807.db2.gz LMINRTHPYFPAID-UHFFFAOYSA-N 1 0 391.519 3.084 20 30 GGEDRO CC(C)c1ccc(C#N)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983908 722103510 /nfs/dbraw/zinc/10/35/10/722103510.db2.gz QYJWZCKFVCBVLP-IFMALSPDSA-N 1 0 391.519 3.199 20 30 GGEDRO N#Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccccc12 ZINC001164984994 722139404 /nfs/dbraw/zinc/13/94/04/722139404.db2.gz YRYKVFBCNKSDLT-XXBNENTESA-N 1 0 399.498 3.229 20 30 GGEDRO N#Cc1cc2c(nc1N1CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C1)CCOC2 ZINC001164996175 722211281 /nfs/dbraw/zinc/21/12/81/722211281.db2.gz MPVTUEMMMSOKLH-HSZRJFAPSA-N 1 0 392.478 3.410 20 30 GGEDRO N#Cc1cc2c(nc1N1CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C1)CCOC2 ZINC001164996176 722211418 /nfs/dbraw/zinc/21/14/18/722211418.db2.gz MPVTUEMMMSOKLH-QHCPKHFHSA-N 1 0 392.478 3.410 20 30 GGEDRO CCc1nc(C#N)c(C#N)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995005 722212038 /nfs/dbraw/zinc/21/20/38/722212038.db2.gz FGBXAMPKJJDYTD-JOCHJYFZSA-N 1 0 390.466 3.166 20 30 GGEDRO C=C(C)C[NH+]1CCC(Nc2ccc(Br)cc2-c2nn[nH]n2)CC1 ZINC000823878067 946498362 /nfs/dbraw/zinc/49/83/62/946498362.db2.gz NGSXNYRSWYRYGR-UHFFFAOYSA-N 1 0 377.290 3.082 20 30 GGEDRO C=CC[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccncc1 ZINC000823888756 946501890 /nfs/dbraw/zinc/50/18/90/946501890.db2.gz VMPYXDWKMIDWST-OAQYLSRUSA-N 1 0 389.507 3.133 20 30 GGEDRO C=CC[N@@H+](Cc1c(C)[nH]c(C(=O)OCC)c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573341111 947526557 /nfs/dbraw/zinc/52/65/57/947526557.db2.gz HLZLMVSLBVZWKU-UHFFFAOYSA-N 1 0 394.479 3.177 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000276598015 1126077986 /nfs/dbraw/zinc/07/79/86/1126077986.db2.gz BIFRHUZFDKTSCD-OAQYLSRUSA-N 1 0 378.451 3.296 20 30 GGEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1OC ZINC000873191111 1126118784 /nfs/dbraw/zinc/11/87/84/1126118784.db2.gz JEEDRXBGYFYZKO-AOMKIAJQSA-N 1 0 384.476 3.078 20 30 GGEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1OC ZINC000873191112 1126118789 /nfs/dbraw/zinc/11/87/89/1126118789.db2.gz JEEDRXBGYFYZKO-KSFYIVLOSA-N 1 0 384.476 3.078 20 30 GGEDRO Cn1cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC001461202701 1126193703 /nfs/dbraw/zinc/19/37/03/1126193703.db2.gz LDVMDEVKPGVCRB-HXUWFJFHSA-N 1 0 385.471 3.133 20 30 GGEDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001648162336 1126250375 /nfs/dbraw/zinc/25/03/75/1126250375.db2.gz VXDZPOBRHBRWDC-HXUWFJFHSA-N 1 0 376.403 3.252 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022789807 207261238 /nfs/dbraw/zinc/26/12/38/207261238.db2.gz PDKCPMRNHSNMEI-UHFFFAOYSA-N 1 0 388.515 3.079 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000026340978 207313014 /nfs/dbraw/zinc/31/30/14/207313014.db2.gz YMUURMNRPICOQK-SFHVURJKSA-N 1 0 376.460 3.238 20 30 GGEDRO N#Cc1ccc(CSCC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000095451289 208184754 /nfs/dbraw/zinc/18/47/54/208184754.db2.gz BUBFGHYRMLWANW-UHFFFAOYSA-N 1 0 395.528 3.387 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1c(F)cc(Br)cc1F ZINC000120589167 564327915 /nfs/dbraw/zinc/32/79/15/564327915.db2.gz OFVWXLDRKPREAO-UHFFFAOYSA-N 1 0 389.244 3.427 20 30 GGEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597965 564196648 /nfs/dbraw/zinc/19/66/48/564196648.db2.gz KMMGXPHWAHCJBB-ACJLOTCBSA-N 1 0 386.293 3.458 20 30 GGEDRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000115599117 564196733 /nfs/dbraw/zinc/19/67/33/564196733.db2.gz HBJCCLRJTHKVRF-KRWDZBQOSA-N 1 0 386.293 3.415 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+]CCCc2ccc(Br)cc2F)C(N)=O)cc1 ZINC000116394195 564209556 /nfs/dbraw/zinc/20/95/56/564209556.db2.gz QSWXYQHDJSLNDZ-QGZVFWFLSA-N 1 0 390.256 3.209 20 30 GGEDRO N#Cc1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c(Br)c1 ZINC000119777200 564287702 /nfs/dbraw/zinc/28/77/02/564287702.db2.gz KRFUZROGXGQWKM-UHFFFAOYSA-N 1 0 378.314 3.402 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000023410347 564324191 /nfs/dbraw/zinc/32/41/91/564324191.db2.gz XUKRKNINYBKRPS-GUYCJALGSA-N 1 0 375.266 3.411 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)s1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025230293 564336997 /nfs/dbraw/zinc/33/69/97/564336997.db2.gz IAUTVDLTACFCLX-AWEZNQCLSA-N 1 0 395.322 3.448 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000120895277 564342433 /nfs/dbraw/zinc/34/24/33/564342433.db2.gz NHLSRSSRTABMCB-UHFFFAOYSA-N 1 0 382.258 3.128 20 30 GGEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(Br)cc1 ZINC000026328333 564345349 /nfs/dbraw/zinc/34/53/49/564345349.db2.gz SRGPSQVQDNAAGS-KRWDZBQOSA-N 1 0 375.266 3.192 20 30 GGEDRO C=CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1Cl ZINC000122157370 564402280 /nfs/dbraw/zinc/40/22/80/564402280.db2.gz NDLNCUDIXLDZOU-UHFFFAOYSA-N 1 0 386.926 3.034 20 30 GGEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000124428331 564481481 /nfs/dbraw/zinc/48/14/81/564481481.db2.gz MWIDDSMESPOVFW-UHFFFAOYSA-N 1 0 381.929 3.287 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)s1 ZINC000047281178 564516927 /nfs/dbraw/zinc/51/69/27/564516927.db2.gz QGXHIJGAGIEGIP-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO COc1ccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cc1C#N ZINC000125564913 564518958 /nfs/dbraw/zinc/51/89/58/564518958.db2.gz NQODPCGWIOSGAB-QGZVFWFLSA-N 1 0 375.266 3.495 20 30 GGEDRO C[N@@H+]1CCN(CCCNc2snc(Cl)c2C#N)[C@H](c2ccccc2)C1 ZINC000051914704 564567046 /nfs/dbraw/zinc/56/70/46/564567046.db2.gz ZGFDSPYAUDHXFH-INIZCTEOSA-N 1 0 375.929 3.459 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(O)ccc3Br)CC2)nc1 ZINC000127003888 564570259 /nfs/dbraw/zinc/57/02/59/564570259.db2.gz YBESBAFRCMRMPH-UHFFFAOYSA-N 1 0 387.281 3.180 20 30 GGEDRO C=CC[N@@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1cccs1 ZINC000053781697 564594632 /nfs/dbraw/zinc/59/46/32/564594632.db2.gz HXENLFHFFLIRGX-UHFFFAOYSA-N 1 0 380.535 3.065 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000130738680 564690764 /nfs/dbraw/zinc/69/07/64/564690764.db2.gz MBGNBHJQNWNFEM-QGZVFWFLSA-N 1 0 378.314 3.472 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NCCSC)[n+]1cccc(C)c1 ZINC000131310911 564708688 /nfs/dbraw/zinc/70/86/88/564708688.db2.gz VFUKGKRARADIJT-UHFFFAOYSA-O 1 0 375.539 3.183 20 30 GGEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)ccc1Cl ZINC000063311275 564716954 /nfs/dbraw/zinc/71/69/54/564716954.db2.gz NXDWFIMGOFJRTR-UHFFFAOYSA-N 1 0 381.929 3.145 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000064957364 564737153 /nfs/dbraw/zinc/73/71/53/564737153.db2.gz INACXJVSFOQTEL-ZIAGYGMSSA-N 1 0 383.945 3.246 20 30 GGEDRO C[N@@H+](Cc1csc(Br)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000065513851 564744015 /nfs/dbraw/zinc/74/40/15/564744015.db2.gz NALDGSPHTXWPIT-HNNXBMFYSA-N 1 0 395.322 3.448 20 30 GGEDRO C=CCN(CC=C)C(=O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000065604338 564745634 /nfs/dbraw/zinc/74/56/34/564745634.db2.gz QMLVJNWEQZPIQR-UHFFFAOYSA-N 1 0 393.325 3.245 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)s1 ZINC000065975255 564753952 /nfs/dbraw/zinc/75/39/52/564753952.db2.gz PYALDNWINCCJJO-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000066921089 564778630 /nfs/dbraw/zinc/77/86/30/564778630.db2.gz NHTQQLUTSPAXQL-SFHVURJKSA-N 1 0 375.310 3.458 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000066921279 564778793 /nfs/dbraw/zinc/77/87/93/564778793.db2.gz SVWALDGMFCOUMT-GOSISDBHSA-N 1 0 375.310 3.458 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000066921088 564778825 /nfs/dbraw/zinc/77/88/25/564778825.db2.gz NHTQQLUTSPAXQL-GOSISDBHSA-N 1 0 375.310 3.458 20 30 GGEDRO Cc1ccc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccccc2)s1 ZINC000134137156 564794472 /nfs/dbraw/zinc/79/44/72/564794472.db2.gz VJHDZTRMFJSDIT-OAHLLOKOSA-O 1 0 375.539 3.442 20 30 GGEDRO Cc1ccc(O[C@@H](C)C(=O)N(CCC#N)CCC[NH+](C)C)c(Br)c1 ZINC000068225623 564811799 /nfs/dbraw/zinc/81/17/99/564811799.db2.gz SFWNRTUHJFJZEU-HNNXBMFYSA-N 1 0 396.329 3.219 20 30 GGEDRO N#CCCCCS(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000068917075 564829551 /nfs/dbraw/zinc/82/95/51/564829551.db2.gz RGALVFBYXJAAOA-UHFFFAOYSA-N 1 0 383.945 3.165 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@](C)(C(=O)OC)C2)cc1OC ZINC000093813784 564890563 /nfs/dbraw/zinc/89/05/63/564890563.db2.gz VERMTSLIXNGFPY-GOSISDBHSA-N 1 0 398.297 3.408 20 30 GGEDRO CC[NH+](CC)CCN(CC(=O)Nc1sccc1C#N)Cc1cccs1 ZINC000150862853 564894557 /nfs/dbraw/zinc/89/45/57/564894557.db2.gz KQRUQFQBNPKBOF-UHFFFAOYSA-N 1 0 376.551 3.464 20 30 GGEDRO Cn1cc(Br)cc1C[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000151467913 564921542 /nfs/dbraw/zinc/92/15/42/564921542.db2.gz ASISKTDIDXCDIE-UHFFFAOYSA-N 1 0 375.270 3.120 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+]CCc2cc(Cl)ccc2Br)C(N)=O)cc1 ZINC000152438827 564958740 /nfs/dbraw/zinc/95/87/40/564958740.db2.gz DIOSSWBCPGXWCV-MRXNPFEDSA-N 1 0 392.684 3.333 20 30 GGEDRO CCN(CCC#N)C(=O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152607927 564964831 /nfs/dbraw/zinc/96/48/31/564964831.db2.gz BUEBHRGSVZTTDQ-UHFFFAOYSA-N 1 0 378.314 3.175 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152612645 564965515 /nfs/dbraw/zinc/96/55/15/564965515.db2.gz WZEMPQANLDDYHJ-SFHVURJKSA-N 1 0 392.341 3.467 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(I)c2)CC1 ZINC000106039715 564977159 /nfs/dbraw/zinc/97/71/59/564977159.db2.gz DEKNMZIIBQBQEL-UHFFFAOYSA-N 1 0 384.261 3.062 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(C)c2I)CC1 ZINC000106036370 564977218 /nfs/dbraw/zinc/97/72/18/564977218.db2.gz PGWRSQYUGFNBQZ-UHFFFAOYSA-N 1 0 398.288 3.370 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(I)ccc2C)CC1 ZINC000152976262 564979768 /nfs/dbraw/zinc/97/97/68/564979768.db2.gz MQWYUSIDZJJFKC-UHFFFAOYSA-N 1 0 398.288 3.370 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000106349094 564981899 /nfs/dbraw/zinc/98/18/99/564981899.db2.gz ZZLGTJBBWAPFQR-UHFFFAOYSA-N 1 0 384.307 3.397 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2SC)CC1 ZINC000106348869 564982255 /nfs/dbraw/zinc/98/22/55/564982255.db2.gz JVNVLYKTZDZEAZ-UHFFFAOYSA-N 1 0 381.929 3.157 20 30 GGEDRO [NH2+]=C(NCc1ccc(O)c(Br)c1)N[C@H]1CCOc2ccccc21 ZINC000153465891 564996307 /nfs/dbraw/zinc/99/63/07/564996307.db2.gz OIPCEWSAFGVWFX-AWEZNQCLSA-N 1 0 376.254 3.083 20 30 GGEDRO CN(Cc1cc(Br)ccc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000108170797 565007901 /nfs/dbraw/zinc/00/79/01/565007901.db2.gz IZHVQDXDZNAVHS-MRXNPFEDSA-N 1 0 393.256 3.332 20 30 GGEDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1C#N ZINC000154123006 565026932 /nfs/dbraw/zinc/02/69/32/565026932.db2.gz CUJHLBZHWNQMGB-QGZVFWFLSA-N 1 0 375.266 3.192 20 30 GGEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000109818672 565031743 /nfs/dbraw/zinc/03/17/43/565031743.db2.gz OTULVIRJLWZWGW-GOSISDBHSA-N 1 0 378.314 3.168 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000111253032 565051836 /nfs/dbraw/zinc/05/18/36/565051836.db2.gz QFQYTBAOHAMMAA-CQSZACIVSA-N 1 0 380.330 3.368 20 30 GGEDRO C[N@H+](CCc1ccc(Br)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000112563180 565064405 /nfs/dbraw/zinc/06/44/05/565064405.db2.gz YFKNPDOZKRZGTQ-SFHVURJKSA-N 1 0 389.293 3.235 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000369204275 565080857 /nfs/dbraw/zinc/08/08/57/565080857.db2.gz OCDAWMSHAUXIRC-AZUAARDMSA-N 1 0 389.337 3.420 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000369595675 565101946 /nfs/dbraw/zinc/10/19/46/565101946.db2.gz FAWUPNFJBFFHAP-LJQANCHMSA-N 1 0 382.261 3.417 20 30 GGEDRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1Br ZINC000158517890 565172377 /nfs/dbraw/zinc/17/23/77/565172377.db2.gz DFDXJWPXKGWBFA-KRWDZBQOSA-N 1 0 386.293 3.415 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185642940 565213706 /nfs/dbraw/zinc/21/37/06/565213706.db2.gz NTNUDRKMCJTIKA-INIZCTEOSA-N 1 0 382.277 3.487 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185642924 565213821 /nfs/dbraw/zinc/21/38/21/565213821.db2.gz NTNUDRKMCJTIKA-MRXNPFEDSA-N 1 0 382.277 3.487 20 30 GGEDRO C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185726946 565218404 /nfs/dbraw/zinc/21/84/04/565218404.db2.gz MYJVOHUJNSYRDS-DZGCQCFKSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185727000 565218967 /nfs/dbraw/zinc/21/89/67/565218967.db2.gz MYJVOHUJNSYRDS-HIFRSBDPSA-N 1 0 381.929 3.143 20 30 GGEDRO C=C(C)COCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185858440 565224596 /nfs/dbraw/zinc/22/45/96/565224596.db2.gz FIEYXOLMEGPJJL-UHFFFAOYSA-N 1 0 378.108 3.476 20 30 GGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000185847631 565225350 /nfs/dbraw/zinc/22/53/50/565225350.db2.gz KLUOFOUWZZSQRJ-HOTGVXAUSA-N 1 0 381.567 3.137 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000295235371 565253947 /nfs/dbraw/zinc/25/39/47/565253947.db2.gz ZPJFZBYBTQJLCV-UHFFFAOYSA-N 1 0 376.298 3.458 20 30 GGEDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186392138 565259220 /nfs/dbraw/zinc/25/92/20/565259220.db2.gz GLAROSREVFZXOE-UHFFFAOYSA-N 1 0 377.897 3.142 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCSC3(CCOCC3)C2)cc1Cl ZINC000186850772 565290314 /nfs/dbraw/zinc/29/03/14/565290314.db2.gz IHQCIPRKBFCPCR-UHFFFAOYSA-N 1 0 379.913 3.138 20 30 GGEDRO CC(C)N1CC[NH+](C2CCN(c3ccc(Br)cc3C#N)CC2)CC1 ZINC000272802766 565297805 /nfs/dbraw/zinc/29/78/05/565297805.db2.gz DZJHNVOEYRHTJY-UHFFFAOYSA-N 1 0 391.357 3.316 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000272887857 565301264 /nfs/dbraw/zinc/30/12/64/565301264.db2.gz RYRKODSSELMDFR-ZDUSSCGKSA-N 1 0 376.341 3.176 20 30 GGEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1sccc1C#N ZINC000162524611 565319893 /nfs/dbraw/zinc/31/98/93/565319893.db2.gz HUCLDBLFHIISOC-KRWDZBQOSA-N 1 0 378.885 3.444 20 30 GGEDRO CS[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1[NH+](C)C ZINC000273755899 565334470 /nfs/dbraw/zinc/33/44/70/565334470.db2.gz UKQOWHOKBWITDU-UKPHBRMFSA-N 1 0 378.567 3.448 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000163960155 565353597 /nfs/dbraw/zinc/35/35/97/565353597.db2.gz ZLQPKXQHKNHRTP-UHFFFAOYSA-N 1 0 384.307 3.397 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297082841 565354785 /nfs/dbraw/zinc/35/47/85/565354785.db2.gz PCMUDFULSZWQEU-CYBMUJFWSA-N 1 0 376.448 3.395 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cncc(Br)c3)C2=O)cc1 ZINC000274265017 565365351 /nfs/dbraw/zinc/36/53/51/565365351.db2.gz OUHFSHIGLZHVDS-KRWDZBQOSA-N 1 0 385.265 3.001 20 30 GGEDRO C=CCn1c(SCCN2CCO[C@H](C)C2)nc2cc(Cl)ccc2c1=O ZINC000188188177 565385418 /nfs/dbraw/zinc/38/54/18/565385418.db2.gz MWRZWWDKGSMHRH-CYBMUJFWSA-N 1 0 379.913 3.049 20 30 GGEDRO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000298463002 565415369 /nfs/dbraw/zinc/41/53/69/565415369.db2.gz RSAYIPGWQKXXAT-QZTJIDSGSA-N 1 0 375.266 3.020 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](c1ccccc1)[NH+](C)C ZINC000189035823 565439126 /nfs/dbraw/zinc/43/91/26/565439126.db2.gz SAWCSXSXVNVEFE-ACJLOTCBSA-N 1 0 377.897 3.181 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000376508478 565439739 /nfs/dbraw/zinc/43/97/39/565439739.db2.gz UWSHPAROAXVDCW-KBXCAEBGSA-N 1 0 388.309 3.296 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(Br)c2COC)CC1 ZINC000171639362 565440420 /nfs/dbraw/zinc/44/04/20/565440420.db2.gz VIXYRAWQBPHWOS-UHFFFAOYSA-N 1 0 382.302 3.367 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000171725737 565446709 /nfs/dbraw/zinc/44/67/09/565446709.db2.gz KKPNSXPAENYLFI-UHFFFAOYSA-N 1 0 384.293 3.080 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000171733421 565447129 /nfs/dbraw/zinc/44/71/29/565447129.db2.gz RGQUISFUKWDKFH-KRWDZBQOSA-N 1 0 378.314 3.386 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(I)cc2)CC1 ZINC000171737332 565448129 /nfs/dbraw/zinc/44/81/29/565448129.db2.gz YWOAOAYTOZKFCG-UHFFFAOYSA-N 1 0 385.249 3.063 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(I)cc2C)CC1 ZINC000171741343 565448488 /nfs/dbraw/zinc/44/84/88/565448488.db2.gz PVIIBEILMQYZIR-UHFFFAOYSA-N 1 0 399.276 3.372 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2I)CC1 ZINC000171741304 565448522 /nfs/dbraw/zinc/44/85/22/565448522.db2.gz XCAOMZSFKRFKQF-UHFFFAOYSA-N 1 0 385.249 3.063 20 30 GGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000172395268 565483928 /nfs/dbraw/zinc/48/39/28/565483928.db2.gz BYTDQHNTYZYQOK-CQSZACIVSA-N 1 0 375.519 3.124 20 30 GGEDRO CC(C)Sc1cccc(Cl)c1C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000189841353 565491877 /nfs/dbraw/zinc/49/18/77/565491877.db2.gz MMMRLEWFGQBLSF-ZCXUNETKSA-N 1 0 379.913 3.457 20 30 GGEDRO [NH2+]=C(NCCOCC(F)(F)C(F)F)Nc1ccc(OC(F)(F)F)cc1 ZINC000277557394 565506408 /nfs/dbraw/zinc/50/64/08/565506408.db2.gz RFSDCEGOLZSJRJ-UHFFFAOYSA-N 1 0 377.260 3.229 20 30 GGEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ncc(Br)s1 ZINC000378274122 565518626 /nfs/dbraw/zinc/51/86/26/565518626.db2.gz SGGCLCJRDFOBDU-NSHDSACASA-N 1 0 392.326 3.492 20 30 GGEDRO COc1cc(C#N)ccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000378357872 565524326 /nfs/dbraw/zinc/52/43/26/565524326.db2.gz CALVUNMAWOFMNZ-UHFFFAOYSA-N 1 0 375.270 3.363 20 30 GGEDRO N#Cc1cc(Br)ccc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000302058266 565528367 /nfs/dbraw/zinc/52/83/67/565528367.db2.gz BMFYMXOVRVFBJN-SFHVURJKSA-N 1 0 386.293 3.499 20 30 GGEDRO C[N@H+](CCCNS(=O)(=O)c1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000384531374 565545080 /nfs/dbraw/zinc/54/50/80/565545080.db2.gz JNMCEPPDHUYFER-UHFFFAOYSA-N 1 0 377.897 3.012 20 30 GGEDRO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)[N@H+](C)Cc1ccccc1 ZINC000390750171 565557560 /nfs/dbraw/zinc/55/75/60/565557560.db2.gz COANLTFDKZPGNR-AWEZNQCLSA-N 1 0 377.897 3.010 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(C#N)cc1Br ZINC000278631430 565569201 /nfs/dbraw/zinc/56/92/01/565569201.db2.gz KXVMVVFSDOTDFF-CQSZACIVSA-N 1 0 378.314 3.006 20 30 GGEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000278704650 565573101 /nfs/dbraw/zinc/57/31/01/565573101.db2.gz UBAOFUGNOHGGFA-DOMZBBRYSA-N 1 0 377.286 3.187 20 30 GGEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000278706693 565574431 /nfs/dbraw/zinc/57/44/31/565574431.db2.gz UBAOFUGNOHGGFA-IUODEOHRSA-N 1 0 377.286 3.187 20 30 GGEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348399 565597942 /nfs/dbraw/zinc/59/79/42/565597942.db2.gz AHRQABYMZGVSCK-OAHLLOKOSA-N 1 0 386.330 3.358 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000408311023 565602597 /nfs/dbraw/zinc/60/25/97/565602597.db2.gz VZSZGFJJMIPDIU-LZWOXQAQSA-N 1 0 381.929 3.238 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000408311018 565602971 /nfs/dbraw/zinc/60/29/71/565602971.db2.gz VZSZGFJJMIPDIU-IIAWOOMASA-N 1 0 381.929 3.238 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(Br)cc1 ZINC000320981443 565604320 /nfs/dbraw/zinc/60/43/20/565604320.db2.gz BINSPPWPYOBGAF-CXAGYDPISA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccc(Br)cc1 ZINC000320981451 565604629 /nfs/dbraw/zinc/60/46/29/565604629.db2.gz BINSPPWPYOBGAF-SUMWQHHRSA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408430386 565609852 /nfs/dbraw/zinc/60/98/52/565609852.db2.gz STTQIIPJMQRIDF-ZNMIVQPWSA-N 1 0 381.929 3.238 20 30 GGEDRO CC(C)[C@H](CNc1cc(Br)c(C#N)cc1F)[NH+]1CCN(C)CC1 ZINC000323454092 565613557 /nfs/dbraw/zinc/61/35/57/565613557.db2.gz BIAWPWZBBXLTGJ-KRWDZBQOSA-N 1 0 383.309 3.144 20 30 GGEDRO CC(C)[C@@H](CNc1cc(Br)c(C#N)cc1F)[NH+]1CCN(C)CC1 ZINC000323454094 565613853 /nfs/dbraw/zinc/61/38/53/565613853.db2.gz BIAWPWZBBXLTGJ-QGZVFWFLSA-N 1 0 383.309 3.144 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000191776259 565630467 /nfs/dbraw/zinc/63/04/67/565630467.db2.gz RJRHHULNWZMMPP-HNNXBMFYSA-N 1 0 376.298 3.059 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000191776279 565630489 /nfs/dbraw/zinc/63/04/89/565630489.db2.gz RJRHHULNWZMMPP-OAHLLOKOSA-N 1 0 376.298 3.059 20 30 GGEDRO Cn1c(SCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nnc1-c1cccs1 ZINC000328747331 565641029 /nfs/dbraw/zinc/64/10/29/565641029.db2.gz LRHYCAHNDVFEDQ-CHWSQXEVSA-N 1 0 377.539 3.219 20 30 GGEDRO Cc1cc(NC(=O)CNC(=O)C23CCC[NH+]2CCC3)ccc1Br ZINC000328797135 565642048 /nfs/dbraw/zinc/64/20/48/565642048.db2.gz VMRGAJQKJORHPN-UHFFFAOYSA-N 1 0 380.286 3.281 20 30 GGEDRO N#CCCN(C[C@@H](O)COc1ccc(Cl)cc1Br)CC1CC1 ZINC000174698944 565652102 /nfs/dbraw/zinc/65/21/02/565652102.db2.gz SAMHVHJKTUSKNP-CQSZACIVSA-N 1 0 387.705 3.468 20 30 GGEDRO Cc1noc([C@@H]2CCN(CC(=O)Nc3ccc(Br)cc3F)C2)n1 ZINC000329067345 565652459 /nfs/dbraw/zinc/65/24/59/565652459.db2.gz WXWNYDQBJUNOND-SNVBAGLBSA-N 1 0 383.221 3.357 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)c(Cl)cc2OC)CC1 ZINC000192070523 565655634 /nfs/dbraw/zinc/65/56/34/565655634.db2.gz BTJJCFHCDAHRLQ-UHFFFAOYSA-N 1 0 387.705 3.491 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@@H+]1C ZINC000329329493 565663534 /nfs/dbraw/zinc/66/35/34/565663534.db2.gz LBKDTSVGUAJPLM-ZJUUUORDSA-N 1 0 382.258 3.217 20 30 GGEDRO Cc1nc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)s1 ZINC000329382276 565664341 /nfs/dbraw/zinc/66/43/41/565664341.db2.gz OCBSLNUWOOCDCS-NSHDSACASA-N 1 0 388.331 3.020 20 30 GGEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C([O-])=[NH+]c2nc3ccsc3s2)C[C@@H](C)O1 ZINC000329408247 565665534 /nfs/dbraw/zinc/66/55/34/565665534.db2.gz DCOGVEAATXFAIC-UPJWGTAASA-N 1 0 380.539 3.477 20 30 GGEDRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000329428456 565666310 /nfs/dbraw/zinc/66/63/10/565666310.db2.gz JOLOVGJNELENJY-GFCCVEGCSA-N 1 0 384.307 3.383 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc3sc(N4CCCC4)nc3s2)CC1 ZINC000280430792 565672060 /nfs/dbraw/zinc/67/20/60/565672060.db2.gz DNLWIQUCZLNQAY-UHFFFAOYSA-N 1 0 376.551 3.338 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(Br)c3)C2=O)cc1 ZINC000192241784 565672344 /nfs/dbraw/zinc/67/23/44/565672344.db2.gz KJWQFZXSPBTOSU-SFHVURJKSA-N 1 0 384.277 3.211 20 30 GGEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000329633980 565673801 /nfs/dbraw/zinc/67/38/01/565673801.db2.gz STTFXVZBWBOEAR-ZDUSSCGKSA-N 1 0 396.329 3.120 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Br)cs3)C2=O)cc1 ZINC000192244986 565674304 /nfs/dbraw/zinc/67/43/04/565674304.db2.gz JKOOLKPISVIMSK-MRXNPFEDSA-N 1 0 390.306 3.273 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C[N@@H+]1C1CC1 ZINC000329731563 565678352 /nfs/dbraw/zinc/67/83/52/565678352.db2.gz IHEPPDDYFKQNQB-ABAIWWIYSA-N 1 0 394.313 3.013 20 30 GGEDRO [O-]C(=[NH+][C@H]1C[C@H](c2ccc(Br)cc2)C1)N1CCn2ccnc2C1 ZINC000329820085 565682535 /nfs/dbraw/zinc/68/25/35/565682535.db2.gz PHLLHIKUKRLSAQ-CTYIDZIISA-N 1 0 375.270 3.321 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280807709 565696746 /nfs/dbraw/zinc/69/67/46/565696746.db2.gz LQGHQCAHRCMTKB-HFTRVMKXSA-N 1 0 386.945 3.270 20 30 GGEDRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330203600 565696916 /nfs/dbraw/zinc/69/69/16/565696916.db2.gz AYGLWGMVLUNGJA-CQSZACIVSA-N 1 0 381.270 3.304 20 30 GGEDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000175406424 565697623 /nfs/dbraw/zinc/69/76/23/565697623.db2.gz AHNKLZCKMHFMGT-ZJWNCGCPSA-N 1 0 375.519 3.379 20 30 GGEDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000175406400 565697735 /nfs/dbraw/zinc/69/77/35/565697735.db2.gz AHNKLZCKMHFMGT-SHZVTRLKSA-N 1 0 375.519 3.379 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000175418953 565698621 /nfs/dbraw/zinc/69/86/21/565698621.db2.gz LTVAWGMCBJHIQY-UHFFFAOYSA-N 1 0 381.929 3.287 20 30 GGEDRO COc1cc(OC)c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000330264677 565699531 /nfs/dbraw/zinc/69/95/31/565699531.db2.gz YFHHUHZPVXMCSL-OCCSQVGLSA-N 1 0 398.301 3.419 20 30 GGEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000330256755 565699837 /nfs/dbraw/zinc/69/98/37/565699837.db2.gz KXERKIWTLGJXJR-OCCSQVGLSA-N 1 0 385.961 3.470 20 30 GGEDRO CCN1CCN(C(=O)Nc2ccc(C)c(Br)c2)C[C@H]1c1ncc[nH]1 ZINC000330326658 565701940 /nfs/dbraw/zinc/70/19/40/565701940.db2.gz KGDPKFCWDDPCMU-HNNXBMFYSA-N 1 0 392.301 3.405 20 30 GGEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)[C@H](C)C1 ZINC000330555474 565711887 /nfs/dbraw/zinc/71/18/87/565711887.db2.gz GXDLQLBRHFUBAD-GHMZBOCLSA-N 1 0 390.709 3.035 20 30 GGEDRO COc1cc(Br)cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000330566116 565712607 /nfs/dbraw/zinc/71/26/07/565712607.db2.gz LZTWQKSRCDWSQW-HNNXBMFYSA-N 1 0 388.331 3.221 20 30 GGEDRO N#CC1(CC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)CCCCC1 ZINC000411135705 565714320 /nfs/dbraw/zinc/71/43/20/565714320.db2.gz IGWYIOMTGOIDIA-UHFFFAOYSA-N 1 0 381.567 3.355 20 30 GGEDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Br)ccc1Cl ZINC000330605751 565714747 /nfs/dbraw/zinc/71/47/47/565714747.db2.gz JZBHAXRLLNQZSF-LBPRGKRZSA-N 1 0 375.694 3.254 20 30 GGEDRO C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](c1ccccc1)[NH+](C)C ZINC000192863391 565715139 /nfs/dbraw/zinc/71/51/39/565715139.db2.gz KQXNBUXHOKKFCS-UGSOOPFHSA-N 1 0 377.897 3.181 20 30 GGEDRO Cc1nc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000330648979 565716996 /nfs/dbraw/zinc/71/69/96/565716996.db2.gz OAEPZWRIUNCUPE-UWVGGRQHSA-N 1 0 376.320 3.018 20 30 GGEDRO Cc1nc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000330648978 565717237 /nfs/dbraw/zinc/71/72/37/565717237.db2.gz OAEPZWRIUNCUPE-AOOOYVTPSA-N 1 0 376.320 3.018 20 30 GGEDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000330677076 565717740 /nfs/dbraw/zinc/71/77/40/565717740.db2.gz UTEIJOPXUNCIPX-UHFFFAOYSA-N 1 0 387.311 3.262 20 30 GGEDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000330678207 565718273 /nfs/dbraw/zinc/71/82/73/565718273.db2.gz WDIDRDHSACPSEE-UHFFFAOYSA-N 1 0 387.311 3.262 20 30 GGEDRO COc1ccc(Br)c(CNC(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000330720448 565720510 /nfs/dbraw/zinc/72/05/10/565720510.db2.gz FDOSZUOTTYOSBS-UHFFFAOYSA-N 1 0 384.318 3.334 20 30 GGEDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cccc(Br)c1Cl ZINC000330793709 565724032 /nfs/dbraw/zinc/72/40/32/565724032.db2.gz FGJRVFPLJBPLBP-NSHDSACASA-N 1 0 375.694 3.254 20 30 GGEDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Cl)cc(F)c1Br ZINC000330830902 565724902 /nfs/dbraw/zinc/72/49/02/565724902.db2.gz GWHOAWGSWISLIM-NSHDSACASA-N 1 0 393.684 3.393 20 30 GGEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(I)c(O)c2)C1 ZINC000330879450 565727827 /nfs/dbraw/zinc/72/78/27/565727827.db2.gz XYUQKDQPGNRVHR-VXGBXAGGSA-N 1 0 388.249 3.174 20 30 GGEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H]1C ZINC000330957540 565732796 /nfs/dbraw/zinc/73/27/96/565732796.db2.gz CSAUATQLRCOYDP-JSGCOSHPSA-N 1 0 387.933 3.094 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)NCC2(O)CC[NH+](C)CC2)cc1Cl ZINC000330978940 565733532 /nfs/dbraw/zinc/73/35/32/565733532.db2.gz IPPNWYVUQIEIEV-UHFFFAOYSA-N 1 0 376.284 3.175 20 30 GGEDRO Cc1csc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1Br ZINC000331110027 565738923 /nfs/dbraw/zinc/73/89/23/565738923.db2.gz BKEBIJFSIUIYAT-GFCCVEGCSA-N 1 0 375.332 3.216 20 30 GGEDRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1C ZINC000331098813 565739048 /nfs/dbraw/zinc/73/90/48/565739048.db2.gz DWNWVCHPAAXRHI-NWDGAFQWSA-N 1 0 398.301 3.114 20 30 GGEDRO COC(=O)c1c(Br)ccc(NC(=O)N2CCC([NH+](C)C)CC2)c1C ZINC000331123474 565739935 /nfs/dbraw/zinc/73/99/35/565739935.db2.gz QGALHGJVBOJEHP-UHFFFAOYSA-N 1 0 398.301 3.116 20 30 GGEDRO COc1ccc(Br)c(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000331114075 565740205 /nfs/dbraw/zinc/74/02/05/565740205.db2.gz CVXOJOAATBHXGA-ZIAGYGMSSA-N 1 0 384.318 3.334 20 30 GGEDRO C=CC[N@@H+](C)CCN(CC)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000411637678 565740951 /nfs/dbraw/zinc/74/09/51/565740951.db2.gz GDOQAYVJRREXSP-UHFFFAOYSA-N 1 0 393.329 3.363 20 30 GGEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000331162137 565743239 /nfs/dbraw/zinc/74/32/39/565743239.db2.gz LJHPRIGMQDIHKR-SNVBAGLBSA-N 1 0 378.275 3.455 20 30 GGEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)[C@H](C)C1 ZINC000331183493 565744575 /nfs/dbraw/zinc/74/45/75/565744575.db2.gz NPOJHYULXIHKTH-GHMZBOCLSA-N 1 0 390.709 3.035 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)NC(=O)NC(C)(C)C ZINC000331214585 565747272 /nfs/dbraw/zinc/74/72/72/565747272.db2.gz BQYAQRJFHXAPLR-IUCAKERBSA-N 1 0 376.320 3.378 20 30 GGEDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(Br)c(Cl)c1 ZINC000331360592 565756216 /nfs/dbraw/zinc/75/62/16/565756216.db2.gz XZSZTEILVMQOHP-LBPRGKRZSA-N 1 0 375.694 3.254 20 30 GGEDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(Br)c(Cl)c1 ZINC000331360591 565756589 /nfs/dbraw/zinc/75/65/89/565756589.db2.gz XZSZTEILVMQOHP-GFCCVEGCSA-N 1 0 375.694 3.254 20 30 GGEDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(Cl)cc1Br ZINC000331357499 565756716 /nfs/dbraw/zinc/75/67/16/565756716.db2.gz UABOHYFEWSDYHQ-LBPRGKRZSA-N 1 0 375.694 3.254 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CC2([S@](C)=O)CC2)cc1OC ZINC000282201346 565768964 /nfs/dbraw/zinc/76/89/64/565768964.db2.gz CRVVPFRWPIGNAF-QFIPXVFZSA-N 1 0 388.327 3.023 20 30 GGEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282482982 565781290 /nfs/dbraw/zinc/78/12/90/565781290.db2.gz HEMMJJIXUNLPSY-SFHVURJKSA-N 1 0 375.881 3.203 20 30 GGEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000331903922 565791837 /nfs/dbraw/zinc/79/18/37/565791837.db2.gz HENWKVGHIMOPQP-MLGOLLRUSA-N 1 0 377.286 3.411 20 30 GGEDRO CC1(NC(=S)C(C(=O)c2cccc(Cl)c2)[n+]2cccc(CO)c2)CC1 ZINC000284083346 565840908 /nfs/dbraw/zinc/84/09/08/565840908.db2.gz KNNBMPISKVPRJF-UHFFFAOYSA-O 1 0 375.901 3.201 20 30 GGEDRO N#Cc1csc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000177681612 565866799 /nfs/dbraw/zinc/86/67/99/565866799.db2.gz XSCWIJHUUPYXRY-UHFFFAOYSA-N 1 0 375.519 3.084 20 30 GGEDRO COCC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000284778010 565870500 /nfs/dbraw/zinc/87/05/00/565870500.db2.gz NDFSXRYGJVKGNZ-SJLPKXTDSA-N 1 0 384.307 3.469 20 30 GGEDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCSCc1ccccc1C#N ZINC000177822055 565874922 /nfs/dbraw/zinc/87/49/22/565874922.db2.gz TTWSCLAONIGXCX-ZDUSSCGKSA-N 1 0 379.327 3.429 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000177858201 565877948 /nfs/dbraw/zinc/87/79/48/565877948.db2.gz NEVXSZORTZFRCQ-HNNXBMFYSA-N 1 0 386.945 3.283 20 30 GGEDRO C=CCN1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000177912235 565880444 /nfs/dbraw/zinc/88/04/44/565880444.db2.gz YABBQDRWLBLXPL-CQSZACIVSA-N 1 0 380.330 3.406 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)CCCCC1 ZINC000285013123 565882901 /nfs/dbraw/zinc/88/29/01/565882901.db2.gz ZHKBEWYKMXXFCY-QGZVFWFLSA-N 1 0 391.313 3.227 20 30 GGEDRO Cc1nsc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1C#N ZINC000333692873 565892542 /nfs/dbraw/zinc/89/25/42/565892542.db2.gz CFLUIDZPLQGZNB-UHFFFAOYSA-N 1 0 379.555 3.196 20 30 GGEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178527351 565925053 /nfs/dbraw/zinc/92/50/53/565925053.db2.gz NGXNUXIQPPSGFQ-UHFFFAOYSA-N 1 0 381.929 3.145 20 30 GGEDRO Cn1cc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)cc1C#N ZINC000414589651 565951348 /nfs/dbraw/zinc/95/13/48/565951348.db2.gz PNZVBXWYIWPTMI-UHFFFAOYSA-N 1 0 387.325 3.413 20 30 GGEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)CCCCCC[NH3+])nc1C ZINC000237581555 565963838 /nfs/dbraw/zinc/96/38/38/565963838.db2.gz JWOGFAVZEVQDOI-UHFFFAOYSA-N 1 0 380.543 3.032 20 30 GGEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2ccc(C#N)cc2Br)C[C@@H](C)O1 ZINC000245562465 565996238 /nfs/dbraw/zinc/99/62/38/565996238.db2.gz XVQBCHCDOXDXRT-IIDMSEBBSA-N 1 0 392.341 3.394 20 30 GGEDRO Cc1nccn1CCCCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287291141 566009358 /nfs/dbraw/zinc/00/93/58/566009358.db2.gz SCUAYXPWYRRRKR-UHFFFAOYSA-N 1 0 376.258 3.428 20 30 GGEDRO N#Cc1ccc(Cl)cc1NC(=O)CN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245907976 566010492 /nfs/dbraw/zinc/01/04/92/566010492.db2.gz QYIYVORSKGHGOV-HOTGVXAUSA-N 1 0 379.913 3.137 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415800346 566020043 /nfs/dbraw/zinc/02/00/43/566020043.db2.gz DSAITOLDCFVQTM-CHWSQXEVSA-N 1 0 382.302 3.463 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415800348 566020094 /nfs/dbraw/zinc/02/00/94/566020094.db2.gz DSAITOLDCFVQTM-QWHCGFSZSA-N 1 0 382.302 3.463 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415811783 566020157 /nfs/dbraw/zinc/02/01/57/566020157.db2.gz ZEZRNOOTILBNPL-JTQLQIEISA-N 1 0 378.217 3.118 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415802496 566020271 /nfs/dbraw/zinc/02/02/71/566020271.db2.gz ICLCSJDCSIZPBZ-QGZVFWFLSA-N 1 0 380.286 3.231 20 30 GGEDRO C[C@](Cc1cccc(Br)c1)([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000179962051 566021738 /nfs/dbraw/zinc/02/17/38/566021738.db2.gz NSOXTAUXBPDONJ-LJQANCHMSA-N 1 0 386.293 3.136 20 30 GGEDRO [NH3+]CC[C@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000416004153 566024942 /nfs/dbraw/zinc/02/49/42/566024942.db2.gz HZGNIAVFONFXQH-QWRGUYRKSA-N 1 0 375.288 3.398 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CC(C)(C)C(=O)OC)cc1OC ZINC000180039309 566026573 /nfs/dbraw/zinc/02/65/73/566026573.db2.gz NHSKKPZBVIVTDY-UHFFFAOYSA-N 1 0 386.286 3.311 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000287617450 566030287 /nfs/dbraw/zinc/03/02/87/566030287.db2.gz HSPXQKPOQROACB-UHFFFAOYSA-N 1 0 390.285 3.164 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000287677468 566033698 /nfs/dbraw/zinc/03/36/98/566033698.db2.gz LKWKVHUSCOMFNF-KRWDZBQOSA-N 1 0 386.323 3.367 20 30 GGEDRO N#Cc1cccc(OCC[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000364528496 566056459 /nfs/dbraw/zinc/05/64/59/566056459.db2.gz HUGLDTAKECUETA-UHFFFAOYSA-N 1 0 375.270 3.233 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000180394421 566060179 /nfs/dbraw/zinc/06/01/79/566060179.db2.gz VHCFFPDGNNAAMD-UHFFFAOYSA-N 1 0 384.318 3.016 20 30 GGEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180539336 566071345 /nfs/dbraw/zinc/07/13/45/566071345.db2.gz PWPWYHXWSUXUIT-OAHLLOKOSA-N 1 0 376.909 3.293 20 30 GGEDRO C[C@H](C#N)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000416482794 566073843 /nfs/dbraw/zinc/07/38/43/566073843.db2.gz ZVXWEMQIBLGNGL-KPVZCZOYSA-N 1 0 381.929 3.085 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(C#N)ccc1Br ZINC000365193259 566088839 /nfs/dbraw/zinc/08/88/39/566088839.db2.gz ZTENBLVKYZYIGJ-BPQIPLTHSA-N 1 0 378.314 3.004 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCNC(=O)C(C)C)cc1OC ZINC000180838382 566093032 /nfs/dbraw/zinc/09/30/32/566093032.db2.gz HOFHAFMNBCZZPK-UHFFFAOYSA-N 1 0 399.329 3.227 20 30 GGEDRO C[C@H]1C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2cccc(Br)c21 ZINC000180866868 566095460 /nfs/dbraw/zinc/09/54/60/566095460.db2.gz ZPVQEZMOFAESRQ-FCXKHPDRSA-N 1 0 390.281 3.113 20 30 GGEDRO C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2cccc(Br)c21 ZINC000180866854 566095573 /nfs/dbraw/zinc/09/55/73/566095573.db2.gz ZPVQEZMOFAESRQ-UOXMJMQQSA-N 1 0 390.281 3.113 20 30 GGEDRO C=C(C)C[N@@H+](C)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000181044423 566108038 /nfs/dbraw/zinc/10/80/38/566108038.db2.gz FIKKAEFTNDVZMJ-UHFFFAOYSA-N 1 0 399.329 3.323 20 30 GGEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181041436 566108149 /nfs/dbraw/zinc/10/81/49/566108149.db2.gz AVEBLNOOUMCXLM-MRXNPFEDSA-N 1 0 378.314 3.449 20 30 GGEDRO C#CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365694996 566114964 /nfs/dbraw/zinc/11/49/64/566114964.db2.gz HBPYTOPMXATUDV-KRWDZBQOSA-N 1 0 391.309 3.076 20 30 GGEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000181436841 566141092 /nfs/dbraw/zinc/14/10/92/566141092.db2.gz ACLFYCYZRGWFQI-SFHVURJKSA-N 1 0 378.314 3.058 20 30 GGEDRO CC(C)OCCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181441125 566141180 /nfs/dbraw/zinc/14/11/80/566141180.db2.gz USNDSGQLMRYHRC-GOSISDBHSA-N 1 0 380.330 3.446 20 30 GGEDRO C[N@@H+]1CCC[C@@H]1CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181441560 566141193 /nfs/dbraw/zinc/14/11/93/566141193.db2.gz MXJWNDOYVKGZKV-MOPGFXCFSA-N 1 0 391.357 3.116 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cncn2C)cc1OCC ZINC000289886305 566144986 /nfs/dbraw/zinc/14/49/86/566144986.db2.gz QCEBQJMIVPSGHK-UHFFFAOYSA-N 1 0 380.286 3.436 20 30 GGEDRO Cc1nnc2n1C[C@@H](CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl)CC2 ZINC000262553064 566154387 /nfs/dbraw/zinc/15/43/87/566154387.db2.gz ZNUPYCBCECRNAT-CMPLNLGQSA-N 1 0 381.311 3.121 20 30 GGEDRO C[C@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCCC1)c1cccs1 ZINC000262690462 566157767 /nfs/dbraw/zinc/15/77/67/566157767.db2.gz AAIMKPPKFWAOKD-LSDHHAIUSA-N 1 0 383.583 3.112 20 30 GGEDRO C[C@@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCCC1)c1cccs1 ZINC000262690443 566157855 /nfs/dbraw/zinc/15/78/55/566157855.db2.gz AAIMKPPKFWAOKD-HUUCEWRRSA-N 1 0 383.583 3.112 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000182022930 566177916 /nfs/dbraw/zinc/17/79/16/566177916.db2.gz NQWIIQOKQWCCCF-CZUORRHYSA-N 1 0 375.266 3.411 20 30 GGEDRO CC(C)N1CC[NH+](C2CCN(c3cccc(Br)c3C#N)CC2)CC1 ZINC000290900968 566194537 /nfs/dbraw/zinc/19/45/37/566194537.db2.gz FCSDRWOJYBVJJU-UHFFFAOYSA-N 1 0 391.357 3.316 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCc2cc(Br)cs2)cc1OC ZINC000264132030 566206657 /nfs/dbraw/zinc/20/66/57/566206657.db2.gz YGGOFEFUMHBOKE-UHFFFAOYSA-N 1 0 384.299 3.132 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000264384153 566214031 /nfs/dbraw/zinc/21/40/31/566214031.db2.gz MGERHGCZRMHNRP-UHFFFAOYSA-N 1 0 396.329 3.297 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCc2cccc(Br)c2)CC1 ZINC000291337281 566215414 /nfs/dbraw/zinc/21/54/14/566215414.db2.gz WHPRWZJXBVVIBG-UHFFFAOYSA-N 1 0 380.330 3.283 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418547676 566216436 /nfs/dbraw/zinc/21/64/36/566216436.db2.gz JMFLVYNRHYILRD-OAHLLOKOSA-N 1 0 384.293 3.428 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418603788 566217681 /nfs/dbraw/zinc/21/76/81/566217681.db2.gz OFLAJNSDLHOAAG-DOMZBBRYSA-N 1 0 384.293 3.426 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182645562 566218213 /nfs/dbraw/zinc/21/82/13/566218213.db2.gz OFVDWFGFNFQBAR-UHFFFAOYSA-N 1 0 383.901 3.497 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418793385 566223968 /nfs/dbraw/zinc/22/39/68/566223968.db2.gz PZICMTPBUUNYPM-IUODEOHRSA-N 1 0 384.293 3.413 20 30 GGEDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000367966399 566225327 /nfs/dbraw/zinc/22/53/27/566225327.db2.gz ZDEYVSVIBNNNPN-FUHWJXTLSA-N 1 0 389.297 3.142 20 30 GGEDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000367966398 566225673 /nfs/dbraw/zinc/22/56/73/566225673.db2.gz ZDEYVSVIBNNNPN-AEFFLSMTSA-N 1 0 389.297 3.142 20 30 GGEDRO N#CCCCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000291714981 566231565 /nfs/dbraw/zinc/23/15/65/566231565.db2.gz PAZAVEQMGJPICR-UHFFFAOYSA-N 1 0 394.313 3.102 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183016637 566234823 /nfs/dbraw/zinc/23/48/23/566234823.db2.gz GYLSXKGYDIHXNJ-KGLIPLIRSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183024619 566235030 /nfs/dbraw/zinc/23/50/30/566235030.db2.gz GGBAUDXVXQNUJA-HIFRSBDPSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000481745263 566250695 /nfs/dbraw/zinc/25/06/95/566250695.db2.gz RXFUXHZZNZGFLJ-QZTJIDSGSA-N 1 0 394.288 3.437 20 30 GGEDRO C[C@@H]([NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N(C)CCC#N ZINC000481755408 566250713 /nfs/dbraw/zinc/25/07/13/566250713.db2.gz ZJPRUURKFRRRJQ-BZNIZROVSA-N 1 0 382.277 3.389 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481745933 566250953 /nfs/dbraw/zinc/25/09/53/566250953.db2.gz DUWHYRKRQCCUBJ-KRWDZBQOSA-N 1 0 382.277 3.391 20 30 GGEDRO C[C@H]([NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N(C)CCC#N ZINC000481755409 566251006 /nfs/dbraw/zinc/25/10/06/566251006.db2.gz ZJPRUURKFRRRJQ-MEDUHNTESA-N 1 0 382.277 3.389 20 30 GGEDRO N#Cc1c(Br)cccc1OCC(=O)NCCC[NH2+]C1CCCCC1 ZINC000419894258 566251470 /nfs/dbraw/zinc/25/14/70/566251470.db2.gz NLNPKXGRLYTSIW-UHFFFAOYSA-N 1 0 394.313 3.128 20 30 GGEDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)ccc1Br ZINC000575117577 566252147 /nfs/dbraw/zinc/25/21/47/566252147.db2.gz WGWCUHNTKBUIPF-MRXNPFEDSA-N 1 0 375.266 3.159 20 30 GGEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508995753 566254873 /nfs/dbraw/zinc/25/48/73/566254873.db2.gz LZDGTJZJEJAAJZ-UHFFFAOYSA-N 1 0 396.358 3.486 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000555880078 566256755 /nfs/dbraw/zinc/25/67/55/566256755.db2.gz RRYKVSOOOCFWDJ-UHFFFAOYSA-N 1 0 396.285 3.436 20 30 GGEDRO C[N@@H+](CC/C=C\c1ccc(Br)cc1)CCCc1[nH]nc(N)c1C#N ZINC000534835172 566258247 /nfs/dbraw/zinc/25/82/47/566258247.db2.gz LWLHKFYNICCSPL-DJWKRKHSSA-N 1 0 388.313 3.424 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)COc1ccccc1C#N ZINC000599388768 566260371 /nfs/dbraw/zinc/26/03/71/566260371.db2.gz OTNCVBYXHDEERQ-HNNXBMFYSA-N 1 0 393.256 3.332 20 30 GGEDRO N#Cc1ccc(C[NH2+]CCOc2ccc(I)cc2)cc1 ZINC000509431085 566304040 /nfs/dbraw/zinc/30/40/40/566304040.db2.gz TXRAPKVNPIMCBM-UHFFFAOYSA-N 1 0 378.213 3.331 20 30 GGEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)CCC(C)(C)C#N)c2cccs2)CC1 ZINC000576016450 566307769 /nfs/dbraw/zinc/30/77/69/566307769.db2.gz VZOCRWBHIILUPI-INIZCTEOSA-N 1 0 383.583 3.380 20 30 GGEDRO C[C@@H]1c2cccc(Br)c2CCN1CC(=O)N(CCC#N)CCC#N ZINC000509480449 566308981 /nfs/dbraw/zinc/30/89/81/566308981.db2.gz PEGIJHDVTZIZBY-CQSZACIVSA-N 1 0 389.297 3.024 20 30 GGEDRO N#CCSCCC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000482523889 566314843 /nfs/dbraw/zinc/31/48/43/566314843.db2.gz DWWJJJXQEHLECM-UHFFFAOYSA-N 1 0 386.334 3.353 20 30 GGEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669817575 566328918 /nfs/dbraw/zinc/32/89/18/566328918.db2.gz LTVZUJKMXZFHDL-AWEZNQCLSA-N 1 0 390.329 3.424 20 30 GGEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669809626 566329346 /nfs/dbraw/zinc/32/93/46/566329346.db2.gz ZNWLRDIIRMBZCX-GFCCVEGCSA-N 1 0 396.358 3.486 20 30 GGEDRO CN1CCC([NH+]2CCC(Nc3cc(Br)c(C#N)cc3F)CC2)CC1 ZINC000576291938 566331682 /nfs/dbraw/zinc/33/16/82/566331682.db2.gz XEZVJMXTDYVJNE-UHFFFAOYSA-N 1 0 395.320 3.430 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420977850 566333227 /nfs/dbraw/zinc/33/32/27/566333227.db2.gz SOANKPGXEPGCPX-INIZCTEOSA-N 1 0 378.314 3.218 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2ccc(Br)cc2)cc1 ZINC000576391289 566341316 /nfs/dbraw/zinc/34/13/16/566341316.db2.gz RMPAYLBVRWIKHO-GOSISDBHSA-N 1 0 389.293 3.087 20 30 GGEDRO C=CCC[C@@H](CC)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000556912992 566342932 /nfs/dbraw/zinc/34/29/32/566342932.db2.gz OZHAHWLPOWNKOP-CQSZACIVSA-N 1 0 389.359 3.452 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(Br)cn1 ZINC000482964275 566345537 /nfs/dbraw/zinc/34/55/37/566345537.db2.gz RUCNSRRIQMRQJC-SNVBAGLBSA-N 1 0 379.283 3.457 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000576520333 566353913 /nfs/dbraw/zinc/35/39/13/566353913.db2.gz LRYHLYKPSJZQSB-QXAKKESOSA-N 1 0 392.341 3.182 20 30 GGEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000670207559 566354236 /nfs/dbraw/zinc/35/42/36/566354236.db2.gz IFJMAESYMLEDST-CYBMUJFWSA-N 1 0 393.333 3.142 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000557018957 566354751 /nfs/dbraw/zinc/35/47/51/566354751.db2.gz JHNXPMABQYJFBU-GXTWGEPZSA-N 1 0 380.286 3.230 20 30 GGEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600717679 566359079 /nfs/dbraw/zinc/35/90/79/566359079.db2.gz SLHODTFBJSRIBE-RDTXWAMCSA-N 1 0 389.293 3.281 20 30 GGEDRO Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)c1Br ZINC000600734294 566360420 /nfs/dbraw/zinc/36/04/20/566360420.db2.gz NNKMENRRDRXHAO-MRXNPFEDSA-N 1 0 375.266 3.159 20 30 GGEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600721367 566360535 /nfs/dbraw/zinc/36/05/35/566360535.db2.gz LMGVXCGWLUQKGA-RDTXWAMCSA-N 1 0 389.293 3.281 20 30 GGEDRO C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600728975 566360574 /nfs/dbraw/zinc/36/05/74/566360574.db2.gz CPABZLDVTCQFPS-RHSMWYFYSA-N 1 0 389.293 3.281 20 30 GGEDRO Cc1cc(Br)ccc1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600724242 566360641 /nfs/dbraw/zinc/36/06/41/566360641.db2.gz GIOIPWQKUPKTHJ-KRWDZBQOSA-N 1 0 375.266 3.159 20 30 GGEDRO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600728977 566360758 /nfs/dbraw/zinc/36/07/58/566360758.db2.gz CPABZLDVTCQFPS-WMLDXEAASA-N 1 0 389.293 3.281 20 30 GGEDRO C[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600728974 566360827 /nfs/dbraw/zinc/36/08/27/566360827.db2.gz CPABZLDVTCQFPS-PBHICJAKSA-N 1 0 389.293 3.281 20 30 GGEDRO Cc1ccc(Br)cc1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600732721 566361347 /nfs/dbraw/zinc/36/13/47/566361347.db2.gz DTOBHICJNITCPM-KRWDZBQOSA-N 1 0 375.266 3.159 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3ccc(Cl)cc32)nc1 ZINC000600761958 566364331 /nfs/dbraw/zinc/36/43/31/566364331.db2.gz UBAIENCJILOJGU-QGZVFWFLSA-N 1 0 375.881 3.048 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)cc1F ZINC000421385588 566370378 /nfs/dbraw/zinc/37/03/78/566370378.db2.gz LPOMICZNLUPKJY-AWEZNQCLSA-N 1 0 377.257 3.401 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C2CCN(OC)CC2)cc1OC ZINC000421394301 566370843 /nfs/dbraw/zinc/37/08/43/566370843.db2.gz GATHVVSFADLRKX-UHFFFAOYSA-N 1 0 385.302 3.138 20 30 GGEDRO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Br)cc1OCCCO ZINC000463037623 566378702 /nfs/dbraw/zinc/37/87/02/566378702.db2.gz WTWJPIWCKXIFCY-ZDUSSCGKSA-N 1 0 392.297 3.271 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000576865757 566384073 /nfs/dbraw/zinc/38/40/73/566384073.db2.gz MUEFCJIHPNXTSV-RHSMWYFYSA-N 1 0 378.856 3.270 20 30 GGEDRO COCC1(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCC1 ZINC000463166180 566388261 /nfs/dbraw/zinc/38/82/61/566388261.db2.gz YACQTVFDIKLUJM-GOSISDBHSA-N 1 0 392.341 3.448 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCc1cccc(Br)c1 ZINC000463428363 566410947 /nfs/dbraw/zinc/41/09/47/566410947.db2.gz KOXCWVYZEDIWDN-KBXCAEBGSA-N 1 0 380.330 3.366 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(Br)s2)cc1 ZINC000577215588 566416616 /nfs/dbraw/zinc/41/66/16/566416616.db2.gz AYUVCMNVGZXMSH-AWEZNQCLSA-N 1 0 395.322 3.149 20 30 GGEDRO N#CC1(F)CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000510901232 566419241 /nfs/dbraw/zinc/41/92/41/566419241.db2.gz HGHAJKRHTDIZLN-UHFFFAOYSA-N 1 0 388.224 3.388 20 30 GGEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000537097115 566422435 /nfs/dbraw/zinc/42/24/35/566422435.db2.gz AMXQHOHOQUVRAF-TZMCWYRMSA-N 1 0 379.302 3.173 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc([S@@](C)=O)cc1 ZINC000537166854 566426538 /nfs/dbraw/zinc/42/65/38/566426538.db2.gz GZOZPKBSFZHIGT-UOXLDJKESA-N 1 0 375.881 3.238 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc([S@](C)=O)cc1 ZINC000537166855 566426818 /nfs/dbraw/zinc/42/68/18/566426818.db2.gz GZOZPKBSFZHIGT-VDBVYFBLSA-N 1 0 375.881 3.238 20 30 GGEDRO CS[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000484616877 566440298 /nfs/dbraw/zinc/44/02/98/566440298.db2.gz NWXQOCGFAPQBSE-DLBZAZTESA-N 1 0 380.355 3.332 20 30 GGEDRO CS[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H]1[NH+]1CCCC1 ZINC000484616878 566440319 /nfs/dbraw/zinc/44/03/19/566440319.db2.gz NWXQOCGFAPQBSE-IAGOWNOFSA-N 1 0 380.355 3.332 20 30 GGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)CC2 ZINC000577905587 566474659 /nfs/dbraw/zinc/47/46/59/566474659.db2.gz BHKHOIBHBPEUNH-SFHVURJKSA-N 1 0 384.277 3.328 20 30 GGEDRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602541071 566475391 /nfs/dbraw/zinc/47/53/91/566475391.db2.gz RDMNXSWTIVNYQH-ZDUSSCGKSA-N 1 0 382.302 3.107 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000602519987 566475836 /nfs/dbraw/zinc/47/58/36/566475836.db2.gz CIMNCSDGVDUASE-ZIAGYGMSSA-N 1 0 387.307 3.422 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(C#N)c1Br)c1cccs1 ZINC000448584977 566479704 /nfs/dbraw/zinc/47/97/04/566479704.db2.gz IVBKVGOPCRHHBG-ZDUSSCGKSA-N 1 0 378.295 3.415 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1C#N)Cc1ccccc1 ZINC000448609032 566481531 /nfs/dbraw/zinc/48/15/31/566481531.db2.gz YREBRWNTZYBUDJ-KRWDZBQOSA-N 1 0 386.293 3.223 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(C#N)c1Br)Cc1ccccc1 ZINC000448608710 566482273 /nfs/dbraw/zinc/48/22/73/566482273.db2.gz XBALIDFMWXYBSO-MRXNPFEDSA-N 1 0 386.293 3.223 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000602636516 566483618 /nfs/dbraw/zinc/48/36/18/566483618.db2.gz IXIQKVFLNPRLAY-JKSUJKDBSA-N 1 0 395.341 3.289 20 30 GGEDRO N#CC1(CCC[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CCOCC1 ZINC000602888507 566498474 /nfs/dbraw/zinc/49/84/74/566498474.db2.gz VCYBVNXPXMONIK-INIZCTEOSA-N 1 0 394.313 3.398 20 30 GGEDRO N#CC1(CCC[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CCOCC1 ZINC000602888512 566498731 /nfs/dbraw/zinc/49/87/31/566498731.db2.gz VCYBVNXPXMONIK-MRXNPFEDSA-N 1 0 394.313 3.398 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c(Br)c1 ZINC000602894664 566499135 /nfs/dbraw/zinc/49/91/35/566499135.db2.gz YREGCOFMLHELCO-SJORKVTESA-N 1 0 379.298 3.121 20 30 GGEDRO Cc1[nH]c(C#N)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000448816701 566499920 /nfs/dbraw/zinc/49/99/20/566499920.db2.gz SOYHFRCPLQJXNY-UHFFFAOYSA-N 1 0 389.297 3.161 20 30 GGEDRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]([NH3+])CCCC#N ZINC000424076050 566509026 /nfs/dbraw/zinc/50/90/26/566509026.db2.gz KWHWZEMCSACIIK-CQSZACIVSA-N 1 0 385.295 3.192 20 30 GGEDRO N#Cc1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1Br ZINC000448890876 566509388 /nfs/dbraw/zinc/50/93/88/566509388.db2.gz NFUBLAGUWPTSNJ-HNNXBMFYSA-N 1 0 376.298 3.411 20 30 GGEDRO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424109438 566512505 /nfs/dbraw/zinc/51/25/05/566512505.db2.gz AKUJZIQLYAPUOE-GJZGRUSLSA-N 1 0 380.286 3.142 20 30 GGEDRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424135369 566514401 /nfs/dbraw/zinc/51/44/01/566514401.db2.gz JIDKLFPDMITXQX-YVLXSGLVSA-N 1 0 382.327 3.369 20 30 GGEDRO CCc1c(NC(=O)[C@@H]([NH3+])CCCC#N)n[nH]c1-c1ccc(Br)cc1 ZINC000424143676 566514757 /nfs/dbraw/zinc/51/47/57/566514757.db2.gz RCVSCVOZONQYQJ-AWEZNQCLSA-N 1 0 390.285 3.361 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000424125619 566514848 /nfs/dbraw/zinc/51/48/48/566514848.db2.gz OGNDAGMOFHHWTP-MRXNPFEDSA-N 1 0 378.314 3.398 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000424203717 566520000 /nfs/dbraw/zinc/52/00/00/566520000.db2.gz RMRBEKZDFFEJIT-SJORKVTESA-N 1 0 378.314 3.394 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cn1 ZINC000578478188 566525763 /nfs/dbraw/zinc/52/57/63/566525763.db2.gz RUOXCCMXUUZBTA-CJNGLKHVSA-N 1 0 390.281 3.001 20 30 GGEDRO N#CCN1CCC([NH2+]Cc2cc(Br)sc2Br)CC1 ZINC000603424792 566526074 /nfs/dbraw/zinc/52/60/74/566526074.db2.gz ZIZPSFKWCNJVCS-UHFFFAOYSA-N 1 0 393.148 3.351 20 30 GGEDRO C=CCn1cc(C[NH2+][C@@H](C)CCc2ccc(I)cc2)nn1 ZINC000424298032 566527372 /nfs/dbraw/zinc/52/73/72/566527372.db2.gz RULPIMACZVAHAZ-ZDUSSCGKSA-N 1 0 396.276 3.180 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)COc1cccc(Br)c1C#N ZINC000449100900 566528730 /nfs/dbraw/zinc/52/87/30/566528730.db2.gz CZUGNJZGKPYJCE-AWEZNQCLSA-N 1 0 394.313 3.080 20 30 GGEDRO N#CCCOCC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000559144170 566529480 /nfs/dbraw/zinc/52/94/80/566529480.db2.gz HVMCETOISKLKPV-UHFFFAOYSA-N 1 0 380.286 3.030 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cc(F)cc(Br)c1 ZINC000485839347 566530701 /nfs/dbraw/zinc/53/07/01/566530701.db2.gz DCFUPGXZSXRERR-INIZCTEOSA-N 1 0 395.276 3.285 20 30 GGEDRO C[N@H+](CCOCCC#N)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000559187854 566533503 /nfs/dbraw/zinc/53/35/03/566533503.db2.gz POCIJIACYZOPSJ-MRXNPFEDSA-N 1 0 397.313 3.369 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCc2ccc(Br)cc21 ZINC000538781892 566537331 /nfs/dbraw/zinc/53/73/31/566537331.db2.gz DVIVAMRNNZZQQI-QGZVFWFLSA-N 1 0 388.313 3.398 20 30 GGEDRO CC(C)[NH+]1CCC(N(C)C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449267646 566543261 /nfs/dbraw/zinc/54/32/61/566543261.db2.gz ATNISQKTMXPZMR-UHFFFAOYSA-N 1 0 394.313 3.031 20 30 GGEDRO Cc1oc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000424616745 566546956 /nfs/dbraw/zinc/54/69/56/566546956.db2.gz NAHMWKDXYYZDEH-UHFFFAOYSA-N 1 0 390.281 3.426 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000465856688 566550349 /nfs/dbraw/zinc/55/03/49/566550349.db2.gz DFPNVQITRVJEMV-CQSZACIVSA-N 1 0 396.329 3.166 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000449372942 566554951 /nfs/dbraw/zinc/55/49/51/566554951.db2.gz AUKMXWVZLKESPR-UHFFFAOYSA-N 1 0 390.281 3.083 20 30 GGEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1Cl ZINC000578814494 566555681 /nfs/dbraw/zinc/55/56/81/566555681.db2.gz HXGACXMGPAEMJW-GOSISDBHSA-N 1 0 377.897 3.367 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000512855132 566562507 /nfs/dbraw/zinc/56/25/07/566562507.db2.gz FTJFDQGQKBNKHS-WBVHZDCISA-N 1 0 386.945 3.102 20 30 GGEDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)ccc1C#N ZINC000512862274 566563839 /nfs/dbraw/zinc/56/38/39/566563839.db2.gz SPMVAXYOTQKELG-UHFFFAOYSA-N 1 0 398.315 3.242 20 30 GGEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)n1 ZINC000512903937 566567793 /nfs/dbraw/zinc/56/77/93/566567793.db2.gz JXUJXFOCOLGXOS-UHFFFAOYSA-N 1 0 388.294 3.431 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1OC ZINC000449516718 566571302 /nfs/dbraw/zinc/57/13/02/566571302.db2.gz HISVFGBQBYLEPD-GOEBONIOSA-N 1 0 381.314 3.158 20 30 GGEDRO C=CCC[C@@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000539335795 566576058 /nfs/dbraw/zinc/57/60/58/566576058.db2.gz MRHJAPFGNHNAQH-MRXNPFEDSA-N 1 0 376.444 3.338 20 30 GGEDRO CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000559962388 566579294 /nfs/dbraw/zinc/57/92/94/566579294.db2.gz RSPFFTCHCZWFAZ-UHFFFAOYSA-N 1 0 377.897 3.488 20 30 GGEDRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ccc(C#N)s1 ZINC000449685489 566592784 /nfs/dbraw/zinc/59/27/84/566592784.db2.gz UVSVESPPASUGLW-LBPRGKRZSA-N 1 0 395.322 3.332 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)s1 ZINC000449686490 566592828 /nfs/dbraw/zinc/59/28/28/566592828.db2.gz YSCFWWNSZIQSCQ-LBPRGKRZSA-N 1 0 383.286 3.462 20 30 GGEDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(Br)c(C#N)cc2F)CC1 ZINC000579414775 566607969 /nfs/dbraw/zinc/60/79/69/566607969.db2.gz UCBUEXVQIKIJDD-ZDUSSCGKSA-N 1 0 383.309 3.145 20 30 GGEDRO CCN1CC[NH+](C[C@H](C)CNc2cc(Br)c(C#N)cc2F)CC1 ZINC000579414773 566608055 /nfs/dbraw/zinc/60/80/55/566608055.db2.gz UCBUEXVQIKIJDD-CYBMUJFWSA-N 1 0 383.309 3.145 20 30 GGEDRO N#Cc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1Br ZINC000449908101 566614873 /nfs/dbraw/zinc/61/48/73/566614873.db2.gz RVLBVKNBZJWAFQ-HNNXBMFYSA-N 1 0 376.298 3.411 20 30 GGEDRO N#Cc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1Br ZINC000449908102 566615036 /nfs/dbraw/zinc/61/50/36/566615036.db2.gz RVLBVKNBZJWAFQ-OAHLLOKOSA-N 1 0 376.298 3.411 20 30 GGEDRO C=CCN1CC[C@H](N(C)c2cc[nH+]c3cc(OC)c(Br)cc32)C1=O ZINC000425252284 566623314 /nfs/dbraw/zinc/62/33/14/566623314.db2.gz AZIKPJRZYAYHTQ-INIZCTEOSA-N 1 0 390.281 3.229 20 30 GGEDRO N#Cc1cccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1Br ZINC000450048790 566629262 /nfs/dbraw/zinc/62/92/62/566629262.db2.gz OQXXBCRBKBYECP-UHFFFAOYSA-N 1 0 376.298 3.458 20 30 GGEDRO N#Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000450182148 566642441 /nfs/dbraw/zinc/64/24/41/566642441.db2.gz ABBNWFQLRLFJDQ-WMLDXEAASA-N 1 0 388.309 3.410 20 30 GGEDRO N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000450182150 566642714 /nfs/dbraw/zinc/64/27/14/566642714.db2.gz ABBNWFQLRLFJDQ-YOEHRIQHSA-N 1 0 388.309 3.410 20 30 GGEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc(C#N)c3Br)C2)CC1 ZINC000450239208 566647937 /nfs/dbraw/zinc/64/79/37/566647937.db2.gz YDUPCYIBUUOZMR-OAHLLOKOSA-N 1 0 376.298 3.125 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000540464710 566651576 /nfs/dbraw/zinc/65/15/76/566651576.db2.gz ZFQSQBJOWOVDHL-YDBLSZJJSA-N 1 0 375.881 3.238 20 30 GGEDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505658 566651577 /nfs/dbraw/zinc/65/15/77/566651577.db2.gz BVRSLTDRZSAPJC-VDNDLQMASA-N 1 0 377.282 3.330 20 30 GGEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)c2Br)[C@H]1c1ccccc1 ZINC000450274003 566652969 /nfs/dbraw/zinc/65/29/69/566652969.db2.gz FIZJGHYIMYDLQJ-SJLPKXTDSA-N 1 0 384.277 3.496 20 30 GGEDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)c2Br)[C@H]1c1ccccc1 ZINC000450274002 566653057 /nfs/dbraw/zinc/65/30/57/566653057.db2.gz FIZJGHYIMYDLQJ-FUHWJXTLSA-N 1 0 384.277 3.496 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc(Br)cc2C#N)[C@@H](C)C1 ZINC000450340295 566660473 /nfs/dbraw/zinc/66/04/73/566660473.db2.gz VARQVSRGZZPXSB-XJKSGUPXSA-N 1 0 381.318 3.265 20 30 GGEDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c(C)s1 ZINC000540707984 566667220 /nfs/dbraw/zinc/66/72/20/566667220.db2.gz OULAKBGKTQYYDF-LBPRGKRZSA-N 1 0 381.498 3.005 20 30 GGEDRO C[C@@H](CCNC(=O)COc1cccc(Br)c1C#N)[NH+]1CCCCC1 ZINC000450556433 566685021 /nfs/dbraw/zinc/68/50/21/566685021.db2.gz CICLLQHWNNBNRX-AWEZNQCLSA-N 1 0 394.313 3.080 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000580510198 566699703 /nfs/dbraw/zinc/69/97/03/566699703.db2.gz CBPCVWZMOCHTKS-ZBFHGGJFSA-N 1 0 390.325 3.264 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000468452787 566702807 /nfs/dbraw/zinc/70/28/07/566702807.db2.gz WBLBEPFAAHAOGQ-GOSISDBHSA-N 1 0 393.325 3.388 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000426353949 566706288 /nfs/dbraw/zinc/70/62/88/566706288.db2.gz XIPYOKMVVZBTCO-UHFFFAOYSA-N 1 0 379.298 3.154 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000515523737 566719692 /nfs/dbraw/zinc/71/96/92/566719692.db2.gz RWGFMTQECAHOKD-GASCZTMLSA-N 1 0 383.945 3.248 20 30 GGEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000515559472 566720863 /nfs/dbraw/zinc/72/08/63/566720863.db2.gz QMEWMURDCIUFAD-CHWSQXEVSA-N 1 0 393.333 3.141 20 30 GGEDRO C=C[C@](C)(O)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426781517 566728941 /nfs/dbraw/zinc/72/89/41/566728941.db2.gz AMGPFGDXYKBEAS-IBGZPJMESA-N 1 0 395.341 3.199 20 30 GGEDRO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CC(=O)NCC#N ZINC000541640025 566739888 /nfs/dbraw/zinc/73/98/88/566739888.db2.gz YSTVTBBMJJHCRF-SNVBAGLBSA-N 1 0 393.310 3.171 20 30 GGEDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000561786428 566740290 /nfs/dbraw/zinc/74/02/90/566740290.db2.gz FLEFWJCMOFWYAO-INIZCTEOSA-N 1 0 382.957 3.074 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)s2)cc1 ZINC000516050495 566743673 /nfs/dbraw/zinc/74/36/73/566743673.db2.gz VDAQMRBDVHEGTQ-BPLDGKMQSA-N 1 0 393.306 3.268 20 30 GGEDRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451054418 566744454 /nfs/dbraw/zinc/74/44/54/566744454.db2.gz LBAMEWAHGVZKND-UHFFFAOYSA-N 1 0 383.945 3.196 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](OC)c2ccccc2Br)CC1 ZINC000654747882 566750968 /nfs/dbraw/zinc/75/09/68/566750968.db2.gz PAHFYACIKKBFKD-KRWDZBQOSA-N 1 0 381.314 3.293 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1[nH]c2ccccc2c1Br ZINC000609167312 566752289 /nfs/dbraw/zinc/75/22/89/566752289.db2.gz RLNPGXJEIIUFTB-UHFFFAOYSA-N 1 0 377.286 3.238 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CSCc2ccc(Br)cc2)CC1 ZINC000609266565 566756064 /nfs/dbraw/zinc/75/60/64/566756064.db2.gz NQESJFJGGZBWPY-UHFFFAOYSA-N 1 0 383.355 3.449 20 30 GGEDRO N#Cc1ccccc1OCC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000541950880 566762332 /nfs/dbraw/zinc/76/23/32/566762332.db2.gz RVJSOLSMUKCZIB-KRWDZBQOSA-N 1 0 375.266 3.413 20 30 GGEDRO N#Cc1ccccc1OCC[NH2+][C@H](CCO)c1ccccc1Br ZINC000541950881 566763091 /nfs/dbraw/zinc/76/30/91/566763091.db2.gz RVJSOLSMUKCZIB-QGZVFWFLSA-N 1 0 375.266 3.413 20 30 GGEDRO C=CCCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000489123529 566772870 /nfs/dbraw/zinc/77/28/70/566772870.db2.gz ABEJFZNPBPBRAE-UHFFFAOYSA-N 1 0 378.460 3.365 20 30 GGEDRO CC(C)[NH+]1CCC(N2CCN(c3cccc(Br)c3C#N)CC2)CC1 ZINC000562235712 566773631 /nfs/dbraw/zinc/77/36/31/566773631.db2.gz VSSYFPCVIZKHPC-UHFFFAOYSA-N 1 0 391.357 3.316 20 30 GGEDRO N#CCc1ccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000451284118 566788030 /nfs/dbraw/zinc/78/80/30/566788030.db2.gz JQJUDTQWJUNCEL-UHFFFAOYSA-N 1 0 381.929 3.091 20 30 GGEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451306958 566792416 /nfs/dbraw/zinc/79/24/16/566792416.db2.gz TWPYWGJPUOAZGX-KFWWJZLASA-N 1 0 383.945 3.051 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451345318 566800244 /nfs/dbraw/zinc/80/02/44/566800244.db2.gz RPAZADXHSZXUJM-INIZCTEOSA-N 1 0 383.945 3.052 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655431345 566800402 /nfs/dbraw/zinc/80/04/02/566800402.db2.gz FBDCURWCWCTVAZ-QAPCUYQASA-N 1 0 381.289 3.493 20 30 GGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000562552249 566801010 /nfs/dbraw/zinc/80/10/10/566801010.db2.gz SDGXRKITTDJFCX-SJORKVTESA-N 1 0 378.519 3.037 20 30 GGEDRO CC[N@H+](CCNC(=O)c1ccc(Br)cc1C#N)CCC(F)(F)F ZINC000451382387 566808044 /nfs/dbraw/zinc/80/80/44/566808044.db2.gz GOOAMEKNWIVXMW-UHFFFAOYSA-N 1 0 392.219 3.325 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(OC)ccc2Br)CC1 ZINC000517317309 566819580 /nfs/dbraw/zinc/81/95/80/566819580.db2.gz DXOHAXPCOFKVDW-UHFFFAOYSA-N 1 0 396.329 3.297 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)c1ccc(Cl)s1 ZINC000428194702 566823963 /nfs/dbraw/zinc/82/39/63/566823963.db2.gz VGJYDPLCBPODTJ-UHFFFAOYSA-N 1 0 375.881 3.046 20 30 GGEDRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000451525407 566832201 /nfs/dbraw/zinc/83/22/01/566832201.db2.gz ANILMIKJKLHSIW-KRWDZBQOSA-N 1 0 383.945 3.336 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000470015339 566838771 /nfs/dbraw/zinc/83/87/71/566838771.db2.gz NORRQEXKCUGSOJ-CABCVRRESA-N 1 0 381.314 3.349 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C[NH2+]C)C2)cc1OCC ZINC000470012591 566839366 /nfs/dbraw/zinc/83/93/66/566839366.db2.gz RAAYENOVCLGAOR-CQSZACIVSA-N 1 0 383.330 3.454 20 30 GGEDRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000562985413 566841885 /nfs/dbraw/zinc/84/18/85/566841885.db2.gz RBMBWHONGJXMLL-MRRJBJDNSA-N 1 0 398.370 3.028 20 30 GGEDRO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000562997818 566844144 /nfs/dbraw/zinc/84/41/44/566844144.db2.gz XIWFJPFLODHVGH-WMLDXEAASA-N 1 0 389.293 3.281 20 30 GGEDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)ccc1Br ZINC000517733189 566844171 /nfs/dbraw/zinc/84/41/71/566844171.db2.gz XAEMVWWPPLYKRF-KRWDZBQOSA-N 1 0 389.293 3.353 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)c(F)c1 ZINC000428533418 566852548 /nfs/dbraw/zinc/85/25/48/566852548.db2.gz GZISTXYBDWETJX-OAHLLOKOSA-N 1 0 377.257 3.401 20 30 GGEDRO N#CCN1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000610707210 566856339 /nfs/dbraw/zinc/85/63/39/566856339.db2.gz ISUJMZUVZKROBM-UHFFFAOYSA-N 1 0 387.119 3.289 20 30 GGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000451674767 566860859 /nfs/dbraw/zinc/86/08/59/566860859.db2.gz NUYZZWBBJDQYCZ-YUELXQCFSA-N 1 0 390.705 3.165 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C(=O)c1ccc(Cl)s1 ZINC000428710770 566873168 /nfs/dbraw/zinc/87/31/68/566873168.db2.gz MTDHYTDAILAWEK-UHFFFAOYSA-N 1 0 375.881 3.046 20 30 GGEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000563314724 566874989 /nfs/dbraw/zinc/87/49/89/566874989.db2.gz KUOKKZVKELITQG-GOSISDBHSA-N 1 0 377.897 3.367 20 30 GGEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCOc3cccc(Br)c3)C2)nc1 ZINC000428776841 566875598 /nfs/dbraw/zinc/87/55/98/566875598.db2.gz GECPKPVQDNYYLR-KRWDZBQOSA-N 1 0 388.265 3.248 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)CN2CCc3sc(Br)cc3C2)cc1 ZINC000610928659 566875905 /nfs/dbraw/zinc/87/59/05/566875905.db2.gz SSUNUMVJEWLHDI-AWEZNQCLSA-N 1 0 393.306 3.180 20 30 GGEDRO N#Cc1cccc(OCC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000428992194 566896219 /nfs/dbraw/zinc/89/62/19/566896219.db2.gz AJAQCEAAZYKRTO-KRWDZBQOSA-N 1 0 379.229 3.162 20 30 GGEDRO N#CC1(CCC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CCOCC1 ZINC000429026501 566903242 /nfs/dbraw/zinc/90/32/42/566903242.db2.gz YQPFFIVSCLIHPV-INIZCTEOSA-N 1 0 385.277 3.312 20 30 GGEDRO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1cccc(C#N)c1 ZINC000611387402 566914204 /nfs/dbraw/zinc/91/42/04/566914204.db2.gz NEQMJZQKUYSBIY-GFCCVEGCSA-N 1 0 383.249 3.179 20 30 GGEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611389161 566914260 /nfs/dbraw/zinc/91/42/60/566914260.db2.gz XUWMDTCXOQQILV-CYBMUJFWSA-N 1 0 393.306 3.445 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@@H+](C)C1CC1 ZINC000491829593 566917555 /nfs/dbraw/zinc/91/75/55/566917555.db2.gz FTICRPGORWNXKP-UHFFFAOYSA-N 1 0 384.293 3.380 20 30 GGEDRO C[C@H]([NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)CCC#N ZINC000429280377 566918103 /nfs/dbraw/zinc/91/81/03/566918103.db2.gz YLRVAZJBXXSACL-LRDDRELGSA-N 1 0 378.314 3.423 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429280062 566918883 /nfs/dbraw/zinc/91/88/83/566918883.db2.gz WWZJSUJUEZTRDN-QGZVFWFLSA-N 1 0 378.314 3.424 20 30 GGEDRO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000470992819 566921322 /nfs/dbraw/zinc/92/13/22/566921322.db2.gz ATPNCZFMXRXDBK-INIZCTEOSA-N 1 0 375.822 3.491 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429360950 566927139 /nfs/dbraw/zinc/92/71/39/566927139.db2.gz CDGJFJKAKLSKNW-ABAIWWIYSA-N 1 0 394.313 3.062 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429371449 566927511 /nfs/dbraw/zinc/92/75/11/566927511.db2.gz YWVGZBJTSVXNEV-KRWDZBQOSA-N 1 0 378.314 3.424 20 30 GGEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429364214 566927546 /nfs/dbraw/zinc/92/75/46/566927546.db2.gz FUYZLWZBZNOVET-PKOBYXMFSA-N 1 0 390.325 3.471 20 30 GGEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429364207 566927563 /nfs/dbraw/zinc/92/75/63/566927563.db2.gz FUYZLWZBZNOVET-IEBWSBKVSA-N 1 0 390.325 3.471 20 30 GGEDRO C[C@@H]([NH2+][C@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(C)CCC#N ZINC000429376211 566927575 /nfs/dbraw/zinc/92/75/75/566927575.db2.gz JICIYCHNMIITMW-WBMJQRKESA-N 1 0 378.314 3.423 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000519271105 566929514 /nfs/dbraw/zinc/92/95/14/566929514.db2.gz SBZPOTXPCLXPJC-UHFFFAOYSA-N 1 0 389.297 3.219 20 30 GGEDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(Br)cc2C#N)C1 ZINC000563948738 566931765 /nfs/dbraw/zinc/93/17/65/566931765.db2.gz SZHKUNKTGSJGKT-SFHVURJKSA-N 1 0 380.330 3.253 20 30 GGEDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000492353346 566932057 /nfs/dbraw/zinc/93/20/57/566932057.db2.gz CDVJZQHYUYGZHZ-UHFFFAOYSA-N 1 0 383.945 3.487 20 30 GGEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)C(C)C)nc2cc(Cl)ccc2c1=O ZINC000656690532 566934412 /nfs/dbraw/zinc/93/44/12/566934412.db2.gz JIHJWMMDEVJANG-AWEZNQCLSA-N 1 0 381.929 3.029 20 30 GGEDRO CS[C@@H]1CN(Cc2cc(C#N)ccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000492821750 566938827 /nfs/dbraw/zinc/93/88/27/566938827.db2.gz ZXFZSHVFXLUHNY-DLBZAZTESA-N 1 0 380.355 3.332 20 30 GGEDRO C[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)CC[N@@H+](C2CCC2)C1 ZINC000452327387 566962289 /nfs/dbraw/zinc/96/22/89/566962289.db2.gz OVNIFALIYNCQID-CYBMUJFWSA-N 1 0 376.298 3.267 20 30 GGEDRO N#Cc1cnn2cc(C[NH2+]C3(Cc4ccccc4Br)CC3)cnc12 ZINC000583565249 566963632 /nfs/dbraw/zinc/96/36/32/566963632.db2.gz XFPGBXBZDXLWDZ-UHFFFAOYSA-N 1 0 382.265 3.228 20 30 GGEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338360 566965213 /nfs/dbraw/zinc/96/52/13/566965213.db2.gz AVTVWHIRIZAIIN-GDZNZVCISA-N 1 0 376.298 3.123 20 30 GGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000519831028 566973900 /nfs/dbraw/zinc/97/39/00/566973900.db2.gz YOHIAMKVJMKDFX-ZIAGYGMSSA-N 1 0 389.359 3.226 20 30 GGEDRO CSC1(CNC(=O)Nc2ccc(C#N)c(Br)c2)CC[NH+](C)CC1 ZINC000564439918 566975845 /nfs/dbraw/zinc/97/58/45/566975845.db2.gz WNYBJTVTWRSUDM-UHFFFAOYSA-N 1 0 397.342 3.270 20 30 GGEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)CC2(CC#N)CC2)c2cccs2)CC1 ZINC000583719046 566976892 /nfs/dbraw/zinc/97/68/92/566976892.db2.gz QWQINLVOSMNKMG-INIZCTEOSA-N 1 0 381.567 3.134 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000471804780 566978292 /nfs/dbraw/zinc/97/82/92/566978292.db2.gz NUKYCLBKXXKLEJ-WMLDXEAASA-N 1 0 396.304 3.394 20 30 GGEDRO COc1cc(C[NH2+]CC2(CC#N)CC2)cc(I)c1OC ZINC000430038162 566978528 /nfs/dbraw/zinc/97/85/28/566978528.db2.gz VMULCQMUMGQTQM-UHFFFAOYSA-N 1 0 386.233 3.092 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000494267406 566980529 /nfs/dbraw/zinc/98/05/29/566980529.db2.gz GSHFNRUJXRONNL-OAHLLOKOSA-N 1 0 393.256 3.332 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2cccc(Br)c2)cc1 ZINC000564651614 566996334 /nfs/dbraw/zinc/99/63/34/566996334.db2.gz MMMAYALEINDLAC-GOSISDBHSA-N 1 0 389.293 3.087 20 30 GGEDRO Cc1cc(Br)cn2cc(CNC(=O)CNc3ccc(C#N)cc3)nc12 ZINC000612771912 566997726 /nfs/dbraw/zinc/99/77/26/566997726.db2.gz GHRDZUDVXOLVCY-UHFFFAOYSA-N 1 0 398.264 3.005 20 30 GGEDRO C=CCNC(=O)C[N@H+](Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000472158970 567005541 /nfs/dbraw/zinc/00/55/41/567005541.db2.gz NXGPPHHRVMCNJQ-UHFFFAOYSA-N 1 0 395.341 3.249 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000430570011 567020581 /nfs/dbraw/zinc/02/05/81/567020581.db2.gz YNTHZCAYWPWNJX-DOTOQJQBSA-N 1 0 378.314 3.255 20 30 GGEDRO C=CCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000472682299 567044373 /nfs/dbraw/zinc/04/43/73/567044373.db2.gz ILFIDVFQQNOICH-QGZVFWFLSA-N 1 0 381.314 3.427 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCNC2=O)cc1OCC ZINC000657288163 567045312 /nfs/dbraw/zinc/04/53/12/567045312.db2.gz TXSKNXTWPILAMO-AWEZNQCLSA-N 1 0 397.313 3.028 20 30 GGEDRO C=CCCn1cc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)nn1 ZINC000657329014 567046191 /nfs/dbraw/zinc/04/61/91/567046191.db2.gz HFIMLVJBDYKQIZ-OAHLLOKOSA-N 1 0 390.329 3.233 20 30 GGEDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000584538306 567052707 /nfs/dbraw/zinc/05/27/07/567052707.db2.gz LWLYGEXQUGXWAL-CQSZACIVSA-N 1 0 378.314 3.006 20 30 GGEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000584545065 567052879 /nfs/dbraw/zinc/05/28/79/567052879.db2.gz KDJXHEYQOTYRDQ-KRWDZBQOSA-N 1 0 387.277 3.339 20 30 GGEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000565392260 567063933 /nfs/dbraw/zinc/06/39/33/567063933.db2.gz DXZBBAROXSQPKT-CXAGYDPISA-N 1 0 377.286 3.101 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1(CC#N)CC1 ZINC000431196922 567065105 /nfs/dbraw/zinc/06/51/05/567065105.db2.gz NGAAZDKRMNRFEV-UHFFFAOYSA-N 1 0 393.329 3.216 20 30 GGEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000584742451 567066914 /nfs/dbraw/zinc/06/69/14/567066914.db2.gz NZIRUXONLMTZTN-CQSZACIVSA-N 1 0 377.897 3.010 20 30 GGEDRO Cc1cc(SCC(=O)NC2(C#N)CC[NH+](C)CC2)c(C)cc1Br ZINC000521603041 567069579 /nfs/dbraw/zinc/06/95/79/567069579.db2.gz NNTSCEGKIKYHLO-UHFFFAOYSA-N 1 0 396.354 3.262 20 30 GGEDRO C=CCC1([NH2+]Cc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000657635198 567078401 /nfs/dbraw/zinc/07/84/01/567078401.db2.gz ZBDXBYKJXIQXPS-UHFFFAOYSA-N 1 0 377.286 3.245 20 30 GGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453380305 567083528 /nfs/dbraw/zinc/08/35/28/567083528.db2.gz ZHWMUCICTZXJRM-SWLSCSKDSA-N 1 0 379.302 3.316 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1OCC ZINC000682951538 567087628 /nfs/dbraw/zinc/08/76/28/567087628.db2.gz JOWRGEXHWSALHB-CYBMUJFWSA-N 1 0 398.219 3.425 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1OCC ZINC000453588742 567094341 /nfs/dbraw/zinc/09/43/41/567094341.db2.gz LUJLSBWQUGSANO-GOSISDBHSA-N 1 0 397.313 3.171 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C(C)(C)C(=O)NCC)cc1OC ZINC000453604745 567097059 /nfs/dbraw/zinc/09/70/59/567097059.db2.gz NABMBKPEHUZYEL-UHFFFAOYSA-N 1 0 385.302 3.027 20 30 GGEDRO CCc1sc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1Br ZINC000565873765 567106027 /nfs/dbraw/zinc/10/60/27/567106027.db2.gz ZPSPGUDVHNMFPP-UHFFFAOYSA-N 1 0 396.314 3.072 20 30 GGEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000588313468 567125032 /nfs/dbraw/zinc/12/50/32/567125032.db2.gz WCSXHEATRHVPMW-CABCVRRESA-N 1 0 377.286 3.411 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1c[nH]c2ccc(Br)cc12 ZINC000498142160 567154970 /nfs/dbraw/zinc/15/49/70/567154970.db2.gz QTPBNDWCTSKXLX-UHFFFAOYSA-N 1 0 377.286 3.238 20 30 GGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)CC2 ZINC000589341476 567176269 /nfs/dbraw/zinc/17/62/69/567176269.db2.gz KOQVTTNXBAYYEI-CRAIPNDOSA-N 1 0 387.277 3.338 20 30 GGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)CC2 ZINC000589341479 567176371 /nfs/dbraw/zinc/17/63/71/567176371.db2.gz KOQVTTNXBAYYEI-QAPCUYQASA-N 1 0 387.277 3.338 20 30 GGEDRO N#CCN1CCC([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000615649571 567196766 /nfs/dbraw/zinc/19/67/66/567196766.db2.gz XXYDLDSSKPVSQC-LJQANCHMSA-N 1 0 392.341 3.494 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000567265829 567231003 /nfs/dbraw/zinc/23/10/03/567231003.db2.gz OTINHVIEHQSLHW-INIZCTEOSA-N 1 0 393.256 3.184 20 30 GGEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433303731 567240822 /nfs/dbraw/zinc/24/08/22/567240822.db2.gz LZCLKHJPEXLBST-GDBMZVCRSA-N 1 0 378.314 3.074 20 30 GGEDRO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294211 567240943 /nfs/dbraw/zinc/24/09/43/567240943.db2.gz KHYGHNCVQUNVMQ-VQIMIIECSA-N 1 0 398.304 3.412 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433306458 567242362 /nfs/dbraw/zinc/24/23/62/567242362.db2.gz SDGIGRKBPDNLNK-NVXWUHKLSA-N 1 0 392.341 3.322 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000567418778 567245342 /nfs/dbraw/zinc/24/53/42/567245342.db2.gz SVODKSSZJIHGPP-KRWDZBQOSA-N 1 0 376.478 3.298 20 30 GGEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)c1 ZINC000475586883 567259403 /nfs/dbraw/zinc/25/94/03/567259403.db2.gz NGLZUFZGAMGIDU-UHFFFAOYSA-N 1 0 381.929 3.098 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(I)c(C)cc2C)CC1 ZINC000475635541 567264037 /nfs/dbraw/zinc/26/40/37/567264037.db2.gz BMRDOBYFDCGLMN-UHFFFAOYSA-N 1 0 398.288 3.288 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCOc2cccc(Cl)c2Cl)cc1 ZINC000567681478 567267780 /nfs/dbraw/zinc/26/77/80/567267780.db2.gz SUDHCFGWRFOVQH-CQSZACIVSA-N 1 0 381.259 3.273 20 30 GGEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000525886379 567272777 /nfs/dbraw/zinc/27/27/77/567272777.db2.gz IVTAROYEIZEPHK-HNNXBMFYSA-N 1 0 378.314 3.264 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000591724907 567292277 /nfs/dbraw/zinc/29/22/77/567292277.db2.gz PIBVIQWUEUQDFJ-QGZVFWFLSA-N 1 0 375.266 3.045 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)CCC1 ZINC000526136155 567294817 /nfs/dbraw/zinc/29/48/17/567294817.db2.gz RUAQVGFPRQIBLO-QGZVFWFLSA-N 1 0 376.298 3.442 20 30 GGEDRO CC(C)(CC#N)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000591770366 567296783 /nfs/dbraw/zinc/29/67/83/567296783.db2.gz YUFUKLFAALQFHY-LBPRGKRZSA-N 1 0 375.694 3.372 20 30 GGEDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000568105086 567306161 /nfs/dbraw/zinc/30/61/61/567306161.db2.gz NZYCGZOGSRWJQM-CQSZACIVSA-N 1 0 378.314 3.006 20 30 GGEDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000568105085 567306257 /nfs/dbraw/zinc/30/62/57/567306257.db2.gz NZYCGZOGSRWJQM-AWEZNQCLSA-N 1 0 378.314 3.006 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000592068642 567313489 /nfs/dbraw/zinc/31/34/89/567313489.db2.gz KMPDVQCXIFREII-UHFFFAOYSA-N 1 0 389.297 3.015 20 30 GGEDRO C=CCC[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000568238974 567313854 /nfs/dbraw/zinc/31/38/54/567313854.db2.gz DXTHRCXOQZKOOM-CYBMUJFWSA-N 1 0 375.332 3.062 20 30 GGEDRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151031 567318312 /nfs/dbraw/zinc/31/83/12/567318312.db2.gz JISOKZRBMZASIS-SFHVURJKSA-N 1 0 394.313 3.135 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000527298590 567327671 /nfs/dbraw/zinc/32/76/71/567327671.db2.gz OXXJSHZDULQFKX-CQSZACIVSA-N 1 0 390.325 3.363 20 30 GGEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435428806 567362684 /nfs/dbraw/zinc/36/26/84/567362684.db2.gz SVRKMMVDXXINPR-UHFFFAOYSA-N 1 0 383.564 3.214 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435425957 567362786 /nfs/dbraw/zinc/36/27/86/567362786.db2.gz FUSDCSZZUSSCPI-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000435443169 567369749 /nfs/dbraw/zinc/36/97/49/567369749.db2.gz MJPHQOFSOPEQFP-UHFFFAOYSA-N 1 0 375.519 3.084 20 30 GGEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435643007 567380911 /nfs/dbraw/zinc/38/09/11/567380911.db2.gz AJLOVJYGWVBMJD-MRXNPFEDSA-N 1 0 381.929 3.287 20 30 GGEDRO CCOc1cc(C#N)cc(Br)c1OCc1nc(C2([NH3+])CCC2)no1 ZINC000569604702 567417070 /nfs/dbraw/zinc/41/70/70/567417070.db2.gz ZZMUJGNVFINWAO-UHFFFAOYSA-N 1 0 393.241 3.019 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000436307133 567418572 /nfs/dbraw/zinc/41/85/72/567418572.db2.gz JYYOOEZUPXIYDE-GDLVEWKHSA-N 1 0 393.336 3.273 20 30 GGEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507144 567432802 /nfs/dbraw/zinc/43/28/02/567432802.db2.gz VWCUPMGLZGYOOS-RYQLBKOJSA-N 1 0 393.325 3.249 20 30 GGEDRO CC[C@H](C#N)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000593718321 567436222 /nfs/dbraw/zinc/43/62/22/567436222.db2.gz KQIFWUSVDDEHIO-CQSZACIVSA-N 1 0 378.314 3.422 20 30 GGEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cncc(Br)c3)CC2)c1 ZINC000593693329 567436387 /nfs/dbraw/zinc/43/63/87/567436387.db2.gz UONQSDKNBDMCNO-UHFFFAOYSA-N 1 0 385.309 3.470 20 30 GGEDRO COC[C@@]1([NH2+]Cc2ccc(C#N)cc2Br)COc2ccccc2C1 ZINC000528747503 567453445 /nfs/dbraw/zinc/45/34/45/567453445.db2.gz MRQDPTYHSPHBSP-LJQANCHMSA-N 1 0 387.277 3.431 20 30 GGEDRO COC[C@]1([NH2+]Cc2cc(C#N)ccc2Br)COc2ccccc2C1 ZINC000528747093 567453464 /nfs/dbraw/zinc/45/34/64/567453464.db2.gz LCPHVYLMJULPFE-IBGZPJMESA-N 1 0 387.277 3.431 20 30 GGEDRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000619535205 567462934 /nfs/dbraw/zinc/46/29/34/567462934.db2.gz KBSTXUAUIFLMBR-UHFFFAOYSA-N 1 0 376.298 3.256 20 30 GGEDRO CSc1cc(Br)ccc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000594248495 567466174 /nfs/dbraw/zinc/46/61/74/567466174.db2.gz DLRLWKFUCGCJSB-UHFFFAOYSA-N 1 0 384.343 3.479 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)co1 ZINC000457465946 567467565 /nfs/dbraw/zinc/46/75/65/567467565.db2.gz TYNFYMXRGBDPJX-UHFFFAOYSA-N 1 0 376.254 3.118 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(F)cc2Br)CC1 ZINC000478615009 567470857 /nfs/dbraw/zinc/47/08/57/567470857.db2.gz KXSIMEHJHZMGSY-UHFFFAOYSA-N 1 0 384.293 3.380 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2c(Cl)cccc2Cl)c1C#N ZINC000594423007 567474723 /nfs/dbraw/zinc/47/47/23/567474723.db2.gz MRLLHICMHYRWMB-UHFFFAOYSA-N 1 0 380.279 3.311 20 30 GGEDRO Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1CCN(CC#N)CC1 ZINC000594499693 567482196 /nfs/dbraw/zinc/48/21/96/567482196.db2.gz QIRUAGRFSLJYJM-UHFFFAOYSA-N 1 0 388.313 3.021 20 30 GGEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503385599 567482632 /nfs/dbraw/zinc/48/26/32/567482632.db2.gz RNUHBWQPOUSGKY-AWEZNQCLSA-N 1 0 378.314 3.389 20 30 GGEDRO CC[N@H+](CCNC(=O)NCc1ccc(C#N)c(Cl)c1)CCC(F)(F)F ZINC000619822683 567482635 /nfs/dbraw/zinc/48/26/35/567482635.db2.gz KXRCDTIZBITJJK-UHFFFAOYSA-N 1 0 376.810 3.285 20 30 GGEDRO CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000594556124 567484782 /nfs/dbraw/zinc/48/47/82/567484782.db2.gz PJBAZMIBCRYUBM-OAHLLOKOSA-N 1 0 395.320 3.065 20 30 GGEDRO CN(c1cc(Br)c(C#N)cc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000594556122 567485179 /nfs/dbraw/zinc/48/51/79/567485179.db2.gz PJBAZMIBCRYUBM-HNNXBMFYSA-N 1 0 395.320 3.065 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503447853 567485662 /nfs/dbraw/zinc/48/56/62/567485662.db2.gz OGIMWROEOLDQPC-GJZGRUSLSA-N 1 0 383.945 3.248 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccsc1Cl ZINC000551215533 567488365 /nfs/dbraw/zinc/48/83/65/567488365.db2.gz SQHPPSJNFURPKV-UHFFFAOYSA-N 1 0 377.897 3.242 20 30 GGEDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503478720 567488551 /nfs/dbraw/zinc/48/85/51/567488551.db2.gz QQLBSFYSODLNDB-UHFFFAOYSA-N 1 0 383.945 3.344 20 30 GGEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000551228494 567490875 /nfs/dbraw/zinc/49/08/75/567490875.db2.gz FRPYQXAKRLYZIO-CYBMUJFWSA-N 1 0 384.281 3.474 20 30 GGEDRO N#Cc1ccc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000594718323 567502242 /nfs/dbraw/zinc/50/22/42/567502242.db2.gz OEWVTSDMDMXGLR-KRWDZBQOSA-N 1 0 393.256 3.032 20 30 GGEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000551412763 567504192 /nfs/dbraw/zinc/50/41/92/567504192.db2.gz BXSOTEFEYXTJPD-SFHVURJKSA-N 1 0 385.265 3.395 20 30 GGEDRO CCC[NH+]1CCC(NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594746041 567506541 /nfs/dbraw/zinc/50/65/41/567506541.db2.gz WSUJJRZNOCUDKU-UHFFFAOYSA-N 1 0 377.535 3.234 20 30 GGEDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594752053 567506838 /nfs/dbraw/zinc/50/68/38/567506838.db2.gz IKYFBDQNZJRGHA-OAHLLOKOSA-N 1 0 377.535 3.092 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000594757645 567508015 /nfs/dbraw/zinc/50/80/15/567508015.db2.gz HMTNNIAJJFAHDU-MLGOLLRUSA-N 1 0 377.535 3.042 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000594782589 567512006 /nfs/dbraw/zinc/51/20/06/567512006.db2.gz CXKVZPZWOUSIOW-OAHLLOKOSA-N 1 0 377.535 3.185 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000594782588 567512196 /nfs/dbraw/zinc/51/21/96/567512196.db2.gz CXKVZPZWOUSIOW-HNNXBMFYSA-N 1 0 377.535 3.185 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000594784952 567513630 /nfs/dbraw/zinc/51/36/30/567513630.db2.gz FLCFIPXHCPPQQC-UHFFFAOYSA-N 1 0 377.535 3.233 20 30 GGEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000570921406 567524235 /nfs/dbraw/zinc/52/42/35/567524235.db2.gz ZVPYRRTWQNEKOH-GOSISDBHSA-N 1 0 394.357 3.057 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000551716232 567531590 /nfs/dbraw/zinc/53/15/90/567531590.db2.gz QMLZOERTPVVPDD-SUMWQHHRSA-N 1 0 378.314 3.474 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000458337512 567541018 /nfs/dbraw/zinc/54/10/18/567541018.db2.gz QNQSPYPEHJSGNK-QGZVFWFLSA-N 1 0 393.329 3.341 20 30 GGEDRO CC[NH2+]CC1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000595107384 567542211 /nfs/dbraw/zinc/54/22/11/567542211.db2.gz BZEGVMWDHSWYCT-UHFFFAOYSA-N 1 0 377.535 3.092 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000595109326 567542331 /nfs/dbraw/zinc/54/23/31/567542331.db2.gz AONUSLXVLWYUBE-ZOWXZIJZSA-N 1 0 377.535 3.075 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000595114332 567542833 /nfs/dbraw/zinc/54/28/33/567542833.db2.gz WVLQBAKVYOKNCM-LRDDRELGSA-N 1 0 377.535 3.219 20 30 GGEDRO C=CC[NH+]1CCC(Nc2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000439162224 567568410 /nfs/dbraw/zinc/56/84/10/567568410.db2.gz YZPZMYGCPYBAAR-UHFFFAOYSA-N 1 0 379.327 3.452 20 30 GGEDRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611562 567574012 /nfs/dbraw/zinc/57/40/12/567574012.db2.gz LASOKMAJPMOIOZ-LSDHHAIUSA-N 1 0 378.314 3.422 20 30 GGEDRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611561 567574469 /nfs/dbraw/zinc/57/44/69/567574469.db2.gz LASOKMAJPMOIOZ-HUUCEWRRSA-N 1 0 378.314 3.422 20 30 GGEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000530233160 567585673 /nfs/dbraw/zinc/58/56/73/567585673.db2.gz CHRJCFUBGOHFHW-OKZBNKHCSA-N 1 0 387.277 3.206 20 30 GGEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000530231661 567586053 /nfs/dbraw/zinc/58/60/53/567586053.db2.gz SJPKPFGGBUIUJW-KSSFIOAISA-N 1 0 387.277 3.338 20 30 GGEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000530231656 567586440 /nfs/dbraw/zinc/58/64/40/567586440.db2.gz SJPKPFGGBUIUJW-KBXCAEBGSA-N 1 0 387.277 3.338 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3nc(C#N)c(Cl)s3)cc2)C[C@H](C)O1 ZINC000596077664 567606679 /nfs/dbraw/zinc/60/66/79/567606679.db2.gz AKSHVXYBOWJHTN-BETUJISGSA-N 1 0 376.913 3.311 20 30 GGEDRO C[C@@H]([NH2+]C1(CNc2nc(C#N)c(Cl)s2)CCOCC1)c1ccccc1 ZINC000596126124 567610263 /nfs/dbraw/zinc/61/02/63/567610263.db2.gz HMXTZFMIJLSWOL-CYBMUJFWSA-N 1 0 376.913 3.402 20 30 GGEDRO Cc1nc(C)c(Br)c(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000596157943 567613268 /nfs/dbraw/zinc/61/32/68/567613268.db2.gz KKBRDBKMKZBUFM-UHFFFAOYSA-N 1 0 388.313 3.296 20 30 GGEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000552836907 567613463 /nfs/dbraw/zinc/61/34/63/567613463.db2.gz ZQFBACUHVJVEEZ-KBXCAEBGSA-N 1 0 389.293 3.281 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000552854479 567613713 /nfs/dbraw/zinc/61/37/13/567613713.db2.gz QMTJNOIRIVCIOP-CYBMUJFWSA-N 1 0 381.295 3.106 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000440079278 567615965 /nfs/dbraw/zinc/61/59/65/567615965.db2.gz XFENVMPMQBNUOF-ACJLOTCBSA-N 1 0 377.897 3.181 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000622006253 567630574 /nfs/dbraw/zinc/63/05/74/567630574.db2.gz XCDOMHWXZDOUPC-KDOFPFPSSA-N 1 0 381.314 3.336 20 30 GGEDRO COc1cc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)ccc1C#N ZINC000440612260 567635667 /nfs/dbraw/zinc/63/56/67/567635667.db2.gz BQAPIMHSFFHEFN-INIZCTEOSA-N 1 0 389.293 3.270 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000480904644 567641724 /nfs/dbraw/zinc/64/17/24/567641724.db2.gz YCMLIAZHKHLBNA-ACJLOTCBSA-N 1 0 377.897 3.181 20 30 GGEDRO COc1cc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)ccc1C#N ZINC000440812213 567645855 /nfs/dbraw/zinc/64/58/55/567645855.db2.gz VBJWCZLTRLSRIA-UHFFFAOYSA-N 1 0 388.265 3.366 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000459723143 567655238 /nfs/dbraw/zinc/65/52/38/567655238.db2.gz XPYIXMISEYZFPI-UHFFFAOYSA-N 1 0 382.302 3.477 20 30 GGEDRO N#Cc1ccc(C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)c(Br)c1 ZINC000459783683 567659836 /nfs/dbraw/zinc/65/98/36/567659836.db2.gz VSNCABIYSKTIAP-UHFFFAOYSA-N 1 0 388.309 3.091 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000441408740 567665008 /nfs/dbraw/zinc/66/50/08/567665008.db2.gz LRTABNMTQYJFEL-ZDUSSCGKSA-N 1 0 381.929 3.297 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2cc(Br)sc2[nH]1 ZINC000596926127 567665818 /nfs/dbraw/zinc/66/58/18/567665818.db2.gz MMLHDCYTFCPLGQ-UHFFFAOYSA-N 1 0 383.315 3.299 20 30 GGEDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000507245239 567669482 /nfs/dbraw/zinc/66/94/82/567669482.db2.gz XIPXIXZNAVTMPV-AWEZNQCLSA-N 1 0 377.897 3.149 20 30 GGEDRO N#CCC[C@H](C#N)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000572945161 567677122 /nfs/dbraw/zinc/67/71/22/567677122.db2.gz XRRZWKSNTYYAOW-MRXNPFEDSA-N 1 0 375.314 3.447 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cncn2C)cc1OC ZINC000623086848 567684259 /nfs/dbraw/zinc/68/42/59/567684259.db2.gz NOWWOTFDQDXAEL-UHFFFAOYSA-N 1 0 380.286 3.088 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H](C(=O)OC)C2)cc1OC ZINC000597217898 567689565 /nfs/dbraw/zinc/68/95/65/567689565.db2.gz IZHLXCJKLJJPLK-BETUJISGSA-N 1 0 384.270 3.064 20 30 GGEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000597230661 567691106 /nfs/dbraw/zinc/69/11/06/567691106.db2.gz HRSIXAXIJOHYJJ-QGZVFWFLSA-N 1 0 384.281 3.474 20 30 GGEDRO N#Cc1cc(Cl)c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000597620124 567708525 /nfs/dbraw/zinc/70/85/25/567708525.db2.gz MOCOZSHKOWQUQD-AWEZNQCLSA-N 1 0 382.291 3.192 20 30 GGEDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442944935 567719316 /nfs/dbraw/zinc/71/93/16/567719316.db2.gz RTEVNIGUUPLYHN-UHFFFAOYSA-N 1 0 375.416 3.470 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443010995 567722736 /nfs/dbraw/zinc/72/27/36/567722736.db2.gz GAICZSRCMVYIIG-JKIFEVAISA-N 1 0 381.929 3.238 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443010991 567723023 /nfs/dbraw/zinc/72/30/23/567723023.db2.gz GAICZSRCMVYIIG-CPUCHLNUSA-N 1 0 381.929 3.238 20 30 GGEDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000443024452 567724264 /nfs/dbraw/zinc/72/42/64/567724264.db2.gz ILFXADKRNFNBNO-UHFFFAOYSA-N 1 0 377.897 3.142 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443095820 567731343 /nfs/dbraw/zinc/73/13/43/567731343.db2.gz HEZCMPOEQLZYJL-GASCZTMLSA-N 1 0 383.945 3.248 20 30 GGEDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443121826 567734383 /nfs/dbraw/zinc/73/43/83/567734383.db2.gz SKSUQDWBWQKSGS-UHFFFAOYSA-N 1 0 383.945 3.344 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598221939 567749234 /nfs/dbraw/zinc/74/92/34/567749234.db2.gz ZCLRLPWNXIXMJA-HNNXBMFYSA-N 1 0 376.298 3.458 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000443349628 567750924 /nfs/dbraw/zinc/75/09/24/567750924.db2.gz VGTQRXDEFSAWDT-YPMHNXCESA-N 1 0 381.295 3.473 20 30 GGEDRO N#Cc1cnn2cc(C[NH2+][C@H]3C[C@H](c4ccc(Br)cc4)C3)cnc12 ZINC000574040461 567752182 /nfs/dbraw/zinc/75/21/82/567752182.db2.gz KYPZTLSOQKQXKR-CZIWCDLHSA-N 1 0 382.265 3.399 20 30 GGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000462044097 567761945 /nfs/dbraw/zinc/76/19/45/567761945.db2.gz DKOYBCCHQPAHGQ-HUUCEWRRSA-N 1 0 389.277 3.365 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598544493 567774670 /nfs/dbraw/zinc/77/46/70/567774670.db2.gz YKTWTEZNJWKCFX-UHFFFAOYSA-N 1 0 376.298 3.173 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000598594942 567778719 /nfs/dbraw/zinc/77/87/19/567778719.db2.gz OSIDQPYREMLVCN-MRXNPFEDSA-N 1 0 381.314 3.345 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cc2c(cc1Br)OCCO2 ZINC000598603494 567778932 /nfs/dbraw/zinc/77/89/32/567778932.db2.gz USFCPTOAGOFPGZ-NWDGAFQWSA-N 1 0 383.286 3.172 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Br)cc1OCCCO ZINC000598620101 567779817 /nfs/dbraw/zinc/77/98/17/567779817.db2.gz YJAXGEUZECCLLR-ZFWWWQNUSA-N 1 0 399.329 3.162 20 30 GGEDRO COC(=O)C[C@](C)([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000598617452 567780565 /nfs/dbraw/zinc/78/05/65/567780565.db2.gz ROAOKIPJWKXCOJ-YJBOKZPZSA-N 1 0 397.313 3.118 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000598700372 567783539 /nfs/dbraw/zinc/78/35/39/567783539.db2.gz MEWBKDNEXWLHFQ-KRWDZBQOSA-N 1 0 395.341 3.388 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000598722774 567785675 /nfs/dbraw/zinc/78/56/75/567785675.db2.gz ASCUYAOVZNMUJN-MRXNPFEDSA-N 1 0 377.286 3.025 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3CC[NH2+][C@H]3C2)cc1OC ZINC000647533001 567789139 /nfs/dbraw/zinc/78/91/39/567789139.db2.gz JKGRVJVXKQMKKJ-ZBFHGGJFSA-N 1 0 381.314 3.206 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ncc(Br)cc3F)CC2)nc1 ZINC000598960253 567800851 /nfs/dbraw/zinc/80/08/51/567800851.db2.gz CTMAPHCYOYFVME-UHFFFAOYSA-N 1 0 390.260 3.008 20 30 GGEDRO C=C(C)COCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000574869043 567801481 /nfs/dbraw/zinc/80/14/81/567801481.db2.gz KSWYHHLDGSCQBT-ZDUSSCGKSA-N 1 0 378.694 3.025 20 30 GGEDRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cccc(C#N)c2)CC1 ZINC000534309532 567807628 /nfs/dbraw/zinc/80/76/28/567807628.db2.gz TWOKURCCCREYMP-UHFFFAOYSA-N 1 0 399.292 3.325 20 30 GGEDRO C#CC[C@@]1(C(=O)NCc2cccc(C[NH+](C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000225471869 570456171 /nfs/dbraw/zinc/45/61/71/570456171.db2.gz LZCMOIVXBNDODP-QHCPKHFHSA-N 1 0 399.535 3.157 20 30 GGEDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000036391728 570674766 /nfs/dbraw/zinc/67/47/66/570674766.db2.gz UMXZHSKIJGXQOE-LAUBAEHRSA-N 1 0 382.460 3.152 20 30 GGEDRO CC[NH+]1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)CC1 ZINC000032932652 570945654 /nfs/dbraw/zinc/94/56/54/570945654.db2.gz MQCJKRWKLPLGEE-UHFFFAOYSA-N 1 0 379.464 3.216 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000819745642 599386419 /nfs/dbraw/zinc/38/64/19/599386419.db2.gz NJYZRJWQZXFCFG-GJZGRUSLSA-N 1 0 396.520 3.182 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)ccc1OC ZINC000819722377 599457626 /nfs/dbraw/zinc/45/76/26/599457626.db2.gz HYLQIXOFNKDNJF-UHFFFAOYSA-N 1 0 383.427 3.259 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000736813364 600593489 /nfs/dbraw/zinc/59/34/89/600593489.db2.gz DJAQSZWXJXPOQN-YVHKJVDXSA-N 1 0 393.487 3.083 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000828455695 601299367 /nfs/dbraw/zinc/29/93/67/601299367.db2.gz FFNLIDRWZWKEGJ-YVHKJVDXSA-N 1 0 393.487 3.083 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)ccc1OC ZINC000823878074 607567031 /nfs/dbraw/zinc/56/70/31/607567031.db2.gz NOLRQNQXOSJUML-UHFFFAOYSA-N 1 0 395.463 3.129 20 30 GGEDRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000826168541 608356880 /nfs/dbraw/zinc/35/68/80/608356880.db2.gz QIDDXIGMGAPCPA-UHFFFAOYSA-N 1 0 376.464 3.405 20 30 GGEDRO Clc1cc(-c2nn[nH]n2)cc(N=NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000826350412 608537536 /nfs/dbraw/zinc/53/75/36/608537536.db2.gz VGNIJAWSRNYUGO-UHFFFAOYSA-N 1 0 396.886 3.022 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824984548 608542294 /nfs/dbraw/zinc/54/22/94/608542294.db2.gz LIDVJNHSCDZKKZ-CYBMUJFWSA-N 1 0 396.886 3.225 20 30 GGEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(-c2nn[nH]n2)cc1F ZINC000824604715 609330573 /nfs/dbraw/zinc/33/05/73/609330573.db2.gz DDJCRCSKEUJEEO-ZDUSSCGKSA-N 1 0 382.468 3.461 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053304008 1406359124 /nfs/dbraw/zinc/35/91/24/1406359124.db2.gz MYTLVQNHSUCFMQ-CALCHBBNSA-N 1 0 387.572 3.219 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000053304010 1406359794 /nfs/dbraw/zinc/35/97/94/1406359794.db2.gz MYTLVQNHSUCFMQ-IAGOWNOFSA-N 1 0 387.572 3.219 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000053420494 1406391811 /nfs/dbraw/zinc/39/18/11/1406391811.db2.gz PGLJNGNQTYHVCR-GCJKJVERSA-N 1 0 392.503 3.429 20 30 GGEDRO COc1ccccc1OCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000053709867 1406484291 /nfs/dbraw/zinc/48/42/91/1406484291.db2.gz NYPXSBGEMOLZLK-UHFFFAOYSA-N 1 0 399.516 3.456 20 30 GGEDRO N#Cc1cccc(OCC[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000054223458 1406658324 /nfs/dbraw/zinc/65/83/24/1406658324.db2.gz OBEWZDWDKROMML-UHFFFAOYSA-N 1 0 384.867 3.336 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000054338139 1406695395 /nfs/dbraw/zinc/69/53/95/1406695395.db2.gz XDHKMEDUSKIHGP-GMAHTHKFSA-N 1 0 380.488 3.174 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc2c(c1)OCO2 ZINC000054427360 1406731694 /nfs/dbraw/zinc/73/16/94/1406731694.db2.gz VEMQHMZDRJXUKM-UHFFFAOYSA-N 1 0 383.473 3.298 20 30 GGEDRO Cc1cccc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054454788 1406741477 /nfs/dbraw/zinc/74/14/77/1406741477.db2.gz GSPMQAXXHNCTGJ-LJQANCHMSA-N 1 0 376.504 3.402 20 30 GGEDRO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054643134 1406794153 /nfs/dbraw/zinc/79/41/53/1406794153.db2.gz SDCXNNIXHRBMOU-HXUWFJFHSA-N 1 0 390.531 3.286 20 30 GGEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000054940230 1406853983 /nfs/dbraw/zinc/85/39/83/1406853983.db2.gz WHYJSJGQFXQOKI-KSSFIOAISA-N 1 0 396.878 3.102 20 30 GGEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000054940232 1406854416 /nfs/dbraw/zinc/85/44/16/1406854416.db2.gz WHYJSJGQFXQOKI-KDOFPFPSSA-N 1 0 396.878 3.102 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000054947153 1406856302 /nfs/dbraw/zinc/85/63/02/1406856302.db2.gz VXCCPAYXYZZWJE-ZIAGYGMSSA-N 1 0 390.915 3.023 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1cccc(C)c1 ZINC000055009861 1406869889 /nfs/dbraw/zinc/86/98/89/1406869889.db2.gz MSBYLYPLCSRQHM-UHFFFAOYSA-O 1 0 383.493 3.158 20 30 GGEDRO CCOC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC(C)C)[n+]2ccccc2)c1C ZINC000055009805 1406869922 /nfs/dbraw/zinc/86/99/22/1406869922.db2.gz ABXVMGMUNNVADB-UHFFFAOYSA-O 1 0 388.513 3.033 20 30 GGEDRO CC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccccc1 ZINC000055014146 1406871272 /nfs/dbraw/zinc/87/12/72/1406871272.db2.gz AIRXYAMAVOERIR-UHFFFAOYSA-O 1 0 382.509 3.186 20 30 GGEDRO COc1cccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(N(C)C)cc2)c1 ZINC000055014265 1406871385 /nfs/dbraw/zinc/87/13/85/1406871385.db2.gz MAJGTURQCWOMGR-UHFFFAOYSA-O 1 0 386.541 3.376 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000055134942 1406891698 /nfs/dbraw/zinc/89/16/98/1406891698.db2.gz YFWDSOVISFFTOT-UHFFFAOYSA-N 1 0 398.466 3.495 20 30 GGEDRO COc1ccc([C@H](CNC(=O)NCC#Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000055291317 1406922223 /nfs/dbraw/zinc/92/22/23/1406922223.db2.gz TVZQJGXSIHMCGB-QFIPXVFZSA-N 1 0 377.488 3.183 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)NCC#Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000055291316 1406922057 /nfs/dbraw/zinc/92/20/57/1406922057.db2.gz TVZQJGXSIHMCGB-JOCHJYFZSA-N 1 0 377.488 3.183 20 30 GGEDRO COc1ccc([C@H](C/N=C/c2c(CO)cnc(C)c2O)[NH+]2CCCCC2)cc1 ZINC000005110859 1398415441 /nfs/dbraw/zinc/41/54/41/1398415441.db2.gz HMAISRRLTMTTBY-DUYDGHCJSA-N 1 0 383.492 3.243 20 30 GGEDRO N#Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000007492120 1398689673 /nfs/dbraw/zinc/68/96/73/1398689673.db2.gz WHUSISLUPAEFEJ-UHFFFAOYSA-N 1 0 383.879 3.371 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000055471984 1406974505 /nfs/dbraw/zinc/97/45/05/1406974505.db2.gz DMVUZZZOBNRWIB-NRFANRHFSA-N 1 0 378.472 3.087 20 30 GGEDRO COc1ccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000010745155 1398916549 /nfs/dbraw/zinc/91/65/49/1398916549.db2.gz IJAFRMPDEBUJEN-QFIPXVFZSA-N 1 0 377.488 3.453 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000010917494 1398932221 /nfs/dbraw/zinc/93/22/21/1398932221.db2.gz UOXFMUSIJRZABA-NRFANRHFSA-N 1 0 381.476 3.145 20 30 GGEDRO COc1cc(/C=C/C(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1OCC#N ZINC000015536828 1399170149 /nfs/dbraw/zinc/17/01/49/1399170149.db2.gz DXJKHPLFKYIQIP-MNDMWVCDSA-N 1 0 385.489 3.091 20 30 GGEDRO COc1cc(/C=C/C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1OCC#N ZINC000015918969 1399200689 /nfs/dbraw/zinc/20/06/89/1399200689.db2.gz JSTJDSLVZWNXOC-FMAYLGMYSA-N 1 0 379.460 3.030 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000017911442 1399294502 /nfs/dbraw/zinc/29/45/02/1399294502.db2.gz OKSJCJPTFMTSQY-HTAPYJJXSA-N 1 0 393.487 3.287 20 30 GGEDRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406098 1399378390 /nfs/dbraw/zinc/37/83/90/1399378390.db2.gz UTSLMPNMCWMVOU-KRWDZBQOSA-N 1 0 380.467 3.232 20 30 GGEDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021404906 1399378534 /nfs/dbraw/zinc/37/85/34/1399378534.db2.gz LEOJDWFZYKUWEB-UHFFFAOYSA-N 1 0 380.448 3.183 20 30 GGEDRO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406190 1399378950 /nfs/dbraw/zinc/37/89/50/1399378950.db2.gz CULJUMFZHZKXJI-INIZCTEOSA-N 1 0 398.457 3.371 20 30 GGEDRO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406233 1399379168 /nfs/dbraw/zinc/37/91/68/1399379168.db2.gz QPXHIDMKGUMZBP-INIZCTEOSA-N 1 0 398.457 3.371 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccccc1CC ZINC000022687323 1399491597 /nfs/dbraw/zinc/49/15/97/1399491597.db2.gz MJRZFJKZEHPQAE-UHFFFAOYSA-O 1 0 384.525 3.398 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022687743 1399491781 /nfs/dbraw/zinc/49/17/81/1399491781.db2.gz VGFFAPNSTZTQDN-UHFFFAOYSA-O 1 0 384.525 3.153 20 30 GGEDRO O=C(c1ccccc1)C(C(=S)NCCc1ccccc1)[n+]1cccc(CO)c1 ZINC000022735071 1399496378 /nfs/dbraw/zinc/49/63/78/1399496378.db2.gz UEABLJPSXBQBEW-UHFFFAOYSA-O 1 0 391.516 3.238 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Cl)s1)C(=S)NCCOC ZINC000022792837 1399504232 /nfs/dbraw/zinc/50/42/32/1399504232.db2.gz YRWJVMGPRIVEGY-UHFFFAOYSA-O 1 0 383.946 3.426 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NCCOC)[n+]2ccccc2CC)cc1 ZINC000022793969 1399504365 /nfs/dbraw/zinc/50/43/65/1399504365.db2.gz XGNZGRCGHLEXOT-UHFFFAOYSA-O 1 0 387.525 3.110 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(CO)c1 ZINC000022798108 1399505037 /nfs/dbraw/zinc/50/50/37/1399505037.db2.gz RLNCLLOTTAXXOA-UHFFFAOYSA-O 1 0 381.521 3.060 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(N(C)C)cc1 ZINC000022805020 1399506564 /nfs/dbraw/zinc/50/65/64/1399506564.db2.gz JJUYATJRYUSWJH-UHFFFAOYSA-O 1 0 378.468 3.257 20 30 GGEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(=O)OCC)c1C)[n+]1ccccc1 ZINC000022805694 1399506595 /nfs/dbraw/zinc/50/65/95/1399506595.db2.gz SIBBUJZGFYSVRF-UHFFFAOYSA-O 1 0 388.513 3.034 20 30 GGEDRO CN(C(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1(C#N)CCCCC1 ZINC000022850999 1399511058 /nfs/dbraw/zinc/51/10/58/1399511058.db2.gz UXJNEGNXWGRHFZ-UHFFFAOYSA-N 1 0 386.515 3.018 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023604094 1399573503 /nfs/dbraw/zinc/57/35/03/1399573503.db2.gz VIAKAIMBEGBJCF-UHFFFAOYSA-O 1 0 394.520 3.140 20 30 GGEDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000023674807 1399579076 /nfs/dbraw/zinc/57/90/76/1399579076.db2.gz YSFKRPFXHPQBQC-GCJKJVERSA-N 1 0 382.460 3.056 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3nc4ccccc4o3)CC2)cc1 ZINC000023753173 1399583222 /nfs/dbraw/zinc/58/32/22/1399583222.db2.gz KCXSKJCSDCALDM-UHFFFAOYSA-N 1 0 388.471 3.367 20 30 GGEDRO N#Cc1ccc(OCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000025183851 1399764119 /nfs/dbraw/zinc/76/41/19/1399764119.db2.gz LLQUUPXHZFVSRU-UHFFFAOYSA-N 1 0 375.472 3.494 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000025237996 1399777909 /nfs/dbraw/zinc/77/79/09/1399777909.db2.gz BSYANWIWYFHRMM-QFBILLFUSA-N 1 0 390.487 3.290 20 30 GGEDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c(OC)c1 ZINC000025301344 1399791713 /nfs/dbraw/zinc/79/17/13/1399791713.db2.gz OOLWXRFYRNNNGE-XMSQKQJNSA-N 1 0 396.487 3.347 20 30 GGEDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c(OC)c1 ZINC000025301341 1399792182 /nfs/dbraw/zinc/79/21/82/1399792182.db2.gz OOLWXRFYRNNNGE-GCJKJVERSA-N 1 0 396.487 3.347 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025460517 1399810982 /nfs/dbraw/zinc/81/09/82/1399810982.db2.gz MGUFLGXCFHQZEU-QGZVFWFLSA-N 1 0 377.488 3.279 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025460523 1399811122 /nfs/dbraw/zinc/81/11/22/1399811122.db2.gz MGUFLGXCFHQZEU-KRWDZBQOSA-N 1 0 377.488 3.279 20 30 GGEDRO CC(C)[C@H](CNC(=O)COc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025536498 1399817581 /nfs/dbraw/zinc/81/75/81/1399817581.db2.gz IJZRBAWSOJKIBT-QFIPXVFZSA-N 1 0 377.488 3.136 20 30 GGEDRO C=CCOc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000025864396 1399842366 /nfs/dbraw/zinc/84/23/66/1399842366.db2.gz DBWQWMJYFWLLTI-UHFFFAOYSA-N 1 0 379.504 3.194 20 30 GGEDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000026143839 1399864296 /nfs/dbraw/zinc/86/42/96/1399864296.db2.gz KZSOIRCOEBRXHN-FQEVSTJZSA-N 1 0 377.492 3.436 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000026228652 1399871513 /nfs/dbraw/zinc/87/15/13/1399871513.db2.gz AOMKNBVPTNRAAZ-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO CCOc1ccc(CN2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000026340758 1399880104 /nfs/dbraw/zinc/88/01/04/1399880104.db2.gz JMKDUOFHZQWBOD-UHFFFAOYSA-N 1 0 392.503 3.103 20 30 GGEDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1OC(F)F ZINC000026453359 1399891702 /nfs/dbraw/zinc/89/17/02/1399891702.db2.gz YKULSWIPXLLSNJ-INIZCTEOSA-N 1 0 392.402 3.040 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc(C)cc1 ZINC000027311355 1400018392 /nfs/dbraw/zinc/01/83/92/1400018392.db2.gz QSMJRKTVKDXLGE-UHFFFAOYSA-O 1 0 385.509 3.404 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccccc1 ZINC000027309953 1400018485 /nfs/dbraw/zinc/01/84/85/1400018485.db2.gz QBYMGYLFOFYKGG-UHFFFAOYSA-O 1 0 394.520 3.205 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1cccc(CO)c1 ZINC000027324781 1400019996 /nfs/dbraw/zinc/01/99/96/1400019996.db2.gz KNLSCAWTFWUONO-UHFFFAOYSA-O 1 0 387.525 3.194 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccccc3F)CC2)cc1 ZINC000027358851 1400026073 /nfs/dbraw/zinc/02/60/73/1400026073.db2.gz UYURCDIYTHNNJZ-UHFFFAOYSA-N 1 0 380.467 3.157 20 30 GGEDRO CSCCCNC(=S)C(C(=O)c1ccccc1)[n+]1ccc(N(C)C)cc1 ZINC000027480906 1400046533 /nfs/dbraw/zinc/04/65/33/1400046533.db2.gz OZKXINVNDPVRQD-UHFFFAOYSA-O 1 0 388.582 3.322 20 30 GGEDRO N#CCSc1ccccc1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000027576267 1400061068 /nfs/dbraw/zinc/06/10/68/1400061068.db2.gz PZSMCFAZVCOXHW-UHFFFAOYSA-N 1 0 394.544 3.101 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)COc2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000027667819 1400073547 /nfs/dbraw/zinc/07/35/47/1400073547.db2.gz APMPIPPHJRPUGS-OAQYLSRUSA-N 1 0 393.487 3.289 20 30 GGEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)C2=O)cc1 ZINC000028749673 1400191244 /nfs/dbraw/zinc/19/12/44/1400191244.db2.gz FKOZJFAMTHFYQT-WIYYLYMNSA-N 1 0 388.471 3.014 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1cccc(CO)c1 ZINC000028776845 1400194542 /nfs/dbraw/zinc/19/45/42/1400194542.db2.gz ZKAPFWAQFCQEHG-UHFFFAOYSA-O 1 0 383.537 3.478 20 30 GGEDRO CCNC(=S)C(C(=O)c1ccc(OC(F)F)cc1)[n+]1ccc(N(C)C)cc1 ZINC000028777032 1400194632 /nfs/dbraw/zinc/19/46/32/1400194632.db2.gz ATTIAHNNGUXBBR-UHFFFAOYSA-O 1 0 394.467 3.190 20 30 GGEDRO C=CCn1c(=S)n(CN2CCN(c3cc[nH+]cc3)CC2)nc1-c1ccco1 ZINC000028785889 1400196080 /nfs/dbraw/zinc/19/60/80/1400196080.db2.gz BKFCMBAMHXEVFL-UHFFFAOYSA-N 1 0 382.493 3.035 20 30 GGEDRO N#Cc1ccc(NC(=O)CCN2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000028886804 1400207626 /nfs/dbraw/zinc/20/76/26/1400207626.db2.gz MCYXHQLDUNKXMZ-UHFFFAOYSA-N 1 0 388.924 3.420 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3ccsc3)CC2)cc1Cl ZINC000028890469 1400208072 /nfs/dbraw/zinc/20/80/72/1400208072.db2.gz UHLCJBYUZNQHHA-UHFFFAOYSA-N 1 0 388.924 3.420 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000028961863 1400217174 /nfs/dbraw/zinc/21/71/74/1400217174.db2.gz DFOMOQJYUHJDBT-HSZRJFAPSA-N 1 0 388.515 3.086 20 30 GGEDRO N#Cc1cc([N+](=O)[O-])ccc1NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000029170797 1400252934 /nfs/dbraw/zinc/25/29/34/1400252934.db2.gz BEIODTAHYBTODV-UHFFFAOYSA-N 1 0 379.464 3.086 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000029374653 1400289824 /nfs/dbraw/zinc/28/98/24/1400289824.db2.gz QQQTZKGJOQESEI-SFHVURJKSA-N 1 0 392.503 3.415 20 30 GGEDRO Cc1cccc(C(=O)N2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000029851322 1400363900 /nfs/dbraw/zinc/36/39/00/1400363900.db2.gz LKJFSDMZMZCTLZ-UHFFFAOYSA-N 1 0 390.487 3.043 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000055900760 1407125161 /nfs/dbraw/zinc/12/51/61/1407125161.db2.gz JWNFBBUQUVOXDN-UHFFFAOYSA-N 1 0 394.475 3.443 20 30 GGEDRO C[NH+]1CCN(c2ccc(NC(=O)C#Cc3ccccc3)c(C(F)(F)F)c2)CC1 ZINC000176270531 1428210589 /nfs/dbraw/zinc/21/05/89/1428210589.db2.gz KSZHLDZWLLEQSA-UHFFFAOYSA-N 1 0 387.405 3.447 20 30 GGEDRO COc1ccc(NC(=O)CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000055903234 1407126683 /nfs/dbraw/zinc/12/66/83/1407126683.db2.gz QDHXJEKGBQVZGJ-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000055933466 1407138121 /nfs/dbraw/zinc/13/81/21/1407138121.db2.gz XXNQKAVOKFWVOT-OAHLLOKOSA-N 1 0 388.581 3.489 20 30 GGEDRO CC(C)(C)CC[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000055934033 1407139326 /nfs/dbraw/zinc/13/93/26/1407139326.db2.gz PMRJKHMADGYUKI-UHFFFAOYSA-N 1 0 388.581 3.491 20 30 GGEDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055986500 1407159080 /nfs/dbraw/zinc/15/90/80/1407159080.db2.gz PLKMBEPRDDGKPR-UHFFFAOYSA-N 1 0 397.422 3.117 20 30 GGEDRO Cc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000056065765 1407189161 /nfs/dbraw/zinc/18/91/61/1407189161.db2.gz PKWFSOOGOWAFMO-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056171885 1407239560 /nfs/dbraw/zinc/23/95/60/1407239560.db2.gz ZHNBFTJHGXDEIF-HZPDHXFCSA-N 1 0 397.475 3.270 20 30 GGEDRO CC1(C)CC(NC(=O)N2CCCN(c3ccccc3C#N)CC2)CC(C)(C)[NH2+]1 ZINC000042909202 1403672706 /nfs/dbraw/zinc/67/27/06/1403672706.db2.gz XSDUIRBJEFBANI-UHFFFAOYSA-N 1 0 383.540 3.089 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C)nn1-c1ccccn1)C(C)C ZINC000043723879 1403807565 /nfs/dbraw/zinc/80/75/65/1403807565.db2.gz ZJRRZVJKSLQMDO-SFHVURJKSA-N 1 0 382.512 3.396 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)CCN2C(C)=O)C(C)C ZINC000043825832 1403823197 /nfs/dbraw/zinc/82/31/97/1403823197.db2.gz CYSOILLWFPEUET-OAQYLSRUSA-N 1 0 384.524 3.416 20 30 GGEDRO CN(C)c1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000044081579 1403872260 /nfs/dbraw/zinc/87/22/60/1403872260.db2.gz JUBWJXCLZVDYBJ-UHFFFAOYSA-N 1 0 377.492 3.364 20 30 GGEDRO N#CCSCC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044519208 1403942621 /nfs/dbraw/zinc/94/26/21/1403942621.db2.gz JUHJQEBRIYENIQ-UHFFFAOYSA-N 1 0 394.544 3.200 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCC(=O)N3)C(=S)NC(C)C)c1 ZINC000044557229 1403950585 /nfs/dbraw/zinc/95/05/85/1403950585.db2.gz OFOZGBFTWHBFCV-UHFFFAOYSA-O 1 0 382.509 3.104 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCOC1CCCCC1 ZINC000045148392 1404063058 /nfs/dbraw/zinc/06/30/58/1404063058.db2.gz MVVCGJCYZLYIOT-UHFFFAOYSA-N 1 0 386.540 3.371 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOc3cccc(F)c3)CC2)cc1 ZINC000045243617 1404081906 /nfs/dbraw/zinc/08/19/06/1404081906.db2.gz QKNSPUUWKUACLX-UHFFFAOYSA-N 1 0 381.451 3.201 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOc3ccc(F)cc3)CC2)cc1 ZINC000045336693 1404100345 /nfs/dbraw/zinc/10/03/45/1404100345.db2.gz ZETIIYMILNQLDZ-UHFFFAOYSA-N 1 0 381.451 3.201 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000045696863 1404180203 /nfs/dbraw/zinc/18/02/03/1404180203.db2.gz CQKQTKUVTOSONB-GOSISDBHSA-N 1 0 376.460 3.238 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(Cl)c(C(N)=O)c1)C(C)C ZINC000045702173 1404182204 /nfs/dbraw/zinc/18/22/04/1404182204.db2.gz YQCIBSWAMICPJQ-KRWDZBQOSA-N 1 0 378.904 3.259 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000045864344 1404227513 /nfs/dbraw/zinc/22/75/13/1404227513.db2.gz AOBLWEFTEHRIMS-UHFFFAOYSA-N 1 0 394.544 3.149 20 30 GGEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NCc1cccc(C#N)c1 ZINC000046040726 1404282585 /nfs/dbraw/zinc/28/25/85/1404282585.db2.gz UIELJONKOCPRSL-UHFFFAOYSA-N 1 0 380.492 3.278 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nn(C(C)C)c(=O)c2ccccc21)C(C)C ZINC000046049462 1404285371 /nfs/dbraw/zinc/28/53/71/1404285371.db2.gz ZZSXSHYOWKRCRT-HXUWFJFHSA-N 1 0 396.535 3.406 20 30 GGEDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccccc2-c2ccccc2C#N)C[C@@H](C)O1 ZINC000046327664 1404365056 /nfs/dbraw/zinc/36/50/56/1404365056.db2.gz QWHHUYRURSZMIM-QZTJIDSGSA-N 1 0 377.488 3.454 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccsc1 ZINC000046346199 1404376659 /nfs/dbraw/zinc/37/66/59/1404376659.db2.gz XXQMFJDRBOXZND-HXUWFJFHSA-N 1 0 397.548 3.144 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046403676 1404400704 /nfs/dbraw/zinc/40/07/04/1404400704.db2.gz GTNLFXIVNNRELE-QGZVFWFLSA-N 1 0 378.476 3.106 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046403675 1404400962 /nfs/dbraw/zinc/40/09/62/1404400962.db2.gz GTNLFXIVNNRELE-KRWDZBQOSA-N 1 0 378.476 3.106 20 30 GGEDRO Cc1nc(SCC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C#N)c(C)c1C ZINC000046437368 1404415702 /nfs/dbraw/zinc/41/57/02/1404415702.db2.gz YSLDHFKCXGNQPX-KRWDZBQOSA-N 1 0 388.562 3.451 20 30 GGEDRO Cc1nc(SCC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C#N)c(C)c1C ZINC000046437369 1404415922 /nfs/dbraw/zinc/41/59/22/1404415922.db2.gz YSLDHFKCXGNQPX-QGZVFWFLSA-N 1 0 388.562 3.451 20 30 GGEDRO COc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000046504059 1404449365 /nfs/dbraw/zinc/44/93/65/1404449365.db2.gz YXYMQNQIZVBAKO-UHFFFAOYSA-N 1 0 391.471 3.490 20 30 GGEDRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)Cc1ccc(C#N)cc1 ZINC000046529947 1404465479 /nfs/dbraw/zinc/46/54/79/1404465479.db2.gz ZAHLIHOXTNXKJT-IBGZPJMESA-N 1 0 390.531 3.159 20 30 GGEDRO CC1CC[NH+](CCCCNC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000046736905 1404573402 /nfs/dbraw/zinc/57/34/02/1404573402.db2.gz ITPGOXSHHVVLGS-UHFFFAOYSA-N 1 0 397.567 3.292 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000046739037 1404574498 /nfs/dbraw/zinc/57/44/98/1404574498.db2.gz GGDZQHHEKPEXRQ-SFHVURJKSA-N 1 0 397.475 3.272 20 30 GGEDRO C[C@H]1CCCC[C@@H]1OCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000046830672 1404606006 /nfs/dbraw/zinc/60/60/06/1404606006.db2.gz KNQHYBVYXZNUNG-RXVVDRJESA-N 1 0 386.540 3.227 20 30 GGEDRO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046831543 1404606079 /nfs/dbraw/zinc/60/60/79/1404606079.db2.gz OZTHNBNNWIWIQK-KNQAVFIVSA-N 1 0 398.551 3.371 20 30 GGEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000046904774 1404630040 /nfs/dbraw/zinc/63/00/40/1404630040.db2.gz WLRBGTMWWYFDJI-UHFFFAOYSA-N 1 0 390.531 3.358 20 30 GGEDRO COc1cccc(CO[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000047011571 1404673689 /nfs/dbraw/zinc/67/36/89/1404673689.db2.gz VNTKBIBSCUXKNX-SFHVURJKSA-N 1 0 395.503 3.062 20 30 GGEDRO COc1cccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1OC ZINC000047011354 1404674468 /nfs/dbraw/zinc/67/44/68/1404674468.db2.gz PXCLOTWXIGUEJQ-UHFFFAOYSA-N 1 0 395.503 3.098 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(OC(F)F)cc1 ZINC000047011716 1404675026 /nfs/dbraw/zinc/67/50/26/1404675026.db2.gz PQWKAMBRIMYKCG-UHFFFAOYSA-N 1 0 387.430 3.293 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)nc1 ZINC000047234344 1404761022 /nfs/dbraw/zinc/76/10/22/1404761022.db2.gz HVJZAXFYQFBTND-UHFFFAOYSA-N 1 0 376.382 3.176 20 30 GGEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000047262297 1404774120 /nfs/dbraw/zinc/77/41/20/1404774120.db2.gz AYYIQUWZGVBARQ-MRXNPFEDSA-N 1 0 384.867 3.336 20 30 GGEDRO N#Cc1ccc(NC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000047333745 1404809664 /nfs/dbraw/zinc/80/96/64/1404809664.db2.gz PAHZGZLZSNKPGK-UHFFFAOYSA-N 1 0 391.519 3.278 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1C#N ZINC000047405525 1404828308 /nfs/dbraw/zinc/82/83/08/1404828308.db2.gz UJCYNIRMBZMNFY-KRWDZBQOSA-N 1 0 396.491 3.057 20 30 GGEDRO CCC[N@H+](CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccc(C#N)cc1 ZINC000047740320 1404913648 /nfs/dbraw/zinc/91/36/48/1404913648.db2.gz LEZVIHBGEXFVCC-UHFFFAOYSA-N 1 0 396.560 3.176 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(N2CCNC2=O)c1)C(C)C ZINC000047892812 1404986855 /nfs/dbraw/zinc/98/68/55/1404986855.db2.gz UUIVIJMRNJDKRR-LJQANCHMSA-N 1 0 385.512 3.036 20 30 GGEDRO C[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000048125546 1405065591 /nfs/dbraw/zinc/06/55/91/1405065591.db2.gz PQIIYHFEESICJB-UHFFFAOYSA-N 1 0 377.448 3.026 20 30 GGEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000048126200 1405066444 /nfs/dbraw/zinc/06/64/44/1405066444.db2.gz QVZOOVCWUGLUJD-KRWDZBQOSA-N 1 0 391.475 3.274 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000048159569 1405078707 /nfs/dbraw/zinc/07/87/07/1405078707.db2.gz BVJZLESCMYJHSU-UHFFFAOYSA-N 1 0 380.492 3.246 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000048160439 1405078883 /nfs/dbraw/zinc/07/88/83/1405078883.db2.gz YJTCJMHBQPXCLV-QGZVFWFLSA-N 1 0 392.503 3.171 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccnc1N1CCCC1 ZINC000048171542 1405085023 /nfs/dbraw/zinc/08/50/23/1405085023.db2.gz VVWOHBSDJZSOOV-UHFFFAOYSA-N 1 0 392.507 3.149 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NCC#Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000048415584 1405183160 /nfs/dbraw/zinc/18/31/60/1405183160.db2.gz SJRZVHJRYAZZRX-BGYRXZFFSA-N 1 0 391.515 3.147 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000048827242 1405300804 /nfs/dbraw/zinc/30/08/04/1405300804.db2.gz GRLDHXGTPLYNRT-HDICACEKSA-N 1 0 392.503 3.167 20 30 GGEDRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000048828159 1405301101 /nfs/dbraw/zinc/30/11/01/1405301101.db2.gz ZKESRIXJIGNCLI-SFHVURJKSA-N 1 0 396.516 3.148 20 30 GGEDRO CC(C)C[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000049969503 1405437793 /nfs/dbraw/zinc/43/77/93/1405437793.db2.gz KRBMJECWZFMYGT-UHFFFAOYSA-N 1 0 388.581 3.491 20 30 GGEDRO N#Cc1ccc(NCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000050026369 1405455248 /nfs/dbraw/zinc/45/52/48/1405455248.db2.gz BZQSRVWIUFNTKX-UHFFFAOYSA-N 1 0 382.895 3.404 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)CC1 ZINC000050026509 1405455389 /nfs/dbraw/zinc/45/53/89/1405455389.db2.gz NVFAIHNJSCKHJZ-UHFFFAOYSA-N 1 0 385.489 3.111 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000051098316 1405724544 /nfs/dbraw/zinc/72/45/44/1405724544.db2.gz HWNJCWBGHWXIGP-INIZCTEOSA-N 1 0 377.554 3.064 20 30 GGEDRO C[NH+]=C(NCc1ccnc(-n2cccn2)c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000175574509 1427819612 /nfs/dbraw/zinc/81/96/12/1427819612.db2.gz JDQVWTPXKWTJPC-IBGZPJMESA-N 1 0 392.482 3.046 20 30 GGEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC000051999508 1405895915 /nfs/dbraw/zinc/89/59/15/1405895915.db2.gz PDJVOJWEXHDAKY-UHFFFAOYSA-N 1 0 382.508 3.126 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CC[NH+](CC3CC3)CC2)sc2c1CCCCC2 ZINC000052164911 1405961910 /nfs/dbraw/zinc/96/19/10/1405961910.db2.gz HMLPBWCXSJEVAJ-UHFFFAOYSA-N 1 0 386.565 3.245 20 30 GGEDRO CN(CC1CCCCC1)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409078 1406043691 /nfs/dbraw/zinc/04/36/91/1406043691.db2.gz VVGNRSYUBAMUQL-UHFFFAOYSA-N 1 0 382.552 3.105 20 30 GGEDRO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409065 1406043818 /nfs/dbraw/zinc/04/38/18/1406043818.db2.gz SCZXLGITMSZJBU-UGKGYDQZSA-N 1 0 382.552 3.103 20 30 GGEDRO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409067 1406044164 /nfs/dbraw/zinc/04/41/64/1406044164.db2.gz SCZXLGITMSZJBU-DENIHFKCSA-N 1 0 382.552 3.103 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(CCC#N)Cc2ccco2)CC1 ZINC000176290720 1428223527 /nfs/dbraw/zinc/22/35/27/1428223527.db2.gz FWMJXWLNNURCKQ-UHFFFAOYSA-N 1 0 394.519 3.085 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNc2nnc(C)c(C)c2C#N)cc1OC ZINC000052448033 1406053746 /nfs/dbraw/zinc/05/37/46/1406053746.db2.gz JYYXIYBLLOTWCX-UHFFFAOYSA-N 1 0 383.496 3.306 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052829848 1406190468 /nfs/dbraw/zinc/19/04/68/1406190468.db2.gz XPPQHLLFBPMWFD-HOTGVXAUSA-N 1 0 392.931 3.199 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000056840214 1407451197 /nfs/dbraw/zinc/45/11/97/1407451197.db2.gz QWQVKDNTHYRILQ-OAQYLSRUSA-N 1 0 380.467 3.458 20 30 GGEDRO C[NH+](C)CCOc1cccc(CNC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000056891317 1407466763 /nfs/dbraw/zinc/46/67/63/1407466763.db2.gz BCEHGJLEBJKDFE-UHFFFAOYSA-N 1 0 383.517 3.048 20 30 GGEDRO C=CCc1cc(OCC)cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1O ZINC000057092131 1407519008 /nfs/dbraw/zinc/51/90/08/1407519008.db2.gz OXSVGYHTESSPGA-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(COCc3ccccc3)cc2)CC1 ZINC000057171521 1407543703 /nfs/dbraw/zinc/54/37/03/1407543703.db2.gz VVFICRFPMIHWGR-UHFFFAOYSA-N 1 0 376.500 3.365 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 ZINC000057175124 1407546010 /nfs/dbraw/zinc/54/60/10/1407546010.db2.gz YTMBZYUVYXWGJK-UHFFFAOYSA-N 1 0 392.455 3.278 20 30 GGEDRO C[C@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176328418 1428248090 /nfs/dbraw/zinc/24/80/90/1428248090.db2.gz WUBOGJQRTQBSQR-IBGZPJMESA-N 1 0 392.503 3.395 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000057605871 1407663218 /nfs/dbraw/zinc/66/32/18/1407663218.db2.gz KYTHGFOHNQJONO-OAQYLSRUSA-N 1 0 380.492 3.019 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000057607038 1407664714 /nfs/dbraw/zinc/66/47/14/1407664714.db2.gz XZPJOYNWGOBHMF-OAQYLSRUSA-N 1 0 398.482 3.158 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000057617657 1407667684 /nfs/dbraw/zinc/66/76/84/1407667684.db2.gz WHSXYPREMPDFAT-PGRDOPGGSA-N 1 0 386.540 3.227 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCOc1ccc(F)cc1 ZINC000057633259 1407672338 /nfs/dbraw/zinc/67/23/38/1407672338.db2.gz JNSHZZVZAIQPCH-UHFFFAOYSA-N 1 0 398.482 3.240 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000057679607 1407682629 /nfs/dbraw/zinc/68/26/29/1407682629.db2.gz ZBBMLBUIOICDKD-UHFFFAOYSA-N 1 0 398.894 3.049 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)ccc1OC ZINC000057961942 1407762437 /nfs/dbraw/zinc/76/24/37/1407762437.db2.gz MIXXWXPBKCXALZ-UHFFFAOYSA-N 1 0 383.492 3.172 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2cccnc2N2CCOCC2)ccc1OC ZINC000057962113 1407762699 /nfs/dbraw/zinc/76/26/99/1407762699.db2.gz OWTUOHRALSNFPI-UHFFFAOYSA-N 1 0 383.492 3.172 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(N2CCOC2=O)c1)C(C)C ZINC000058103842 1407784544 /nfs/dbraw/zinc/78/45/44/1407784544.db2.gz RDEIXOSUPUTVRX-IBGZPJMESA-N 1 0 386.496 3.463 20 30 GGEDRO CCN1C[C@H](C[N@H+](C)CCC(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000058289135 1407807338 /nfs/dbraw/zinc/80/73/38/1407807338.db2.gz BVGLRPOKQYEMPU-INIZCTEOSA-N 1 0 384.505 3.168 20 30 GGEDRO C=CCc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc(OC)c1OC ZINC000058401274 1407823368 /nfs/dbraw/zinc/82/33/68/1407823368.db2.gz UONIHRYZBLANKT-UHFFFAOYSA-N 1 0 395.503 3.436 20 30 GGEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000058452248 1407831206 /nfs/dbraw/zinc/83/12/06/1407831206.db2.gz LMLHFHZLBPUSDV-UHFFFAOYSA-N 1 0 391.519 3.326 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000058452826 1407831224 /nfs/dbraw/zinc/83/12/24/1407831224.db2.gz QTCHUEQYEKJNIB-UHFFFAOYSA-N 1 0 391.519 3.196 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000058580532 1407847649 /nfs/dbraw/zinc/84/76/49/1407847649.db2.gz QJKAUNZGYGLKMX-HXUWFJFHSA-N 1 0 399.922 3.301 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(CS(C)(=O)=O)c1)C(C)C ZINC000058650966 1407858630 /nfs/dbraw/zinc/85/86/30/1407858630.db2.gz JMQBHBYJOWHWKF-IBGZPJMESA-N 1 0 393.553 3.051 20 30 GGEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)c2cccc(C#N)c2)c2ccccc2)CC1 ZINC000059932564 1407930330 /nfs/dbraw/zinc/93/03/30/1407930330.db2.gz UHFBGBCLLIEZMW-OAQYLSRUSA-N 1 0 383.517 3.310 20 30 GGEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2cccc(C#N)c2)c2ccccc2)CC1 ZINC000059932561 1407930668 /nfs/dbraw/zinc/93/06/68/1407930668.db2.gz UHFBGBCLLIEZMW-NRFANRHFSA-N 1 0 383.517 3.310 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000060089836 1407937287 /nfs/dbraw/zinc/93/72/87/1407937287.db2.gz CZKHWPWETKMGCM-IBGZPJMESA-N 1 0 377.444 3.495 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000060394550 1407969545 /nfs/dbraw/zinc/96/95/45/1407969545.db2.gz HTFWBAVKCLWSIQ-UHFFFAOYSA-N 1 0 387.524 3.305 20 30 GGEDRO CC[N@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477551 1407986362 /nfs/dbraw/zinc/98/63/62/1407986362.db2.gz UUQIXXRHVGXFNC-OAHLLOKOSA-N 1 0 380.448 3.298 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000176373556 1428281113 /nfs/dbraw/zinc/28/11/13/1428281113.db2.gz RMLRGHZUOYCLCA-UHFFFAOYSA-N 1 0 385.508 3.103 20 30 GGEDRO N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000176376784 1428283710 /nfs/dbraw/zinc/28/37/10/1428283710.db2.gz VQIQMHYLMHDDGA-IBGZPJMESA-N 1 0 380.467 3.061 20 30 GGEDRO Cc1cc(OCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1Cl ZINC000060575858 1408005328 /nfs/dbraw/zinc/00/53/28/1408005328.db2.gz FRKREURGLKZJSM-UHFFFAOYSA-N 1 0 385.895 3.489 20 30 GGEDRO C[NH+]1CCN(CCCNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000061211566 1408091459 /nfs/dbraw/zinc/09/14/59/1408091459.db2.gz SFNVSRKPBGIQTE-UHFFFAOYSA-N 1 0 394.544 3.077 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1)CC(F)(F)F ZINC000176399518 1428301941 /nfs/dbraw/zinc/30/19/41/1428301941.db2.gz GRNRQEWGDQHUFU-CYBMUJFWSA-N 1 0 388.459 3.154 20 30 GGEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000062484664 1408266626 /nfs/dbraw/zinc/26/66/26/1408266626.db2.gz ZZGDYHAGXQEXBJ-UHFFFAOYSA-N 1 0 383.467 3.111 20 30 GGEDRO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000176407284 1428306238 /nfs/dbraw/zinc/30/62/38/1428306238.db2.gz QIWRHSOAWASUNH-HOCLYGCPSA-N 1 0 382.430 3.091 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(C)C ZINC000063162068 1408310689 /nfs/dbraw/zinc/31/06/89/1408310689.db2.gz HTTLQEXJJNRXEC-HNNXBMFYSA-N 1 0 386.418 3.214 20 30 GGEDRO C=CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1cccc(C#N)c1 ZINC000063300921 1408332317 /nfs/dbraw/zinc/33/23/17/1408332317.db2.gz ICHVMOQHNWGYMS-UHFFFAOYSA-N 1 0 394.431 3.492 20 30 GGEDRO C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000063302486 1408332995 /nfs/dbraw/zinc/33/29/95/1408332995.db2.gz WGBMLTAYLGADKQ-QZTJIDSGSA-N 1 0 398.551 3.478 20 30 GGEDRO Oc1ccc(/C=N/CCCOC2CC[NH+](Cc3ccccc3)CC2)c(O)c1O ZINC000176414052 1428310770 /nfs/dbraw/zinc/31/07/70/1428310770.db2.gz BNBIBLRFKANDLN-HZHRSRAPSA-N 1 0 384.476 3.294 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)CC(F)(F)F ZINC000176414620 1428310893 /nfs/dbraw/zinc/31/08/93/1428310893.db2.gz IWXXGQNUFSXNGX-HNNXBMFYSA-N 1 0 393.413 3.314 20 30 GGEDRO N#Cc1ccc(OCCON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000063509712 1408365648 /nfs/dbraw/zinc/36/56/48/1408365648.db2.gz GZRLUDWGLJKLKM-UHFFFAOYSA-N 1 0 378.476 3.260 20 30 GGEDRO N#CCOc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000063578872 1408374312 /nfs/dbraw/zinc/37/43/12/1408374312.db2.gz BBQMJABWBAOODY-UHFFFAOYSA-N 1 0 375.222 3.370 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000063823949 1408421226 /nfs/dbraw/zinc/42/12/26/1408421226.db2.gz VSSJMSCFKAVMCM-UHFFFAOYSA-N 1 0 390.487 3.108 20 30 GGEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCCC1 ZINC000064014421 1408466688 /nfs/dbraw/zinc/46/66/88/1408466688.db2.gz PTQLLRFXLYXCJX-GOSISDBHSA-N 1 0 398.551 3.478 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000064361654 1408540338 /nfs/dbraw/zinc/54/03/38/1408540338.db2.gz AKIJFNNBOHWLPF-UHFFFAOYSA-N 1 0 384.505 3.308 20 30 GGEDRO CCCOc1c(Cl)cc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1OC ZINC000064361988 1408541000 /nfs/dbraw/zinc/54/10/00/1408541000.db2.gz CJGPNSGYYGIJCN-UHFFFAOYSA-N 1 0 381.904 3.445 20 30 GGEDRO CSc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000064596277 1408583480 /nfs/dbraw/zinc/58/34/80/1408583480.db2.gz DXMMQRSDTAKUOG-UHFFFAOYSA-N 1 0 389.546 3.033 20 30 GGEDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1OCCCC#N ZINC000064614322 1408586139 /nfs/dbraw/zinc/58/61/39/1408586139.db2.gz VWFMJLXNXQXPJB-SFHVURJKSA-N 1 0 388.439 3.046 20 30 GGEDRO CCNC(=O)c1cccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000064614447 1408586159 /nfs/dbraw/zinc/58/61/59/1408586159.db2.gz IHGZYLGCKGOTOP-UHFFFAOYSA-N 1 0 381.476 3.417 20 30 GGEDRO COc1ccc(C[NH2+]CC(=O)N2CCCc3ccccc32)cc1OCCCC#N ZINC000064614498 1408586341 /nfs/dbraw/zinc/58/63/41/1408586341.db2.gz DGPZXWPOJQDALY-UHFFFAOYSA-N 1 0 393.487 3.447 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064735493 1408604828 /nfs/dbraw/zinc/60/48/28/1408604828.db2.gz XXZBABBOXHVJCQ-FUHIMQAGSA-N 1 0 385.556 3.210 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000065054588 1408640267 /nfs/dbraw/zinc/64/02/67/1408640267.db2.gz VNYRIZPIHMXCKS-UHFFFAOYSA-N 1 0 390.531 3.358 20 30 GGEDRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)CC1 ZINC000065074016 1408642066 /nfs/dbraw/zinc/64/20/66/1408642066.db2.gz WTUKFNKFVGIMGT-UHFFFAOYSA-N 1 0 392.503 3.369 20 30 GGEDRO C=CCc1cc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000065389163 1408664937 /nfs/dbraw/zinc/66/49/37/1408664937.db2.gz LRJJWWFSSMQPQE-IAGOWNOFSA-N 1 0 389.540 3.352 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(N(C)C)nc3ccccc23)CC1 ZINC000176499619 1428340881 /nfs/dbraw/zinc/34/08/81/1428340881.db2.gz ZAEUIDFQSVXCLX-UHFFFAOYSA-N 1 0 381.524 3.141 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1OC ZINC000065909700 1408752531 /nfs/dbraw/zinc/75/25/31/1408752531.db2.gz VWDRNJOQPWBMMQ-UHFFFAOYSA-N 1 0 397.475 3.403 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1ccccc1F ZINC000065930249 1408755738 /nfs/dbraw/zinc/75/57/38/1408755738.db2.gz XHVRKBXCYDFMQD-UHFFFAOYSA-N 1 0 383.467 3.447 20 30 GGEDRO Cc1cc(OCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1Cl ZINC000065930013 1408755933 /nfs/dbraw/zinc/75/59/33/1408755933.db2.gz ICVFBZJBLXJUKT-UHFFFAOYSA-N 1 0 385.895 3.489 20 30 GGEDRO CSc1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c2ccccn21 ZINC000065930246 1408755975 /nfs/dbraw/zinc/75/59/75/1408755975.db2.gz BOXWNFUZJUEELL-UHFFFAOYSA-N 1 0 393.516 3.132 20 30 GGEDRO Cc1nc(C(F)(F)F)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930636 1408756170 /nfs/dbraw/zinc/75/61/70/1408756170.db2.gz XJTXACISIAHDNL-UHFFFAOYSA-N 1 0 390.409 3.485 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000065930752 1408756222 /nfs/dbraw/zinc/75/62/22/1408756222.db2.gz WQEYCAXCEURWHI-UHFFFAOYSA-N 1 0 391.450 3.291 20 30 GGEDRO Cc1cc(C)c(OCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C)c1 ZINC000065931134 1408756280 /nfs/dbraw/zinc/75/62/80/1408756280.db2.gz KYNHARAGLFETAP-UHFFFAOYSA-N 1 0 379.504 3.453 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000065931224 1408756305 /nfs/dbraw/zinc/75/63/05/1408756305.db2.gz OVSKNWDJRQDHDJ-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO CC(=O)Nc1ccc(/C=C/C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930740 1408756493 /nfs/dbraw/zinc/75/64/93/1408756493.db2.gz NAOMEUQBYIJNLO-FMIVXFBMSA-N 1 0 390.487 3.120 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000065931338 1408756521 /nfs/dbraw/zinc/75/65/21/1408756521.db2.gz WEZALDSYFWOETG-UHFFFAOYSA-N 1 0 398.488 3.149 20 30 GGEDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000065975185 1408766038 /nfs/dbraw/zinc/76/60/38/1408766038.db2.gz CJUIURMTMPQGHI-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000065975237 1408766078 /nfs/dbraw/zinc/76/60/78/1408766078.db2.gz FFHSFBNHYWPCJU-UHFFFAOYSA-N 1 0 397.544 3.190 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000066160923 1408785854 /nfs/dbraw/zinc/78/58/54/1408785854.db2.gz GEKISOYTCVLRDZ-FQEVSTJZSA-N 1 0 382.508 3.203 20 30 GGEDRO C=CCc1cc(CNC(=O)N(C)C2CC[NH+](CCC)CC2)cc(OC)c1OC ZINC000066192252 1408789435 /nfs/dbraw/zinc/78/94/35/1408789435.db2.gz RYAQJUKWTJKSRR-UHFFFAOYSA-N 1 0 389.540 3.448 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000176527571 1428350941 /nfs/dbraw/zinc/35/09/41/1428350941.db2.gz GJOANERDGRFROK-YADHBBJMSA-N 1 0 392.503 3.162 20 30 GGEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000066390518 1408828436 /nfs/dbraw/zinc/82/84/36/1408828436.db2.gz FBPIYRMQOTUJLA-INIZCTEOSA-N 1 0 381.451 3.362 20 30 GGEDRO COCCOc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000066403363 1408831796 /nfs/dbraw/zinc/83/17/96/1408831796.db2.gz ZNQPFVDNDLPEGI-UHFFFAOYSA-N 1 0 396.491 3.179 20 30 GGEDRO N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000066410431 1408832635 /nfs/dbraw/zinc/83/26/35/1408832635.db2.gz MIRVACVNMIMUCZ-UHFFFAOYSA-N 1 0 392.478 3.256 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000066422702 1408835438 /nfs/dbraw/zinc/83/54/38/1408835438.db2.gz XXTJBMBUIGBEKB-QFIPXVFZSA-N 1 0 399.514 3.145 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000066436953 1408838166 /nfs/dbraw/zinc/83/81/66/1408838166.db2.gz RWYXBGBNFKDQCZ-INIZCTEOSA-N 1 0 382.508 3.364 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000066483815 1408845158 /nfs/dbraw/zinc/84/51/58/1408845158.db2.gz FOCRLSKTLVZXST-FQEVSTJZSA-N 1 0 386.561 3.077 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066535113 1408854195 /nfs/dbraw/zinc/85/41/95/1408854195.db2.gz WGRMUKCCORFPRQ-ZWKOTPCHSA-N 1 0 386.565 3.437 20 30 GGEDRO C[NH+](C)Cc1cccc(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 ZINC000066620144 1408870235 /nfs/dbraw/zinc/87/02/35/1408870235.db2.gz RQBWISYEUWUKIQ-UHFFFAOYSA-N 1 0 392.503 3.091 20 30 GGEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066621956 1408870965 /nfs/dbraw/zinc/87/09/65/1408870965.db2.gz ZBYPMJSMJZOMBR-VAMGGRTRSA-N 1 0 398.551 3.196 20 30 GGEDRO CC(C)(C)CC[NH+]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066623106 1408871582 /nfs/dbraw/zinc/87/15/82/1408871582.db2.gz WJIWPCHPCVVDFL-UHFFFAOYSA-N 1 0 398.551 3.294 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)COc1ccc(C#N)cc1OC ZINC000066726522 1408894886 /nfs/dbraw/zinc/89/48/86/1408894886.db2.gz VVURVMCCWJMEHS-UHFFFAOYSA-N 1 0 381.476 3.056 20 30 GGEDRO COc1ccc2c(c1)C(=O)N(C)C1(CC[NH+](Cc3ccc(C#N)cc3)CC1)N2 ZINC000066739859 1408897993 /nfs/dbraw/zinc/89/79/93/1408897993.db2.gz HKJXCYUBQHWOTD-UHFFFAOYSA-N 1 0 376.460 3.057 20 30 GGEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2ccc(C#N)c(F)c2)CC1 ZINC000066749225 1408899090 /nfs/dbraw/zinc/89/90/90/1408899090.db2.gz PEQJZUCKOFCADF-UHFFFAOYSA-N 1 0 381.451 3.119 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000176562351 1428364774 /nfs/dbraw/zinc/36/47/74/1428364774.db2.gz VDGVWDYATAVCNQ-HHHXNRCGSA-N 1 0 392.569 3.433 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@@H+](CCC(=O)NCC3CCCCC3)CC2)cc1 ZINC000066870876 1408938107 /nfs/dbraw/zinc/93/81/07/1408938107.db2.gz QECOYFHQKQTYFF-UHFFFAOYSA-N 1 0 382.552 3.153 20 30 GGEDRO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000176554463 1428361580 /nfs/dbraw/zinc/36/15/80/1428361580.db2.gz XJQMYDSJJOROJP-SFHVURJKSA-N 1 0 399.539 3.400 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899382 1408945807 /nfs/dbraw/zinc/94/58/07/1408945807.db2.gz ZLCWTCWQUQKJNM-LJQANCHMSA-N 1 0 377.444 3.495 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000066935340 1408957065 /nfs/dbraw/zinc/95/70/65/1408957065.db2.gz AGWJCELXBNYPFN-UHFFFAOYSA-N 1 0 391.924 3.484 20 30 GGEDRO N#CC1CCN(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000066953274 1408962629 /nfs/dbraw/zinc/96/26/29/1408962629.db2.gz KUPRDGBWTUIUFB-UHFFFAOYSA-N 1 0 383.496 3.269 20 30 GGEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066953593 1408962933 /nfs/dbraw/zinc/96/29/33/1408962933.db2.gz UAFDYASVVGJHPV-KRWDZBQOSA-N 1 0 393.491 3.108 20 30 GGEDRO CCOc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000066971996 1408969287 /nfs/dbraw/zinc/96/92/87/1408969287.db2.gz SDFSBFMLEZPBOH-MRXNPFEDSA-N 1 0 381.476 3.102 20 30 GGEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000066982350 1408970802 /nfs/dbraw/zinc/97/08/02/1408970802.db2.gz MAEPJFUXSWAJHA-OAHLLOKOSA-N 1 0 388.537 3.008 20 30 GGEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[NH+](C)C ZINC000066983710 1408971110 /nfs/dbraw/zinc/97/11/10/1408971110.db2.gz CPBHSPKLEJADNF-JKSUJKDBSA-N 1 0 390.553 3.112 20 30 GGEDRO C=CCOc1ccc(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1Cl ZINC000066991820 1408974014 /nfs/dbraw/zinc/97/40/14/1408974014.db2.gz MIIZBQLVQPZYIH-NRFANRHFSA-N 1 0 399.878 3.249 20 30 GGEDRO C=CCOc1ccc(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1Cl ZINC000066991821 1408974181 /nfs/dbraw/zinc/97/41/81/1408974181.db2.gz MIIZBQLVQPZYIH-OAQYLSRUSA-N 1 0 399.878 3.249 20 30 GGEDRO C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)N1CCN(c2ccccc2)CC1 ZINC000067120675 1409013383 /nfs/dbraw/zinc/01/33/83/1409013383.db2.gz ZURMXVZLBDZDNP-OAQYLSRUSA-N 1 0 391.563 3.337 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1 ZINC000067143926 1409020839 /nfs/dbraw/zinc/02/08/39/1409020839.db2.gz MBWFKDLMNQDFLA-UHFFFAOYSA-N 1 0 389.499 3.209 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CC1 ZINC000067209866 1409043617 /nfs/dbraw/zinc/04/36/17/1409043617.db2.gz CCPRUOUVRILJGA-UHFFFAOYSA-N 1 0 375.900 3.010 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)CC1 ZINC000067210311 1409043838 /nfs/dbraw/zinc/04/38/38/1409043838.db2.gz LOAUNNVFKWFJGP-UHFFFAOYSA-N 1 0 381.520 3.375 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)CC1 ZINC000067212925 1409044980 /nfs/dbraw/zinc/04/49/80/1409044980.db2.gz HRLGJKXKMMZNMI-UHFFFAOYSA-N 1 0 381.520 3.375 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000067231148 1409048899 /nfs/dbraw/zinc/04/88/99/1409048899.db2.gz IFJRTUGYKJXTLD-RXVVDRJESA-N 1 0 394.471 3.101 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000067347233 1409080280 /nfs/dbraw/zinc/08/02/80/1409080280.db2.gz JUKQJVWALJXIGF-ROUUACIJSA-N 1 0 387.524 3.064 20 30 GGEDRO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000067377583 1409092371 /nfs/dbraw/zinc/09/23/71/1409092371.db2.gz ANHPTKVJVHRHPZ-SFHVURJKSA-N 1 0 385.508 3.185 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000067377906 1409092491 /nfs/dbraw/zinc/09/24/91/1409092491.db2.gz WVXBFZLDHGPOPH-PXNSSMCTSA-N 1 0 393.487 3.142 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401031 1409104196 /nfs/dbraw/zinc/10/41/96/1409104196.db2.gz JYSNRSRXDPOISD-FOIQADDNSA-N 1 0 377.916 3.094 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000067497885 1409137937 /nfs/dbraw/zinc/13/79/37/1409137937.db2.gz QJVIZRKSESGTOK-QZTJIDSGSA-N 1 0 387.524 3.064 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000067577878 1409173561 /nfs/dbraw/zinc/17/35/61/1409173561.db2.gz FTPZEUSIYIDTGN-IRXDYDNUSA-N 1 0 390.553 3.153 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000067577877 1409173789 /nfs/dbraw/zinc/17/37/89/1409173789.db2.gz FTPZEUSIYIDTGN-DLBZAZTESA-N 1 0 390.553 3.153 20 30 GGEDRO COc1ccc(C[NH2+]CCc2nnc3n2CCCCC3)cc1OCCCC#N ZINC000067697878 1409208113 /nfs/dbraw/zinc/20/81/13/1409208113.db2.gz KPMTWNPCNWKSEK-UHFFFAOYSA-N 1 0 383.496 3.028 20 30 GGEDRO CC(C)OCC[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000176626723 1428383656 /nfs/dbraw/zinc/38/36/56/1428383656.db2.gz LFOGAGYNRUOXEB-UHFFFAOYSA-N 1 0 384.524 3.122 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176625899 1428383713 /nfs/dbraw/zinc/38/37/13/1428383713.db2.gz KHUPZIRRHNQUCS-UHFFFAOYSA-N 1 0 377.504 3.413 20 30 GGEDRO N#CCOc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000067925890 1409256820 /nfs/dbraw/zinc/25/68/20/1409256820.db2.gz OMFJOTJETOPFAZ-LJQANCHMSA-N 1 0 381.451 3.256 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 ZINC000068277740 1409350014 /nfs/dbraw/zinc/35/00/14/1409350014.db2.gz CCRWHQHHVPGUDX-NRFANRHFSA-N 1 0 398.551 3.340 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 ZINC000068277741 1409350224 /nfs/dbraw/zinc/35/02/24/1409350224.db2.gz CCRWHQHHVPGUDX-OAQYLSRUSA-N 1 0 398.551 3.340 20 30 GGEDRO COc1cccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1OC ZINC000068309842 1409360621 /nfs/dbraw/zinc/36/06/21/1409360621.db2.gz VVCLJHGMZYBXTP-UHFFFAOYSA-N 1 0 395.503 3.098 20 30 GGEDRO Cc1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)ccc1C#N ZINC000068313264 1409363046 /nfs/dbraw/zinc/36/30/46/1409363046.db2.gz RXZXZZRXYAEISQ-UHFFFAOYSA-N 1 0 390.409 3.485 20 30 GGEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000068386262 1409386832 /nfs/dbraw/zinc/38/68/32/1409386832.db2.gz GSUOGQJDKHRKIP-CQSZACIVSA-N 1 0 398.894 3.396 20 30 GGEDRO N#Cc1ccc(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)nc1 ZINC000068484937 1409416209 /nfs/dbraw/zinc/41/62/09/1409416209.db2.gz LSLNXSSYCCFDKC-UHFFFAOYSA-N 1 0 376.504 3.418 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000068568147 1409440829 /nfs/dbraw/zinc/44/08/29/1409440829.db2.gz MGRBMZOYRNJPCG-CQSZACIVSA-N 1 0 395.366 3.391 20 30 GGEDRO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCCCC#N ZINC000068908691 1409522133 /nfs/dbraw/zinc/52/21/33/1409522133.db2.gz JUCVTSCVECAFGU-HXUWFJFHSA-N 1 0 377.554 3.387 20 30 GGEDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2ccncc2)n1 ZINC000068991357 1409538492 /nfs/dbraw/zinc/53/84/92/1409538492.db2.gz NOWMRBNFWBQDLH-LJQANCHMSA-N 1 0 390.466 3.251 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3N3CCOCC3)C2)c(F)c1 ZINC000068991366 1409538638 /nfs/dbraw/zinc/53/86/38/1409538638.db2.gz SMXSHUBNTCGIGD-FQEVSTJZSA-N 1 0 394.494 3.293 20 30 GGEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016592 1409544142 /nfs/dbraw/zinc/54/41/42/1409544142.db2.gz ZRPZNVXLXRRLOJ-IBGZPJMESA-N 1 0 384.524 3.029 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016430 1409544161 /nfs/dbraw/zinc/54/41/61/1409544161.db2.gz HKUQJPMWZUGSCW-VQTJNVASSA-N 1 0 398.551 3.418 20 30 GGEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016594 1409544368 /nfs/dbraw/zinc/54/43/68/1409544368.db2.gz ZRPZNVXLXRRLOJ-LJQANCHMSA-N 1 0 384.524 3.029 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CC1 ZINC000069018900 1409545033 /nfs/dbraw/zinc/54/50/33/1409545033.db2.gz VINBGRSUQYGHOQ-UHFFFAOYSA-N 1 0 386.499 3.046 20 30 GGEDRO CC(C)NC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccc(N(C)C)cc1 ZINC000069047733 1409553345 /nfs/dbraw/zinc/55/33/45/1409553345.db2.gz OSAPFYKXNYPUER-UHFFFAOYSA-O 1 0 384.525 3.007 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000069071877 1409556546 /nfs/dbraw/zinc/55/65/46/1409556546.db2.gz PHEZXTZYFNSSKD-NRFANRHFSA-N 1 0 392.503 3.034 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2cccc(C#N)c2)C(C)C)cc1 ZINC000069070988 1409556660 /nfs/dbraw/zinc/55/66/60/1409556660.db2.gz DAWQPRHFCQGASF-OAQYLSRUSA-N 1 0 381.476 3.167 20 30 GGEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000069076055 1409558576 /nfs/dbraw/zinc/55/85/76/1409558576.db2.gz HNXFWCKOXZSACC-OAQYLSRUSA-N 1 0 398.551 3.282 20 30 GGEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CCCC1 ZINC000069227515 1409590473 /nfs/dbraw/zinc/59/04/73/1409590473.db2.gz PTQLLRFXLYXCJX-SFHVURJKSA-N 1 0 398.551 3.478 20 30 GGEDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000069247235 1409592179 /nfs/dbraw/zinc/59/21/79/1409592179.db2.gz HZTRJGCRXURXHM-UHFFFAOYSA-N 1 0 394.475 3.136 20 30 GGEDRO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(OCC#N)cc2)cc1 ZINC000069258082 1409596674 /nfs/dbraw/zinc/59/66/74/1409596674.db2.gz JQAKFIJKNUSQHD-UHFFFAOYSA-N 1 0 380.492 3.430 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000069268947 1409599433 /nfs/dbraw/zinc/59/94/33/1409599433.db2.gz NKYBLEBLIGJCMI-UHFFFAOYSA-N 1 0 392.503 3.095 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000069274698 1409601561 /nfs/dbraw/zinc/60/15/61/1409601561.db2.gz WIADPZNJPMDHNC-UHFFFAOYSA-N 1 0 396.466 3.192 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000069417152 1409632041 /nfs/dbraw/zinc/63/20/41/1409632041.db2.gz SBCXDKYGRHZRMO-GOSISDBHSA-N 1 0 386.521 3.081 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000069576301 1409655198 /nfs/dbraw/zinc/65/51/98/1409655198.db2.gz IKPPDBRLPPROLH-UHFFFAOYSA-N 1 0 378.448 3.396 20 30 GGEDRO COc1cccc([C@H](CNC(=O)/C=C/c2ccc(OCC#N)cc2)[NH+](C)C)c1 ZINC000069617442 1409664012 /nfs/dbraw/zinc/66/40/12/1409664012.db2.gz UJVFZKLNQAVPQE-ZRFOIIEFSA-N 1 0 379.460 3.030 20 30 GGEDRO N#CCOc1ccc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000069828939 1409711545 /nfs/dbraw/zinc/71/15/45/1409711545.db2.gz RDFAHWDPFMQOEI-UHFFFAOYSA-N 1 0 384.524 3.387 20 30 GGEDRO COC(=O)[C@@H](NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000176708553 1428424138 /nfs/dbraw/zinc/42/41/38/1428424138.db2.gz ZBSVTNSSGLHVML-VXKWHMMOSA-N 1 0 393.487 3.208 20 30 GGEDRO C=CCN(CC1CCCCC1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000070060064 1409745817 /nfs/dbraw/zinc/74/58/17/1409745817.db2.gz BTGNPUOWFVSIKF-UHFFFAOYSA-N 1 0 385.556 3.111 20 30 GGEDRO N#Cc1ccsc1N1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1=O ZINC000176717189 1428430554 /nfs/dbraw/zinc/43/05/54/1428430554.db2.gz WLJMPCSOHQOJGP-SFHVURJKSA-N 1 0 381.501 3.063 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000176714975 1428428713 /nfs/dbraw/zinc/42/87/13/1428428713.db2.gz GGQICVPSTMDYFP-UGSOOPFHSA-N 1 0 394.500 3.424 20 30 GGEDRO COC(=O)[C@@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000176715454 1428429761 /nfs/dbraw/zinc/42/97/61/1428429761.db2.gz WGAWIHKOJGGLAG-NRFANRHFSA-N 1 0 377.488 3.199 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000070840484 1409788498 /nfs/dbraw/zinc/78/84/98/1409788498.db2.gz INJZEHJCVQNCIU-UHFFFAOYSA-N 1 0 381.520 3.167 20 30 GGEDRO COC(=O)[C@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000176720656 1428433216 /nfs/dbraw/zinc/43/32/16/1428433216.db2.gz DMQPNYKHVVRASX-OAQYLSRUSA-N 1 0 381.451 3.166 20 30 GGEDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)cc1 ZINC000072074061 1409845843 /nfs/dbraw/zinc/84/58/43/1409845843.db2.gz YATNBLMKOIUEQI-FQEVSTJZSA-N 1 0 383.517 3.057 20 30 GGEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868702 1409854369 /nfs/dbraw/zinc/85/43/69/1409854369.db2.gz FSPGJXURIBWFTK-ICSRJNTNSA-N 1 0 376.504 3.339 20 30 GGEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000072895760 1409855039 /nfs/dbraw/zinc/85/50/39/1409855039.db2.gz VWLZVPWFZMXISU-UXHICEINSA-N 1 0 382.552 3.314 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNc1ccc(C#N)cc1 ZINC000075323706 1409881437 /nfs/dbraw/zinc/88/14/37/1409881437.db2.gz FOPPFMLPFZETJX-OAQYLSRUSA-N 1 0 376.504 3.341 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000075633854 1409882096 /nfs/dbraw/zinc/88/20/96/1409882096.db2.gz IXGGTAWVMIKLOZ-HXUWFJFHSA-N 1 0 382.552 3.499 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000075633855 1409882249 /nfs/dbraw/zinc/88/22/49/1409882249.db2.gz IXGGTAWVMIKLOZ-FQEVSTJZSA-N 1 0 382.552 3.499 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834538 1409883323 /nfs/dbraw/zinc/88/33/23/1409883323.db2.gz KRWMEBZGKZTVMU-OAQYLSRUSA-N 1 0 382.552 3.358 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 ZINC000076513174 1409889430 /nfs/dbraw/zinc/88/94/30/1409889430.db2.gz PSLYFQFPJLXOBB-UHFFFAOYSA-N 1 0 375.538 3.282 20 30 GGEDRO Cc1cc(NCCCC[NH+]2CCN(C)CC2)n2c3ccccc3nc2c1C#N ZINC000076711210 1409890995 /nfs/dbraw/zinc/89/09/95/1409890995.db2.gz DPHGDVGJXASDBG-UHFFFAOYSA-N 1 0 376.508 3.107 20 30 GGEDRO Cc1ccccc1C1(C[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)CCOCC1 ZINC000176729539 1428439035 /nfs/dbraw/zinc/43/90/35/1428439035.db2.gz GFVVOYDYTCDRTD-LJQANCHMSA-N 1 0 395.528 3.372 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077622341 1409898172 /nfs/dbraw/zinc/89/81/72/1409898172.db2.gz MPEFEOBEGWUCMU-KRWDZBQOSA-N 1 0 375.488 3.024 20 30 GGEDRO COC(=O)[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000176732827 1428440998 /nfs/dbraw/zinc/44/09/98/1428440998.db2.gz HJNQZUAEQOAZFM-JOCHJYFZSA-N 1 0 377.488 3.274 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)CCC2 ZINC000079555963 1409980689 /nfs/dbraw/zinc/98/06/89/1409980689.db2.gz DQRHASXTFBPGLF-UHFFFAOYSA-N 1 0 376.504 3.320 20 30 GGEDRO COC(=O)[C@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc(C#N)c1 ZINC000176745313 1428445781 /nfs/dbraw/zinc/44/57/81/1428445781.db2.gz FXBGMDBJBDITFP-OAQYLSRUSA-N 1 0 395.528 3.476 20 30 GGEDRO COC(=O)[C@@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc(C#N)c1 ZINC000176745332 1428445859 /nfs/dbraw/zinc/44/58/59/1428445859.db2.gz FXBGMDBJBDITFP-NRFANRHFSA-N 1 0 395.528 3.476 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000080079820 1410000251 /nfs/dbraw/zinc/00/02/51/1410000251.db2.gz QPLDEVPPSYQKDK-UHFFFAOYSA-N 1 0 377.485 3.075 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000080119878 1410001207 /nfs/dbraw/zinc/00/12/07/1410001207.db2.gz BOUABIOJKATXCC-SFHVURJKSA-N 1 0 376.932 3.258 20 30 GGEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000081632698 1410023443 /nfs/dbraw/zinc/02/34/43/1410023443.db2.gz FGQNPJNYJASIIC-IBGZPJMESA-N 1 0 378.520 3.401 20 30 GGEDRO C=CCc1cc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc(OC)c1OC ZINC000085364443 1410039734 /nfs/dbraw/zinc/03/97/34/1410039734.db2.gz ORCLHZTXIVYAEO-OAHLLOKOSA-N 1 0 377.529 3.208 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C1CCC(CO)CC1 ZINC000089923872 1410059529 /nfs/dbraw/zinc/05/95/29/1410059529.db2.gz DQJWFIPMEYQHBE-GTPINHCMSA-N 1 0 375.538 3.360 20 30 GGEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000091456223 1410074068 /nfs/dbraw/zinc/07/40/68/1410074068.db2.gz MYYWNHOYKHWQGO-UHFFFAOYSA-N 1 0 376.932 3.132 20 30 GGEDRO CCOc1ccc(C2=CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000091813462 1410083663 /nfs/dbraw/zinc/08/36/63/1410083663.db2.gz HSXOQGFSMYMPMR-OAQYLSRUSA-N 1 0 378.472 3.486 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091868050 1410088457 /nfs/dbraw/zinc/08/84/57/1410088457.db2.gz ZWLRRVIQKXIXJA-FQEVSTJZSA-N 1 0 398.478 3.313 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091885929 1410089277 /nfs/dbraw/zinc/08/92/77/1410089277.db2.gz URDMWNCKSKLRIA-FQEVSTJZSA-N 1 0 384.451 3.118 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091888903 1410089678 /nfs/dbraw/zinc/08/96/78/1410089678.db2.gz OCFBYNAPQQGDIF-NRFANRHFSA-N 1 0 398.478 3.313 20 30 GGEDRO N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)nc1 ZINC000092035157 1410099885 /nfs/dbraw/zinc/09/98/85/1410099885.db2.gz BNVLTMRTRXULKX-JSOIOWGOSA-N 1 0 396.535 3.414 20 30 GGEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000092149259 1410112827 /nfs/dbraw/zinc/11/28/27/1410112827.db2.gz CPOFWCHMQXKPNK-UHFFFAOYSA-N 1 0 382.533 3.446 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H](N4CCNC4=O)C3)c2)c1 ZINC000092189021 1410118537 /nfs/dbraw/zinc/11/85/37/1410118537.db2.gz VLPWDURUEAUKNE-OAQYLSRUSA-N 1 0 390.487 3.127 20 30 GGEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092195197 1410119971 /nfs/dbraw/zinc/11/99/71/1410119971.db2.gz QBNQQCPCNQPJMS-QREPNTDJSA-N 1 0 399.539 3.063 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000092218414 1410121072 /nfs/dbraw/zinc/12/10/72/1410121072.db2.gz RJORTNQFJOTDJE-QHCPKHFHSA-N 1 0 391.515 3.434 20 30 GGEDRO CCC[NH+]1CCC(N(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092407908 1410154414 /nfs/dbraw/zinc/15/44/14/1410154414.db2.gz SVOWUNGIIJMILE-UHFFFAOYSA-N 1 0 399.539 3.159 20 30 GGEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092407978 1410154521 /nfs/dbraw/zinc/15/45/21/1410154521.db2.gz ZMUANNUOSYSZJF-XEVCZEQESA-N 1 0 399.539 3.017 20 30 GGEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC#Cc1ccccc1 ZINC000092461161 1410158656 /nfs/dbraw/zinc/15/86/56/1410158656.db2.gz MIJYVXDAQVHPRI-UHFFFAOYSA-N 1 0 376.504 3.381 20 30 GGEDRO COC(=O)[C@H](NCC1([NH+]2CCSCC2)CCCCC1)c1cccc(C#N)c1 ZINC000176785303 1428460402 /nfs/dbraw/zinc/46/04/02/1428460402.db2.gz CJFDNFMVYYIJPO-LJQANCHMSA-N 1 0 387.549 3.114 20 30 GGEDRO C[C@H](C#N)Oc1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000092505383 1410163279 /nfs/dbraw/zinc/16/32/79/1410163279.db2.gz YZYGKDIQFGGHTJ-MRXNPFEDSA-N 1 0 385.430 3.064 20 30 GGEDRO CC(C)[C@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000092615081 1410179637 /nfs/dbraw/zinc/17/96/37/1410179637.db2.gz WUQNNUAKWDPPTK-GZNCHQMQSA-N 1 0 384.524 3.270 20 30 GGEDRO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)[C@H](C)C2)cc1 ZINC000092659814 1410183732 /nfs/dbraw/zinc/18/37/32/1410183732.db2.gz SNMCSUNXTDWDSI-MSOLQXFVSA-N 1 0 393.487 3.475 20 30 GGEDRO N#Cc1csc(CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000092668972 1410187134 /nfs/dbraw/zinc/18/71/34/1410187134.db2.gz VZNJXMBEXJNCIG-GOSISDBHSA-N 1 0 381.549 3.049 20 30 GGEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(C(=O)c4ccoc4)CC3)CC2)nc1 ZINC000092854490 1410206107 /nfs/dbraw/zinc/20/61/07/1410206107.db2.gz MXBFVDVMMOOUMB-UHFFFAOYSA-N 1 0 394.475 3.131 20 30 GGEDRO C[C@H](C#N)Oc1ccc(CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000093104921 1410222238 /nfs/dbraw/zinc/22/22/38/1410222238.db2.gz AUMDFVQMCVAZLI-OAQYLSRUSA-N 1 0 392.547 3.227 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1OCCCC#N ZINC000093134438 1410224705 /nfs/dbraw/zinc/22/47/05/1410224705.db2.gz FZHGZGRJIHXFAJ-GOSISDBHSA-N 1 0 395.507 3.295 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2cc(C#N)cs2)C(C)C)cc1 ZINC000093149187 1410226360 /nfs/dbraw/zinc/22/63/60/1410226360.db2.gz MJAPAXPISNSMFO-GOSISDBHSA-N 1 0 387.505 3.228 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CC(C)(C)CCC#N)C(C)C)cc1 ZINC000093149240 1410226561 /nfs/dbraw/zinc/22/65/61/1410226561.db2.gz KTAALXDEBZBJDX-IBGZPJMESA-N 1 0 375.513 3.425 20 30 GGEDRO COCC[N@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000093358328 1410237207 /nfs/dbraw/zinc/23/72/07/1410237207.db2.gz URQNUNLRJCCNQS-UHFFFAOYSA-N 1 0 381.476 3.414 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1 ZINC000093512720 1410249269 /nfs/dbraw/zinc/24/92/69/1410249269.db2.gz KUKUTVYRSJKRHH-UHFFFAOYSA-N 1 0 383.927 3.403 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000093563531 1410253982 /nfs/dbraw/zinc/25/39/82/1410253982.db2.gz ADJSIQMRJHLHNI-FQEVSTJZSA-N 1 0 378.520 3.231 20 30 GGEDRO C=C(C)COc1cc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)ccc1OC ZINC000093614452 1410257079 /nfs/dbraw/zinc/25/70/79/1410257079.db2.gz MMBAYTSSVFKIAX-RTWAWAEBSA-N 1 0 375.509 3.402 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC000093797328 1410267947 /nfs/dbraw/zinc/26/79/47/1410267947.db2.gz KAQKTBMVGSWKIL-UHFFFAOYSA-N 1 0 375.488 3.167 20 30 GGEDRO N#Cc1ccccc1COc1cccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000093817979 1410271527 /nfs/dbraw/zinc/27/15/27/1410271527.db2.gz FNLGFHABMCHQDS-NRFANRHFSA-N 1 0 391.515 3.291 20 30 GGEDRO CCc1nsc(N2CCC[N@H+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000093871596 1410277763 /nfs/dbraw/zinc/27/77/63/1410277763.db2.gz DWDGDZQKXHLPIQ-UHFFFAOYSA-N 1 0 384.553 3.163 20 30 GGEDRO CN(c1ccc(NC(=O)COc2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000097207702 1410358952 /nfs/dbraw/zinc/35/89/52/1410358952.db2.gz RNTDZJCSHVDBLX-UHFFFAOYSA-N 1 0 378.476 3.106 20 30 GGEDRO N#Cc1ccc(OCCC[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000097473969 1410370519 /nfs/dbraw/zinc/37/05/19/1410370519.db2.gz ZDPLNYJBDZBXLP-UHFFFAOYSA-N 1 0 381.451 3.314 20 30 GGEDRO CC(C)N(C(=O)[C@H](C)ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC000097571243 1410378820 /nfs/dbraw/zinc/37/88/20/1410378820.db2.gz QLSPYULJVIHLEA-SFHVURJKSA-N 1 0 388.556 3.343 20 30 GGEDRO CC(C)N(C(=O)[C@@H](C)ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(C)C ZINC000097571477 1410378830 /nfs/dbraw/zinc/37/88/30/1410378830.db2.gz JMAXAJQXKYHFLZ-GOSISDBHSA-N 1 0 388.556 3.343 20 30 GGEDRO Cc1cc(C)c(NC(=O)CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000097604603 1410385273 /nfs/dbraw/zinc/38/52/73/1410385273.db2.gz BKUFDMPJCKWDEQ-OEAKJJBVSA-N 1 0 381.476 3.438 20 30 GGEDRO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000176817435 1428480035 /nfs/dbraw/zinc/48/00/35/1428480035.db2.gz QAKUYLJCAYEDSU-RTWAWAEBSA-N 1 0 386.540 3.083 20 30 GGEDRO C=CCc1cc(OCC)cc(C[N@@H+](CCCC)[C@H]2CCS(=O)(=O)C2)c1O ZINC000098051295 1410402859 /nfs/dbraw/zinc/40/28/59/1410402859.db2.gz ZNLRJNRDXDDRCW-SFHVURJKSA-N 1 0 381.538 3.309 20 30 GGEDRO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000101516503 1410443181 /nfs/dbraw/zinc/44/31/81/1410443181.db2.gz XREFHEJZJKRTQL-UHFFFAOYSA-N 1 0 399.498 3.130 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)NCC(F)(F)F)c1 ZINC000101534976 1410452964 /nfs/dbraw/zinc/45/29/64/1410452964.db2.gz TYFFUAOYJDNZBN-UHFFFAOYSA-O 1 0 395.426 3.308 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2ccccc2)cc1 ZINC000101535089 1410453117 /nfs/dbraw/zinc/45/31/17/1410453117.db2.gz WWMJXZCKHVMEES-UHFFFAOYSA-O 1 0 383.415 3.464 20 30 GGEDRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554601 1410460821 /nfs/dbraw/zinc/46/08/21/1410460821.db2.gz IRMCJFANUUQWLK-UHFFFAOYSA-N 1 0 398.894 3.371 20 30 GGEDRO CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566692 1410466232 /nfs/dbraw/zinc/46/62/32/1410466232.db2.gz QMGDILIULKTGIT-HSZRJFAPSA-N 1 0 398.551 3.058 20 30 GGEDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)cc1 ZINC000101563017 1410466331 /nfs/dbraw/zinc/46/63/31/1410466331.db2.gz NISYBHLGARLXCB-FQEVSTJZSA-N 1 0 383.517 3.057 20 30 GGEDRO C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000101604245 1410476317 /nfs/dbraw/zinc/47/63/17/1410476317.db2.gz JYLOVLHZVPREQH-OAHLLOKOSA-N 1 0 381.455 3.332 20 30 GGEDRO C[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101669008 1410488393 /nfs/dbraw/zinc/48/83/93/1410488393.db2.gz HQWUOULFYQHYLO-KSZLIROESA-N 1 0 391.519 3.016 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)CC1 ZINC000101826968 1410506907 /nfs/dbraw/zinc/50/69/07/1410506907.db2.gz IWWZXUDKXJIRPO-NRFANRHFSA-N 1 0 398.547 3.363 20 30 GGEDRO CCn1cc(NC(=S)C(C(=O)c2ccc(OC)cc2)[n+]2ccccc2)cn1 ZINC000101900451 1410515403 /nfs/dbraw/zinc/51/54/03/1410515403.db2.gz FEBLCVUQUIIQKX-UHFFFAOYSA-O 1 0 381.481 3.250 20 30 GGEDRO CCn1cc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2cccc(C)c2)cn1 ZINC000101900423 1410515813 /nfs/dbraw/zinc/51/58/13/1410515813.db2.gz KKLZJVANMAOZCL-UHFFFAOYSA-O 1 0 382.513 3.495 20 30 GGEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cc1OC ZINC000101908356 1410516857 /nfs/dbraw/zinc/51/68/57/1410516857.db2.gz DCDUTKWBOUWNHE-XXBNENTESA-N 1 0 399.535 3.299 20 30 GGEDRO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000101913053 1410519148 /nfs/dbraw/zinc/51/91/48/1410519148.db2.gz SDSQMOAHPMYSCL-VQTJNVASSA-N 1 0 398.551 3.259 20 30 GGEDRO N#Cc1cccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000176851264 1428500727 /nfs/dbraw/zinc/50/07/27/1428500727.db2.gz VLOWRPLCXBWZBE-UHFFFAOYSA-N 1 0 377.488 3.359 20 30 GGEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)o2)cc1 ZINC000102792388 1410759429 /nfs/dbraw/zinc/75/94/29/1410759429.db2.gz DNLODCTXJPHEEO-GOSISDBHSA-N 1 0 379.460 3.431 20 30 GGEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000102802588 1410768132 /nfs/dbraw/zinc/76/81/32/1410768132.db2.gz LTIXVXDFRNLDQA-UHFFFAOYSA-N 1 0 386.402 3.339 20 30 GGEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000176884339 1428511571 /nfs/dbraw/zinc/51/15/71/1428511571.db2.gz JROWURDCJHPMGR-ZDUSSCGKSA-N 1 0 380.416 3.284 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)CC1 ZINC000102908580 1410806364 /nfs/dbraw/zinc/80/63/64/1410806364.db2.gz TYTKPRJMGQHYDA-UHFFFAOYSA-N 1 0 382.504 3.422 20 30 GGEDRO C[NH+](C)CCCOc1ccc(CNC(=O)CSc2ccc(C#N)cc2)cc1 ZINC000103125647 1410829880 /nfs/dbraw/zinc/82/98/80/1410829880.db2.gz KWDFUALDNFUFGD-UHFFFAOYSA-N 1 0 383.517 3.297 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(F)ccc1Cl ZINC000103155054 1410832819 /nfs/dbraw/zinc/83/28/19/1410832819.db2.gz DYNJDFWNGXYQNH-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C[C@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000103180417 1410834833 /nfs/dbraw/zinc/83/48/33/1410834833.db2.gz MVIMFJDVBPMOCG-KRWDZBQOSA-N 1 0 380.492 3.449 20 30 GGEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103185055 1410835342 /nfs/dbraw/zinc/83/53/42/1410835342.db2.gz UKAWOZUCQIHBRT-QFIPXVFZSA-N 1 0 376.504 3.264 20 30 GGEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000103474962 1410861603 /nfs/dbraw/zinc/86/16/03/1410861603.db2.gz UVZPRKSPHVBCPL-NRFANRHFSA-N 1 0 390.487 3.253 20 30 GGEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000103850980 1410877392 /nfs/dbraw/zinc/87/73/92/1410877392.db2.gz KKMRMPNCZKLFRB-UHFFFAOYSA-N 1 0 392.503 3.373 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCCCc2nnc(SC)n2CC(C)C)cc1 ZINC000104174381 1410886203 /nfs/dbraw/zinc/88/62/03/1410886203.db2.gz SJZWFSJIJPPFEP-UHFFFAOYSA-N 1 0 376.530 3.024 20 30 GGEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCCS(=O)(=O)c2ccccc2)cc1 ZINC000104181092 1410886239 /nfs/dbraw/zinc/88/62/39/1410886239.db2.gz MJMNEMATMRPXFA-UHFFFAOYSA-N 1 0 375.494 3.064 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000104173154 1410886245 /nfs/dbraw/zinc/88/62/45/1410886245.db2.gz YIGWGKRSGRFJEZ-UHFFFAOYSA-N 1 0 395.551 3.020 20 30 GGEDRO CCCC(=O)Nc1cccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)c1 ZINC000104170542 1410886256 /nfs/dbraw/zinc/88/62/56/1410886256.db2.gz KJFAQLPWVUETLJ-UHFFFAOYSA-N 1 0 398.507 3.089 20 30 GGEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccccc2N2CCOCC2)c1 ZINC000104171258 1410886321 /nfs/dbraw/zinc/88/63/21/1410886321.db2.gz BWOUGEHYLARWDV-UHFFFAOYSA-N 1 0 398.507 3.247 20 30 GGEDRO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(CCC#N)CCC[NH+](C)C ZINC000104326716 1410892032 /nfs/dbraw/zinc/89/20/32/1410892032.db2.gz YEVPZTZYEHQZHT-UHFFFAOYSA-N 1 0 382.512 3.197 20 30 GGEDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000176931454 1428523486 /nfs/dbraw/zinc/52/34/86/1428523486.db2.gz VQBJADMMAAHVFQ-UHFFFAOYSA-N 1 0 376.416 3.439 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)NC(=O)Nc3ccccc3)CC2)c1 ZINC000104713925 1410937367 /nfs/dbraw/zinc/93/73/67/1410937367.db2.gz JTYKIKJODYFYPG-UHFFFAOYSA-N 1 0 392.459 3.140 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](CCCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000104714715 1410937567 /nfs/dbraw/zinc/93/75/67/1410937567.db2.gz UWGVRUPCEOAXMZ-UHFFFAOYSA-N 1 0 389.455 3.088 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)c1 ZINC000104714323 1410939037 /nfs/dbraw/zinc/93/90/37/1410939037.db2.gz JQSHOAZMQGSJJU-UHFFFAOYSA-N 1 0 394.862 3.263 20 30 GGEDRO COc1ccc(NC(=O)CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104716308 1410941083 /nfs/dbraw/zinc/94/10/83/1410941083.db2.gz UPZCICBWAVUHTL-UHFFFAOYSA-N 1 0 379.460 3.439 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC2)c1 ZINC000104715118 1410941125 /nfs/dbraw/zinc/94/11/25/1410941125.db2.gz GADDXEGRDMHUHV-UHFFFAOYSA-N 1 0 376.412 3.414 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc(F)ccc3F)CC2)cc1 ZINC000104805218 1410967317 /nfs/dbraw/zinc/96/73/17/1410967317.db2.gz WABUDMDHLKCQNC-UHFFFAOYSA-N 1 0 384.430 3.254 20 30 GGEDRO C=CCOc1ccccc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000104924980 1411000989 /nfs/dbraw/zinc/00/09/89/1411000989.db2.gz GLFAUGCXLHJLOZ-UHFFFAOYSA-N 1 0 380.488 3.138 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)COCc3ccccc3F)CC2)c1 ZINC000104963134 1411004022 /nfs/dbraw/zinc/00/40/22/1411004022.db2.gz WZLMFXIFJGDEHT-IBGZPJMESA-N 1 0 384.451 3.118 20 30 GGEDRO C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963311 1411005245 /nfs/dbraw/zinc/00/52/45/1411005245.db2.gz MGOILZHUYGIVPN-GOSISDBHSA-N 1 0 389.499 3.375 20 30 GGEDRO COCC[N@H+](C)CCCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000105040076 1411019926 /nfs/dbraw/zinc/01/99/26/1411019926.db2.gz DRSMMXXGCWNBCZ-UHFFFAOYSA-N 1 0 382.464 3.440 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccs1 ZINC000105062925 1411024177 /nfs/dbraw/zinc/02/41/77/1411024177.db2.gz UUNNDCXSICEKCU-LJQANCHMSA-N 1 0 398.532 3.475 20 30 GGEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000176965960 1428533274 /nfs/dbraw/zinc/53/32/74/1428533274.db2.gz GHRLLKAZTFHSBA-INIZCTEOSA-N 1 0 396.413 3.420 20 30 GGEDRO C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C[NH+]1CCCCC1 ZINC000105167292 1411037613 /nfs/dbraw/zinc/03/76/13/1411037613.db2.gz XLEYIRYBTZXTEV-SFHVURJKSA-N 1 0 384.524 3.233 20 30 GGEDRO C=CCc1cc(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1OC ZINC000105211255 1411042487 /nfs/dbraw/zinc/04/24/87/1411042487.db2.gz XBGHRUPSDZTFKM-QGZVFWFLSA-N 1 0 389.540 3.352 20 30 GGEDRO CCOc1cc2[nH+]ccc(N(C)CCCc3[nH]nc(N)c3C#N)c2cc1OCC ZINC000105340111 1411055489 /nfs/dbraw/zinc/05/54/89/1411055489.db2.gz FDWATNBFXKAQCH-UHFFFAOYSA-N 1 0 394.479 3.278 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000105356305 1411058004 /nfs/dbraw/zinc/05/80/04/1411058004.db2.gz NYNLZTKJDNWPCK-BRUSPLQXSA-N 1 0 378.419 3.375 20 30 GGEDRO C=C(Br)C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000105453724 1411068451 /nfs/dbraw/zinc/06/84/51/1411068451.db2.gz VTEDHKDXQRDTSO-UHFFFAOYSA-N 1 0 378.270 3.247 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](C)N1CCOCC1 ZINC000105501366 1411073373 /nfs/dbraw/zinc/07/33/73/1411073373.db2.gz YLJCDCAVJDXLJC-RTBURBONSA-N 1 0 379.504 3.336 20 30 GGEDRO N#Cc1ccccc1OCC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000105955377 1411133985 /nfs/dbraw/zinc/13/39/85/1411133985.db2.gz CSPRXFZXEVUXMF-UHFFFAOYSA-N 1 0 379.460 3.440 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)CC1 ZINC000106035788 1411154361 /nfs/dbraw/zinc/15/43/61/1411154361.db2.gz FGOIYFHWYFCKAT-OAHLLOKOSA-N 1 0 375.538 3.282 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC1 ZINC000106034398 1411154618 /nfs/dbraw/zinc/15/46/18/1411154618.db2.gz ASYZEZCXAMBCOX-UHFFFAOYSA-N 1 0 385.489 3.309 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)CC1 ZINC000106035400 1411154717 /nfs/dbraw/zinc/15/47/17/1411154717.db2.gz UNQIJHLMZRRTGS-AVRDEDQJSA-N 1 0 397.563 3.143 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000106035513 1411154889 /nfs/dbraw/zinc/15/48/89/1411154889.db2.gz HAPKHLOMFQKHOL-UHFFFAOYSA-N 1 0 390.549 3.173 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)CC1 ZINC000106035414 1411154909 /nfs/dbraw/zinc/15/49/09/1411154909.db2.gz OKHHIYUGTVUNSX-UHFFFAOYSA-N 1 0 382.508 3.215 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)CC1 ZINC000106035876 1411154922 /nfs/dbraw/zinc/15/49/22/1411154922.db2.gz SUIZXEIHRVUQKQ-LJQANCHMSA-N 1 0 398.551 3.396 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(CC)n(-c3ccccc3Cl)n2)CC1 ZINC000106035541 1411154992 /nfs/dbraw/zinc/15/49/92/1411154992.db2.gz SELSFACRQCQYJY-UHFFFAOYSA-N 1 0 387.915 3.253 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)CC1 ZINC000106035875 1411155356 /nfs/dbraw/zinc/15/53/56/1411155356.db2.gz SUIZXEIHRVUQKQ-IBGZPJMESA-N 1 0 398.551 3.396 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)CC1 ZINC000106034049 1411155380 /nfs/dbraw/zinc/15/53/80/1411155380.db2.gz YDJVRQKUVXDPIU-UHFFFAOYSA-N 1 0 378.520 3.440 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nncn2-c2ccccc2CC)CC1 ZINC000106037059 1411156231 /nfs/dbraw/zinc/15/62/31/1411156231.db2.gz BBMMKQCNFDTHJX-UHFFFAOYSA-N 1 0 399.564 3.079 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)CC1 ZINC000106038167 1411156288 /nfs/dbraw/zinc/15/62/88/1411156288.db2.gz INXSLRVZMHKAQC-UHFFFAOYSA-N 1 0 398.503 3.199 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000106038158 1411156513 /nfs/dbraw/zinc/15/65/13/1411156513.db2.gz CGBNHFHVQOOGRC-UHFFFAOYSA-N 1 0 379.545 3.371 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)CC1 ZINC000106037361 1411156523 /nfs/dbraw/zinc/15/65/23/1411156523.db2.gz OWKCIJQXKGREBX-UHFFFAOYSA-N 1 0 399.564 3.133 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)CC1 ZINC000106038070 1411156663 /nfs/dbraw/zinc/15/66/63/1411156663.db2.gz WVEGOFWNNSSALV-LJQANCHMSA-N 1 0 391.515 3.349 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 ZINC000106040260 1411157612 /nfs/dbraw/zinc/15/76/12/1411157612.db2.gz UTIDMEAIXDTOHD-KRWDZBQOSA-N 1 0 389.565 3.212 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000106256798 1411184650 /nfs/dbraw/zinc/18/46/50/1411184650.db2.gz KJWVXKHAJVPBKH-UHFFFAOYSA-N 1 0 385.430 3.467 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000106263672 1411186162 /nfs/dbraw/zinc/18/61/62/1411186162.db2.gz NYZUYQOBPMBPKK-INIZCTEOSA-N 1 0 375.513 3.413 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000106267036 1411187223 /nfs/dbraw/zinc/18/72/23/1411187223.db2.gz KVWBEMFKOMQHPT-KRWDZBQOSA-N 1 0 384.524 3.214 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)CC1 ZINC000106275440 1411188046 /nfs/dbraw/zinc/18/80/46/1411188046.db2.gz SSAMLXFGLDCTBS-UHFFFAOYSA-N 1 0 389.540 3.321 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000106275088 1411188794 /nfs/dbraw/zinc/18/87/94/1411188794.db2.gz PXFTVJCAHIGVLS-UHFFFAOYSA-N 1 0 388.531 3.084 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000106275244 1411188974 /nfs/dbraw/zinc/18/89/74/1411188974.db2.gz KDJXTVISEKRUDF-UHFFFAOYSA-N 1 0 392.931 3.398 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000106275872 1411189348 /nfs/dbraw/zinc/18/93/48/1411189348.db2.gz HFQQAODRIYOGIP-UHFFFAOYSA-N 1 0 399.535 3.340 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)CC1 ZINC000106275857 1411189657 /nfs/dbraw/zinc/18/96/57/1411189657.db2.gz LJCZQGZOUGOMNZ-HXUWFJFHSA-N 1 0 387.524 3.409 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OCCc3ccccc3)CC2)CC1 ZINC000106275715 1411189930 /nfs/dbraw/zinc/18/99/30/1411189930.db2.gz OAPXBTMWEFIZOA-UHFFFAOYSA-N 1 0 385.552 3.460 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000106275870 1411190183 /nfs/dbraw/zinc/19/01/83/1411190183.db2.gz ZNAFTRXFSCSKSI-UHFFFAOYSA-N 1 0 386.540 3.232 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000106317408 1411194177 /nfs/dbraw/zinc/19/41/77/1411194177.db2.gz SLXUGSHAMOKHNH-UHFFFAOYSA-N 1 0 384.524 3.475 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1 ZINC000106324359 1411195147 /nfs/dbraw/zinc/19/51/47/1411195147.db2.gz LPZRVJMFZKJDAB-UHFFFAOYSA-N 1 0 384.524 3.393 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCCC(C)C)c2)CC1 ZINC000106348888 1411201082 /nfs/dbraw/zinc/20/10/82/1411201082.db2.gz ABFCLDRKIWWTSB-UHFFFAOYSA-N 1 0 387.524 3.207 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000106348924 1411201139 /nfs/dbraw/zinc/20/11/39/1411201139.db2.gz YEPWCAQZJKPKKS-UHFFFAOYSA-N 1 0 383.464 3.097 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000106349381 1411201155 /nfs/dbraw/zinc/20/11/55/1411201155.db2.gz KAJUMCSXOIFEJT-UHFFFAOYSA-N 1 0 391.515 3.373 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3csc(C)n3)c2)CC1 ZINC000106349233 1411201307 /nfs/dbraw/zinc/20/13/07/1411201307.db2.gz HJJZYEDNMBUPMU-UHFFFAOYSA-N 1 0 398.532 3.214 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3nc(C)cs3)c2)CC1 ZINC000106349059 1411201467 /nfs/dbraw/zinc/20/14/67/1411201467.db2.gz ADVODCMJIAPXNW-UHFFFAOYSA-N 1 0 398.532 3.214 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCCCC)cc2C)CC1 ZINC000106348993 1411201807 /nfs/dbraw/zinc/20/18/07/1411201807.db2.gz CMCTYOKBTCFCAU-UHFFFAOYSA-N 1 0 387.524 3.269 20 30 GGEDRO CC[NH+]1CCN([C@@H]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C2)CC1 ZINC000106479608 1411223986 /nfs/dbraw/zinc/22/39/86/1411223986.db2.gz IEXXSVCLNAEXCF-OAHLLOKOSA-N 1 0 387.890 3.115 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000106575669 1411252085 /nfs/dbraw/zinc/25/20/85/1411252085.db2.gz PJDCJMHJJFRHQL-NRFANRHFSA-N 1 0 380.467 3.458 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(CC(F)F)C2CC2)c1=S ZINC000106857186 1411310240 /nfs/dbraw/zinc/31/02/40/1411310240.db2.gz OGHDJAFAJHACSZ-UHFFFAOYSA-N 1 0 385.528 3.315 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)cn1 ZINC000107575030 1411388778 /nfs/dbraw/zinc/38/87/78/1411388778.db2.gz RPDGBVVDWIQDAE-UHFFFAOYSA-N 1 0 376.382 3.176 20 30 GGEDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000177033393 1428562064 /nfs/dbraw/zinc/56/20/64/1428562064.db2.gz KFHOJYUTDDHVOX-KRWDZBQOSA-N 1 0 376.932 3.250 20 30 GGEDRO CN(CC[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccccc1 ZINC000107682497 1411397871 /nfs/dbraw/zinc/39/78/71/1411397871.db2.gz BCLSVFBERHOQET-LJQANCHMSA-N 1 0 385.471 3.292 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@H]2CCCOC2)c1C#N ZINC000107692825 1411398417 /nfs/dbraw/zinc/39/84/17/1411398417.db2.gz SHWVNMVPUXBRFT-HXUWFJFHSA-N 1 0 394.519 3.322 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@H]2CCCOC2)c1C#N ZINC000107690128 1411398642 /nfs/dbraw/zinc/39/86/42/1411398642.db2.gz VSODESFPYIUTOY-QGZVFWFLSA-N 1 0 398.482 3.402 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@H]2CCCOC2)c1C#N ZINC000107693975 1411398746 /nfs/dbraw/zinc/39/87/46/1411398746.db2.gz YVLXHHKEUNNMLC-QGZVFWFLSA-N 1 0 398.482 3.402 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000107709283 1411399842 /nfs/dbraw/zinc/39/98/42/1411399842.db2.gz BOTMYYGOXWZNON-UKRRQHHQSA-N 1 0 386.521 3.478 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000107709275 1411400095 /nfs/dbraw/zinc/40/00/95/1411400095.db2.gz BOTMYYGOXWZNON-HIFRSBDPSA-N 1 0 386.521 3.478 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000107747682 1411405269 /nfs/dbraw/zinc/40/52/69/1411405269.db2.gz GMNRYXCDPMZGLY-KRWDZBQOSA-N 1 0 385.430 3.079 20 30 GGEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)cs3)CC2)c1C ZINC000177043067 1428565585 /nfs/dbraw/zinc/56/55/85/1428565585.db2.gz SVEMKPUQYMBPIR-UHFFFAOYSA-N 1 0 398.532 3.377 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000108358252 1411480156 /nfs/dbraw/zinc/48/01/56/1411480156.db2.gz LINKLZVNRIMMEO-QGZVFWFLSA-N 1 0 386.565 3.437 20 30 GGEDRO CCCO[C@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000108395291 1411490083 /nfs/dbraw/zinc/49/00/83/1411490083.db2.gz DBNTUMPFEAMNAC-IBGZPJMESA-N 1 0 396.453 3.454 20 30 GGEDRO C=CC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(OC)cc1 ZINC000108406849 1411492373 /nfs/dbraw/zinc/49/23/73/1411492373.db2.gz MUWKNNPUJKSYRF-UHFFFAOYSA-N 1 0 381.476 3.099 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000108493012 1411519505 /nfs/dbraw/zinc/51/95/05/1411519505.db2.gz MXRMWHNXEIAHRT-FYYLOGMGSA-N 1 0 398.478 3.077 20 30 GGEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000108506422 1411523340 /nfs/dbraw/zinc/52/33/40/1411523340.db2.gz IQZXCLDYOMKFDK-QGZVFWFLSA-N 1 0 391.475 3.274 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000108508268 1411524368 /nfs/dbraw/zinc/52/43/68/1411524368.db2.gz GDNIVEXKVXYDSZ-HXUWFJFHSA-N 1 0 382.508 3.107 20 30 GGEDRO C#CCOc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000108521732 1411528412 /nfs/dbraw/zinc/52/84/12/1411528412.db2.gz CUMKGYJEZUDKPR-HXUWFJFHSA-N 1 0 377.488 3.385 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000108530439 1411531774 /nfs/dbraw/zinc/53/17/74/1411531774.db2.gz LYZKJZFPJXNPQO-MRXNPFEDSA-N 1 0 389.569 3.086 20 30 GGEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000108604199 1411548326 /nfs/dbraw/zinc/54/83/26/1411548326.db2.gz PSYVFHSQMINAGT-INIZCTEOSA-N 1 0 390.553 3.112 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108605208 1411549538 /nfs/dbraw/zinc/54/95/38/1411549538.db2.gz NVGSLOZMVGAMOC-MRXNPFEDSA-N 1 0 388.537 3.012 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C[N@@H+]1C1CC1 ZINC000177069922 1428576570 /nfs/dbraw/zinc/57/65/70/1428576570.db2.gz YZVWROGUSYPXJU-JXFKEZNVSA-N 1 0 375.472 3.492 20 30 GGEDRO N#Cc1ccc(CN2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000108703687 1411579748 /nfs/dbraw/zinc/57/97/48/1411579748.db2.gz OONOURDPRFEAFS-UHFFFAOYSA-N 1 0 388.515 3.112 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(COCc3ccccc3)c2)CC1 ZINC000108711839 1411581474 /nfs/dbraw/zinc/58/14/74/1411581474.db2.gz XMUNYXNXURYDPW-UHFFFAOYSA-N 1 0 376.500 3.365 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[N@@H+]1C1CC1 ZINC000177076244 1428579610 /nfs/dbraw/zinc/57/96/10/1428579610.db2.gz BSIHSUPWMLTYFQ-UZLBHIALSA-N 1 0 375.472 3.492 20 30 GGEDRO CC1CC[NH+](C[C@H]2CCCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000177077515 1428580403 /nfs/dbraw/zinc/58/04/03/1428580403.db2.gz PPAIDKGDNMEGAC-IEBWSBKVSA-N 1 0 386.565 3.169 20 30 GGEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccccc3F)cc2)CC1 ZINC000108799814 1411615761 /nfs/dbraw/zinc/61/57/61/1411615761.db2.gz NUDWGEQKEKQASP-OAQYLSRUSA-N 1 0 380.467 3.351 20 30 GGEDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000109020805 1411662288 /nfs/dbraw/zinc/66/22/88/1411662288.db2.gz CNXYRCRISSZVSV-UHFFFAOYSA-N 1 0 378.476 3.317 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)ccc1OC ZINC000109069932 1411674517 /nfs/dbraw/zinc/67/45/17/1411674517.db2.gz HZKGTVNPOVQXIO-GOSISDBHSA-N 1 0 397.523 3.240 20 30 GGEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000177094571 1428586525 /nfs/dbraw/zinc/58/65/25/1428586525.db2.gz FMHPUQSKCJMOPS-NRFANRHFSA-N 1 0 389.499 3.272 20 30 GGEDRO CCC[NH+]1CCN(c2ccc(NC(=O)C3(C#N)CCOCC3)cc2Cl)CC1 ZINC000109141172 1411693156 /nfs/dbraw/zinc/69/31/56/1411693156.db2.gz PHZXUGVZSKWNGW-UHFFFAOYSA-N 1 0 390.915 3.131 20 30 GGEDRO C=CC[N@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)CCc1ccccc1 ZINC000109356639 1411747113 /nfs/dbraw/zinc/74/71/13/1411747113.db2.gz RAJIMLLWCFXAIH-UHFFFAOYSA-N 1 0 388.533 3.046 20 30 GGEDRO CCC[NH+]1CCC(N(C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000109788194 1411810364 /nfs/dbraw/zinc/81/03/64/1411810364.db2.gz DHTCSFWCAQMXGM-GOSISDBHSA-N 1 0 377.492 3.030 20 30 GGEDRO COc1ccc([C@H](CNC(=O)Cc2ccc(OCC#N)cc2)[NH+]2CCCC2)cc1 ZINC000110170806 1411835539 /nfs/dbraw/zinc/83/55/39/1411835539.db2.gz CPLPLEDPEYYIKC-QFIPXVFZSA-N 1 0 393.487 3.093 20 30 GGEDRO CC(C)(CNC(=O)Cc1ccc(OCC#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000110204883 1411837754 /nfs/dbraw/zinc/83/77/54/1411837754.db2.gz UWWODTSKWZAAPZ-UHFFFAOYSA-N 1 0 377.488 3.085 20 30 GGEDRO N#Cc1ccc(OCC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000110423510 1411849902 /nfs/dbraw/zinc/84/99/02/1411849902.db2.gz SKFWULDODZBCFO-UHFFFAOYSA-N 1 0 375.432 3.262 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)CC1 ZINC000110492774 1411852924 /nfs/dbraw/zinc/85/29/24/1411852924.db2.gz RGQVSWWYEUZSJW-UHFFFAOYSA-N 1 0 382.533 3.059 20 30 GGEDRO N#CCOc1ccc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000110672819 1411863412 /nfs/dbraw/zinc/86/34/12/1411863412.db2.gz AUKXKHRDBPWICU-UHFFFAOYSA-N 1 0 383.517 3.221 20 30 GGEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000110975275 1411880213 /nfs/dbraw/zinc/88/02/13/1411880213.db2.gz QVIFCEGTJHCXFG-AWEZNQCLSA-N 1 0 390.915 3.167 20 30 GGEDRO CC[NH+](CC)[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000111034371 1411883141 /nfs/dbraw/zinc/88/31/41/1411883141.db2.gz RLYKRMQZMGVRDZ-QHCPKHFHSA-N 1 0 390.531 3.286 20 30 GGEDRO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](c2ccccc2)[NH+](CC)CC)c1 ZINC000111043146 1411883834 /nfs/dbraw/zinc/88/38/34/1411883834.db2.gz YBIPDNNVAYZWKT-QFIPXVFZSA-N 1 0 377.488 3.148 20 30 GGEDRO N#Cc1cccc(OCCCCC(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000111102108 1411887219 /nfs/dbraw/zinc/88/72/19/1411887219.db2.gz YLCHCYZRDFYQAY-UHFFFAOYSA-N 1 0 399.535 3.259 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(NC(N)=O)cc1)[n+]1cccc(C)c1 ZINC000111163181 1411892467 /nfs/dbraw/zinc/89/24/67/1411892467.db2.gz IXCSYMCTWUENFB-AWEZNQCLSA-O 1 0 385.513 3.100 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc(NC(N)=O)cc1)[n+]1ccc(CC)cc1 ZINC000111163134 1411892507 /nfs/dbraw/zinc/89/25/07/1411892507.db2.gz IUUOGAKRLSJAKG-UHFFFAOYSA-O 1 0 399.540 3.356 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC(C=C)CC2)c1=S ZINC000111166577 1411893204 /nfs/dbraw/zinc/89/32/04/1411893204.db2.gz ARDYZFKUUMHJAO-UHFFFAOYSA-N 1 0 375.586 3.484 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(n3ccnc3)CC2)ccc1Cl ZINC000111243096 1411897541 /nfs/dbraw/zinc/89/75/41/1411897541.db2.gz ODXCHKXMUYCWOO-UHFFFAOYSA-N 1 0 385.899 3.429 20 30 GGEDRO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000111257570 1411897915 /nfs/dbraw/zinc/89/79/15/1411897915.db2.gz IFSQOLNNACLVGL-MRXNPFEDSA-N 1 0 381.476 3.435 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000111261238 1411898263 /nfs/dbraw/zinc/89/82/63/1411898263.db2.gz OCJIBWMEZHQRCN-JOCHJYFZSA-N 1 0 380.488 3.227 20 30 GGEDRO C[C@@H](O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000111287021 1411899578 /nfs/dbraw/zinc/89/95/78/1411899578.db2.gz ZFKAZSVPVAUYBM-UONOGXRCSA-N 1 0 375.538 3.166 20 30 GGEDRO CN1CC[NH+](CCCCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000111718016 1412016072 /nfs/dbraw/zinc/01/60/72/1412016072.db2.gz GEUYLTRAUBJKDE-UHFFFAOYSA-N 1 0 390.531 3.236 20 30 GGEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000111769259 1412027356 /nfs/dbraw/zinc/02/73/56/1412027356.db2.gz SEKYLRYCXMPXCC-UHFFFAOYSA-N 1 0 383.455 3.231 20 30 GGEDRO C[C@H]1C[NH+](CCCNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@H](C)O1 ZINC000111770433 1412027850 /nfs/dbraw/zinc/02/78/50/1412027850.db2.gz AKSZFYIYNJUWHF-OALUTQOASA-N 1 0 392.503 3.102 20 30 GGEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C[NH+]1CCCC1 ZINC000111831905 1412035332 /nfs/dbraw/zinc/03/53/32/1412035332.db2.gz GSUPLZFGLJOZGN-KKXNLOMOSA-N 1 0 384.524 3.279 20 30 GGEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000111897400 1412046248 /nfs/dbraw/zinc/04/62/48/1412046248.db2.gz PDOXGFHIVMFHFC-IOJLRTSASA-N 1 0 382.508 3.128 20 30 GGEDRO CC(C)CN(CC[NH+](C)C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000111897353 1412046350 /nfs/dbraw/zinc/04/63/50/1412046350.db2.gz PWEZZZZGSBJOGO-UHFFFAOYSA-N 1 0 386.540 3.477 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(F)cc1F ZINC000112216901 1412094882 /nfs/dbraw/zinc/09/48/82/1412094882.db2.gz AMSGZFIAFASKJL-UHFFFAOYSA-N 1 0 386.446 3.152 20 30 GGEDRO COCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000112353916 1412134727 /nfs/dbraw/zinc/13/47/27/1412134727.db2.gz NHQXQQMUWNFVJG-AWEZNQCLSA-N 1 0 375.538 3.432 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)CC1 ZINC000112391332 1412138635 /nfs/dbraw/zinc/13/86/35/1412138635.db2.gz RMCAEPOAAAOAQM-UHFFFAOYSA-N 1 0 397.523 3.008 20 30 GGEDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2)ncn1 ZINC000112505485 1412158418 /nfs/dbraw/zinc/15/84/18/1412158418.db2.gz BVLCCBSRNPBOLF-HXUWFJFHSA-N 1 0 379.508 3.480 20 30 GGEDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3ccc(N(C)CCC#N)cc3)C2)ncn1 ZINC000112505737 1412158972 /nfs/dbraw/zinc/15/89/72/1412158972.db2.gz FQTHAGXNHMXUFK-FQEVSTJZSA-N 1 0 378.524 3.147 20 30 GGEDRO CCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000112523197 1412162338 /nfs/dbraw/zinc/16/23/38/1412162338.db2.gz WIUGVBGLHYXYNL-FYYLOGMGSA-N 1 0 382.552 3.171 20 30 GGEDRO CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000112523194 1412162522 /nfs/dbraw/zinc/16/25/22/1412162522.db2.gz WIUGVBGLHYXYNL-GGAORHGYSA-N 1 0 382.552 3.171 20 30 GGEDRO C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)C(=O)N(C)CCC#N ZINC000112534748 1412164586 /nfs/dbraw/zinc/16/45/86/1412164586.db2.gz JYEQPJYPPNWNLK-HNNXBMFYSA-N 1 0 397.441 3.104 20 30 GGEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000112543128 1412166201 /nfs/dbraw/zinc/16/62/01/1412166201.db2.gz DHFIPOKYWQKRBC-QHCPKHFHSA-N 1 0 389.499 3.439 20 30 GGEDRO Cc1cc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n2c3ccccc3nc2c1C#N ZINC000112556891 1412168167 /nfs/dbraw/zinc/16/81/67/1412168167.db2.gz NMVWVMAFCVBJIR-UHFFFAOYSA-N 1 0 399.502 3.113 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000112585940 1412172594 /nfs/dbraw/zinc/17/25/94/1412172594.db2.gz HTQAMGBWGHXBOV-LJQANCHMSA-N 1 0 396.878 3.278 20 30 GGEDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000112918506 1412240025 /nfs/dbraw/zinc/24/00/25/1412240025.db2.gz GHGSSFCSFSWCLD-UHFFFAOYSA-N 1 0 390.915 3.121 20 30 GGEDRO COc1ccc([C@H](CO)[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000112997510 1412253622 /nfs/dbraw/zinc/25/36/22/1412253622.db2.gz IHVFGJVEMCZMDC-SFHVURJKSA-N 1 0 399.516 3.111 20 30 GGEDRO CN(C(=O)Cc1ccc(OCC#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113092483 1412260955 /nfs/dbraw/zinc/26/09/55/1412260955.db2.gz NEJYASJWKQZIFE-UHFFFAOYSA-N 1 0 377.488 3.254 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(C[NH+](C)C)cc2)ccc1OC ZINC000113112282 1412264390 /nfs/dbraw/zinc/26/43/90/1412264390.db2.gz KBXANZIKZTWIIO-IBGZPJMESA-N 1 0 381.476 3.368 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(C[NH+](C)C)cc2)ccc1OC ZINC000113112285 1412264545 /nfs/dbraw/zinc/26/45/45/1412264545.db2.gz KBXANZIKZTWIIO-LJQANCHMSA-N 1 0 381.476 3.368 20 30 GGEDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccccc2OCC#N)CCOCC1)c1ccccc1 ZINC000113236458 1412280300 /nfs/dbraw/zinc/28/03/00/1412280300.db2.gz JYHWWXCVTSJAQQ-GOSISDBHSA-N 1 0 393.487 3.219 20 30 GGEDRO C[C@H]([NH2+]C1(CNC(=O)c2ccccc2OCC#N)CCOCC1)c1ccccc1 ZINC000113236456 1412280592 /nfs/dbraw/zinc/28/05/92/1412280592.db2.gz JYHWWXCVTSJAQQ-SFHVURJKSA-N 1 0 393.487 3.219 20 30 GGEDRO C[C@@H]([N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1(C)CC1 ZINC000177221181 1428638553 /nfs/dbraw/zinc/63/85/53/1428638553.db2.gz QXWKZERFCKQAFX-SJORKVTESA-N 1 0 398.551 3.476 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000113313420 1412291351 /nfs/dbraw/zinc/29/13/51/1412291351.db2.gz XTOUAIVPYMSSAL-QHCPKHFHSA-N 1 0 382.479 3.391 20 30 GGEDRO COc1ccc([C@@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000113318541 1412291496 /nfs/dbraw/zinc/29/14/96/1412291496.db2.gz USYSKLGBPFAPQK-NRFANRHFSA-N 1 0 376.460 3.296 20 30 GGEDRO N#CCCn1cc(C[NH2+]Cc2cccnc2-n2cccn2)c(-c2ccccc2)n1 ZINC000113320451 1412292554 /nfs/dbraw/zinc/29/25/54/1412292554.db2.gz AOKZBFKFDDJNDA-UHFFFAOYSA-N 1 0 383.459 3.334 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000113327585 1412293166 /nfs/dbraw/zinc/29/31/66/1412293166.db2.gz XKKUXKQUKDUSFP-FQEVSTJZSA-N 1 0 394.450 3.132 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000113327060 1412293239 /nfs/dbraw/zinc/29/32/39/1412293239.db2.gz LVRNNINFINJLGE-UHFFFAOYSA-N 1 0 382.479 3.479 20 30 GGEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1cccc(OCC#N)c1 ZINC000113378173 1412301116 /nfs/dbraw/zinc/30/11/16/1412301116.db2.gz SFNLVTZMSBXDBC-UHFFFAOYSA-N 1 0 380.492 3.429 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)NCc2cccc(OCC#N)c2)[NH+]2CCCC2)o1 ZINC000113386116 1412302199 /nfs/dbraw/zinc/30/21/99/1412302199.db2.gz JUARIIUWHHOKGG-LJQANCHMSA-N 1 0 382.464 3.127 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000113384581 1412302453 /nfs/dbraw/zinc/30/24/53/1412302453.db2.gz CUGFPSVTCJYUOS-UHFFFAOYSA-N 1 0 398.532 3.362 20 30 GGEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000113528586 1412311825 /nfs/dbraw/zinc/31/18/25/1412311825.db2.gz YKIFFYBJEHMRCH-MRXNPFEDSA-N 1 0 388.855 3.157 20 30 GGEDRO CCc1ccc([C@@H](CNC(=O)NCc2cccc(OCC#N)c2)[NH+](C)C)cc1 ZINC000113580514 1412317969 /nfs/dbraw/zinc/31/79/69/1412317969.db2.gz GYVUDLZBGWDEOJ-OAQYLSRUSA-N 1 0 380.492 3.253 20 30 GGEDRO C[C@H]([NH2+]C1(CNC(=O)NCc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000113590181 1412318813 /nfs/dbraw/zinc/31/88/13/1412318813.db2.gz KOAVWODDSNJKFB-SFHVURJKSA-N 1 0 392.503 3.257 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1OC ZINC000113591939 1412318885 /nfs/dbraw/zinc/31/88/85/1412318885.db2.gz XFFNLZIVDFNAOF-SJLPKXTDSA-N 1 0 388.512 3.050 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)ccc1OC ZINC000113620860 1412322649 /nfs/dbraw/zinc/32/26/49/1412322649.db2.gz RFJBDQNNLNNFSV-ROUUACIJSA-N 1 0 388.512 3.050 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)ccc1OC ZINC000113620863 1412322769 /nfs/dbraw/zinc/32/27/69/1412322769.db2.gz RFJBDQNNLNNFSV-ZWKOTPCHSA-N 1 0 388.512 3.050 20 30 GGEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000113971926 1412360499 /nfs/dbraw/zinc/36/04/99/1412360499.db2.gz POSHBDFWOOJBIW-HXUWFJFHSA-N 1 0 380.492 3.299 20 30 GGEDRO Cc1noc(C)c1[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000113978673 1412362552 /nfs/dbraw/zinc/36/25/52/1412362552.db2.gz ITNFQQBWBOMSNV-HNNXBMFYSA-N 1 0 381.480 3.142 20 30 GGEDRO Cc1noc(C)c1[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000113978670 1412362701 /nfs/dbraw/zinc/36/27/01/1412362701.db2.gz ITNFQQBWBOMSNV-OAHLLOKOSA-N 1 0 381.480 3.142 20 30 GGEDRO C[NH+](C)C1(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCOCC1 ZINC000113990786 1412363912 /nfs/dbraw/zinc/36/39/12/1412363912.db2.gz SROZFGNFCUOTOW-UHFFFAOYSA-N 1 0 379.460 3.191 20 30 GGEDRO C[NH+](C)C1(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCOCC1 ZINC000113991112 1412364730 /nfs/dbraw/zinc/36/47/30/1412364730.db2.gz BNOAKYMWJQFEHK-UHFFFAOYSA-N 1 0 397.450 3.330 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(OCC#N)c2)C1 ZINC000114028934 1412371528 /nfs/dbraw/zinc/37/15/28/1412371528.db2.gz GHIHVSPDKLOTIK-QUCCMNQESA-N 1 0 384.524 3.385 20 30 GGEDRO C[NH+]=C(NCc1nccn1C(F)F)N(C)Cc1ccccc1Br ZINC000114082070 1412378952 /nfs/dbraw/zinc/37/89/52/1412378952.db2.gz RAZSAUQAYIQIMG-UHFFFAOYSA-N 1 0 386.244 3.248 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N(C)Cc1ccccc1Cl ZINC000114085583 1412379344 /nfs/dbraw/zinc/37/93/44/1412379344.db2.gz WLBIAROWFWGAQP-UHFFFAOYSA-N 1 0 382.899 3.437 20 30 GGEDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000114187709 1412390094 /nfs/dbraw/zinc/39/00/94/1412390094.db2.gz LKLKZJCDWPBFKS-IAGOWNOFSA-N 1 0 375.538 3.453 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)[C@H]2CCc3ccccc32)sc2c1CCC2 ZINC000114192542 1412391393 /nfs/dbraw/zinc/39/13/93/1412391393.db2.gz QSJBMPTXAFHSPV-IBGZPJMESA-N 1 0 395.528 3.419 20 30 GGEDRO N#CCCN(C(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000114194052 1412392911 /nfs/dbraw/zinc/39/29/11/1412392911.db2.gz FJWAXEHYZFWQAM-JOCHJYFZSA-N 1 0 377.488 3.305 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@H+](CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000114206234 1412394231 /nfs/dbraw/zinc/39/42/31/1412394231.db2.gz RVUZEPHYBQHKQA-UHFFFAOYSA-N 1 0 387.487 3.359 20 30 GGEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000114257574 1412398450 /nfs/dbraw/zinc/39/84/50/1412398450.db2.gz KESMRMRRQXPERI-UHFFFAOYSA-N 1 0 388.471 3.328 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCCC2)CC1 ZINC000114294193 1412405055 /nfs/dbraw/zinc/40/50/55/1412405055.db2.gz CZMAVONYGNUYMU-UHFFFAOYSA-N 1 0 398.547 3.367 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472643 1412440938 /nfs/dbraw/zinc/44/09/38/1412440938.db2.gz MWRCERNUNLRFDK-IRXDYDNUSA-N 1 0 397.523 3.197 20 30 GGEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCc2ccccc2C1 ZINC000114488841 1412443291 /nfs/dbraw/zinc/44/32/91/1412443291.db2.gz UJIJVVAOKMXIBS-OAQYLSRUSA-N 1 0 385.471 3.172 20 30 GGEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cc(OC)ccc1O ZINC000114506266 1412448003 /nfs/dbraw/zinc/44/80/03/1412448003.db2.gz BOXONIXINOPLFC-UHFFFAOYSA-N 1 0 376.250 3.465 20 30 GGEDRO CC(C)c1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000114536294 1412455496 /nfs/dbraw/zinc/45/54/96/1412455496.db2.gz DSJQRNYAOMHVAR-UHFFFAOYSA-N 1 0 381.480 3.087 20 30 GGEDRO N#CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000114604314 1412473135 /nfs/dbraw/zinc/47/31/35/1412473135.db2.gz DYTBPHWTLHPXFR-KRWDZBQOSA-N 1 0 380.414 3.225 20 30 GGEDRO N#CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000114604316 1412473303 /nfs/dbraw/zinc/47/33/03/1412473303.db2.gz DYTBPHWTLHPXFR-QGZVFWFLSA-N 1 0 380.414 3.225 20 30 GGEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000114689275 1412497435 /nfs/dbraw/zinc/49/74/35/1412497435.db2.gz UZIWSCNCHPYDDI-OAQYLSRUSA-N 1 0 375.472 3.351 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000114746878 1412517110 /nfs/dbraw/zinc/51/71/10/1412517110.db2.gz LPQSYVLBRGNEAG-YCRPNKLZSA-N 1 0 388.471 3.363 20 30 GGEDRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000114747839 1412517220 /nfs/dbraw/zinc/51/72/20/1412517220.db2.gz AGJFVMBASIKODB-KXBFYZLASA-N 1 0 379.460 3.340 20 30 GGEDRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000114747392 1412517324 /nfs/dbraw/zinc/51/73/24/1412517324.db2.gz PKUPKXAZDNYTQV-JYJNAYRXSA-N 1 0 379.460 3.246 20 30 GGEDRO N#Cc1ccc(N2CC[C@@H]([NH2+]CC3(N4CCSCC4)CCCCC3)C2=O)cc1 ZINC000114752551 1412519371 /nfs/dbraw/zinc/51/93/71/1412519371.db2.gz RDVOSQZNARNPKR-HXUWFJFHSA-N 1 0 398.576 3.005 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114810912 1412531602 /nfs/dbraw/zinc/53/16/02/1412531602.db2.gz ABZCLJQIALUQBX-OAQYLSRUSA-N 1 0 392.503 3.389 20 30 GGEDRO N#Cc1ccc(OCc2cccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c2)cc1 ZINC000115341370 1412653333 /nfs/dbraw/zinc/65/33/33/1412653333.db2.gz HZGUZDWHSUUEIK-LJQANCHMSA-N 1 0 375.472 3.351 20 30 GGEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000115338995 1412653532 /nfs/dbraw/zinc/65/35/32/1412653532.db2.gz FRJKDWLBPSPSKW-UHFFFAOYSA-N 1 0 375.472 3.305 20 30 GGEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2)cc1 ZINC000115358547 1412659264 /nfs/dbraw/zinc/65/92/64/1412659264.db2.gz RZIRXJHGTOHXMP-NRFANRHFSA-N 1 0 375.472 3.448 20 30 GGEDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000115512111 1412697375 /nfs/dbraw/zinc/69/73/75/1412697375.db2.gz NGQARUJMFKCSLA-UWJYYQICSA-N 1 0 388.471 3.158 20 30 GGEDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000115512926 1412699289 /nfs/dbraw/zinc/69/92/89/1412699289.db2.gz OMULPKXATVQNSI-DYESRHJHSA-N 1 0 388.471 3.158 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115597063 1412725180 /nfs/dbraw/zinc/72/51/80/1412725180.db2.gz DLPUEEGCPQOZAB-JTSKRJEESA-N 1 0 376.504 3.106 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000115633550 1412740079 /nfs/dbraw/zinc/74/00/79/1412740079.db2.gz KIZBQTQMHIKJKX-UHFFFAOYSA-N 1 0 381.480 3.288 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCc1nccn1CCCc1ccccc1 ZINC000177290891 1428674132 /nfs/dbraw/zinc/67/41/32/1428674132.db2.gz RUJCENJDWYRSBL-UHFFFAOYSA-N 1 0 377.492 3.129 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116064481 1412826979 /nfs/dbraw/zinc/82/69/79/1412826979.db2.gz ONCNFBAXEGMJGI-QGZVFWFLSA-N 1 0 393.487 3.287 20 30 GGEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000177303680 1428679113 /nfs/dbraw/zinc/67/91/13/1428679113.db2.gz MKBYPWFDXDMZNW-CVEARBPZSA-N 1 0 386.565 3.386 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000177304447 1428680247 /nfs/dbraw/zinc/68/02/47/1428680247.db2.gz DSMADXQGQPOTIY-HOTGVXAUSA-N 1 0 387.505 3.251 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCc2ccccc2CC1 ZINC000116301486 1412848397 /nfs/dbraw/zinc/84/83/97/1412848397.db2.gz OKUOIMFUIMVCEQ-SFHVURJKSA-N 1 0 377.488 3.431 20 30 GGEDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000116372419 1412853243 /nfs/dbraw/zinc/85/32/43/1412853243.db2.gz MMIODSPNBXFPJE-OAHLLOKOSA-N 1 0 391.459 3.222 20 30 GGEDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000116449576 1412862014 /nfs/dbraw/zinc/86/20/14/1412862014.db2.gz CSPRCWQYNPOLHX-HXUWFJFHSA-N 1 0 393.487 3.173 20 30 GGEDRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)C(C)(C)C ZINC000116588929 1412884213 /nfs/dbraw/zinc/88/42/13/1412884213.db2.gz HKUAEDNRKWCXCQ-QGZVFWFLSA-N 1 0 390.553 3.113 20 30 GGEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000177319729 1428686111 /nfs/dbraw/zinc/68/61/11/1428686111.db2.gz PZWBUIPEFDYMSO-UHFFFAOYSA-N 1 0 390.491 3.159 20 30 GGEDRO COc1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000116879001 1412947218 /nfs/dbraw/zinc/94/72/18/1412947218.db2.gz YSXJXKDSNKJFRJ-HXUWFJFHSA-N 1 0 381.476 3.135 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)CC1 ZINC000117021040 1412982736 /nfs/dbraw/zinc/98/27/36/1412982736.db2.gz UPUUNZSWLKORCY-UHFFFAOYSA-N 1 0 388.512 3.483 20 30 GGEDRO CS[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000117507330 1413044239 /nfs/dbraw/zinc/04/42/39/1413044239.db2.gz KBUGIGMHMUSFLK-WOJBJXKFSA-N 1 0 386.565 3.450 20 30 GGEDRO CCOC(=O)CCCCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000117876053 1413085659 /nfs/dbraw/zinc/08/56/59/1413085659.db2.gz OFHXPKNRTYKIAK-UHFFFAOYSA-N 1 0 380.492 3.352 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000118092409 1413106881 /nfs/dbraw/zinc/10/68/81/1413106881.db2.gz NFSLMCUHGXUFMJ-FQEVSTJZSA-N 1 0 399.466 3.138 20 30 GGEDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000118095576 1413107580 /nfs/dbraw/zinc/10/75/80/1413107580.db2.gz SBVASHLLYDDCKT-UHFFFAOYSA-N 1 0 394.475 3.056 20 30 GGEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)C ZINC000118119948 1413113171 /nfs/dbraw/zinc/11/31/71/1413113171.db2.gz YQTVJOHIXQCZGZ-UHFFFAOYSA-N 1 0 394.475 3.136 20 30 GGEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000118117292 1413113180 /nfs/dbraw/zinc/11/31/80/1413113180.db2.gz XCWYSFBBULAZOR-INIZCTEOSA-N 1 0 394.475 3.136 20 30 GGEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000118123779 1413114185 /nfs/dbraw/zinc/11/41/85/1413114185.db2.gz KUVRMAVGIGFWIB-UHFFFAOYSA-N 1 0 394.475 3.054 20 30 GGEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000118125162 1413114260 /nfs/dbraw/zinc/11/42/60/1413114260.db2.gz QELLNJGUICPNHU-JKSUJKDBSA-N 1 0 388.537 3.010 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccccc3OC(F)F)CC2)cc1 ZINC000118307789 1413147186 /nfs/dbraw/zinc/14/71/86/1413147186.db2.gz RLMQSSMZHZPSCM-UHFFFAOYSA-N 1 0 399.441 3.437 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCS[C@H](C)[C@H]2C)c1=S ZINC000118383403 1413157711 /nfs/dbraw/zinc/15/77/11/1413157711.db2.gz KXGMJIGNFGXARH-IAGOWNOFSA-N 1 0 395.642 3.412 20 30 GGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000118392990 1413158304 /nfs/dbraw/zinc/15/83/04/1413158304.db2.gz FFSIWVDJGHVIDN-HNNXBMFYSA-N 1 0 387.480 3.201 20 30 GGEDRO C[C@@H](SCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000118445515 1413161118 /nfs/dbraw/zinc/16/11/18/1413161118.db2.gz ZALUYEVQRPHRNC-QGZVFWFLSA-N 1 0 380.517 3.486 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000118481730 1413165362 /nfs/dbraw/zinc/16/53/62/1413165362.db2.gz QKZNZKWQWGMTDL-KRWDZBQOSA-N 1 0 386.323 3.367 20 30 GGEDRO C[C@]([NH2+]CCCOc1ccc(C#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177380316 1428711347 /nfs/dbraw/zinc/71/13/47/1428711347.db2.gz JJTVAOSWKIWION-LJQANCHMSA-N 1 0 391.393 3.336 20 30 GGEDRO CC[N@@H+]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 ZINC000118826827 1413235119 /nfs/dbraw/zinc/23/51/19/1413235119.db2.gz LZFSSEAWLYSPAJ-UHFFFAOYSA-N 1 0 397.498 3.071 20 30 GGEDRO N#Cc1ccc(N2CC[C@H](N3CCC[C@H](C[NH+]4CCCCCC4)C3)C2=O)cc1 ZINC000118834158 1413236412 /nfs/dbraw/zinc/23/64/12/1413236412.db2.gz PZEBKMCAXPLFBZ-IRLDBZIGSA-N 1 0 380.536 3.252 20 30 GGEDRO Cc1cccnc1[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000118841040 1413241623 /nfs/dbraw/zinc/24/16/23/1413241623.db2.gz XMSAEIBWGANGCW-FQEVSTJZSA-N 1 0 388.475 3.373 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(-c2ccccc2)on1 ZINC000118878323 1413256811 /nfs/dbraw/zinc/25/68/11/1413256811.db2.gz QMOQFWNAJSJCFT-UHFFFAOYSA-N 1 0 388.471 3.346 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000118970308 1413281294 /nfs/dbraw/zinc/28/12/94/1413281294.db2.gz GTKOPQHREQCWIJ-UHFFFAOYSA-N 1 0 388.475 3.340 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1C#N ZINC000118994869 1413296769 /nfs/dbraw/zinc/29/67/69/1413296769.db2.gz RLJBKXWNCVKYAI-LJQANCHMSA-N 1 0 380.492 3.140 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000119178683 1413367139 /nfs/dbraw/zinc/36/71/39/1413367139.db2.gz NBRHUNHVEFHZOW-UHFFFAOYSA-N 1 0 396.462 3.294 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000119284024 1413398844 /nfs/dbraw/zinc/39/88/44/1413398844.db2.gz VNJCYWMMCPBLNB-OAQYLSRUSA-N 1 0 383.536 3.320 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cc2)C[C@@H](C)O1 ZINC000119368274 1413426240 /nfs/dbraw/zinc/42/62/40/1413426240.db2.gz ATDOHSKRUOHSQQ-HUUCEWRRSA-N 1 0 399.441 3.376 20 30 GGEDRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000177417166 1428727775 /nfs/dbraw/zinc/72/77/75/1428727775.db2.gz UCOYHKXCCVVLOE-YJYMSZOUSA-N 1 0 385.851 3.290 20 30 GGEDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000119458742 1413453814 /nfs/dbraw/zinc/45/38/14/1413453814.db2.gz PYFYFZYEYVTERM-INIZCTEOSA-N 1 0 387.505 3.210 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)Cc1cccc(C#N)c1 ZINC000119609739 1413502699 /nfs/dbraw/zinc/50/26/99/1413502699.db2.gz SPWZJDSVSFGGON-CTNGQTDRSA-N 1 0 381.501 3.004 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(C#N)cs2)cc1OC ZINC000177430269 1428734110 /nfs/dbraw/zinc/73/41/10/1428734110.db2.gz PPGUVRWPZWMDLB-UHFFFAOYSA-N 1 0 387.505 3.279 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000119699769 1413537152 /nfs/dbraw/zinc/53/71/52/1413537152.db2.gz AJSKWHUXDWNRPF-UTKZUKDTSA-N 1 0 379.529 3.428 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3=Cc4cc(F)ccc4OC3)CC2)cc1 ZINC000119701701 1413538125 /nfs/dbraw/zinc/53/81/25/1413538125.db2.gz RAGJQIFPLHXKQV-UHFFFAOYSA-N 1 0 391.446 3.208 20 30 GGEDRO N#CCOc1cccc(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000119942692 1413626090 /nfs/dbraw/zinc/62/60/90/1413626090.db2.gz YEWGCBUHXLBMAC-UHFFFAOYSA-N 1 0 381.451 3.051 20 30 GGEDRO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000119982625 1413641466 /nfs/dbraw/zinc/64/14/66/1413641466.db2.gz IHYHZHMWXHFSLZ-UHFFFAOYSA-N 1 0 397.544 3.410 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177455892 1428743873 /nfs/dbraw/zinc/74/38/73/1428743873.db2.gz MWLCURSAAFECGB-PKOBYXMFSA-N 1 0 392.565 3.311 20 30 GGEDRO N#CCOc1cccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000120025782 1413658133 /nfs/dbraw/zinc/65/81/33/1413658133.db2.gz ORZQVXZQMUFSNC-SFHVURJKSA-N 1 0 383.517 3.221 20 30 GGEDRO Cc1ccnc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000120064031 1413672870 /nfs/dbraw/zinc/67/28/70/1413672870.db2.gz DCDOYSMCDMZZJI-UHFFFAOYSA-N 1 0 383.883 3.066 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000120096388 1413686100 /nfs/dbraw/zinc/68/61/00/1413686100.db2.gz LZPCWMKBXFGHCS-GJZGRUSLSA-N 1 0 392.525 3.231 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000120099670 1413687229 /nfs/dbraw/zinc/68/72/29/1413687229.db2.gz IUMWSCHSMHITQH-SJORKVTESA-N 1 0 392.544 3.002 20 30 GGEDRO CCC(=O)Nc1ccc(Cl)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000120105828 1413689571 /nfs/dbraw/zinc/68/95/71/1413689571.db2.gz VRRSTACXPNVQSU-UHFFFAOYSA-N 1 0 379.892 3.388 20 30 GGEDRO C#CCOc1ccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000120113678 1413693304 /nfs/dbraw/zinc/69/33/04/1413693304.db2.gz GJJZYIJOEFWWGH-UHFFFAOYSA-N 1 0 385.508 3.055 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000120118117 1413694415 /nfs/dbraw/zinc/69/44/15/1413694415.db2.gz NMPKMCFEZWJVJD-SJLPKXTDSA-N 1 0 386.496 3.170 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000120117934 1413694457 /nfs/dbraw/zinc/69/44/57/1413694457.db2.gz NMPKMCFEZWJVJD-AEFFLSMTSA-N 1 0 386.496 3.170 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000120139430 1413703370 /nfs/dbraw/zinc/70/33/70/1413703370.db2.gz JGCRZQMDDHIEBD-SJLPKXTDSA-N 1 0 386.496 3.170 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000120138956 1413703426 /nfs/dbraw/zinc/70/34/26/1413703426.db2.gz JGCRZQMDDHIEBD-WMZOPIPTSA-N 1 0 386.496 3.170 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000120189007 1413724398 /nfs/dbraw/zinc/72/43/98/1413724398.db2.gz JXTGGYRUWNKFJG-DLBZAZTESA-N 1 0 399.516 3.076 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000120198604 1413728335 /nfs/dbraw/zinc/72/83/35/1413728335.db2.gz OXSUHDGLOZCISU-UHFFFAOYSA-N 1 0 399.539 3.448 20 30 GGEDRO CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(C)c1 ZINC000120248708 1413750415 /nfs/dbraw/zinc/75/04/15/1413750415.db2.gz MWSUGGKSYPZNEH-QGZVFWFLSA-N 1 0 387.528 3.223 20 30 GGEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)CN1CCOCC1 ZINC000120358360 1413801541 /nfs/dbraw/zinc/80/15/41/1413801541.db2.gz XIAAUYGGJAUEPV-IBGZPJMESA-N 1 0 379.504 3.195 20 30 GGEDRO Cc1cc(C(O)=CONC(=[NH2+])c2ccc(N(C)C)cc2)c(C)n1-c1nccs1 ZINC000120368251 1413803677 /nfs/dbraw/zinc/80/36/77/1413803677.db2.gz QTKFXSBBFPNDFF-UHFFFAOYSA-N 1 0 397.504 3.136 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000120408442 1413811644 /nfs/dbraw/zinc/81/16/44/1413811644.db2.gz QJEPCTSEBDDHGL-UHFFFAOYSA-N 1 0 387.430 3.487 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000120432916 1413816609 /nfs/dbraw/zinc/81/66/09/1413816609.db2.gz XNXYJRNMNPYEAB-UHFFFAOYSA-N 1 0 375.476 3.181 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000120455236 1413821643 /nfs/dbraw/zinc/82/16/43/1413821643.db2.gz KSCXFESLAHBWEM-QGZVFWFLSA-N 1 0 384.505 3.070 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000120462516 1413823637 /nfs/dbraw/zinc/82/36/37/1413823637.db2.gz YXLVFXYGHHZWOF-UHFFFAOYSA-N 1 0 390.381 3.466 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000120507109 1413832867 /nfs/dbraw/zinc/83/28/67/1413832867.db2.gz MIFMHJHCPDKGQC-QGZVFWFLSA-N 1 0 375.472 3.477 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000120534118 1413838003 /nfs/dbraw/zinc/83/80/03/1413838003.db2.gz CBZWBGNKLVZQCX-LJQANCHMSA-N 1 0 385.508 3.057 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1OC ZINC000120592899 1413850980 /nfs/dbraw/zinc/85/09/80/1413850980.db2.gz LKSHDOUDMGDKQJ-DOTOQJQBSA-N 1 0 390.528 3.152 20 30 GGEDRO C[NH+]1CCN(CCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000177479145 1428760204 /nfs/dbraw/zinc/76/02/04/1428760204.db2.gz YHWDMBJHIVKFRU-UHFFFAOYSA-N 1 0 394.544 3.077 20 30 GGEDRO C[C@H](C1CC1)N(C(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000177480949 1428760862 /nfs/dbraw/zinc/76/08/62/1428760862.db2.gz ZVNVCXOPAOINKM-QGZVFWFLSA-N 1 0 398.551 3.099 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCC2CCOCC2)c1C#N ZINC000120632696 1413861137 /nfs/dbraw/zinc/86/11/37/1413861137.db2.gz LEXYVTCVYBJAED-UHFFFAOYSA-N 1 0 398.507 3.305 20 30 GGEDRO C[C@@H](C1CC1)N(C(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000177480931 1428761128 /nfs/dbraw/zinc/76/11/28/1428761128.db2.gz ZVNVCXOPAOINKM-KRWDZBQOSA-N 1 0 398.551 3.099 20 30 GGEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1 ZINC000120668969 1413870339 /nfs/dbraw/zinc/87/03/39/1413870339.db2.gz LCLVGIZYMYZVIY-HDICACEKSA-N 1 0 393.487 3.379 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1C#N ZINC000120731125 1413887290 /nfs/dbraw/zinc/88/72/90/1413887290.db2.gz WVHJTUASFWIMLV-MSOLQXFVSA-N 1 0 398.507 3.039 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000120743469 1413890741 /nfs/dbraw/zinc/89/07/41/1413890741.db2.gz FPGFJGIYBFGCBU-QZTJIDSGSA-N 1 0 376.888 3.101 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1Cl ZINC000120744298 1413890817 /nfs/dbraw/zinc/89/08/17/1413890817.db2.gz XJIRKWDROKNYMJ-YLJYHZDGSA-N 1 0 398.894 3.216 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)ccc1Cl ZINC000120821960 1413915340 /nfs/dbraw/zinc/91/53/40/1413915340.db2.gz AOFKSLLYSPXGQE-UHFFFAOYSA-N 1 0 396.878 3.427 20 30 GGEDRO CCC(CC)(C[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)OC ZINC000120822213 1413915474 /nfs/dbraw/zinc/91/54/74/1413915474.db2.gz GCHOTYAFPKWABU-UHFFFAOYSA-N 1 0 391.537 3.396 20 30 GGEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1CCC(C)C ZINC000120900415 1413942405 /nfs/dbraw/zinc/94/24/05/1413942405.db2.gz WJLMLOVQMCKRHD-UHFFFAOYSA-N 1 0 381.524 3.313 20 30 GGEDRO COc1cccc(C2CC(=O)C(=CNCCC[NH+]3CCCCCC3)C(=O)C2)c1 ZINC000121039139 1413985936 /nfs/dbraw/zinc/98/59/36/1413985936.db2.gz RYFZACWRBPNXPP-UHFFFAOYSA-N 1 0 384.520 3.450 20 30 GGEDRO N#Cc1cc(F)c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c(F)c1 ZINC000121045714 1413988251 /nfs/dbraw/zinc/98/82/51/1413988251.db2.gz TZRQZHDNEPLJAD-UHFFFAOYSA-N 1 0 385.414 3.293 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000121070079 1413995816 /nfs/dbraw/zinc/99/58/16/1413995816.db2.gz OPHOIDXDDCWWMO-UHFFFAOYSA-N 1 0 393.487 3.467 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000177501653 1428772027 /nfs/dbraw/zinc/77/20/27/1428772027.db2.gz XFGQEQTWNDGTQP-INIZCTEOSA-N 1 0 383.496 3.061 20 30 GGEDRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)cc1 ZINC000121112046 1414011647 /nfs/dbraw/zinc/01/16/47/1414011647.db2.gz FMOHXRDWXGLAJD-UHFFFAOYSA-N 1 0 393.487 3.104 20 30 GGEDRO CN(C)[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000121150323 1414024921 /nfs/dbraw/zinc/02/49/21/1414024921.db2.gz BGUSUFCFBJAWPE-GZNCHQMQSA-N 1 0 378.476 3.062 20 30 GGEDRO C[C@@H]1CN(Cc2ccccc2CNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000121150970 1414025969 /nfs/dbraw/zinc/02/59/69/1414025969.db2.gz MTVTWQQIUHSYKD-GASCZTMLSA-N 1 0 399.441 3.376 20 30 GGEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000121169450 1414032022 /nfs/dbraw/zinc/03/20/22/1414032022.db2.gz AYSQVGVSLQZPJB-WQUXRXDGSA-N 1 0 384.524 3.276 20 30 GGEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000121211534 1414045385 /nfs/dbraw/zinc/04/53/85/1414045385.db2.gz ZPUJKAZVQWFJRF-GOSISDBHSA-N 1 0 379.464 3.014 20 30 GGEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000121340366 1414087701 /nfs/dbraw/zinc/08/77/01/1414087701.db2.gz PVEUUQINHHZMIU-UHFFFAOYSA-N 1 0 383.517 3.199 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000121474075 1414140119 /nfs/dbraw/zinc/14/01/19/1414140119.db2.gz FTUUJSLBKHLCBO-GUYCJALGSA-N 1 0 394.924 3.420 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000121502354 1414153144 /nfs/dbraw/zinc/15/31/44/1414153144.db2.gz NCBLJVJBQOUTCG-QFIPXVFZSA-N 1 0 375.472 3.380 20 30 GGEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)ccc1OC ZINC000121519882 1414159870 /nfs/dbraw/zinc/15/98/70/1414159870.db2.gz YRYYRSYTLGEJSO-HNNXBMFYSA-N 1 0 386.414 3.293 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl ZINC000121549547 1414172715 /nfs/dbraw/zinc/17/27/15/1414172715.db2.gz RWOLEVUKWQOHAH-MRXNPFEDSA-N 1 0 388.899 3.428 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000121572460 1414182891 /nfs/dbraw/zinc/18/28/91/1414182891.db2.gz LUEPNCQLCAFLNQ-ZIAGYGMSSA-N 1 0 399.318 3.389 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000121572890 1414183285 /nfs/dbraw/zinc/18/32/85/1414183285.db2.gz LUEPNCQLCAFLNQ-KBPBESRZSA-N 1 0 399.318 3.389 20 30 GGEDRO Cn1c(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)nc2cc(Cl)ccc21 ZINC000121625176 1414204700 /nfs/dbraw/zinc/20/47/00/1414204700.db2.gz CISDHLNMQYFTBL-UHFFFAOYSA-N 1 0 380.883 3.252 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1cccc(C)c1 ZINC000121774714 1414253571 /nfs/dbraw/zinc/25/35/71/1414253571.db2.gz JRDJBXGUPSWONR-UHFFFAOYSA-O 1 0 394.520 3.124 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccc(C)cc1 ZINC000121825852 1414270083 /nfs/dbraw/zinc/27/00/83/1414270083.db2.gz ZCCDCRPXRQQLES-UHFFFAOYSA-O 1 0 394.520 3.272 20 30 GGEDRO CCCNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1cccc(C)c1 ZINC000121828146 1414270647 /nfs/dbraw/zinc/27/06/47/1414270647.db2.gz JOFISDSTNBWDNC-UHFFFAOYSA-O 1 0 396.536 3.348 20 30 GGEDRO CCCNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccc(C)cc1 ZINC000121828692 1414271394 /nfs/dbraw/zinc/27/13/94/1414271394.db2.gz IOLAFTHPSSYJLV-UHFFFAOYSA-O 1 0 396.536 3.348 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccccc1 ZINC000121832061 1414272536 /nfs/dbraw/zinc/27/25/36/1414272536.db2.gz ISGRCXSZEMSILW-UHFFFAOYSA-O 1 0 396.536 3.429 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000121871477 1414285508 /nfs/dbraw/zinc/28/55/08/1414285508.db2.gz JMYQFVOECPHLRC-IBGZPJMESA-N 1 0 390.487 3.248 20 30 GGEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000121914591 1414305335 /nfs/dbraw/zinc/30/53/35/1414305335.db2.gz JKGIXHBHATUIDQ-OAQYLSRUSA-N 1 0 383.467 3.479 20 30 GGEDRO Cc1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C#N ZINC000121954615 1414322009 /nfs/dbraw/zinc/32/20/09/1414322009.db2.gz VRDFDNSQOYMOMX-BEFAXECRSA-N 1 0 389.546 3.290 20 30 GGEDRO N#Cc1cccc(OCCC[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000122154236 1414375691 /nfs/dbraw/zinc/37/56/91/1414375691.db2.gz QXJDFXKNIHBAFA-UHFFFAOYSA-N 1 0 379.489 3.154 20 30 GGEDRO C[NH+]=C(NCc1nc(C)cs1)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000177598528 1428807110 /nfs/dbraw/zinc/80/71/10/1428807110.db2.gz IYLAVLOGSRSHGZ-CQSZACIVSA-N 1 0 393.944 3.057 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Oc2ccc3c(c2)c(C(=O)OC)c(C)n3C2CC2)CC1 ZINC000122375569 1414439404 /nfs/dbraw/zinc/43/94/04/1414439404.db2.gz QWUHNIVWTURGII-UHFFFAOYSA-N 1 0 394.471 3.322 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)nc1Cl ZINC000122479818 1414476249 /nfs/dbraw/zinc/47/62/49/1414476249.db2.gz RMUBFVVFPFEJLH-UHFFFAOYSA-N 1 0 377.275 3.464 20 30 GGEDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000122600875 1414513197 /nfs/dbraw/zinc/51/31/97/1414513197.db2.gz ZETLWMBGXKTPHH-OAHLLOKOSA-N 1 0 389.443 3.072 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000122688620 1414539194 /nfs/dbraw/zinc/53/91/94/1414539194.db2.gz BRXGULJVFIWMEJ-QGZVFWFLSA-N 1 0 381.442 3.334 20 30 GGEDRO COc1cc(OC)c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000122828064 1414575202 /nfs/dbraw/zinc/57/52/02/1414575202.db2.gz KPVBLIJCDXJMQU-UHFFFAOYSA-N 1 0 395.503 3.292 20 30 GGEDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000177651009 1428822745 /nfs/dbraw/zinc/82/27/45/1428822745.db2.gz KABZLWNGKYLQFI-UHFFFAOYSA-N 1 0 389.443 3.120 20 30 GGEDRO N#Cc1cccc(NC(=O)C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000123104693 1414642920 /nfs/dbraw/zinc/64/29/20/1414642920.db2.gz NLSCUEMFOHLIID-UHFFFAOYSA-N 1 0 377.444 3.327 20 30 GGEDRO N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000177660697 1428825363 /nfs/dbraw/zinc/82/53/63/1428825363.db2.gz WGHVWFQNLRGICM-KRWDZBQOSA-N 1 0 384.499 3.001 20 30 GGEDRO Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=[NH2+])Nc2ccc(OC(C)C)cc2)cc1 ZINC000123185019 1414663348 /nfs/dbraw/zinc/66/33/48/1414663348.db2.gz STMNFJDNEQWWMV-MRXNPFEDSA-N 1 0 389.521 3.371 20 30 GGEDRO COCC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1 ZINC000123417657 1414724045 /nfs/dbraw/zinc/72/40/45/1414724045.db2.gz ORSBOHUXVUQXFG-UHFFFAOYSA-N 1 0 391.471 3.083 20 30 GGEDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000123536015 1414766586 /nfs/dbraw/zinc/76/65/86/1414766586.db2.gz VLJXGHXEMSONBI-QGZVFWFLSA-N 1 0 391.899 3.091 20 30 GGEDRO COCC[N@H+](C)CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000123621867 1414798441 /nfs/dbraw/zinc/79/84/41/1414798441.db2.gz HXLOCWCIDZCOTB-OAQYLSRUSA-N 1 0 377.492 3.005 20 30 GGEDRO COCC[N@H+](C)CC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000123621636 1414798987 /nfs/dbraw/zinc/79/89/87/1414798987.db2.gz HXLOCWCIDZCOTB-NRFANRHFSA-N 1 0 377.492 3.005 20 30 GGEDRO N#Cc1csc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1 ZINC000177701760 1428837478 /nfs/dbraw/zinc/83/74/78/1428837478.db2.gz KWVNTIXNLXFXBV-HNNXBMFYSA-N 1 0 381.379 3.413 20 30 GGEDRO C=CCc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC ZINC000123682926 1414809360 /nfs/dbraw/zinc/80/93/60/1414809360.db2.gz CAWKGNPUMMFGFW-IAGOWNOFSA-N 1 0 390.524 3.052 20 30 GGEDRO C=CCc1cc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000123682435 1414809466 /nfs/dbraw/zinc/80/94/66/1414809466.db2.gz CAWKGNPUMMFGFW-CALCHBBNSA-N 1 0 390.524 3.052 20 30 GGEDRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000123689984 1414810349 /nfs/dbraw/zinc/81/03/49/1414810349.db2.gz JVFBFXVSEOBROS-UHFFFAOYSA-N 1 0 396.516 3.067 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123751082 1414819649 /nfs/dbraw/zinc/81/96/49/1414819649.db2.gz YFHWUKGEWFCNMJ-HUUCEWRRSA-N 1 0 385.899 3.227 20 30 GGEDRO Cc1ccc(NC(=O)C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)nc1 ZINC000123864678 1414837959 /nfs/dbraw/zinc/83/79/59/1414837959.db2.gz UPQOCKLCNOPAED-UHFFFAOYSA-N 1 0 378.476 3.381 20 30 GGEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000123940913 1414853749 /nfs/dbraw/zinc/85/37/49/1414853749.db2.gz WDHUXRHSAJRMKF-IBGZPJMESA-N 1 0 389.499 3.016 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000123949976 1414856057 /nfs/dbraw/zinc/85/60/57/1414856057.db2.gz KYTDWJLJYLJVBQ-SFHVURJKSA-N 1 0 384.505 3.070 20 30 GGEDRO COc1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1OCCCC#N ZINC000124008092 1414867761 /nfs/dbraw/zinc/86/77/61/1414867761.db2.gz DBKQSNFXWHWKML-KRWDZBQOSA-N 1 0 376.403 3.479 20 30 GGEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000124010501 1414868473 /nfs/dbraw/zinc/86/84/73/1414868473.db2.gz LVOCRXDHNNBVNO-QGZVFWFLSA-N 1 0 380.467 3.232 20 30 GGEDRO Cc1ccccc1CCCON=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000124102727 1414886109 /nfs/dbraw/zinc/88/61/09/1414886109.db2.gz YSRAYTLCZIWEMX-UHFFFAOYSA-N 1 0 381.520 3.221 20 30 GGEDRO C=CCn1c(-c2ccccc2OC)nn(CN2CC[NH+](CC3CC3)CC2)c1=S ZINC000124203765 1414907877 /nfs/dbraw/zinc/90/78/77/1414907877.db2.gz SNGVDWNPKTUOJK-UHFFFAOYSA-N 1 0 399.564 3.261 20 30 GGEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[NH+](CC3CC3)CC2)c1=S ZINC000124218825 1414912241 /nfs/dbraw/zinc/91/22/41/1414912241.db2.gz DVKNOJCJCPLCNN-UHFFFAOYSA-N 1 0 383.565 3.176 20 30 GGEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124242626 1414918016 /nfs/dbraw/zinc/91/80/16/1414918016.db2.gz LGNZHXSXBUHACC-UHFFFAOYSA-N 1 0 393.459 3.155 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000124288054 1414930209 /nfs/dbraw/zinc/93/02/09/1414930209.db2.gz DLQJQBYPLRAXBS-FGZHOGPDSA-N 1 0 379.504 3.094 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)ccc1OC ZINC000124308958 1414935895 /nfs/dbraw/zinc/93/58/95/1414935895.db2.gz VCYQKRLVGDYZTL-VXKWHMMOSA-N 1 0 396.531 3.375 20 30 GGEDRO Cc1nc(SCC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(C#N)c(C)c1C ZINC000124335406 1414942703 /nfs/dbraw/zinc/94/27/03/1414942703.db2.gz FFQHTWKJOWSNFA-GOSISDBHSA-N 1 0 388.581 3.455 20 30 GGEDRO C[N@H+](CCCn1ccnc1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000124373635 1414951626 /nfs/dbraw/zinc/95/16/26/1414951626.db2.gz ZUXTYFATJIFBEI-UHFFFAOYSA-N 1 0 385.537 3.436 20 30 GGEDRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000124427540 1414966041 /nfs/dbraw/zinc/96/60/41/1414966041.db2.gz WQCALQGXLPLKKY-GOSISDBHSA-N 1 0 398.894 3.002 20 30 GGEDRO Cc1oc(NC(=O)CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000124444439 1414969949 /nfs/dbraw/zinc/96/99/49/1414969949.db2.gz ZFRRXJFDYBXJHG-UHFFFAOYSA-N 1 0 384.455 3.054 20 30 GGEDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000124445401 1414970000 /nfs/dbraw/zinc/97/00/00/1414970000.db2.gz CZVTWPNWSUTAMS-UHFFFAOYSA-N 1 0 389.443 3.072 20 30 GGEDRO C=CCOc1ccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1OC ZINC000124627300 1415008685 /nfs/dbraw/zinc/00/86/85/1415008685.db2.gz ARMMNCYAXOGPCR-UHFFFAOYSA-N 1 0 397.475 3.342 20 30 GGEDRO C[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C[NH+]1CCCC1 ZINC000125013630 1415091872 /nfs/dbraw/zinc/09/18/72/1415091872.db2.gz FDNCNFHDJVMUHM-ZDUSSCGKSA-N 1 0 384.402 3.353 20 30 GGEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000125019088 1415092841 /nfs/dbraw/zinc/09/28/41/1415092841.db2.gz HKKZJBQBCGVFKP-CVEARBPZSA-N 1 0 378.542 3.417 20 30 GGEDRO C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CC[C@H](c2cnn(C)c2)C1 ZINC000125111188 1415111058 /nfs/dbraw/zinc/11/10/58/1415111058.db2.gz ABVKFNARDIEPQI-HNNXBMFYSA-N 1 0 384.915 3.162 20 30 GGEDRO C[NH+](C)CCCCCCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000125115029 1415111643 /nfs/dbraw/zinc/11/16/43/1415111643.db2.gz AFICHAOOJRLBRL-UHFFFAOYSA-N 1 0 389.519 3.041 20 30 GGEDRO C=CCOc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000125154488 1415120450 /nfs/dbraw/zinc/12/04/50/1415120450.db2.gz HTRSYCHNUDYVSX-FQEVSTJZSA-N 1 0 380.488 3.138 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c(O)c1 ZINC000125159228 1415121340 /nfs/dbraw/zinc/12/13/40/1415121340.db2.gz PXJRDECPOCQOJJ-GXDFBKAQSA-N 1 0 395.503 3.337 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)[C@@H]2CCSC2)c1=S ZINC000125172263 1415123293 /nfs/dbraw/zinc/12/32/93/1415123293.db2.gz BBHJDJORXZWALA-MRXNPFEDSA-N 1 0 381.615 3.023 20 30 GGEDRO CC(C)Oc1ncccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000125233434 1415135596 /nfs/dbraw/zinc/13/55/96/1415135596.db2.gz FSIFWKNIXFGSQY-UHFFFAOYSA-N 1 0 381.480 3.336 20 30 GGEDRO CC[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000125255189 1415143003 /nfs/dbraw/zinc/14/30/03/1415143003.db2.gz MMRLVIMGDGTIKH-SJORKVTESA-N 1 0 384.524 3.088 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000125420173 1415192877 /nfs/dbraw/zinc/19/28/77/1415192877.db2.gz WKCJWHYTEVQNPE-LXPRWKDFSA-N 1 0 386.496 3.242 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000125419958 1415193088 /nfs/dbraw/zinc/19/30/88/1415193088.db2.gz WKCJWHYTEVQNPE-ADKAHSJRSA-N 1 0 386.496 3.242 20 30 GGEDRO COc1ccccc1-c1nc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000125489045 1415212922 /nfs/dbraw/zinc/21/29/22/1415212922.db2.gz DHUXLMBDSAYYBK-UHFFFAOYSA-N 1 0 382.493 3.060 20 30 GGEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)C1 ZINC000125528080 1415220707 /nfs/dbraw/zinc/22/07/07/1415220707.db2.gz URNYVHLKXSLTNI-KOENEWCDSA-N 1 0 379.479 3.413 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[NH+](CC(C)C)CC2)c1=S ZINC000177886164 1428883077 /nfs/dbraw/zinc/88/30/77/1428883077.db2.gz NWMGKBWNFFFUDH-UHFFFAOYSA-N 1 0 386.569 3.283 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000177895775 1428885952 /nfs/dbraw/zinc/88/59/52/1428885952.db2.gz KGPJALWVWVSKTB-GOSISDBHSA-N 1 0 398.528 3.334 20 30 GGEDRO C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000177899423 1428886935 /nfs/dbraw/zinc/88/69/35/1428886935.db2.gz BCIYWQJSYQEAGS-CQSZACIVSA-N 1 0 399.445 3.471 20 30 GGEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177902739 1428887617 /nfs/dbraw/zinc/88/76/17/1428887617.db2.gz FTMYBBOHKSBJFN-IYBDPMFKSA-N 1 0 388.487 3.441 20 30 GGEDRO N#CCSc1ccccc1NC(=O)CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000177941814 1428896389 /nfs/dbraw/zinc/89/63/89/1428896389.db2.gz XHGPXAKYDBXFDX-SCTDSRPQSA-N 1 0 384.549 3.047 20 30 GGEDRO C=CCNc1ncc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)s1 ZINC000125966345 1415324336 /nfs/dbraw/zinc/32/43/36/1415324336.db2.gz LPJIBKUIWGAPCZ-MRXNPFEDSA-N 1 0 398.532 3.459 20 30 GGEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000125993405 1415332108 /nfs/dbraw/zinc/33/21/08/1415332108.db2.gz YPUWCLJRDBOYLI-KNQAVFIVSA-N 1 0 392.503 3.434 20 30 GGEDRO CC(C)(C)OC(=O)Nc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000126015360 1415336778 /nfs/dbraw/zinc/33/67/78/1415336778.db2.gz FPAPTWCVJBAYNE-LJQANCHMSA-N 1 0 394.475 3.264 20 30 GGEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000126051071 1415345301 /nfs/dbraw/zinc/34/53/01/1415345301.db2.gz HFZZPFCJLXJIGN-UWJYYQICSA-N 1 0 396.466 3.264 20 30 GGEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC000126100997 1415358256 /nfs/dbraw/zinc/35/82/56/1415358256.db2.gz FXAVMVKFQGFCRA-GOSISDBHSA-N 1 0 382.508 3.128 20 30 GGEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC000126168592 1415375530 /nfs/dbraw/zinc/37/55/30/1415375530.db2.gz BRLHQEBDVGXPQZ-UHFFFAOYSA-N 1 0 397.544 3.429 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCOc3cc(Br)c(Cl)cc32)CC1 ZINC000178013044 1428934369 /nfs/dbraw/zinc/93/43/69/1428934369.db2.gz VYBYKCGKJQKSGR-UHFFFAOYSA-N 1 0 397.700 3.173 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000177996891 1428922635 /nfs/dbraw/zinc/92/26/35/1428922635.db2.gz OEMPQJUIASYSHE-NHCUHLMSSA-N 1 0 382.508 3.011 20 30 GGEDRO Cc1nc(SCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C#N)c(C)c1C ZINC000126644814 1415515524 /nfs/dbraw/zinc/51/55/24/1415515524.db2.gz SVGLNOZZXCSMRI-YLJYHZDGSA-N 1 0 398.576 3.446 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000126749765 1415546759 /nfs/dbraw/zinc/54/67/59/1415546759.db2.gz YUPRKCSJMABMJX-MRXNPFEDSA-N 1 0 393.528 3.363 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000126779634 1415556268 /nfs/dbraw/zinc/55/62/68/1415556268.db2.gz AEBHAVCSTXFTFF-INIZCTEOSA-N 1 0 386.323 3.367 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178041311 1428952489 /nfs/dbraw/zinc/95/24/89/1428952489.db2.gz NZAWQJCFLAVSNM-IBGZPJMESA-N 1 0 393.487 3.088 20 30 GGEDRO C=CCC[C@H](O)C[NH+]1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 ZINC000178042323 1428953162 /nfs/dbraw/zinc/95/31/62/1428953162.db2.gz NLVYAAJSBBCYFA-IBGZPJMESA-N 1 0 387.549 3.263 20 30 GGEDRO N#Cc1ccc(OCCC[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000178041852 1428953386 /nfs/dbraw/zinc/95/33/86/1428953386.db2.gz FRJBKGOCDLPZRW-HXUWFJFHSA-N 1 0 377.488 3.469 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(Cl)nc3)CC2)cc1 ZINC000126887032 1415595553 /nfs/dbraw/zinc/59/55/53/1415595553.db2.gz VGIBUZHGLWNTNE-UHFFFAOYSA-N 1 0 383.883 3.024 20 30 GGEDRO N#Cc1ccc(SCC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000127050744 1415648685 /nfs/dbraw/zinc/64/86/85/1415648685.db2.gz BCSQUDTWVNTGHC-UHFFFAOYSA-N 1 0 395.528 3.493 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(C2N=NC(=S)O2)cc1)C(C)C ZINC000127062936 1415650685 /nfs/dbraw/zinc/65/06/85/1415650685.db2.gz LQGXLVPYBBSUNW-QGZVFWFLSA-N 1 0 386.521 3.454 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000127214800 1415689243 /nfs/dbraw/zinc/68/92/43/1415689243.db2.gz OUKCCPRGQMBJTG-QGZVFWFLSA-N 1 0 391.581 3.230 20 30 GGEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)C[C@@H](C)O1 ZINC000127237558 1415698729 /nfs/dbraw/zinc/69/87/29/1415698729.db2.gz QQOVWHJESMKSGN-HUUCEWRRSA-N 1 0 391.462 3.188 20 30 GGEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000127268084 1415709893 /nfs/dbraw/zinc/70/98/93/1415709893.db2.gz LSVCWXGNENCGIW-FQEVSTJZSA-N 1 0 383.879 3.093 20 30 GGEDRO C[C@H](C#N)Oc1ccc(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000127495623 1415800892 /nfs/dbraw/zinc/80/08/92/1415800892.db2.gz AKABTXBLZHKHRR-XLIONFOSSA-N 1 0 392.503 3.287 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000127527344 1415805342 /nfs/dbraw/zinc/80/53/42/1415805342.db2.gz LZCCTGSHSBSDPR-WNEKZRJFSA-N 1 0 394.519 3.392 20 30 GGEDRO CC[N@H+](C)[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1 ZINC000127566037 1415811078 /nfs/dbraw/zinc/81/10/78/1415811078.db2.gz FNJYALRRSKZTKI-JOCHJYFZSA-N 1 0 392.503 3.151 20 30 GGEDRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000127585542 1415814377 /nfs/dbraw/zinc/81/43/77/1415814377.db2.gz BEIQQOSNPMPGCW-KGLIPLIRSA-N 1 0 380.448 3.203 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCC(=O)N3)C(=S)NC(C)(C)C)cc1 ZINC000127679845 1415831402 /nfs/dbraw/zinc/83/14/02/1415831402.db2.gz QKRCVLRKLKDDJI-UHFFFAOYSA-O 1 0 396.536 3.494 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)Cc3cccc(C#N)c3)cc2)C1 ZINC000127738203 1415841818 /nfs/dbraw/zinc/84/18/18/1415841818.db2.gz LIKNPECQUQAQCV-GOSISDBHSA-N 1 0 397.544 3.410 20 30 GGEDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000127837914 1415860246 /nfs/dbraw/zinc/86/02/46/1415860246.db2.gz BNEZZDCWSGRFJV-INIZCTEOSA-N 1 0 380.366 3.329 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CCOC)CC2)cc1 ZINC000127890592 1415870760 /nfs/dbraw/zinc/87/07/60/1415870760.db2.gz TZQRTKZUOIPOMV-MRXNPFEDSA-N 1 0 380.916 3.496 20 30 GGEDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1Cl ZINC000128051778 1415901408 /nfs/dbraw/zinc/90/14/08/1415901408.db2.gz JWXMMIJKTXWIMC-UHFFFAOYSA-N 1 0 387.867 3.364 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(Oc3ccccc3)c2)c1C#N ZINC000128174169 1415931309 /nfs/dbraw/zinc/93/13/09/1415931309.db2.gz LICBNPYRDOODHC-UHFFFAOYSA-N 1 0 375.432 3.478 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2Oc2ccccc2)c1C#N ZINC000128182211 1415932853 /nfs/dbraw/zinc/93/28/53/1415932853.db2.gz VQCZPWGCFWDNJD-UHFFFAOYSA-N 1 0 375.432 3.478 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)c1C#N ZINC000128198294 1415937375 /nfs/dbraw/zinc/93/73/75/1415937375.db2.gz BNJQTIHKZMPPOS-OAHLLOKOSA-N 1 0 383.496 3.271 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(-c3ccccc3F)o2)c1C#N ZINC000128200793 1415937598 /nfs/dbraw/zinc/93/75/98/1415937598.db2.gz DJRSYRWJARNURF-UHFFFAOYSA-N 1 0 395.438 3.404 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(-c3ccccc3)nc2C)c1C#N ZINC000128208848 1415939603 /nfs/dbraw/zinc/93/96/03/1415939603.db2.gz CZFGUBBGCQSCEE-UHFFFAOYSA-N 1 0 380.477 3.118 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1C#N ZINC000128221025 1415942843 /nfs/dbraw/zinc/94/28/43/1415942843.db2.gz CGHUHOSXCNFSBT-AWEZNQCLSA-N 1 0 383.496 3.137 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(NC(=O)OC)cc(C(F)(F)F)c2)CC1 ZINC000178232846 1429025506 /nfs/dbraw/zinc/02/55/06/1429025506.db2.gz QSNGXFYYRUBKBT-UHFFFAOYSA-N 1 0 385.386 3.264 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000178233110 1429025715 /nfs/dbraw/zinc/02/57/15/1429025715.db2.gz YHSIZMVVMAJLBJ-MSOLQXFVSA-N 1 0 393.572 3.426 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000128512026 1416003539 /nfs/dbraw/zinc/00/35/39/1416003539.db2.gz GKKHZYNWIQZUIK-UHFFFAOYSA-N 1 0 379.460 3.489 20 30 GGEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000178294626 1429044677 /nfs/dbraw/zinc/04/46/77/1429044677.db2.gz ITAFQOJCYPONGC-UHFFFAOYSA-N 1 0 381.451 3.314 20 30 GGEDRO C=CCC(CC=C)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000128686085 1416043039 /nfs/dbraw/zinc/04/30/39/1416043039.db2.gz KTPFKFJUBSYWHE-HXUWFJFHSA-N 1 0 382.552 3.211 20 30 GGEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000128753212 1416059000 /nfs/dbraw/zinc/05/90/00/1416059000.db2.gz OKMBKYVGKUFIAI-UHFFFAOYSA-N 1 0 392.503 3.339 20 30 GGEDRO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000178303453 1429046816 /nfs/dbraw/zinc/04/68/16/1429046816.db2.gz BKIQORNNSKDKHU-GBESFXJTSA-N 1 0 377.271 3.489 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c(OC)c1 ZINC000128914052 1416100355 /nfs/dbraw/zinc/10/03/55/1416100355.db2.gz GCPFODXNBVEQKY-AABGKKOBSA-N 1 0 385.508 3.133 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccccc1 ZINC000178409541 1429072573 /nfs/dbraw/zinc/07/25/73/1429072573.db2.gz UMCCCOULUQZDPY-HXUWFJFHSA-N 1 0 378.476 3.005 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC1 ZINC000178383806 1429066228 /nfs/dbraw/zinc/06/62/28/1429066228.db2.gz MBTNCBZQUIJEAW-SFTDATJTSA-N 1 0 379.508 3.061 20 30 GGEDRO CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000129171427 1416162054 /nfs/dbraw/zinc/16/20/54/1416162054.db2.gz RJLHUHLPMCAMMU-UHFFFAOYSA-N 1 0 390.487 3.045 20 30 GGEDRO Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c(O[C@@H]2CCOC2)c1 ZINC000129178381 1416164315 /nfs/dbraw/zinc/16/43/15/1416164315.db2.gz UNGJAELCDQQGIF-MJGOQNOKSA-N 1 0 381.476 3.091 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCN(c3ccccc3OC)C2=O)c(O)c1 ZINC000129388713 1416201508 /nfs/dbraw/zinc/20/15/08/1416201508.db2.gz RYMDHOHRJRFVJJ-FSTGKYBXSA-N 1 0 381.476 3.471 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2Br)CC1)N(C)C[C@H]1CCOC1 ZINC000129514184 1416221051 /nfs/dbraw/zinc/22/10/51/1416221051.db2.gz WFDYOXDJRHLXGR-CQSZACIVSA-N 1 0 380.330 3.024 20 30 GGEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000129713926 1416252486 /nfs/dbraw/zinc/25/24/86/1416252486.db2.gz MBGWQUHSPZLNKZ-QFIPXVFZSA-N 1 0 395.503 3.218 20 30 GGEDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000129883950 1416279633 /nfs/dbraw/zinc/27/96/33/1416279633.db2.gz SRNNNEDZUPFBJW-UHFFFAOYSA-N 1 0 398.488 3.392 20 30 GGEDRO COc1cc(CN2CC[NH+](CCCC(C)(C)C#N)CC2)cc(OC)c1OC ZINC000178468469 1429084166 /nfs/dbraw/zinc/08/41/66/1429084166.db2.gz SYOHOOXDLXIWHV-UHFFFAOYSA-N 1 0 375.513 3.160 20 30 GGEDRO CC(C)[C@@H](CC[N@H+](C)CC(=O)NC1(C#N)CCCCC1)NC(=O)OC(C)(C)C ZINC000178467712 1429084348 /nfs/dbraw/zinc/08/43/48/1429084348.db2.gz TZJCQKYXMSDVJV-QGZVFWFLSA-N 1 0 394.560 3.200 20 30 GGEDRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)Nc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000130072910 1416312232 /nfs/dbraw/zinc/31/22/32/1416312232.db2.gz KTAWXFGMTRLIJM-QGZVFWFLSA-N 1 0 390.487 3.277 20 30 GGEDRO C[C@H]([NH2+]C1(CNC(=O)C(=O)Nc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000130072667 1416312494 /nfs/dbraw/zinc/31/24/94/1416312494.db2.gz KTAWXFGMTRLIJM-KRWDZBQOSA-N 1 0 390.487 3.277 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[NH+](C3CCCC3)CC2)ccc1Cl ZINC000130128009 1416323377 /nfs/dbraw/zinc/32/33/77/1416323377.db2.gz XEWGYMTWDWFXQM-UHFFFAOYSA-N 1 0 388.943 3.455 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000178485168 1429087707 /nfs/dbraw/zinc/08/77/07/1429087707.db2.gz LOALGDTVQYZSEA-INIZCTEOSA-N 1 0 378.476 3.051 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000178485179 1429088090 /nfs/dbraw/zinc/08/80/90/1429088090.db2.gz LOALGDTVQYZSEA-MRXNPFEDSA-N 1 0 378.476 3.051 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000178527414 1429097113 /nfs/dbraw/zinc/09/71/13/1429097113.db2.gz VJCVPKZAGOMSOR-QGZVFWFLSA-N 1 0 396.535 3.308 20 30 GGEDRO CCc1cnc(CNC(N[C@H]2CCCN(c3cccc(F)c3)C2)=[NH+]C)s1 ZINC000130609846 1416409182 /nfs/dbraw/zinc/40/91/82/1416409182.db2.gz RGPPGIRQRRSWFO-HNNXBMFYSA-N 1 0 375.517 3.179 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000130619499 1416412082 /nfs/dbraw/zinc/41/20/82/1416412082.db2.gz PKQNLCPREIVOQZ-SFTDATJTSA-N 1 0 392.503 3.245 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)c1C#N ZINC000130661337 1416420074 /nfs/dbraw/zinc/42/00/74/1416420074.db2.gz DSTYWAOCOOCFSE-MJGOQNOKSA-N 1 0 399.539 3.054 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)Cc2cccc(OCC#N)c2)[NH+]2CCCC2)cc1 ZINC000130699662 1416428341 /nfs/dbraw/zinc/42/83/41/1416428341.db2.gz XAQSQJPKWVQXRG-JOCHJYFZSA-N 1 0 393.487 3.093 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000178525819 1429097369 /nfs/dbraw/zinc/09/73/69/1429097369.db2.gz YSJFSZRBKBDKFK-LJQANCHMSA-N 1 0 387.524 3.409 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130820170 1416458896 /nfs/dbraw/zinc/45/88/96/1416458896.db2.gz PXNLQJIFPFOJPJ-FQEVSTJZSA-N 1 0 381.432 3.065 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000130835110 1416463210 /nfs/dbraw/zinc/46/32/10/1416463210.db2.gz OTWCVZATYKXVPO-NRFANRHFSA-N 1 0 386.540 3.084 20 30 GGEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000130862069 1416469853 /nfs/dbraw/zinc/46/98/53/1416469853.db2.gz WFUOAMUMTOITKM-INIZCTEOSA-N 1 0 389.521 3.453 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000178537823 1429101056 /nfs/dbraw/zinc/10/10/56/1429101056.db2.gz XOCPVXUBFXFGLW-HXUWFJFHSA-N 1 0 399.535 3.288 20 30 GGEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000130978008 1416490940 /nfs/dbraw/zinc/49/09/40/1416490940.db2.gz IZCDOEDCYAADCF-CYBMUJFWSA-N 1 0 381.436 3.284 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131229672 1416526979 /nfs/dbraw/zinc/52/69/79/1416526979.db2.gz NDXPBDUOUYOIQE-RBUKOAKNSA-N 1 0 379.508 3.010 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131229893 1416527029 /nfs/dbraw/zinc/52/70/29/1416527029.db2.gz NDXPBDUOUYOIQE-RTBURBONSA-N 1 0 379.508 3.010 20 30 GGEDRO COc1ccc(C(=O)C(C(=S)NCCSC)[n+]2ccc(C)cc2)cc1 ZINC000131240578 1416528342 /nfs/dbraw/zinc/52/83/42/1416528342.db2.gz HHFZEXPMYKUBSH-UHFFFAOYSA-O 1 0 375.539 3.183 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C)cc1 ZINC000131239964 1416528398 /nfs/dbraw/zinc/52/83/98/1416528398.db2.gz KGHSTTRSMSGRAM-UHFFFAOYSA-O 1 0 381.493 3.452 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1C ZINC000131287242 1416535316 /nfs/dbraw/zinc/53/53/16/1416535316.db2.gz IUPKHKIMGWXUHE-FQEVSTJZSA-N 1 0 393.535 3.238 20 30 GGEDRO C=CCOc1cccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000131304734 1416537340 /nfs/dbraw/zinc/53/73/40/1416537340.db2.gz ODOFYPSVYBXXIK-PMACEKPBSA-N 1 0 381.476 3.008 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1cccc(C)c1 ZINC000131311435 1416538644 /nfs/dbraw/zinc/53/86/44/1416538644.db2.gz WHTFIHZPFSVAFP-UHFFFAOYSA-O 1 0 390.510 3.082 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1cccc(CO)c1 ZINC000131313183 1416538770 /nfs/dbraw/zinc/53/87/70/1416538770.db2.gz DQWJEIAKWKDAFS-UHFFFAOYSA-O 1 0 395.957 3.011 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C)cc1 ZINC000131323619 1416539794 /nfs/dbraw/zinc/53/97/94/1416539794.db2.gz QQPCYQCBHBJYGX-UHFFFAOYSA-O 1 0 390.510 3.082 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000178567466 1429108725 /nfs/dbraw/zinc/10/87/25/1429108725.db2.gz DJIFOUIVADVKRT-GOSISDBHSA-N 1 0 398.507 3.366 20 30 GGEDRO COCc1cc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)ccc1F ZINC000178569875 1429109518 /nfs/dbraw/zinc/10/95/18/1429109518.db2.gz KDURDRVOYZISSA-UHFFFAOYSA-N 1 0 385.361 3.475 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1OCCCC#N ZINC000131632024 1416587141 /nfs/dbraw/zinc/58/71/41/1416587141.db2.gz WUPFONJDTWUPGA-IBGZPJMESA-N 1 0 385.508 3.401 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000131636231 1416587712 /nfs/dbraw/zinc/58/77/12/1416587712.db2.gz DIJKZRLEXTZZIM-UXHICEINSA-N 1 0 399.535 3.148 20 30 GGEDRO [NH2+]=C(NCC[C@@H]1C(=O)Nc2ccccc21)Nc1ccccc1OC(F)(F)F ZINC000178573495 1429110433 /nfs/dbraw/zinc/11/04/33/1429110433.db2.gz HHEGWISJNCEWGZ-LBPRGKRZSA-N 1 0 378.354 3.438 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCC2(Sc3ccccc3)CC2)cc1OC ZINC000178573772 1429110887 /nfs/dbraw/zinc/11/08/87/1429110887.db2.gz VYFPUJFCPOKGPE-UHFFFAOYSA-N 1 0 385.533 3.476 20 30 GGEDRO N#CCC[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000131897270 1416643995 /nfs/dbraw/zinc/64/39/95/1416643995.db2.gz CLHGBJFUPJGBNE-NRFANRHFSA-N 1 0 377.492 3.390 20 30 GGEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@](C)(O)c2ccc(F)cc2F)c1 ZINC000178589846 1429114955 /nfs/dbraw/zinc/11/49/55/1429114955.db2.gz ADJSGMMUYVLXSH-HXUWFJFHSA-N 1 0 393.434 3.397 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000131977710 1416665396 /nfs/dbraw/zinc/66/53/96/1416665396.db2.gz MWHUQUDGCQVCDX-RTWAWAEBSA-N 1 0 395.503 3.398 20 30 GGEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000132109491 1416698365 /nfs/dbraw/zinc/69/83/65/1416698365.db2.gz YTRPGVVKXVJIOH-KRWDZBQOSA-N 1 0 383.410 3.454 20 30 GGEDRO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178613181 1429122414 /nfs/dbraw/zinc/12/24/14/1429122414.db2.gz XNTSHAGKRSNTKH-WBVHZDCISA-N 1 0 384.524 3.086 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N(CCC#N)CC3CC3)cc2)C1 ZINC000132605386 1416791902 /nfs/dbraw/zinc/79/19/02/1416791902.db2.gz XOVYJVJLIARNLE-QGZVFWFLSA-N 1 0 382.508 3.009 20 30 GGEDRO CN(C)c1ccc(-c2cncc(C(=O)N(CCC#N)CCC[NH+](C)C)c2)cc1 ZINC000132630223 1416796360 /nfs/dbraw/zinc/79/63/60/1416796360.db2.gz BBQFQMNMXLLJEJ-UHFFFAOYSA-N 1 0 379.508 3.122 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000132655937 1416800370 /nfs/dbraw/zinc/80/03/70/1416800370.db2.gz YOVITARBHIAWDA-CQSZACIVSA-N 1 0 379.888 3.324 20 30 GGEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CC1 ZINC000132655562 1416800437 /nfs/dbraw/zinc/80/04/37/1416800437.db2.gz YXLWHIJROZEOBV-UHFFFAOYSA-N 1 0 392.503 3.354 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000132750324 1416811291 /nfs/dbraw/zinc/81/12/91/1416811291.db2.gz UZPLOGUOSPVFQH-AWEZNQCLSA-N 1 0 387.318 3.198 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C2(C(=O)NCC(C)C)CCCC2)c1C ZINC000132875331 1416825972 /nfs/dbraw/zinc/82/59/72/1416825972.db2.gz FGHJGSPTUCWETQ-UHFFFAOYSA-N 1 0 398.551 3.225 20 30 GGEDRO Cc1cccc(S(=O)(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C#N ZINC000132951782 1416835211 /nfs/dbraw/zinc/83/52/11/1416835211.db2.gz PZDXIAJBBLELBB-UHFFFAOYSA-N 1 0 397.544 3.399 20 30 GGEDRO CCCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc(N(C)C)cc1 ZINC000132973532 1416837487 /nfs/dbraw/zinc/83/74/87/1416837487.db2.gz GLCSNRGHMSDOHD-UHFFFAOYSA-O 1 0 386.541 3.296 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000133064909 1416847907 /nfs/dbraw/zinc/84/79/07/1416847907.db2.gz GTMIVVVKDNHZBY-OAQYLSRUSA-N 1 0 392.503 3.040 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1C#N ZINC000133243915 1416869476 /nfs/dbraw/zinc/86/94/76/1416869476.db2.gz ZWZUAYIYVNOIPN-KGLIPLIRSA-N 1 0 391.397 3.194 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)c1C#N ZINC000133249221 1416869905 /nfs/dbraw/zinc/86/99/05/1416869905.db2.gz ACPQPIURUBUVKC-NEPJUHHUSA-N 1 0 392.290 3.482 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)c1C#N ZINC000133264552 1416871987 /nfs/dbraw/zinc/87/19/87/1416871987.db2.gz GNRSHNKHGQPRAF-UHFFFAOYSA-N 1 0 394.866 3.401 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(Cc3ccc(C)cc3)n2)c1C#N ZINC000133361330 1416882415 /nfs/dbraw/zinc/88/24/15/1416882415.db2.gz DDBFQDNXHVWFIO-UHFFFAOYSA-N 1 0 394.504 3.041 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c1C#N ZINC000133368151 1416883073 /nfs/dbraw/zinc/88/30/73/1416883073.db2.gz ZCPHOOKSEBIKEH-ZIAGYGMSSA-N 1 0 391.397 3.194 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccs1 ZINC000133392279 1416885307 /nfs/dbraw/zinc/88/53/07/1416885307.db2.gz PUWSAWMIWYZMKT-KRWDZBQOSA-N 1 0 384.505 3.148 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)c1C#N ZINC000133415026 1416887357 /nfs/dbraw/zinc/88/73/57/1416887357.db2.gz DUEUWHKLDDYILA-CQSZACIVSA-N 1 0 379.386 3.108 20 30 GGEDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000133425577 1416888549 /nfs/dbraw/zinc/88/85/49/1416888549.db2.gz LCPMZXXRHOQIJF-IBGZPJMESA-N 1 0 384.524 3.295 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-c3csc(C)n3)c2)c1C#N ZINC000133439392 1416890015 /nfs/dbraw/zinc/89/00/15/1416890015.db2.gz JMRSCXUHNQSQSI-UHFFFAOYSA-N 1 0 380.477 3.118 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C#N ZINC000133450720 1416890880 /nfs/dbraw/zinc/89/08/80/1416890880.db2.gz CDOCRHTXZFGRDL-UHFFFAOYSA-N 1 0 385.777 3.358 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1C#N ZINC000133464236 1416892465 /nfs/dbraw/zinc/89/24/65/1416892465.db2.gz QNANFXLGFTVDKJ-UHFFFAOYSA-N 1 0 390.491 3.402 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)CC1 ZINC000178669247 1429134384 /nfs/dbraw/zinc/13/43/84/1429134384.db2.gz DWHAHPRSAHSLRM-FQEVSTJZSA-N 1 0 377.504 3.177 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cccc(C(=O)OC)c2)C(=S)NC(C)C)cc1 ZINC000133528378 1416898509 /nfs/dbraw/zinc/89/85/09/1416898509.db2.gz XZSXXXMIPPBMSN-UHFFFAOYSA-O 1 0 385.509 3.260 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccc(Cl)s3)on2)c1C#N ZINC000133543074 1416899951 /nfs/dbraw/zinc/89/99/51/1416899951.db2.gz HROTVWOELPAARW-UHFFFAOYSA-N 1 0 390.856 3.056 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1cccc(C)c1 ZINC000133597812 1416914781 /nfs/dbraw/zinc/91/47/81/1416914781.db2.gz AUCGZWOXIVBTFI-HNNXBMFYSA-O 1 0 385.509 3.396 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21)C(C)C ZINC000133610952 1416919252 /nfs/dbraw/zinc/91/92/52/1416919252.db2.gz PXFDRCSVJCAHIZ-QZTJIDSGSA-N 1 0 388.560 3.234 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2ccc(C)cc2Cl)c1C#N ZINC000133750155 1416955942 /nfs/dbraw/zinc/95/59/42/1416955942.db2.gz VVUCSIWJLUWZQG-UHFFFAOYSA-N 1 0 389.887 3.193 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1C#N ZINC000133795529 1416964679 /nfs/dbraw/zinc/96/46/79/1416964679.db2.gz MMKGQWVRTRFZAM-NEPJUHHUSA-N 1 0 392.290 3.482 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1C#N ZINC000133795319 1416964710 /nfs/dbraw/zinc/96/47/10/1416964710.db2.gz MMKGQWVRTRFZAM-VXGBXAGGSA-N 1 0 392.290 3.482 20 30 GGEDRO C=CCNC(=O)c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000133857908 1416979434 /nfs/dbraw/zinc/97/94/34/1416979434.db2.gz VEQAXWFJQOJBJT-FGZHOGPDSA-N 1 0 390.531 3.488 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C)c1C#N ZINC000133937840 1416998331 /nfs/dbraw/zinc/99/83/31/1416998331.db2.gz YVCFECHAYCWALE-HXUWFJFHSA-N 1 0 397.544 3.399 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C)c1C#N ZINC000133938009 1416998502 /nfs/dbraw/zinc/99/85/02/1416998502.db2.gz YVCFECHAYCWALE-FQEVSTJZSA-N 1 0 397.544 3.399 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000134022067 1417011055 /nfs/dbraw/zinc/01/10/55/1417011055.db2.gz GKVZYDFICWVBJJ-LJQANCHMSA-N 1 0 384.524 3.089 20 30 GGEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000134081997 1417019578 /nfs/dbraw/zinc/01/95/78/1417019578.db2.gz FZAVIQVOSGBPDS-UHFFFAOYSA-N 1 0 377.488 3.496 20 30 GGEDRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000134138664 1417027844 /nfs/dbraw/zinc/02/78/44/1417027844.db2.gz IXZZNTAONWAMEY-QFIPXVFZSA-N 1 0 396.491 3.226 20 30 GGEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000134171657 1417032903 /nfs/dbraw/zinc/03/29/03/1417032903.db2.gz BBYHMXGXUWQARA-XMMPIXPASA-N 1 0 391.515 3.085 20 30 GGEDRO N#Cc1ccc(OCC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000134263460 1417046112 /nfs/dbraw/zinc/04/61/12/1417046112.db2.gz ZRXFJGSLPJYTFI-SFHVURJKSA-N 1 0 399.878 3.077 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc(C2CCCC2)no1 ZINC000134351947 1417059026 /nfs/dbraw/zinc/05/90/26/1417059026.db2.gz HHXXWSKNTQYAMY-UHFFFAOYSA-N 1 0 395.507 3.122 20 30 GGEDRO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000134362178 1417061208 /nfs/dbraw/zinc/06/12/08/1417061208.db2.gz SMTIHBSGMXVAEA-HXUWFJFHSA-N 1 0 383.517 3.127 20 30 GGEDRO CC[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000134520208 1417080829 /nfs/dbraw/zinc/08/08/29/1417080829.db2.gz ZYUYQSFHSBILLO-NRFANRHFSA-N 1 0 377.488 3.085 20 30 GGEDRO C=C[C@@H](CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000134595327 1417094036 /nfs/dbraw/zinc/09/40/36/1417094036.db2.gz GILGVPRIHWMURO-FQEVSTJZSA-N 1 0 397.563 3.187 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000134639700 1417102727 /nfs/dbraw/zinc/10/27/27/1417102727.db2.gz MMKRTUMMXHZFJN-DZGCQCFKSA-N 1 0 392.525 3.326 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000134639723 1417103021 /nfs/dbraw/zinc/10/30/21/1417103021.db2.gz MMKRTUMMXHZFJN-HIFRSBDPSA-N 1 0 392.525 3.326 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000134650796 1417104911 /nfs/dbraw/zinc/10/49/11/1417104911.db2.gz ANDVBSMKMLJANK-CRAIPNDOSA-N 1 0 386.496 3.264 20 30 GGEDRO C=C(C)C[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC1 ZINC000134738294 1417118803 /nfs/dbraw/zinc/11/88/03/1417118803.db2.gz PUYJDFYWVFRRFV-NHCUHLMSSA-N 1 0 377.960 3.342 20 30 GGEDRO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)C2=O)cc1 ZINC000134779601 1417124615 /nfs/dbraw/zinc/12/46/15/1417124615.db2.gz NKDJKMXRFHEIBA-FSSWDIPSSA-N 1 0 393.462 3.391 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134802573 1417128403 /nfs/dbraw/zinc/12/84/03/1417128403.db2.gz CNKLEJUEPIWHDH-AHRSYUTCSA-N 1 0 387.499 3.445 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000134904328 1417142452 /nfs/dbraw/zinc/14/24/52/1417142452.db2.gz MQHNYNMWDBENHD-NFBKMPQASA-N 1 0 394.563 3.499 20 30 GGEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3(C#N)CCCCC3)cc2)CC1 ZINC000134909307 1417142840 /nfs/dbraw/zinc/14/28/40/1417142840.db2.gz NOQIQKGWAVDGKZ-UHFFFAOYSA-N 1 0 383.496 3.315 20 30 GGEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000134917573 1417144882 /nfs/dbraw/zinc/14/48/82/1417144882.db2.gz VIQWZGLOJXBLAZ-UHFFFAOYSA-N 1 0 377.448 3.026 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134929907 1417147343 /nfs/dbraw/zinc/14/73/43/1417147343.db2.gz BAEIUCJEVWWBAG-UTKZUKDTSA-N 1 0 393.535 3.125 20 30 GGEDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)cc1C#N ZINC000135083411 1417170946 /nfs/dbraw/zinc/17/09/46/1417170946.db2.gz SFBDLBGVUFCOCF-MRXNPFEDSA-N 1 0 394.393 3.457 20 30 GGEDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)cc1C#N ZINC000135083391 1417171128 /nfs/dbraw/zinc/17/11/28/1417171128.db2.gz SFBDLBGVUFCOCF-INIZCTEOSA-N 1 0 394.393 3.457 20 30 GGEDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)nc1 ZINC000135118921 1417174168 /nfs/dbraw/zinc/17/41/68/1417174168.db2.gz ZBPFFOJXPCLUQD-UHFFFAOYSA-N 1 0 392.503 3.382 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1C#N ZINC000135174491 1417180974 /nfs/dbraw/zinc/18/09/74/1417180974.db2.gz KKGNZFJHFICQQO-OAHLLOKOSA-N 1 0 384.867 3.466 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000135238202 1417194002 /nfs/dbraw/zinc/19/40/02/1417194002.db2.gz LZCYPKZVJLIIJB-UHFFFAOYSA-N 1 0 399.516 3.166 20 30 GGEDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135276093 1417201292 /nfs/dbraw/zinc/20/12/92/1417201292.db2.gz OIEYETXRMBYUOM-KRWDZBQOSA-N 1 0 397.523 3.286 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000135353911 1417210637 /nfs/dbraw/zinc/21/06/37/1417210637.db2.gz MADNGBYUFFVSGD-KRWDZBQOSA-N 1 0 389.540 3.222 20 30 GGEDRO C=C(C)COCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135778822 1417266990 /nfs/dbraw/zinc/26/69/90/1417266990.db2.gz HVNUPPFXDUMGRQ-CRAIPNDOSA-N 1 0 383.895 3.364 20 30 GGEDRO C=CCNc1ncc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)s1 ZINC000136049062 1417288646 /nfs/dbraw/zinc/28/86/46/1417288646.db2.gz HNSJXZWDOPDWPF-QGZVFWFLSA-N 1 0 386.521 3.317 20 30 GGEDRO C=CCNc1ncc(C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)s1 ZINC000136161231 1417296689 /nfs/dbraw/zinc/29/66/89/1417296689.db2.gz HMZGZTBKCMFJPS-UHFFFAOYSA-N 1 0 385.537 3.131 20 30 GGEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000136239337 1417303938 /nfs/dbraw/zinc/30/39/38/1417303938.db2.gz VYSRDTXWBWVTRF-GOSISDBHSA-N 1 0 378.904 3.215 20 30 GGEDRO CC(C)Oc1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccccc2)cc1 ZINC000136485377 1417320649 /nfs/dbraw/zinc/32/06/49/1417320649.db2.gz ANRURZFSODCLLX-KRWDZBQOSA-O 1 0 399.536 3.326 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC[C@H]1CCOC1)[n+]1cccc(C)c1 ZINC000136489699 1417320692 /nfs/dbraw/zinc/32/06/92/1417320692.db2.gz APJYZJHHMZHNAF-QGZVFWFLSA-O 1 0 399.536 3.164 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136495764 1417321153 /nfs/dbraw/zinc/32/11/53/1417321153.db2.gz XSQFBNATOHHOCU-GOSISDBHSA-O 1 0 383.537 3.464 20 30 GGEDRO O=C(c1ccccc1)C(C(=S)NC[C@H]1CCOC1)[n+]1ccc2c(c1)CCCC2 ZINC000136523428 1417323326 /nfs/dbraw/zinc/32/33/26/1417323326.db2.gz IIPIUYSXIJODLH-QGZVFWFLSA-O 1 0 395.548 3.418 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136531350 1417324075 /nfs/dbraw/zinc/32/40/75/1417324075.db2.gz BQWNADUCKAYBDX-GOSISDBHSA-O 1 0 383.537 3.410 20 30 GGEDRO COc1cccc(C(C)(C)CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)c1 ZINC000136903803 1417353612 /nfs/dbraw/zinc/35/36/12/1417353612.db2.gz CRIUMJUJNJSFDD-UHFFFAOYSA-N 1 0 385.508 3.137 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000137461094 1417387042 /nfs/dbraw/zinc/38/70/42/1417387042.db2.gz UCIKRUUHBCNAFZ-IEBWSBKVSA-N 1 0 381.561 3.031 20 30 GGEDRO CCOc1ccc(NC(=O)CC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000137545290 1417390305 /nfs/dbraw/zinc/39/03/05/1417390305.db2.gz ZUQQCVOMEREJTK-QFIPXVFZSA-N 1 0 392.503 3.296 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000138623765 1417430490 /nfs/dbraw/zinc/43/04/90/1417430490.db2.gz AJJSNMLVQMVJMW-UHFFFAOYSA-N 1 0 397.500 3.133 20 30 GGEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)COc1ccc(C#N)cc1 ZINC000138969788 1417444211 /nfs/dbraw/zinc/44/42/11/1417444211.db2.gz RNTXPHAJXJVBCE-UHFFFAOYSA-N 1 0 381.501 3.433 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000139059591 1417446972 /nfs/dbraw/zinc/44/69/72/1417446972.db2.gz CXLVFVCPPIHYMY-UHFFFAOYSA-N 1 0 390.959 3.208 20 30 GGEDRO CN(C)C(=O)COc1ccccc1C[NH2+]CCSCc1ccccc1C#N ZINC000139314408 1417456101 /nfs/dbraw/zinc/45/61/01/1417456101.db2.gz PYVUGNFWBFGFPY-UHFFFAOYSA-N 1 0 383.517 3.048 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000139851955 1417477445 /nfs/dbraw/zinc/47/74/45/1417477445.db2.gz UZWLMASPQCXTKI-YJBOKZPZSA-N 1 0 386.565 3.243 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140219012 1417492459 /nfs/dbraw/zinc/49/24/59/1417492459.db2.gz WAHCIYRVHPVEQI-AEFFLSMTSA-N 1 0 383.517 3.415 20 30 GGEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000141583716 1417545473 /nfs/dbraw/zinc/54/54/73/1417545473.db2.gz DZBPQQJRWGIWBE-NRFANRHFSA-N 1 0 375.472 3.448 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000142521202 1417590786 /nfs/dbraw/zinc/59/07/86/1417590786.db2.gz FPONBGLDBYRMMK-FQEVSTJZSA-N 1 0 387.524 3.063 20 30 GGEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000144932688 1417676702 /nfs/dbraw/zinc/67/67/02/1417676702.db2.gz RDHZIBFKZXRGKJ-UHFFFAOYSA-N 1 0 384.455 3.095 20 30 GGEDRO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000178864622 1429201710 /nfs/dbraw/zinc/20/17/10/1429201710.db2.gz XZSLJUNXVNPQBQ-UHFFFAOYSA-N 1 0 380.492 3.287 20 30 GGEDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)cc2)cc1OCCCC#N ZINC000147181176 1417740692 /nfs/dbraw/zinc/74/06/92/1417740692.db2.gz GFPMOYDWGLPYSH-UHFFFAOYSA-N 1 0 381.476 3.206 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[NH+](C(C)C)CC2)cc1C ZINC000150168047 1417786161 /nfs/dbraw/zinc/78/61/61/1417786161.db2.gz BOFYRUZBKPEIFV-UHFFFAOYSA-N 1 0 379.508 3.247 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000150742183 1417796468 /nfs/dbraw/zinc/79/64/68/1417796468.db2.gz XNWGEPCPULOWJS-QGZVFWFLSA-N 1 0 381.442 3.334 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750193 1417797799 /nfs/dbraw/zinc/79/77/99/1417797799.db2.gz JONYGUCSIZPEQA-ZWKOTPCHSA-N 1 0 386.565 3.295 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150774140 1417804299 /nfs/dbraw/zinc/80/42/99/1417804299.db2.gz YVFSKGUWQPNPTR-NHCUHLMSSA-N 1 0 382.552 3.356 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150818338 1417813426 /nfs/dbraw/zinc/81/34/26/1417813426.db2.gz WUNRAKRYTHKVJX-LJQANCHMSA-N 1 0 385.508 3.203 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)COc1ccc(C#N)cc1 ZINC000150889404 1417828522 /nfs/dbraw/zinc/82/85/22/1417828522.db2.gz AGFFVANBSBYELJ-QZTJIDSGSA-N 1 0 377.488 3.210 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)COc1ccc(C#N)cc1 ZINC000150889363 1417828627 /nfs/dbraw/zinc/82/86/27/1417828627.db2.gz AGFFVANBSBYELJ-ROUUACIJSA-N 1 0 377.488 3.210 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)cc1F ZINC000150997426 1417851952 /nfs/dbraw/zinc/85/19/52/1417851952.db2.gz OAXNVKDGPXVRAU-LPHOPBHVSA-N 1 0 385.464 3.002 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)cc1F ZINC000150997478 1417852167 /nfs/dbraw/zinc/85/21/67/1417852167.db2.gz OAXNVKDGPXVRAU-APWZRJJASA-N 1 0 385.464 3.002 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000151061435 1417864783 /nfs/dbraw/zinc/86/47/83/1417864783.db2.gz RKUSDEIDITVZLD-VQTJNVASSA-N 1 0 392.503 3.077 20 30 GGEDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000178914621 1429218753 /nfs/dbraw/zinc/21/87/53/1429218753.db2.gz DVSXOPUCVKBCEU-QGZVFWFLSA-N 1 0 380.410 3.175 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000151111990 1417874470 /nfs/dbraw/zinc/87/44/70/1417874470.db2.gz XTVFWBPPGNSSPO-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151112463 1417874630 /nfs/dbraw/zinc/87/46/30/1417874630.db2.gz ANQKIGABKQRZEG-FQEVSTJZSA-N 1 0 391.519 3.156 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1C ZINC000151189206 1417890748 /nfs/dbraw/zinc/89/07/48/1417890748.db2.gz FFBCXMCORDJZHU-IBGZPJMESA-N 1 0 379.508 3.247 20 30 GGEDRO N#Cc1ccc(N2CC[NH+](CCc3cccc(OC(F)(F)F)c3)CC2)nc1 ZINC000178921170 1429220637 /nfs/dbraw/zinc/22/06/37/1429220637.db2.gz DOLPQEPGBJTVKB-UHFFFAOYSA-N 1 0 376.382 3.217 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 ZINC000178904072 1429216389 /nfs/dbraw/zinc/21/63/89/1429216389.db2.gz XUIVSPQGBJEOJN-QGZVFWFLSA-N 1 0 381.524 3.061 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 ZINC000178904085 1429216484 /nfs/dbraw/zinc/21/64/84/1429216484.db2.gz XUIVSPQGBJEOJN-KRWDZBQOSA-N 1 0 381.524 3.061 20 30 GGEDRO CCOc1ccccc1[C@@H](CC)NC(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000151286366 1417915649 /nfs/dbraw/zinc/91/56/49/1417915649.db2.gz PZUZTMNDNGLGJC-LJQANCHMSA-N 1 0 398.507 3.056 20 30 GGEDRO N#CCC[C@@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000151295628 1417918022 /nfs/dbraw/zinc/91/80/22/1417918022.db2.gz AQSMBLNKSKCDMT-HKBOAZHASA-N 1 0 384.524 3.099 20 30 GGEDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151308862 1417922014 /nfs/dbraw/zinc/92/20/14/1417922014.db2.gz DPJWZKGJBGVDLC-OAQYLSRUSA-N 1 0 385.508 3.429 20 30 GGEDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151498180 1418004309 /nfs/dbraw/zinc/00/43/09/1418004309.db2.gz BVFBZWZLUBJJCZ-UHFFFAOYSA-N 1 0 384.524 3.390 20 30 GGEDRO Cc1noc(C)c1[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000151559333 1418024774 /nfs/dbraw/zinc/02/47/74/1418024774.db2.gz POPWVNPUOCQIOM-OAHLLOKOSA-N 1 0 383.496 3.040 20 30 GGEDRO CN(C(=O)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000151807983 1418092014 /nfs/dbraw/zinc/09/20/14/1418092014.db2.gz FAEJMTAHMFHGBK-IBGZPJMESA-N 1 0 382.508 3.265 20 30 GGEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000152023310 1418123035 /nfs/dbraw/zinc/12/30/35/1418123035.db2.gz YRBGHGTWPPUUGY-SFHVURJKSA-N 1 0 382.508 3.001 20 30 GGEDRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000152130247 1418152540 /nfs/dbraw/zinc/15/25/40/1418152540.db2.gz OPUKYKGOUBALCS-FZKQIMNGSA-N 1 0 385.489 3.315 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC ZINC000179056951 1429251672 /nfs/dbraw/zinc/25/16/72/1429251672.db2.gz YBDLBLBXKDAJMA-HXUWFJFHSA-N 1 0 380.488 3.398 20 30 GGEDRO N#CCOc1ccc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000179165176 1429283090 /nfs/dbraw/zinc/28/30/90/1429283090.db2.gz AVPJZQWIZBNFJY-UHFFFAOYSA-N 1 0 384.524 3.387 20 30 GGEDRO CCOC(=O)c1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000179198256 1429292189 /nfs/dbraw/zinc/29/21/89/1429292189.db2.gz TZJQWFAYPWAMHZ-UHFFFAOYSA-N 1 0 394.475 3.331 20 30 GGEDRO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CCC(=O)N(C)CCC#N)OCCO3 ZINC000179189113 1429290456 /nfs/dbraw/zinc/29/04/56/1429290456.db2.gz HFSWLCOAONNNHT-QGZVFWFLSA-N 1 0 397.519 3.408 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000179197736 1429292228 /nfs/dbraw/zinc/29/22/28/1429292228.db2.gz DQMQWASPNCSQFQ-UHFFFAOYSA-N 1 0 378.451 3.462 20 30 GGEDRO CC[NH+]=C(NCCc1ccc(Br)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000179198091 1429291977 /nfs/dbraw/zinc/29/19/77/1429291977.db2.gz LGKLAQPUIDQVHS-GOSISDBHSA-N 1 0 380.330 3.070 20 30 GGEDRO COC(=O)c1c(F)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000179221450 1429298906 /nfs/dbraw/zinc/29/89/06/1429298906.db2.gz GCWPEMWYQHDYMY-UHFFFAOYSA-N 1 0 398.438 3.080 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)cc1C#N ZINC000179234514 1429301206 /nfs/dbraw/zinc/30/12/06/1429301206.db2.gz DJXNYJOEOMRRPI-UHFFFAOYSA-N 1 0 379.460 3.426 20 30 GGEDRO CCOc1cc(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1O ZINC000179435779 1429375155 /nfs/dbraw/zinc/37/51/55/1429375155.db2.gz DRYNSXIOMAJIOU-ZRDIBKRKSA-N 1 0 393.487 3.266 20 30 GGEDRO COc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1OC ZINC000179620683 1429474407 /nfs/dbraw/zinc/47/44/07/1429474407.db2.gz VXMLRMSYCUKDQA-HNNXBMFYSA-N 1 0 388.489 3.008 20 30 GGEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000179625714 1429476457 /nfs/dbraw/zinc/47/64/57/1429476457.db2.gz HNRKGHRYZHWVDC-UZLBHIALSA-N 1 0 389.883 3.184 20 30 GGEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179653459 1429490767 /nfs/dbraw/zinc/49/07/67/1429490767.db2.gz KFRRQUZMBAAKQW-OAHLLOKOSA-N 1 0 379.460 3.075 20 30 GGEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1C1CCCC1 ZINC000179651378 1429489812 /nfs/dbraw/zinc/48/98/12/1429489812.db2.gz RIJQJVDBVIKDDG-UHFFFAOYSA-N 1 0 379.508 3.382 20 30 GGEDRO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000179665385 1429497794 /nfs/dbraw/zinc/49/77/94/1429497794.db2.gz UBQBIGLXGCQYBL-XMSQKQJNSA-N 1 0 394.494 3.194 20 30 GGEDRO CCc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cc1 ZINC000179665304 1429497987 /nfs/dbraw/zinc/49/79/87/1429497987.db2.gz YUMONCZUMILGAU-FXAWDEMLSA-N 1 0 396.560 3.370 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(OCc2ccccn2)c1 ZINC000179686438 1429506798 /nfs/dbraw/zinc/50/67/98/1429506798.db2.gz DMDFXWLLBYDUOF-ZHRRBRCNSA-N 1 0 378.476 3.120 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000179702979 1429514373 /nfs/dbraw/zinc/51/43/73/1429514373.db2.gz JVBOTLDTTNXKRD-FQEVSTJZSA-N 1 0 385.895 3.226 20 30 GGEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H]([NH+](C)C)C2)c1=S ZINC000152312532 1422069683 /nfs/dbraw/zinc/06/96/83/1422069683.db2.gz SQQQQPGNJIEKKY-QGZVFWFLSA-N 1 0 375.517 3.390 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)CC2(O)CCCC2)c1C#N ZINC000152324405 1422072931 /nfs/dbraw/zinc/07/29/31/1422072931.db2.gz SDCQTFQHEKDXHF-UHFFFAOYSA-N 1 0 380.492 3.141 20 30 GGEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000179738236 1429530777 /nfs/dbraw/zinc/53/07/77/1429530777.db2.gz QJMPPTINIVGDCK-HNNXBMFYSA-N 1 0 376.497 3.476 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCO[C@@H](CCC)C2)c1=S ZINC000152521238 1422129639 /nfs/dbraw/zinc/12/96/39/1422129639.db2.gz OHLVITCXIVAGRR-SFHVURJKSA-N 1 0 393.601 3.087 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000179747200 1429535455 /nfs/dbraw/zinc/53/54/55/1429535455.db2.gz SYRHHRNFTUNEJL-JOCHJYFZSA-N 1 0 377.444 3.399 20 30 GGEDRO CC(C)Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1 ZINC000179748815 1429536724 /nfs/dbraw/zinc/53/67/24/1429536724.db2.gz WRGXLLQRGBTLLS-UHFFFAOYSA-N 1 0 392.503 3.205 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000179753555 1429539837 /nfs/dbraw/zinc/53/98/37/1429539837.db2.gz QTNMLZLNMHWUPU-UHFFFAOYSA-N 1 0 379.545 3.180 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179745294 1429534108 /nfs/dbraw/zinc/53/41/08/1429534108.db2.gz HMPOEXHBSLYWSW-LJQANCHMSA-N 1 0 383.473 3.460 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)c(C)n1 ZINC000179754156 1429540209 /nfs/dbraw/zinc/54/02/09/1429540209.db2.gz CIYSWBGSLDQDQS-LJQANCHMSA-N 1 0 378.476 3.094 20 30 GGEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000179754575 1429540246 /nfs/dbraw/zinc/54/02/46/1429540246.db2.gz QFSSAOFLURUEOL-UHFFFAOYSA-N 1 0 392.455 3.278 20 30 GGEDRO C=CCc1cc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)cc(OC)c1O ZINC000152734508 1422230336 /nfs/dbraw/zinc/23/03/36/1422230336.db2.gz IPNGCXGYHHOQIF-MRXNPFEDSA-N 1 0 389.517 3.390 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 ZINC000152744928 1422234372 /nfs/dbraw/zinc/23/43/72/1422234372.db2.gz IJLGOFRWYBUPTO-SFHVURJKSA-N 1 0 389.565 3.418 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000152785528 1422247389 /nfs/dbraw/zinc/24/73/89/1422247389.db2.gz PQPAFLCFCGBZPG-KRWDZBQOSA-N 1 0 375.538 3.223 20 30 GGEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)CN1CCOCC1 ZINC000152802434 1422253736 /nfs/dbraw/zinc/25/37/36/1422253736.db2.gz NZWIORMZCIUHDO-QGZVFWFLSA-N 1 0 394.475 3.440 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(OCc2cc(C#N)ccc2OC)cc1 ZINC000152848750 1422270464 /nfs/dbraw/zinc/27/04/64/1422270464.db2.gz XSFLHVLRILWJLM-UHFFFAOYSA-N 1 0 381.476 3.217 20 30 GGEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000152959805 1422308594 /nfs/dbraw/zinc/30/85/94/1422308594.db2.gz ZLOWVSSGOLMTMW-ROUUACIJSA-N 1 0 383.410 3.189 20 30 GGEDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000153036845 1422335062 /nfs/dbraw/zinc/33/50/62/1422335062.db2.gz LZAGRSGUXBLVOR-LSDHHAIUSA-N 1 0 375.538 3.453 20 30 GGEDRO N#Cc1ccc([C@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000153052305 1422340407 /nfs/dbraw/zinc/34/04/07/1422340407.db2.gz SRPKBSSRODOATP-LJQANCHMSA-N 1 0 375.394 3.433 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1Cl ZINC000153079954 1422349601 /nfs/dbraw/zinc/34/96/01/1422349601.db2.gz LLCSRLHDHVMBRM-APWZRJJASA-N 1 0 375.900 3.396 20 30 GGEDRO CCOc1ccc(-c2nc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)cs2)cc1 ZINC000153289762 1422443741 /nfs/dbraw/zinc/44/37/41/1422443741.db2.gz DMDVJCAQWBOJMP-UHFFFAOYSA-N 1 0 396.520 3.450 20 30 GGEDRO CC(C)c1ccc(-c2noc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)n2)cc1 ZINC000153302507 1422452775 /nfs/dbraw/zinc/45/27/75/1422452775.db2.gz POBVKIMNDGOCMQ-UHFFFAOYSA-N 1 0 379.468 3.102 20 30 GGEDRO COC(=O)c1sccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000153386131 1422508532 /nfs/dbraw/zinc/50/85/32/1422508532.db2.gz VLSYJUUDQKBHGD-UHFFFAOYSA-N 1 0 386.477 3.002 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000153422936 1422527508 /nfs/dbraw/zinc/52/75/08/1422527508.db2.gz VOIIWHACELHHBN-QZTJIDSGSA-N 1 0 394.560 3.162 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000153422804 1422527588 /nfs/dbraw/zinc/52/75/88/1422527588.db2.gz VOIIWHACELHHBN-ROUUACIJSA-N 1 0 394.560 3.162 20 30 GGEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000153482971 1422562047 /nfs/dbraw/zinc/56/20/47/1422562047.db2.gz DPRXTBVGSPNGRA-HXUWFJFHSA-N 1 0 387.867 3.046 20 30 GGEDRO CC[NH+]=C(NCCc1cn2c(n1)CCCC2)N1CCSC2(CCCCC2)C1 ZINC000153565121 1422620186 /nfs/dbraw/zinc/62/01/86/1422620186.db2.gz YHQVCYJVINJMIO-UHFFFAOYSA-N 1 0 389.613 3.479 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[NH+](CC3CC3)CC2)c1=S ZINC000153598314 1422639239 /nfs/dbraw/zinc/63/92/39/1422639239.db2.gz MRTLLGGJKJCYQI-UHFFFAOYSA-N 1 0 384.553 3.037 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153679950 1422699854 /nfs/dbraw/zinc/69/98/54/1422699854.db2.gz GBGPWRZKAXRZTB-ICSRJNTNSA-N 1 0 397.519 3.201 20 30 GGEDRO C[NH+]=C(NCc1cc(Cl)ccc1OC(F)F)N[C@H]1CCCn2nc(C)nc21 ZINC000153709133 1422713296 /nfs/dbraw/zinc/71/32/96/1422713296.db2.gz ZAFZMGDKCCBKOG-ZDUSSCGKSA-N 1 0 398.845 3.041 20 30 GGEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153902654 1422807988 /nfs/dbraw/zinc/80/79/88/1422807988.db2.gz UJPAWJLYJSOOMD-UHFFFAOYSA-N 1 0 393.409 3.423 20 30 GGEDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000153962705 1422817632 /nfs/dbraw/zinc/81/76/32/1422817632.db2.gz OQROCLYNBPUDLD-LJQANCHMSA-N 1 0 381.480 3.174 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC[C@@H]21 ZINC000153969428 1422819055 /nfs/dbraw/zinc/81/90/55/1422819055.db2.gz JQPWLWWIFGENHG-HKUYNNGSSA-N 1 0 379.460 3.287 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000154006185 1422824263 /nfs/dbraw/zinc/82/42/63/1422824263.db2.gz JVUMVLGXEVDNSZ-NQIIRXRSSA-N 1 0 377.488 3.301 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000154040314 1422830340 /nfs/dbraw/zinc/83/03/40/1422830340.db2.gz BUNOKXKJCIAVNA-QFIPXVFZSA-N 1 0 390.531 3.360 20 30 GGEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000154098108 1422840118 /nfs/dbraw/zinc/84/01/18/1422840118.db2.gz UYLORPKABMAEMO-LJQANCHMSA-N 1 0 384.524 3.294 20 30 GGEDRO C=CCc1ccc(OCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000154113016 1422842230 /nfs/dbraw/zinc/84/22/30/1422842230.db2.gz XRKVGPGGXXJYTB-ICSRJNTNSA-N 1 0 384.520 3.278 20 30 GGEDRO COCCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154447130 1422889756 /nfs/dbraw/zinc/88/97/56/1422889756.db2.gz RCSTVNWREQEHHT-NRFANRHFSA-N 1 0 377.488 3.450 20 30 GGEDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000154454538 1422890877 /nfs/dbraw/zinc/89/08/77/1422890877.db2.gz WAMUSVWRCFCFGE-LJQANCHMSA-N 1 0 379.460 3.273 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)CC(C)C ZINC000154466936 1422892069 /nfs/dbraw/zinc/89/20/69/1422892069.db2.gz PWDVQZZIPSSJBV-HNNXBMFYSA-N 1 0 378.904 3.023 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1cccc(CO)c1 ZINC000154471333 1422893290 /nfs/dbraw/zinc/89/32/90/1422893290.db2.gz LNBCXZIETNWVLD-HNNXBMFYSA-O 1 0 387.525 3.110 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccccc1 ZINC000154487820 1422895612 /nfs/dbraw/zinc/89/56/12/1422895612.db2.gz YPUVZVAIHZTMIY-CQSZACIVSA-O 1 0 382.509 3.186 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)N[C@H](C)CC)[n+]2cccc(CO)c2)cc1 ZINC000154493218 1422896605 /nfs/dbraw/zinc/89/66/05/1422896605.db2.gz QAQMUUYGWTWBPB-OAHLLOKOSA-O 1 0 387.525 3.192 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(N(C)C)cc1 ZINC000154495841 1422896812 /nfs/dbraw/zinc/89/68/12/1422896812.db2.gz CEIYRLMMBJVSPS-OAHLLOKOSA-O 1 0 386.541 3.376 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000154513160 1422898828 /nfs/dbraw/zinc/89/88/28/1422898828.db2.gz CZXNYZPEBSVEFV-OAHLLOKOSA-O 1 0 386.541 3.376 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000154535472 1422908889 /nfs/dbraw/zinc/90/88/89/1422908889.db2.gz MVZDPCCAPCAGSQ-GASCZTMLSA-N 1 0 390.915 3.024 20 30 GGEDRO Fc1cc(F)c2c(c1)CN(C(NCCc1ccco1)=[NH+]C[C@H]1CCOC1)CC2 ZINC000154583604 1422944236 /nfs/dbraw/zinc/94/42/36/1422944236.db2.gz WSDYRPJWXLPMMO-OAHLLOKOSA-N 1 0 389.446 3.141 20 30 GGEDRO C[NH+](C)Cc1ccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)cc1F ZINC000154634951 1422974485 /nfs/dbraw/zinc/97/44/85/1422974485.db2.gz IJQQQPADBQUUPH-UHFFFAOYSA-N 1 0 396.466 3.184 20 30 GGEDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000154939474 1423085731 /nfs/dbraw/zinc/08/57/31/1423085731.db2.gz PGXFTTOBWDCWMK-UHFFFAOYSA-N 1 0 390.915 3.121 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)c1C#N ZINC000179863179 1429614879 /nfs/dbraw/zinc/61/48/79/1429614879.db2.gz AYFJABXBTAOVKQ-INIZCTEOSA-N 1 0 380.492 3.309 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000155106572 1423166705 /nfs/dbraw/zinc/16/67/05/1423166705.db2.gz GDISFCXJZMFTCW-PXNSSMCTSA-N 1 0 379.460 3.287 20 30 GGEDRO COc1cc(N[C@@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000155123087 1423181645 /nfs/dbraw/zinc/18/16/45/1423181645.db2.gz QJHHABNSQFQRDS-GCJKJVERSA-N 1 0 381.476 3.185 20 30 GGEDRO N#Cc1ccc(OCC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000155441977 1423365351 /nfs/dbraw/zinc/36/53/51/1423365351.db2.gz VDAQPOYTVUOMCG-UHFFFAOYSA-N 1 0 379.460 3.440 20 30 GGEDRO CN1CCC([N@H+](CCO)Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000155494531 1423386385 /nfs/dbraw/zinc/38/63/85/1423386385.db2.gz YGMUDPXEWMKICQ-UHFFFAOYSA-N 1 0 379.504 3.026 20 30 GGEDRO CCCCCNC(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179932202 1429648703 /nfs/dbraw/zinc/64/87/03/1429648703.db2.gz ZXLLSDXQFFJTMY-UHFFFAOYSA-N 1 0 393.535 3.477 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)CC[C@@H]21 ZINC000155774654 1423528826 /nfs/dbraw/zinc/52/88/26/1423528826.db2.gz DEICKYMOZZTESN-XLIONFOSSA-N 1 0 379.460 3.287 20 30 GGEDRO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179937499 1429651643 /nfs/dbraw/zinc/65/16/43/1429651643.db2.gz MHRVWYNDQGQURX-UHFFFAOYSA-N 1 0 399.498 3.307 20 30 GGEDRO N#Cc1cccc(NCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000155823193 1423549287 /nfs/dbraw/zinc/54/92/87/1423549287.db2.gz VOPUPSZTNBAKET-UHFFFAOYSA-N 1 0 380.517 3.200 20 30 GGEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000155893057 1423581063 /nfs/dbraw/zinc/58/10/63/1423581063.db2.gz CDKLZYFKLYOZFE-HNNXBMFYSA-N 1 0 378.423 3.499 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)CC2CCOCC2)c1C#N ZINC000155907811 1423590347 /nfs/dbraw/zinc/59/03/47/1423590347.db2.gz ULXNKTQWQKWRTB-UHFFFAOYSA-N 1 0 398.482 3.402 20 30 GGEDRO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1Cl ZINC000155922870 1423596035 /nfs/dbraw/zinc/59/60/35/1423596035.db2.gz MAMYQMYHOOLGAJ-FQEVSTJZSA-N 1 0 383.879 3.423 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000155964139 1423612398 /nfs/dbraw/zinc/61/23/98/1423612398.db2.gz SLJKSYVFWWPTLJ-YADHBBJMSA-N 1 0 398.551 3.246 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000156007695 1423631431 /nfs/dbraw/zinc/63/14/31/1423631431.db2.gz FUOFFGGZMDCZLM-VXKWHMMOSA-N 1 0 398.551 3.248 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000156022271 1423637709 /nfs/dbraw/zinc/63/77/09/1423637709.db2.gz QWQHUWPIDXRKQW-UTKZUKDTSA-N 1 0 397.519 3.055 20 30 GGEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000156022805 1423638537 /nfs/dbraw/zinc/63/85/37/1423638537.db2.gz WFOJAAFVEKVKHS-UHFFFAOYSA-N 1 0 389.908 3.155 20 30 GGEDRO C[NH+](C)Cc1cccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000156062874 1423657300 /nfs/dbraw/zinc/65/73/00/1423657300.db2.gz WKIBWQOFSNYYFI-UHFFFAOYSA-N 1 0 399.498 3.130 20 30 GGEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000156106364 1423675557 /nfs/dbraw/zinc/67/55/57/1423675557.db2.gz QSCIFTNGYJMJOI-HXUWFJFHSA-N 1 0 387.867 3.046 20 30 GGEDRO C[NH+]=C(NC[C@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156146792 1423694103 /nfs/dbraw/zinc/69/41/03/1423694103.db2.gz JQJKEVXBLMDNQD-UDIDDNNKSA-N 1 0 397.563 3.198 20 30 GGEDRO C[C@@H](CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@H+](C)Cc1ccccc1 ZINC000156169381 1423703830 /nfs/dbraw/zinc/70/38/30/1423703830.db2.gz SIJPPUOGDNBSAL-HNNXBMFYSA-N 1 0 398.894 3.177 20 30 GGEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000179964949 1429665733 /nfs/dbraw/zinc/66/57/33/1429665733.db2.gz ZOFPITNQDTXZCA-YWZLYKJASA-N 1 0 379.460 3.422 20 30 GGEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000179964932 1429666141 /nfs/dbraw/zinc/66/61/41/1429666141.db2.gz ZOFPITNQDTXZCA-FOIQADDNSA-N 1 0 379.460 3.422 20 30 GGEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000179969897 1429667560 /nfs/dbraw/zinc/66/75/60/1429667560.db2.gz SMXAQWXAHKRGLK-YCRPNKLZSA-N 1 0 376.460 3.363 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000156256366 1423745680 /nfs/dbraw/zinc/74/56/80/1423745680.db2.gz NHJIQIGVMFPEMD-VXKWHMMOSA-N 1 0 396.535 3.024 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000179973728 1429670136 /nfs/dbraw/zinc/67/01/36/1429670136.db2.gz FZDFCLSVONXQNO-QVKFZJNVSA-N 1 0 388.471 3.289 20 30 GGEDRO C=CCC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000156329977 1423782409 /nfs/dbraw/zinc/78/24/09/1423782409.db2.gz JQWLNGXBDPBHHG-OAQYLSRUSA-N 1 0 393.535 3.340 20 30 GGEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000156383042 1423802797 /nfs/dbraw/zinc/80/27/97/1423802797.db2.gz CHNKYMDNBCSSSJ-OAHLLOKOSA-N 1 0 377.945 3.357 20 30 GGEDRO C[NH+]=C(NCCc1cc(Cl)ccc1Br)N(C)Cc1cnn(C)c1 ZINC000156444424 1423811293 /nfs/dbraw/zinc/81/12/93/1423811293.db2.gz QSWSSIDOBYFPAH-UHFFFAOYSA-N 1 0 398.736 3.086 20 30 GGEDRO C#CCOc1ccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000156506431 1423820190 /nfs/dbraw/zinc/82/01/90/1423820190.db2.gz DLSWPOVPWOXZIU-UHFFFAOYSA-N 1 0 377.488 3.008 20 30 GGEDRO C[C@H](C#N)Oc1ccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000156506689 1423820213 /nfs/dbraw/zinc/82/02/13/1423820213.db2.gz XTFQJINDWGYQPX-QGZVFWFLSA-N 1 0 392.503 3.287 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000156560698 1423828650 /nfs/dbraw/zinc/82/86/50/1423828650.db2.gz XXPDNZYSDSBXDO-TZIWHRDSSA-N 1 0 379.508 3.330 20 30 GGEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000156640044 1423839414 /nfs/dbraw/zinc/83/94/14/1423839414.db2.gz OHBPPAYIRITJRN-UHFFFAOYSA-N 1 0 395.478 3.243 20 30 GGEDRO CC(C)[C@@H](CC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000156653482 1423841822 /nfs/dbraw/zinc/84/18/22/1423841822.db2.gz HPASJDSRBPVADK-MOPGFXCFSA-N 1 0 375.513 3.463 20 30 GGEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000179990378 1429678577 /nfs/dbraw/zinc/67/85/77/1429678577.db2.gz HQVWKRGMTXOHGR-SVMVAKDDSA-N 1 0 393.535 3.032 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000156854129 1423875205 /nfs/dbraw/zinc/87/52/05/1423875205.db2.gz BVMBWZVUGPZHPT-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO Cc1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1C#N ZINC000156928716 1423887809 /nfs/dbraw/zinc/88/78/09/1423887809.db2.gz JMMRDJYEZPEFRQ-INIZCTEOSA-N 1 0 389.546 3.119 20 30 GGEDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000157062124 1423914335 /nfs/dbraw/zinc/91/43/35/1423914335.db2.gz QOPKYDHEPJJRFB-XMSQKQJNSA-N 1 0 376.504 3.482 20 30 GGEDRO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC1CCN(c2ccccn2)CC1 ZINC000157074974 1423917998 /nfs/dbraw/zinc/91/79/98/1423917998.db2.gz DBYOPLGBNCOKQL-UHFFFAOYSA-N 1 0 395.507 3.340 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000180001534 1429683301 /nfs/dbraw/zinc/68/33/01/1429683301.db2.gz MLGYQIRSYVBKRH-UHFFFAOYSA-N 1 0 378.398 3.330 20 30 GGEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157287243 1423974895 /nfs/dbraw/zinc/97/48/95/1423974895.db2.gz SGTWQIHBMGOFOH-OALUTQOASA-N 1 0 389.503 3.174 20 30 GGEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157287421 1423974919 /nfs/dbraw/zinc/97/49/19/1423974919.db2.gz SGTWQIHBMGOFOH-RBUKOAKNSA-N 1 0 389.503 3.174 20 30 GGEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCC(=O)Nc3sccc3C#N)ccc2NC1=O ZINC000180010130 1429688650 /nfs/dbraw/zinc/68/86/50/1429688650.db2.gz BWAJLDSXXRXDHD-BLLLJJGKSA-N 1 0 398.488 3.409 20 30 GGEDRO COc1cc(C#N)ccc1OCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000157390229 1424000102 /nfs/dbraw/zinc/00/01/02/1424000102.db2.gz JBYHJJDPJQCMEF-UHFFFAOYSA-N 1 0 390.487 3.025 20 30 GGEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)N(C)C3(C#N)CCCCC3)ccc2NC1=O ZINC000180015015 1429692561 /nfs/dbraw/zinc/69/25/61/1429692561.db2.gz ZKYCKXYRRFFPPI-MAUKXSAKSA-N 1 0 398.507 3.132 20 30 GGEDRO Cc1cccc(S(=O)(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000157546031 1424034462 /nfs/dbraw/zinc/03/44/62/1424034462.db2.gz XKILKDUVMQEDHO-UHFFFAOYSA-N 1 0 383.517 3.152 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000157560797 1424038071 /nfs/dbraw/zinc/03/80/71/1424038071.db2.gz VQFITTGERBCISJ-CVEARBPZSA-N 1 0 395.956 3.487 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000157605254 1424047514 /nfs/dbraw/zinc/04/75/14/1424047514.db2.gz VLGLJSUISSEDTI-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)[nH]1 ZINC000157646707 1424057011 /nfs/dbraw/zinc/05/70/11/1424057011.db2.gz DXTOQTKHFXENCA-UHFFFAOYSA-N 1 0 399.498 3.139 20 30 GGEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCC(=O)Nc3ccc(C#N)cc3)ccc2NC1=O ZINC000180017302 1429694602 /nfs/dbraw/zinc/69/46/02/1429694602.db2.gz CGVIDCCFYLAHFH-AUUYWEPGSA-N 1 0 392.459 3.347 20 30 GGEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000157739289 1424077933 /nfs/dbraw/zinc/07/79/33/1424077933.db2.gz VVQDTHVZWHIIJT-HNNXBMFYSA-N 1 0 384.867 3.466 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3sccc3C#N)ccc2NC1=O ZINC000180021464 1429697127 /nfs/dbraw/zinc/69/71/27/1429697127.db2.gz MSLCAGVGURJVII-ABAIWWIYSA-N 1 0 384.461 3.019 20 30 GGEDRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1C#N ZINC000157785403 1424087885 /nfs/dbraw/zinc/08/78/85/1424087885.db2.gz BJHYURRFVKQRRB-UHFFFAOYSA-N 1 0 381.480 3.336 20 30 GGEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180020611 1429697388 /nfs/dbraw/zinc/69/73/88/1429697388.db2.gz OSGIQZXEESXBGW-FXAWDEMLSA-N 1 0 393.535 3.476 20 30 GGEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180020639 1429697597 /nfs/dbraw/zinc/69/75/97/1429697597.db2.gz OSGIQZXEESXBGW-PXNSSMCTSA-N 1 0 393.535 3.476 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000157835899 1424099174 /nfs/dbraw/zinc/09/91/74/1424099174.db2.gz PERWJDLTNAGNJS-XLIONFOSSA-N 1 0 383.517 3.232 20 30 GGEDRO C[NH+]=C(NCCOc1ccccc1-c1ccccc1)N1CC[C@]2(CCOC2)C1 ZINC000157975488 1424132292 /nfs/dbraw/zinc/13/22/92/1424132292.db2.gz VBXPFBUHVPWVOD-QHCPKHFHSA-N 1 0 379.504 3.420 20 30 GGEDRO COc1cccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N(C)C)c1 ZINC000180026879 1429701575 /nfs/dbraw/zinc/70/15/75/1429701575.db2.gz OGQBPDTUGHNPGC-JOCHJYFZSA-N 1 0 389.503 3.360 20 30 GGEDRO Cc1cc(C(O)=CONC(=[NH2+])c2ccc3c(c2)CCO3)c(C)n1-c1nccs1 ZINC000158179526 1424187790 /nfs/dbraw/zinc/18/77/90/1424187790.db2.gz WYXJSFFOQUVNLU-UHFFFAOYSA-N 1 0 396.472 3.005 20 30 GGEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000180041722 1429710096 /nfs/dbraw/zinc/71/00/96/1429710096.db2.gz GXDSKFVPOBRRHJ-NRFANRHFSA-N 1 0 383.536 3.145 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(NC(=O)C4CC4)nc3)CC2)cc1 ZINC000180044818 1429711501 /nfs/dbraw/zinc/71/15/01/1429711501.db2.gz HBBRVHUWGLIEKS-UHFFFAOYSA-N 1 0 375.476 3.378 20 30 GGEDRO Cn1cc(C[NH2+]Cc2cccc(Cn3ccnc3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180048624 1429712991 /nfs/dbraw/zinc/71/29/91/1429712991.db2.gz KDFVPFIUVQVCLB-UHFFFAOYSA-N 1 0 382.471 3.493 20 30 GGEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000180053779 1429716008 /nfs/dbraw/zinc/71/60/08/1429716008.db2.gz DCTIKDABAXKQLK-UHFFFAOYSA-N 1 0 397.422 3.117 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000158910513 1424369956 /nfs/dbraw/zinc/36/99/56/1424369956.db2.gz NMMTYHNFCBIKBK-YLJYHZDGSA-N 1 0 388.943 3.311 20 30 GGEDRO CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000158921750 1424372788 /nfs/dbraw/zinc/37/27/88/1424372788.db2.gz AZCZYTYEIUBLBW-YADHBBJMSA-N 1 0 397.567 3.037 20 30 GGEDRO CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000158921893 1424373042 /nfs/dbraw/zinc/37/30/42/1424373042.db2.gz AZCZYTYEIUBLBW-VXKWHMMOSA-N 1 0 397.567 3.037 20 30 GGEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000158936595 1424376380 /nfs/dbraw/zinc/37/63/80/1424376380.db2.gz RGDVDTINEZLEOL-UHFFFAOYSA-N 1 0 397.491 3.113 20 30 GGEDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000180066461 1429721813 /nfs/dbraw/zinc/72/18/13/1429721813.db2.gz UFYSQRIMXCMHRL-NRFANRHFSA-N 1 0 377.467 3.490 20 30 GGEDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000180066480 1429721960 /nfs/dbraw/zinc/72/19/60/1429721960.db2.gz UFYSQRIMXCMHRL-OAQYLSRUSA-N 1 0 377.467 3.490 20 30 GGEDRO N#Cc1ccc(F)cc1CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000159063114 1424408073 /nfs/dbraw/zinc/40/80/73/1424408073.db2.gz JBCDYAVLRGDNQD-IBGZPJMESA-N 1 0 393.510 3.127 20 30 GGEDRO N#CC1(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000159119390 1424421823 /nfs/dbraw/zinc/42/18/23/1424421823.db2.gz VGKJYJZHFCLVMG-YADHBBJMSA-N 1 0 394.563 3.316 20 30 GGEDRO C=CCNC(=O)[C@@H](C)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159351713 1424492943 /nfs/dbraw/zinc/49/29/43/1424492943.db2.gz CRKRSEDXGLPREX-OAHLLOKOSA-N 1 0 383.458 3.292 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000159492731 1424506885 /nfs/dbraw/zinc/50/68/85/1424506885.db2.gz IDOMIYBFKJVHTF-JXFKEZNVSA-N 1 0 398.482 3.136 20 30 GGEDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000159687924 1424524302 /nfs/dbraw/zinc/52/43/02/1424524302.db2.gz ZCGNPJBDVBBKQB-UHFFFAOYSA-N 1 0 391.519 3.011 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCC[C@@H]1O ZINC000159847325 1424543239 /nfs/dbraw/zinc/54/32/39/1424543239.db2.gz LZFXDNMXSHVKFJ-PBHICJAKSA-N 1 0 375.538 3.310 20 30 GGEDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000159876895 1424547908 /nfs/dbraw/zinc/54/79/08/1424547908.db2.gz JONUXRFTQIPFAA-HZPDHXFCSA-N 1 0 389.459 3.024 20 30 GGEDRO C[NH+]=C(NCCNc1nc2ccccc2s1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000159980780 1424558709 /nfs/dbraw/zinc/55/87/09/1424558709.db2.gz JWZPFVSIEXLXQY-DOTOQJQBSA-N 1 0 397.552 3.063 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000159984340 1424560018 /nfs/dbraw/zinc/56/00/18/1424560018.db2.gz TXTOKSSJHYOBQR-RXVVDRJESA-N 1 0 399.491 3.144 20 30 GGEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000160041010 1424565148 /nfs/dbraw/zinc/56/51/48/1424565148.db2.gz XOBKJLRLUDUSAU-AVRDEDQJSA-N 1 0 385.556 3.063 20 30 GGEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000160076670 1424570698 /nfs/dbraw/zinc/57/06/98/1424570698.db2.gz APHXUTIWZSQAFH-SFHVURJKSA-N 1 0 391.519 3.058 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000180096516 1429735963 /nfs/dbraw/zinc/73/59/63/1429735963.db2.gz LWRLXUGRVWBNAW-MRXNPFEDSA-N 1 0 382.464 3.240 20 30 GGEDRO Cn1cc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180096097 1429736045 /nfs/dbraw/zinc/73/60/45/1429736045.db2.gz RKHFKPALRXFGDN-UHFFFAOYSA-N 1 0 399.498 3.371 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(CC(F)(F)F)CC3)C2)c(F)c1 ZINC000160135242 1424577654 /nfs/dbraw/zinc/57/76/54/1424577654.db2.gz AFJNAXPEXGJHSJ-INIZCTEOSA-N 1 0 384.421 3.282 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(Cc4ccncc4)CC3)C2)c(F)c1 ZINC000160136420 1424577754 /nfs/dbraw/zinc/57/77/54/1424577754.db2.gz PPABOIOVLLZQQG-NRFANRHFSA-N 1 0 393.510 3.315 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(Cc4ccncc4)CC3)C2)c(F)c1 ZINC000160136548 1424578068 /nfs/dbraw/zinc/57/80/68/1424578068.db2.gz PPABOIOVLLZQQG-OAQYLSRUSA-N 1 0 393.510 3.315 20 30 GGEDRO [NH2+]=C(NCCOc1ncccc1C(F)(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000160534536 1424611074 /nfs/dbraw/zinc/61/10/74/1424611074.db2.gz JNJDWNLKZVRJJB-UHFFFAOYSA-N 1 0 396.369 3.067 20 30 GGEDRO C[C@@H]1CN(C(C)(C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C[C@@H](C)O1 ZINC000160630425 1424621029 /nfs/dbraw/zinc/62/10/29/1424621029.db2.gz CPRFWZTZCKQBOB-CHWSQXEVSA-N 1 0 388.434 3.200 20 30 GGEDRO CCNC(=O)c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000160651605 1424623037 /nfs/dbraw/zinc/62/30/37/1424623037.db2.gz RKGWRSOEIFAHFX-UHFFFAOYSA-N 1 0 380.370 3.262 20 30 GGEDRO Cn1cc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)n1 ZINC000160799899 1424635382 /nfs/dbraw/zinc/63/53/82/1424635382.db2.gz WSNIVTAGQGVEIS-UHFFFAOYSA-N 1 0 381.280 3.264 20 30 GGEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000160913186 1424644060 /nfs/dbraw/zinc/64/40/60/1424644060.db2.gz ALVJCZXMHGRRSV-HDICACEKSA-N 1 0 399.535 3.063 20 30 GGEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000160947459 1424647038 /nfs/dbraw/zinc/64/70/38/1424647038.db2.gz GWMYHWGSKBNSGY-UHFFFAOYSA-N 1 0 379.501 3.019 20 30 GGEDRO CCC[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1CCOC ZINC000161151518 1424662695 /nfs/dbraw/zinc/66/26/95/1424662695.db2.gz UPHZQLQFHYUJLJ-OAHLLOKOSA-N 1 0 396.438 3.124 20 30 GGEDRO C=CCOc1ccc(-c2nn(CN3CC[C@@H]([NH+]4CC=CC4)C3)c(=S)o2)cc1 ZINC000161338161 1424678146 /nfs/dbraw/zinc/67/81/46/1424678146.db2.gz KUMFDKSTGQUXMX-QGZVFWFLSA-N 1 0 384.505 3.341 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000161429036 1424688778 /nfs/dbraw/zinc/68/87/78/1424688778.db2.gz YJSCCMAFGBIOOF-PZJWPPBQSA-N 1 0 396.462 3.226 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)ccc1Cl ZINC000161450501 1424690186 /nfs/dbraw/zinc/69/01/86/1424690186.db2.gz UEKMXQJPYCGCIQ-MRXNPFEDSA-N 1 0 375.900 3.396 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)ccc1Cl ZINC000161450378 1424690640 /nfs/dbraw/zinc/69/06/40/1424690640.db2.gz UEKMXQJPYCGCIQ-INIZCTEOSA-N 1 0 375.900 3.396 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)C(=O)CNc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000161486623 1424694494 /nfs/dbraw/zinc/69/44/94/1424694494.db2.gz ZJGNDNBDMJJGPO-GCJKJVERSA-N 1 0 376.504 3.482 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000161526167 1424700586 /nfs/dbraw/zinc/70/05/86/1424700586.db2.gz ANINMUOAVBNPRB-IRXDYDNUSA-N 1 0 386.517 3.361 20 30 GGEDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161656093 1424733926 /nfs/dbraw/zinc/73/39/26/1424733926.db2.gz IENRXPSYIGDFEP-HNNXBMFYSA-N 1 0 381.455 3.068 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H]([NH+](CC)CC)C2)c1=S ZINC000161659790 1424734020 /nfs/dbraw/zinc/73/40/20/1424734020.db2.gz BSHKBYWEMBFWFZ-GOSISDBHSA-N 1 0 386.569 3.426 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000161665072 1424735398 /nfs/dbraw/zinc/73/53/98/1424735398.db2.gz UKXNRRSGMVUZIA-MRXNPFEDSA-N 1 0 391.475 3.229 20 30 GGEDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161665904 1424735745 /nfs/dbraw/zinc/73/57/45/1424735745.db2.gz LNWBSWURMHKKJJ-OAQYLSRUSA-N 1 0 382.483 3.299 20 30 GGEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CN1Cc1ccccc1 ZINC000161671643 1424737063 /nfs/dbraw/zinc/73/70/63/1424737063.db2.gz ADOOAUQFEVFXCV-PGRDOPGGSA-N 1 0 375.520 3.175 20 30 GGEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)OCCO2 ZINC000161685322 1424740615 /nfs/dbraw/zinc/74/06/15/1424740615.db2.gz DWXCIRPCUMURBQ-IBGZPJMESA-N 1 0 378.476 3.434 20 30 GGEDRO COc1ccc(C[C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000161712440 1424748528 /nfs/dbraw/zinc/74/85/28/1424748528.db2.gz OMEYNEBEPJAJRK-MRXNPFEDSA-N 1 0 380.492 3.160 20 30 GGEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000161881688 1424787199 /nfs/dbraw/zinc/78/71/99/1424787199.db2.gz QASQNVPDVDRQDF-MRXNPFEDSA-N 1 0 382.489 3.430 20 30 GGEDRO CC[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000162256513 1424831958 /nfs/dbraw/zinc/83/19/58/1424831958.db2.gz XJNFQHRODRPLER-GDLCADMTSA-N 1 0 388.459 3.175 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)CC1 ZINC000162296896 1424835626 /nfs/dbraw/zinc/83/56/26/1424835626.db2.gz SJPMOTJZVPWUQO-OAQYLSRUSA-N 1 0 382.529 3.156 20 30 GGEDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162339655 1424839481 /nfs/dbraw/zinc/83/94/81/1424839481.db2.gz PONWKNTUTALUHN-CABCVRRESA-N 1 0 375.538 3.453 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C(C)(C)O)c1C#N ZINC000162631364 1424873752 /nfs/dbraw/zinc/87/37/52/1424873752.db2.gz CLLBBMNNHCNBIQ-IBGZPJMESA-N 1 0 398.482 3.279 20 30 GGEDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000162782356 1424890226 /nfs/dbraw/zinc/89/02/26/1424890226.db2.gz XTTBNAFMAZJDAU-MRXNPFEDSA-N 1 0 390.553 3.066 20 30 GGEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)[C@H]2CCOC2)c1C#N ZINC000162924063 1424906180 /nfs/dbraw/zinc/90/61/80/1424906180.db2.gz VNTFHQIXSGYZQP-QAPCUYQASA-N 1 0 398.482 3.117 20 30 GGEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000163191021 1424955939 /nfs/dbraw/zinc/95/59/39/1424955939.db2.gz PCEAFHWGVBJLRP-UHFFFAOYSA-N 1 0 376.476 3.300 20 30 GGEDRO C#CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000163853955 1425051142 /nfs/dbraw/zinc/05/11/42/1425051142.db2.gz CBHLSSSKLPLGIB-UHFFFAOYSA-N 1 0 378.472 3.155 20 30 GGEDRO C=CCc1cc(OC)cc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1O ZINC000163978862 1425064332 /nfs/dbraw/zinc/06/43/32/1425064332.db2.gz MHGGUFIPVXPXJW-UHFFFAOYSA-N 1 0 396.516 3.456 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000164073810 1425074290 /nfs/dbraw/zinc/07/42/90/1425074290.db2.gz KISOQSTZKHIABL-BEFAXECRSA-N 1 0 382.439 3.370 20 30 GGEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000164334693 1425099631 /nfs/dbraw/zinc/09/96/31/1425099631.db2.gz ZOIIHYGIGXFSRV-UHFFFAOYSA-N 1 0 395.503 3.089 20 30 GGEDRO C=CCc1cc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c(O)c(OC)c1 ZINC000164404893 1425107660 /nfs/dbraw/zinc/10/76/60/1425107660.db2.gz PPYKCKIBHYVXHC-UHFFFAOYSA-N 1 0 396.516 3.456 20 30 GGEDRO C=CCc1cc(C[N@H+]2CCCN(c3nc(CC)ns3)CC2)c(O)c(OC)c1 ZINC000164432721 1425111665 /nfs/dbraw/zinc/11/16/65/1425111665.db2.gz DUPWSGROQHZMNN-UHFFFAOYSA-N 1 0 388.537 3.256 20 30 GGEDRO COc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164485788 1425117211 /nfs/dbraw/zinc/11/72/11/1425117211.db2.gz LIPBBZCQVBDCBF-HNNXBMFYSA-N 1 0 395.507 3.071 20 30 GGEDRO CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000165540389 1425184705 /nfs/dbraw/zinc/18/47/05/1425184705.db2.gz PKORVZJBMQNACN-SFTDATJTSA-N 1 0 383.540 3.359 20 30 GGEDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C#N)c3)C2)cc(OC)c1 ZINC000167080638 1425221653 /nfs/dbraw/zinc/22/16/53/1425221653.db2.gz HSWFGYPNXFBIAQ-QGZVFWFLSA-N 1 0 382.420 3.170 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NCC(F)(F)F)[n+]1cccc(C)c1 ZINC000170637270 1425270829 /nfs/dbraw/zinc/27/08/29/1425270829.db2.gz GHULDRCOZKEHPM-UHFFFAOYSA-O 1 0 383.415 3.382 20 30 GGEDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000170652715 1425278442 /nfs/dbraw/zinc/27/84/42/1425278442.db2.gz RHANHOFZDYNNSM-SFHVURJKSA-N 1 0 386.496 3.218 20 30 GGEDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000170652866 1425278822 /nfs/dbraw/zinc/27/88/22/1425278822.db2.gz MNIJQVJDMFDLQF-HNNXBMFYSA-N 1 0 392.525 3.280 20 30 GGEDRO C#CCOc1ccccc1/C=C1/SC(=S)N(CC(C)(C)C[NH+](C)C)C1=O ZINC000170738290 1425323393 /nfs/dbraw/zinc/32/33/93/1425323393.db2.gz PEIRSOLRWOLYKZ-SFQUDFHCSA-N 1 0 388.558 3.488 20 30 GGEDRO C[C@@H]1CN([C@@H](CNC(=[NH2+])Nc2ccccn2)c2c(F)cccc2Cl)CCO1 ZINC000170912658 1425388471 /nfs/dbraw/zinc/38/84/71/1425388471.db2.gz IJTZSKLNUBNJDQ-CJNGLKHVSA-N 1 0 391.878 3.063 20 30 GGEDRO CN(C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000170919026 1425392529 /nfs/dbraw/zinc/39/25/29/1425392529.db2.gz IMYKRUMVVHYFSZ-QGZVFWFLSA-N 1 0 386.496 3.076 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000170918953 1425392964 /nfs/dbraw/zinc/39/29/64/1425392964.db2.gz HZOFUGILPPMBOE-KRWDZBQOSA-N 1 0 386.496 3.076 20 30 GGEDRO N#CCc1cccc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000170950296 1425410520 /nfs/dbraw/zinc/41/05/20/1425410520.db2.gz OHIHRSNTSFNKPB-UHFFFAOYSA-N 1 0 396.922 3.348 20 30 GGEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000171024488 1425443592 /nfs/dbraw/zinc/44/35/92/1425443592.db2.gz GYSJYIIAIYBNSF-NRFANRHFSA-N 1 0 388.471 3.426 20 30 GGEDRO COc1ccc(NC(=S)C(C(=O)c2ccccc2OC)[n+]2ccccc2)cn1 ZINC000171063852 1425463673 /nfs/dbraw/zinc/46/36/73/1425463673.db2.gz PSJQVGKYPAXJMY-UHFFFAOYSA-O 1 0 394.476 3.437 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2ccccn2)cc1 ZINC000171086788 1425475548 /nfs/dbraw/zinc/47/55/48/1425475548.db2.gz KWMNBEQAPBDPCZ-UHFFFAOYSA-O 1 0 376.505 3.449 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2ccccn2)c1 ZINC000171086806 1425475718 /nfs/dbraw/zinc/47/57/18/1425475718.db2.gz HHWVNIJQNKWSPZ-UHFFFAOYSA-O 1 0 376.505 3.449 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000171102284 1425483108 /nfs/dbraw/zinc/48/31/08/1425483108.db2.gz XUIJGQMOJDDISR-UHFFFAOYSA-N 1 0 394.450 3.377 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000171142104 1425504697 /nfs/dbraw/zinc/50/46/97/1425504697.db2.gz YKNLTGQZMURYJJ-MOPGFXCFSA-N 1 0 385.508 3.024 20 30 GGEDRO C=CCOc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000171171292 1425524625 /nfs/dbraw/zinc/52/46/25/1425524625.db2.gz NKUWDDCOHKKEDP-SFHVURJKSA-N 1 0 393.487 3.201 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2scnc2c1)C(C)C ZINC000171270131 1425586229 /nfs/dbraw/zinc/58/62/29/1425586229.db2.gz DOTIPGBINJAJQW-KRWDZBQOSA-N 1 0 386.521 3.050 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000171275082 1425588676 /nfs/dbraw/zinc/58/86/76/1425588676.db2.gz ODUNJAIVJFPHOY-UHFFFAOYSA-N 1 0 386.540 3.133 20 30 GGEDRO CC1(C)COCCN1CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000171303592 1425604845 /nfs/dbraw/zinc/60/48/45/1425604845.db2.gz ZNQSNCNBOWWBTB-UHFFFAOYSA-N 1 0 379.460 3.191 20 30 GGEDRO N#Cc1ccc(CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C2CC2)cc1 ZINC000171314310 1425612241 /nfs/dbraw/zinc/61/22/41/1425612241.db2.gz LMNNKFUXADPGCB-UHFFFAOYSA-N 1 0 389.503 3.292 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000171317161 1425613952 /nfs/dbraw/zinc/61/39/52/1425613952.db2.gz GDZZISULLIXCDJ-UHFFFAOYSA-N 1 0 380.496 3.241 20 30 GGEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c1 ZINC000171394877 1425659798 /nfs/dbraw/zinc/65/97/98/1425659798.db2.gz YHWTXLFRQAHNTH-UHFFFAOYSA-N 1 0 398.894 3.049 20 30 GGEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)n1cnc2ccccc21 ZINC000171445600 1425682233 /nfs/dbraw/zinc/68/22/33/1425682233.db2.gz MKZAAGOZAGGWJO-QGZVFWFLSA-N 1 0 375.476 3.059 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccco2)s1 ZINC000171450883 1425684989 /nfs/dbraw/zinc/68/49/89/1425684989.db2.gz ICTMYXVXJWWZMB-UHFFFAOYSA-N 1 0 380.473 3.479 20 30 GGEDRO CC[N@H+](C)[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000171478348 1425699478 /nfs/dbraw/zinc/69/94/78/1425699478.db2.gz BLACAFVQBNXNAC-QFIPXVFZSA-N 1 0 376.504 3.290 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000171566261 1425738948 /nfs/dbraw/zinc/73/89/48/1425738948.db2.gz BPPQMXISEPSAQA-UHFFFAOYSA-N 1 0 391.924 3.051 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(C4CC4)sc3c2)CC1 ZINC000171621153 1425761555 /nfs/dbraw/zinc/76/15/55/1425761555.db2.gz APUXGQSDBQDBEZ-UHFFFAOYSA-N 1 0 398.532 3.269 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000171696969 1425792325 /nfs/dbraw/zinc/79/23/25/1425792325.db2.gz HQBNKOGZUYXGGQ-INIZCTEOSA-N 1 0 375.513 3.495 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC000171714959 1425801065 /nfs/dbraw/zinc/80/10/65/1425801065.db2.gz HNMAPWRDBZGTCF-HXUWFJFHSA-N 1 0 399.535 3.115 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000171715010 1425801104 /nfs/dbraw/zinc/80/11/04/1425801104.db2.gz DQWFGPSTADYXLO-UHFFFAOYSA-N 1 0 394.306 3.263 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 ZINC000171715019 1425801197 /nfs/dbraw/zinc/80/11/97/1425801197.db2.gz TWZSTLKSOCVTHR-UHFFFAOYSA-N 1 0 395.425 3.212 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)CC1 ZINC000171716304 1425801209 /nfs/dbraw/zinc/80/12/09/1425801209.db2.gz CJQWHIILEHRQMS-UHFFFAOYSA-N 1 0 385.899 3.178 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)CC1 ZINC000171719419 1425802325 /nfs/dbraw/zinc/80/23/25/1425802325.db2.gz FRUNFWSIRNAOKR-UHFFFAOYSA-N 1 0 395.503 3.440 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)CC1 ZINC000171720460 1425802782 /nfs/dbraw/zinc/80/27/82/1425802782.db2.gz QTNHIYPAEBKKCY-UHFFFAOYSA-N 1 0 384.524 3.265 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)CC1 ZINC000171719969 1425802851 /nfs/dbraw/zinc/80/28/51/1425802851.db2.gz FTOMOURCTSMVOT-UHFFFAOYSA-N 1 0 395.532 3.385 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000171722701 1425803376 /nfs/dbraw/zinc/80/33/76/1425803376.db2.gz SOAOYSNZGQUKFY-UHFFFAOYSA-N 1 0 393.487 3.328 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000171724306 1425804038 /nfs/dbraw/zinc/80/40/38/1425804038.db2.gz QXUBSTQYEUDHIS-UHFFFAOYSA-N 1 0 391.943 3.338 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H](C)CC)CC1 ZINC000171727668 1425804417 /nfs/dbraw/zinc/80/44/17/1425804417.db2.gz GOBQJZAXWBMYPQ-KXBFYZLASA-N 1 0 391.943 3.251 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@H](C)CC)CC1 ZINC000171727673 1425804700 /nfs/dbraw/zinc/80/47/00/1425804700.db2.gz GOBQJZAXWBMYPQ-DNVCBOLYSA-N 1 0 391.943 3.251 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000171738422 1425807638 /nfs/dbraw/zinc/80/76/38/1425807638.db2.gz IZJQQRSDBKXXCQ-UHFFFAOYSA-N 1 0 381.524 3.301 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000171738951 1425808025 /nfs/dbraw/zinc/80/80/25/1425808025.db2.gz DVIMYMGSMYUIOV-UHFFFAOYSA-N 1 0 397.466 3.479 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)CC1 ZINC000171741703 1425808541 /nfs/dbraw/zinc/80/85/41/1425808541.db2.gz MTMXHLZZTYEJCR-QGZVFWFLSA-N 1 0 384.524 3.473 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CC1 ZINC000171741067 1425808728 /nfs/dbraw/zinc/80/87/28/1425808728.db2.gz LTNBKZVKKVUHOX-UHFFFAOYSA-N 1 0 384.524 3.014 20 30 GGEDRO N#CCOc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000171769304 1425816076 /nfs/dbraw/zinc/81/60/76/1425816076.db2.gz LFKLPNFWXCYQJJ-UHFFFAOYSA-N 1 0 376.416 3.040 20 30 GGEDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)cc1 ZINC000172038627 1425880399 /nfs/dbraw/zinc/88/03/99/1425880399.db2.gz QSSFKFLHOWNOPX-JOCHJYFZSA-N 1 0 393.487 3.268 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000172074891 1425889997 /nfs/dbraw/zinc/88/99/97/1425889997.db2.gz HXTJQBSBHWYQLI-QFIPXVFZSA-N 1 0 377.488 3.153 20 30 GGEDRO C[NH+](C)CC[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C(C)(C)C ZINC000172126480 1425907025 /nfs/dbraw/zinc/90/70/25/1425907025.db2.gz NGSHYJLKAJWQRB-HXUWFJFHSA-N 1 0 385.556 3.146 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000172226395 1425954863 /nfs/dbraw/zinc/95/48/63/1425954863.db2.gz LIFDBBXRCILZCN-QUCCMNQESA-N 1 0 384.524 3.385 20 30 GGEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1OC ZINC000172243021 1425962878 /nfs/dbraw/zinc/96/28/78/1425962878.db2.gz KRHZONQVDUFAIT-UHFFFAOYSA-N 1 0 381.476 3.049 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)cc1 ZINC000172384066 1426021539 /nfs/dbraw/zinc/02/15/39/1426021539.db2.gz RPQHDJWJYQPPEV-QFIPXVFZSA-N 1 0 390.487 3.091 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000172417767 1426034373 /nfs/dbraw/zinc/03/43/73/1426034373.db2.gz XITAWMKCCPZBMV-UHFFFAOYSA-N 1 0 396.535 3.190 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1cnn(C)c1)C(=S)N[C@H]1CCCC[C@@H]1C ZINC000172580292 1426096281 /nfs/dbraw/zinc/09/62/81/1426096281.db2.gz QMLUEDQZARKCPA-YJBOKZPZSA-O 1 0 385.557 3.377 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(NS(=O)(=O)CCCC)cc2)CC1 ZINC000172581667 1426097035 /nfs/dbraw/zinc/09/70/35/1426097035.db2.gz RCCDZLBYXDRFID-UHFFFAOYSA-N 1 0 394.541 3.000 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172583674 1426097402 /nfs/dbraw/zinc/09/74/02/1426097402.db2.gz JVACNRGPBXXFJS-OAHLLOKOSA-N 1 0 386.565 3.386 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172647521 1426125615 /nfs/dbraw/zinc/12/56/15/1426125615.db2.gz UHAARGWKQXZJJB-UHFFFAOYSA-N 1 0 385.508 3.057 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000172676339 1426139040 /nfs/dbraw/zinc/13/90/40/1426139040.db2.gz GJBRFHDZKODAED-KRWDZBQOSA-N 1 0 383.517 3.371 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000172752794 1426173661 /nfs/dbraw/zinc/17/36/61/1426173661.db2.gz PFSYHBGKLNOGHL-GOSISDBHSA-N 1 0 384.524 3.327 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1SCCc2ccccc21 ZINC000172899525 1426245700 /nfs/dbraw/zinc/24/57/00/1426245700.db2.gz YWCJLGPXFSWKSN-NRFANRHFSA-N 1 0 379.529 3.479 20 30 GGEDRO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000172950626 1426281810 /nfs/dbraw/zinc/28/18/10/1426281810.db2.gz MFBLTDJBIGOOSQ-FXAWDEMLSA-N 1 0 391.496 3.304 20 30 GGEDRO C=CCn1c(=S)n(CN2CC[C@@H](C[NH+]3CCCCC3)C2)nc1-c1cccnc1 ZINC000172958269 1426284056 /nfs/dbraw/zinc/28/40/56/1426284056.db2.gz RSPNLADCWAGPKI-SFHVURJKSA-N 1 0 398.580 3.427 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccccc2CN(C)Cc2ccco2)CC1 ZINC000173197327 1426387129 /nfs/dbraw/zinc/38/71/29/1426387129.db2.gz UDVCIZJNDCUTQT-UHFFFAOYSA-N 1 0 396.535 3.361 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000173223340 1426406544 /nfs/dbraw/zinc/40/65/44/1426406544.db2.gz KMWXPVBEMCJQRT-FQEVSTJZSA-N 1 0 383.517 3.091 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)ccc2NC1=O ZINC000173229113 1426413492 /nfs/dbraw/zinc/41/34/92/1426413492.db2.gz AISRXKNGLBGBAY-NJSLBKSFSA-N 1 0 392.459 3.346 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)ccc2NC1=O ZINC000173228988 1426413804 /nfs/dbraw/zinc/41/38/04/1426413804.db2.gz UNSCNWXVKDCXFU-MPGHIAIKSA-N 1 0 398.507 3.178 20 30 GGEDRO CC(C)CC(=O)Nc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1F ZINC000173255963 1426435035 /nfs/dbraw/zinc/43/50/35/1426435035.db2.gz HJMWDZKVPHXAMR-UHFFFAOYSA-N 1 0 376.476 3.118 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000173276100 1426453881 /nfs/dbraw/zinc/45/38/81/1426453881.db2.gz WBJGLCKCIIYECX-UHFFFAOYSA-N 1 0 389.805 3.064 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000173325208 1426507460 /nfs/dbraw/zinc/50/74/60/1426507460.db2.gz VNNNNRXNJRFINI-APWZRJJASA-N 1 0 389.546 3.290 20 30 GGEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000173338006 1426518223 /nfs/dbraw/zinc/51/82/23/1426518223.db2.gz QQGCASMYELEMIS-IEBWSBKVSA-N 1 0 380.496 3.314 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173344988 1426523898 /nfs/dbraw/zinc/52/38/98/1426523898.db2.gz BCPVPSXAAAEBFB-UHFFFAOYSA-N 1 0 380.496 3.173 20 30 GGEDRO CC1CC[NH+](Cc2cccc(CNC(=O)Nc3ccn(CCC#N)n3)c2)CC1 ZINC000173350143 1426527346 /nfs/dbraw/zinc/52/73/46/1426527346.db2.gz QYWVCUUWUSYIFU-UHFFFAOYSA-N 1 0 380.496 3.350 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(CCC#N)n1 ZINC000173353491 1426529665 /nfs/dbraw/zinc/52/96/65/1426529665.db2.gz XSIIPBGDTMKXIU-LJQANCHMSA-N 1 0 380.496 3.173 20 30 GGEDRO C=CCn1c(-c2ccco2)nn(CN2CC[C@@H](C[N@@H+](C)CCC)C2)c1=S ZINC000173445566 1426625103 /nfs/dbraw/zinc/62/51/03/1426625103.db2.gz WOKJZVONLZSCJR-INIZCTEOSA-N 1 0 375.542 3.481 20 30 GGEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173600292 1426768479 /nfs/dbraw/zinc/76/84/79/1426768479.db2.gz UVQFYMHJIZWJCG-JKSUJKDBSA-N 1 0 386.565 3.243 20 30 GGEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000173655915 1426811971 /nfs/dbraw/zinc/81/19/71/1426811971.db2.gz XLUMRPSGLUSIHX-RBBKRZOGSA-N 1 0 375.472 3.202 20 30 GGEDRO CO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000173681180 1426819618 /nfs/dbraw/zinc/81/96/18/1426819618.db2.gz WVXGZDIQWVFEPG-NRFANRHFSA-N 1 0 398.482 3.158 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000173738373 1426835544 /nfs/dbraw/zinc/83/55/44/1426835544.db2.gz WLSSLHCGFSCGHQ-UHFFFAOYSA-N 1 0 391.475 3.039 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000173782306 1426849950 /nfs/dbraw/zinc/84/99/50/1426849950.db2.gz SZGKYDZRXUPSKO-UHFFFAOYSA-N 1 0 385.439 3.100 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000173787612 1426851254 /nfs/dbraw/zinc/85/12/54/1426851254.db2.gz SQEJJQHQXJFSPO-UHFFFAOYSA-N 1 0 385.439 3.100 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000173797899 1426853922 /nfs/dbraw/zinc/85/39/22/1426853922.db2.gz NSROQRXBDPHVQX-AEFFLSMTSA-N 1 0 391.487 3.096 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000173798995 1426854376 /nfs/dbraw/zinc/85/43/76/1426854376.db2.gz WWWOPEQTBNTOLI-UHFFFAOYSA-N 1 0 394.431 3.338 20 30 GGEDRO CN(C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000173835052 1426864572 /nfs/dbraw/zinc/86/45/72/1426864572.db2.gz DEGMYXFAFPVOCR-KRWDZBQOSA-N 1 0 386.496 3.218 20 30 GGEDRO CN(C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000173835062 1426864815 /nfs/dbraw/zinc/86/48/15/1426864815.db2.gz DEGMYXFAFPVOCR-QGZVFWFLSA-N 1 0 386.496 3.218 20 30 GGEDRO CC(C)CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000173856466 1426872559 /nfs/dbraw/zinc/87/25/59/1426872559.db2.gz BKKVUEMCGSXWCJ-GOSISDBHSA-N 1 0 397.523 3.383 20 30 GGEDRO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000173877227 1426878821 /nfs/dbraw/zinc/87/88/21/1426878821.db2.gz XBPACABCSOATNX-SNVBAGLBSA-N 1 0 377.291 3.225 20 30 GGEDRO CC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000173899050 1426884545 /nfs/dbraw/zinc/88/45/45/1426884545.db2.gz QFJLEOLSMHVLJS-MRXNPFEDSA-N 1 0 388.581 3.491 20 30 GGEDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000173900528 1426884867 /nfs/dbraw/zinc/88/48/67/1426884867.db2.gz QEXSIRDERRSUNV-LJQANCHMSA-N 1 0 393.535 3.178 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CCN(c2ccc(C)cn2)CC1)C(C)C ZINC000173927349 1426895488 /nfs/dbraw/zinc/89/54/88/1426895488.db2.gz WPABCRBCAGHLHK-NRFANRHFSA-N 1 0 399.583 3.357 20 30 GGEDRO Cc1oc(NC(=O)CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000173979925 1426923467 /nfs/dbraw/zinc/92/34/67/1426923467.db2.gz NPVMDBZDWHLCNZ-LJQANCHMSA-N 1 0 380.492 3.161 20 30 GGEDRO Cc1oc(NC(=O)CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000173979907 1426923632 /nfs/dbraw/zinc/92/36/32/1426923632.db2.gz NPVMDBZDWHLCNZ-IBGZPJMESA-N 1 0 380.492 3.161 20 30 GGEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc(C#N)ccc1F ZINC000174024838 1426951990 /nfs/dbraw/zinc/95/19/90/1426951990.db2.gz HFSHUYKOFZOXIH-LJQANCHMSA-N 1 0 380.467 3.361 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174039621 1426963448 /nfs/dbraw/zinc/96/34/48/1426963448.db2.gz LGGADZRNEQMJBT-FQEVSTJZSA-N 1 0 383.517 3.009 20 30 GGEDRO Cc1ccccc1OCCCO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000174126732 1427012962 /nfs/dbraw/zinc/01/29/62/1427012962.db2.gz ISESKZJHKLFCPR-UHFFFAOYSA-N 1 0 383.492 3.062 20 30 GGEDRO CC(=O)c1ccc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)cc1 ZINC000174128181 1427013527 /nfs/dbraw/zinc/01/35/27/1427013527.db2.gz FVJAXALNPXFCDW-UHFFFAOYSA-N 1 0 394.475 3.155 20 30 GGEDRO NC(=[NH+]OCc1cc(-c2cccs2)on1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174127196 1427014024 /nfs/dbraw/zinc/01/40/24/1427014024.db2.gz CRJDBUXLYCYVIW-UHFFFAOYSA-N 1 0 398.488 3.201 20 30 GGEDRO C[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000174129586 1427014374 /nfs/dbraw/zinc/01/43/74/1427014374.db2.gz CKXOVSZLTQWTHH-OAHLLOKOSA-N 1 0 386.521 3.253 20 30 GGEDRO NC(=[NH+]OCC(=O)Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)cc1 ZINC000174129024 1427014611 /nfs/dbraw/zinc/01/46/11/1427014611.db2.gz ZHCRMZKYGMYZNJ-UHFFFAOYSA-N 1 0 388.418 3.231 20 30 GGEDRO CC(=O)c1cccc(NC(=O)CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)c1 ZINC000174129196 1427014698 /nfs/dbraw/zinc/01/46/98/1427014698.db2.gz YUWWVRMKGKGKPD-UHFFFAOYSA-N 1 0 394.475 3.155 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3CCCOC3)sc2C1 ZINC000174148469 1427021421 /nfs/dbraw/zinc/02/14/21/1427021421.db2.gz AWRXBVMVBCFROH-CABCVRRESA-N 1 0 375.538 3.432 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000174259545 1427073196 /nfs/dbraw/zinc/07/31/96/1427073196.db2.gz JSYRVYLLYZNRON-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO C[C@H]1CN([C@@H](C[NH2+]Cc2ccc(C#N)o2)c2c(F)cccc2Cl)CCO1 ZINC000174271765 1427078604 /nfs/dbraw/zinc/07/86/04/1427078604.db2.gz NWOXEQPCUPXCTK-UGSOOPFHSA-N 1 0 377.847 3.495 20 30 GGEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C#N ZINC000174277701 1427080755 /nfs/dbraw/zinc/08/07/55/1427080755.db2.gz GYJDLFRKHAJNPE-HNNXBMFYSA-N 1 0 379.460 3.075 20 30 GGEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C#N ZINC000174277714 1427080925 /nfs/dbraw/zinc/08/09/25/1427080925.db2.gz GYJDLFRKHAJNPE-OAHLLOKOSA-N 1 0 379.460 3.075 20 30 GGEDRO COc1ccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1C#N ZINC000174305731 1427093457 /nfs/dbraw/zinc/09/34/57/1427093457.db2.gz REWFQDQJOCYGTN-UHFFFAOYSA-N 1 0 380.444 3.134 20 30 GGEDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C#N ZINC000174306359 1427094259 /nfs/dbraw/zinc/09/42/59/1427094259.db2.gz YETJDVFEZYYKPT-IAGOWNOFSA-N 1 0 393.487 3.106 20 30 GGEDRO COc1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1C#N ZINC000174322227 1427100940 /nfs/dbraw/zinc/10/09/40/1427100940.db2.gz ICIGABCWLOGDJW-FQEVSTJZSA-N 1 0 385.895 3.383 20 30 GGEDRO Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)ccc1OCC[NH+]1CCCC1 ZINC000174326493 1427102778 /nfs/dbraw/zinc/10/27/78/1427102778.db2.gz HBNVGIFYBUDMOA-UHFFFAOYSA-N 1 0 385.489 3.142 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)o1 ZINC000174327543 1427103743 /nfs/dbraw/zinc/10/37/43/1427103743.db2.gz RZTBETZHGWXXRR-GOSISDBHSA-N 1 0 379.382 3.333 20 30 GGEDRO Cc1nnc(-c2cccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2)o1 ZINC000174350506 1427115214 /nfs/dbraw/zinc/11/52/14/1427115214.db2.gz VREABWJWKDSVMY-UHFFFAOYSA-N 1 0 389.459 3.121 20 30 GGEDRO COc1cc(-c2noc(CCCCC[NH2+]Cc3ccc(C#N)o3)n2)ccc1O ZINC000174392470 1427135168 /nfs/dbraw/zinc/13/51/68/1427135168.db2.gz IXFFGXNHONKPEE-UHFFFAOYSA-N 1 0 382.420 3.418 20 30 GGEDRO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC1CCN(c2ccccn2)CC1 ZINC000174392785 1427135533 /nfs/dbraw/zinc/13/55/33/1427135533.db2.gz OJCDSJRXXPVNEP-UHFFFAOYSA-N 1 0 397.567 3.305 20 30 GGEDRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000174410541 1427146032 /nfs/dbraw/zinc/14/60/32/1427146032.db2.gz CASVCEPPGOPSIZ-HNNXBMFYSA-N 1 0 398.894 3.177 20 30 GGEDRO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cc(Br)ccc1O ZINC000174426833 1427152376 /nfs/dbraw/zinc/15/23/76/1427152376.db2.gz UVAXWKXOQYPFAZ-QGZVFWFLSA-N 1 0 382.302 3.031 20 30 GGEDRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000174438438 1427156213 /nfs/dbraw/zinc/15/62/13/1427156213.db2.gz GNUCQWSSRGELOD-UXHICEINSA-N 1 0 378.520 3.278 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174524471 1427202900 /nfs/dbraw/zinc/20/29/00/1427202900.db2.gz UNQNNHFSYMPYBH-IBGZPJMESA-N 1 0 385.508 3.060 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000174529215 1427205970 /nfs/dbraw/zinc/20/59/70/1427205970.db2.gz JLCBGZDGPNIHBZ-FQEVSTJZSA-N 1 0 396.535 3.048 20 30 GGEDRO N#Cc1ccc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000174601392 1427251932 /nfs/dbraw/zinc/25/19/32/1427251932.db2.gz VZVJPQDIJHIOBL-UHFFFAOYSA-N 1 0 389.546 3.127 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccsc1 ZINC000174628917 1427274329 /nfs/dbraw/zinc/27/43/29/1427274329.db2.gz XSIJYNPDDYMZQX-SFHVURJKSA-N 1 0 384.505 3.066 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccsc1 ZINC000174628929 1427274811 /nfs/dbraw/zinc/27/48/11/1427274811.db2.gz XSIJYNPDDYMZQX-GOSISDBHSA-N 1 0 384.505 3.066 20 30 GGEDRO Cc1nnc(-c2cccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2)o1 ZINC000174645503 1427284940 /nfs/dbraw/zinc/28/49/40/1427284940.db2.gz RKXUIZOSBHIANZ-UHFFFAOYSA-N 1 0 389.459 3.121 20 30 GGEDRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cccc(OCCCC#N)c3)c2)CC1 ZINC000174695294 1427315227 /nfs/dbraw/zinc/31/52/27/1427315227.db2.gz GNYPNJBVDKWKJD-UHFFFAOYSA-N 1 0 392.503 3.369 20 30 GGEDRO Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000174710406 1427323339 /nfs/dbraw/zinc/32/33/39/1427323339.db2.gz ZXWVSVJWYUQIRD-UHFFFAOYSA-N 1 0 376.504 3.403 20 30 GGEDRO COc1cccc(NC(=O)CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000174732053 1427336785 /nfs/dbraw/zinc/33/67/85/1427336785.db2.gz PISQIPVFJQQEKT-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO CC[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[N@@H+]1C[C@@H](C)O ZINC000174733566 1427338214 /nfs/dbraw/zinc/33/82/14/1427338214.db2.gz YFZTXUYGIRPKEJ-OCCSQVGLSA-N 1 0 376.863 3.180 20 30 GGEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000174744213 1427344587 /nfs/dbraw/zinc/34/45/87/1427344587.db2.gz OMWUJXVQEVNRHQ-UHFFFAOYSA-N 1 0 392.503 3.345 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000174774821 1427359951 /nfs/dbraw/zinc/35/99/51/1427359951.db2.gz MVLTZCPLDFABBN-GOSISDBHSA-N 1 0 392.507 3.084 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000174774810 1427360023 /nfs/dbraw/zinc/36/00/23/1427360023.db2.gz MVLTZCPLDFABBN-SFHVURJKSA-N 1 0 392.507 3.084 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000174777168 1427361556 /nfs/dbraw/zinc/36/15/56/1427361556.db2.gz BSBHFPSXAKUUQQ-KRWDZBQOSA-N 1 0 390.959 3.379 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1C#N ZINC000174802151 1427377038 /nfs/dbraw/zinc/37/70/38/1427377038.db2.gz NFUZTBFGOADMSG-UHFFFAOYSA-N 1 0 398.894 3.049 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174802545 1427377626 /nfs/dbraw/zinc/37/76/26/1427377626.db2.gz ZKGBRILRHOOHFZ-UHFFFAOYSA-N 1 0 394.431 3.338 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2C#N)[NH+]2CCCC2)cc1 ZINC000174811564 1427382026 /nfs/dbraw/zinc/38/20/26/1427382026.db2.gz YHKOVNGTPXUDBW-OAQYLSRUSA-N 1 0 390.487 3.067 20 30 GGEDRO CN(C(=O)C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1)C1(C#N)CCCCC1 ZINC000174827972 1427390314 /nfs/dbraw/zinc/39/03/14/1427390314.db2.gz FMQSHSSUKHQCJK-UHFFFAOYSA-N 1 0 392.544 3.003 20 30 GGEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000174930437 1427451349 /nfs/dbraw/zinc/45/13/49/1427451349.db2.gz HIUMCACRGPGHIX-FUHWJXTLSA-N 1 0 381.476 3.363 20 30 GGEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000174930494 1427451540 /nfs/dbraw/zinc/45/15/40/1427451540.db2.gz HIUMCACRGPGHIX-AEFFLSMTSA-N 1 0 381.476 3.363 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174954429 1427465007 /nfs/dbraw/zinc/46/50/07/1427465007.db2.gz WYBOQGBWEBXUKY-OAQYLSRUSA-N 1 0 376.504 3.483 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000175044572 1427516926 /nfs/dbraw/zinc/51/69/26/1427516926.db2.gz SLCGASXQFWEQMV-UHFFFAOYSA-N 1 0 377.488 3.319 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175156729 1427572969 /nfs/dbraw/zinc/57/29/69/1427572969.db2.gz LEJAOGTZSKDLTK-HXUWFJFHSA-N 1 0 393.487 3.230 20 30 GGEDRO N#CCSCC(=O)O[C@H]1CCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000175184335 1427588484 /nfs/dbraw/zinc/58/84/84/1427588484.db2.gz AFVPYYFPIPNPFN-MSOLQXFVSA-N 1 0 393.940 3.183 20 30 GGEDRO N#Cc1c[nH]c(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000175282217 1427645613 /nfs/dbraw/zinc/64/56/13/1427645613.db2.gz SBWGRFYGFYRSKM-UHFFFAOYSA-N 1 0 399.498 3.139 20 30 GGEDRO N#Cc1csc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000175282767 1427645984 /nfs/dbraw/zinc/64/59/84/1427645984.db2.gz XERWZJLTGIHVEQ-UHFFFAOYSA-N 1 0 383.517 3.421 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc(N2CCCNC2=O)c1)C(C)C ZINC000175332443 1427685178 /nfs/dbraw/zinc/68/51/78/1427685178.db2.gz PJVVWVGAXDNVCY-FQEVSTJZSA-N 1 0 384.524 3.035 20 30 GGEDRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000175457154 1427765198 /nfs/dbraw/zinc/76/51/98/1427765198.db2.gz LQJAPXXSYWZJQJ-UHFFFAOYSA-N 1 0 390.531 3.234 20 30 GGEDRO C[NH+]=C(NCc1c(C)noc1C)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000175475113 1427774964 /nfs/dbraw/zinc/77/49/64/1427774964.db2.gz BNVGZHOUSKVYLZ-UHFFFAOYSA-N 1 0 398.507 3.240 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175495573 1427788514 /nfs/dbraw/zinc/78/85/14/1427788514.db2.gz QKGIOIGMXGNVSR-NQIIRXRSSA-N 1 0 392.503 3.441 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000175511312 1427797559 /nfs/dbraw/zinc/79/75/59/1427797559.db2.gz ICGZJPVFNVMNQN-JOCHJYFZSA-N 1 0 385.552 3.460 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000175511116 1427797577 /nfs/dbraw/zinc/79/75/77/1427797577.db2.gz UWNIFOOZLPZOJG-MSOLQXFVSA-N 1 0 377.554 3.386 20 30 GGEDRO COC(=O)[C@H](c1ccccc1F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000175523696 1427803322 /nfs/dbraw/zinc/80/33/22/1427803322.db2.gz IQHYPKRFOCFLJN-NRFANRHFSA-N 1 0 381.451 3.119 20 30 GGEDRO N#CCSCC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175535030 1427806841 /nfs/dbraw/zinc/80/68/41/1427806841.db2.gz SQACNMOSHBMOKL-INIZCTEOSA-N 1 0 385.455 3.156 20 30 GGEDRO Cc1cccc2[nH]c(CCC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)nc21 ZINC000175589175 1427823416 /nfs/dbraw/zinc/82/34/16/1427823416.db2.gz AZHXVPQXLKAPAD-UHFFFAOYSA-N 1 0 389.503 3.266 20 30 GGEDRO CCO[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000175667850 1427850748 /nfs/dbraw/zinc/85/07/48/1427850748.db2.gz HTLKVGCDODXLQP-SFTDATJTSA-N 1 0 396.535 3.123 20 30 GGEDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cccc(SCC#N)c3)c2)CC1 ZINC000175691252 1427859896 /nfs/dbraw/zinc/85/98/96/1427859896.db2.gz MMQAEEMFDYRGQH-UHFFFAOYSA-N 1 0 380.517 3.302 20 30 GGEDRO C[S@](=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000175732960 1427872944 /nfs/dbraw/zinc/87/29/44/1427872944.db2.gz DKZICXBHKIKGBC-NDEPHWFRSA-N 1 0 396.516 3.035 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175806332 1427900819 /nfs/dbraw/zinc/90/08/19/1427900819.db2.gz DPGLKORGJXOVPF-UNMCSNQZSA-N 1 0 389.536 3.205 20 30 GGEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000175807446 1427901403 /nfs/dbraw/zinc/90/14/03/1427901403.db2.gz FZKAGMBNGLYHII-UHFFFAOYSA-N 1 0 389.499 3.014 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175845768 1427927826 /nfs/dbraw/zinc/92/78/26/1427927826.db2.gz AOJZSDWIVUEBNE-YLJYHZDGSA-N 1 0 383.517 3.198 20 30 GGEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH+](C4CCOCC4)CC3)c2)cc1 ZINC000175853714 1427933680 /nfs/dbraw/zinc/93/36/80/1427933680.db2.gz IFFGUYOZNJRONG-UHFFFAOYSA-N 1 0 391.471 3.287 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175858242 1427936307 /nfs/dbraw/zinc/93/63/07/1427936307.db2.gz DTJNGLLTSMBNMK-UWVAXJGDSA-N 1 0 377.554 3.471 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175861433 1427938039 /nfs/dbraw/zinc/93/80/39/1427938039.db2.gz OIRPXWLJHFTXRL-UHFFFAOYSA-N 1 0 375.472 3.162 20 30 GGEDRO CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccnc1 ZINC000175908394 1427965297 /nfs/dbraw/zinc/96/52/97/1427965297.db2.gz YFDCSCKMXZNECW-JOCHJYFZSA-N 1 0 393.535 3.466 20 30 GGEDRO C=C(Br)CNC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175960569 1427999722 /nfs/dbraw/zinc/99/97/22/1427999722.db2.gz ZIHBYZLBSGMXSH-KRWDZBQOSA-N 1 0 380.330 3.449 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000176017649 1428029777 /nfs/dbraw/zinc/02/97/77/1428029777.db2.gz SCNHCGUQGLSZBQ-UHFFFAOYSA-N 1 0 375.469 3.495 20 30 GGEDRO CC(C)C1CCC([NH+]2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000176027026 1428033786 /nfs/dbraw/zinc/03/37/86/1428033786.db2.gz NJJCSVRFNGDXPY-BBHUYCHWSA-N 1 0 394.563 3.496 20 30 GGEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176063326 1428061891 /nfs/dbraw/zinc/06/18/91/1428061891.db2.gz XDQYJXQBHAGQIS-UHFFFAOYSA-N 1 0 395.503 3.219 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000176091250 1428077349 /nfs/dbraw/zinc/07/73/49/1428077349.db2.gz YSYHSIQLNHLGTO-UHFFFAOYSA-N 1 0 397.454 3.492 20 30 GGEDRO N#Cc1ccc(F)c(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000176101728 1428083858 /nfs/dbraw/zinc/08/38/58/1428083858.db2.gz MRPJMRBLHMLKME-UHFFFAOYSA-N 1 0 386.496 3.470 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176119917 1428094857 /nfs/dbraw/zinc/09/48/57/1428094857.db2.gz OPFYWCPQBISUFI-WIYYLYMNSA-N 1 0 377.488 3.301 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176119946 1428094940 /nfs/dbraw/zinc/09/49/40/1428094940.db2.gz OPFYWCPQBISUFI-NQIIRXRSSA-N 1 0 377.488 3.301 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000176151538 1428120928 /nfs/dbraw/zinc/12/09/28/1428120928.db2.gz SPWKJYUIGDHZNL-QUCCMNQESA-N 1 0 384.524 3.126 20 30 GGEDRO Cn1cc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180177422 1429783245 /nfs/dbraw/zinc/78/32/45/1429783245.db2.gz SARKPIUILQGDPO-UHFFFAOYSA-N 1 0 391.519 3.183 20 30 GGEDRO Cn1cc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000180199134 1429800038 /nfs/dbraw/zinc/80/00/38/1429800038.db2.gz WTXNZEOSTKMLAR-UHFFFAOYSA-N 1 0 399.498 3.418 20 30 GGEDRO C=CCc1ccc(OCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(OC)c1 ZINC000180204340 1429801275 /nfs/dbraw/zinc/80/12/75/1429801275.db2.gz PVLBFBXUOAMIOG-UHFFFAOYSA-N 1 0 395.503 3.230 20 30 GGEDRO Cn1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180205856 1429801406 /nfs/dbraw/zinc/80/14/06/1429801406.db2.gz ZZCAELMLTBCHTQ-SFHVURJKSA-N 1 0 381.480 3.058 20 30 GGEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180214045 1429803578 /nfs/dbraw/zinc/80/35/78/1429803578.db2.gz NCAMOHPPPWABKD-UHFFFAOYSA-N 1 0 378.476 3.143 20 30 GGEDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C[C@H](C)O1 ZINC000180229585 1429808683 /nfs/dbraw/zinc/80/86/83/1429808683.db2.gz JQMKQGMITIJGJO-ROUUACIJSA-N 1 0 381.520 3.203 20 30 GGEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)c1 ZINC000180241556 1429812391 /nfs/dbraw/zinc/81/23/91/1429812391.db2.gz LEMMFCFBLBMBAM-UHFFFAOYSA-N 1 0 392.503 3.435 20 30 GGEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180300812 1429830047 /nfs/dbraw/zinc/83/00/47/1429830047.db2.gz HXRCBXOEMGJKJW-UHFFFAOYSA-N 1 0 399.535 3.067 20 30 GGEDRO Cn1cc(CNc2cccc(CN3CCOCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180320303 1429835601 /nfs/dbraw/zinc/83/56/01/1429835601.db2.gz UBEPLSFLGXLTRC-UHFFFAOYSA-N 1 0 387.487 3.403 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3CN3CCNC3=O)CC2)cc1 ZINC000180321433 1429835876 /nfs/dbraw/zinc/83/58/76/1429835876.db2.gz LGTZLXQGITWOMG-UHFFFAOYSA-N 1 0 389.503 3.160 20 30 GGEDRO COc1ccc(COCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180355646 1429844604 /nfs/dbraw/zinc/84/46/04/1429844604.db2.gz IUFMHIHVVIVGRW-UHFFFAOYSA-N 1 0 376.460 3.274 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000180411920 1429861308 /nfs/dbraw/zinc/86/13/08/1429861308.db2.gz IHMLWWYLXOKFNN-ZWKOTPCHSA-N 1 0 399.535 3.349 20 30 GGEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180411563 1429861318 /nfs/dbraw/zinc/86/13/18/1429861318.db2.gz LOFZOIDVBJPUDY-DLBZAZTESA-N 1 0 396.535 3.195 20 30 GGEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000180437415 1429869498 /nfs/dbraw/zinc/86/94/98/1429869498.db2.gz LRGXBFXLKBTONX-UHFFFAOYSA-N 1 0 392.503 3.292 20 30 GGEDRO CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000180476777 1429878805 /nfs/dbraw/zinc/87/88/05/1429878805.db2.gz ALPRSYXDCGHGOI-KORDQABASA-N 1 0 389.499 3.359 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCN(CC(F)F)CC1)CCCC2 ZINC000180580244 1429909128 /nfs/dbraw/zinc/90/91/28/1429909128.db2.gz UOWLFQBXJZBEJQ-UHFFFAOYSA-N 1 0 396.507 3.100 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](CO)C(C)(C)C)c1C#N ZINC000180619402 1429936520 /nfs/dbraw/zinc/93/65/20/1429936520.db2.gz IWXSTTIOMXNIPR-GOSISDBHSA-N 1 0 386.471 3.040 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000180716566 1429997296 /nfs/dbraw/zinc/99/72/96/1429997296.db2.gz GRPOKMFFDWFEAZ-RTBURBONSA-N 1 0 379.451 3.135 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000180716584 1429997659 /nfs/dbraw/zinc/99/76/59/1429997659.db2.gz GRPOKMFFDWFEAZ-RBUKOAKNSA-N 1 0 379.451 3.135 20 30 GGEDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000180734307 1430006916 /nfs/dbraw/zinc/00/69/16/1430006916.db2.gz ZLPBNYHUULDXNP-UHFFFAOYSA-N 1 0 384.524 3.166 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)ccc1OC ZINC000180810992 1430054144 /nfs/dbraw/zinc/05/41/44/1430054144.db2.gz MCOXJXGSQLSVIH-BEFAXECRSA-N 1 0 392.463 3.203 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180817028 1430055734 /nfs/dbraw/zinc/05/57/34/1430055734.db2.gz URNBKNCYWRFNJQ-UHFFFAOYSA-N 1 0 379.464 3.390 20 30 GGEDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000180827881 1430060482 /nfs/dbraw/zinc/06/04/82/1430060482.db2.gz HJUVOMVCWBDQBE-QFIPXVFZSA-N 1 0 377.488 3.437 20 30 GGEDRO O=C(NCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1)C1N=CC=CC1=O ZINC000180869938 1430078618 /nfs/dbraw/zinc/07/86/18/1430078618.db2.gz VGDVNYOHNOEGQX-LPNGOHTBSA-N 1 0 375.472 3.477 20 30 GGEDRO O=C(NCC[NH2+][C@H](CCc1ccccc1)c1ccccc1)C1N=CC=CC1=O ZINC000180869963 1430078637 /nfs/dbraw/zinc/07/86/37/1430078637.db2.gz VGDVNYOHNOEGQX-UXDFZSADSA-N 1 0 375.472 3.477 20 30 GGEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccccc1OCc1ccccc1 ZINC000180873578 1430080498 /nfs/dbraw/zinc/08/04/98/1430080498.db2.gz JVCYVRQVHOEUOX-LBNMDVIHSA-N 1 0 391.471 3.443 20 30 GGEDRO CC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc2cc(OC)ccc2c1 ZINC000180879517 1430084783 /nfs/dbraw/zinc/08/47/83/1430084783.db2.gz XMQUYSRQMSZNCA-LURZSEBBSA-N 1 0 379.460 3.416 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000180882999 1430087066 /nfs/dbraw/zinc/08/70/66/1430087066.db2.gz NUPNCTFJLJBUGO-OAHLLOKOSA-N 1 0 390.352 3.353 20 30 GGEDRO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000180927309 1430118921 /nfs/dbraw/zinc/11/89/21/1430118921.db2.gz PEBDEHCHZIVLLF-QGZVFWFLSA-N 1 0 386.540 3.017 20 30 GGEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000180927293 1430119097 /nfs/dbraw/zinc/11/90/97/1430119097.db2.gz PEBDEHCHZIVLLF-KRWDZBQOSA-N 1 0 386.540 3.017 20 30 GGEDRO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000180936377 1430124398 /nfs/dbraw/zinc/12/43/98/1430124398.db2.gz GZJHCSJXGYQKTA-QGZVFWFLSA-N 1 0 389.565 3.077 20 30 GGEDRO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000180967572 1430141546 /nfs/dbraw/zinc/14/15/46/1430141546.db2.gz WBJNGTODGAFWEY-MRXNPFEDSA-N 1 0 375.538 3.035 20 30 GGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000180969036 1430142857 /nfs/dbraw/zinc/14/28/57/1430142857.db2.gz BFCHMNXZGHONGF-CVEARBPZSA-N 1 0 396.553 3.047 20 30 GGEDRO C=CCNC(=O)C[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1 ZINC000181132273 1430220683 /nfs/dbraw/zinc/22/06/83/1430220683.db2.gz FQXNTEZEAXDIDQ-UHFFFAOYSA-N 1 0 378.451 3.379 20 30 GGEDRO C=CCNC(=O)c1ccc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000181261298 1430258285 /nfs/dbraw/zinc/25/82/85/1430258285.db2.gz POWRGUZXMJBCHL-UHFFFAOYSA-N 1 0 379.508 3.135 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccccc1C#N ZINC000181269192 1430259848 /nfs/dbraw/zinc/25/98/48/1430259848.db2.gz SJBXETBWDAMUEX-GJZGRUSLSA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000181282355 1430262381 /nfs/dbraw/zinc/26/23/81/1430262381.db2.gz AWQAQHOAWNVIDJ-KRWDZBQOSA-N 1 0 392.459 3.241 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181292355 1430264870 /nfs/dbraw/zinc/26/48/70/1430264870.db2.gz KMBVCAQJHBWXLU-OAHLLOKOSA-N 1 0 378.432 3.194 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c(C#N)c1C ZINC000181292479 1430265075 /nfs/dbraw/zinc/26/50/75/1430265075.db2.gz YBOPKRSXOJTWID-KBPBESRZSA-N 1 0 396.447 3.403 20 30 GGEDRO N#CCOc1ccc(CC(=O)O[C@H]2CC[N@H+](Cc3ccc4c(c3)CCC4)C2)cc1 ZINC000181292878 1430265126 /nfs/dbraw/zinc/26/51/26/1430265126.db2.gz AHYJAQDQVFQDEB-QHCPKHFHSA-N 1 0 390.483 3.438 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccccc1C#N ZINC000181302292 1430267588 /nfs/dbraw/zinc/26/75/88/1430267588.db2.gz VCBNIZQBYJOJMV-HUUCEWRRSA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000181323994 1430272854 /nfs/dbraw/zinc/27/28/54/1430272854.db2.gz UYIMNRVIMFOZCA-ZDUSSCGKSA-N 1 0 398.850 3.458 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000181329874 1430274624 /nfs/dbraw/zinc/27/46/24/1430274624.db2.gz ZMNHKEXSMDGNSB-HNNXBMFYSA-N 1 0 378.432 3.194 20 30 GGEDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)cc1 ZINC000181399466 1430288859 /nfs/dbraw/zinc/28/88/59/1430288859.db2.gz JRCXBYZQRQSCPB-WZONZLPQSA-N 1 0 395.503 3.322 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000181407392 1430290162 /nfs/dbraw/zinc/29/01/62/1430290162.db2.gz UDNDNHVLOXSISJ-AWEZNQCLSA-N 1 0 382.489 3.426 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c(C#N)c1C ZINC000181418089 1430293393 /nfs/dbraw/zinc/29/33/93/1430293393.db2.gz PYSNLSUPUUIDPX-CQSZACIVSA-N 1 0 380.448 3.184 20 30 GGEDRO N#Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)c[nH]1 ZINC000181434336 1430298197 /nfs/dbraw/zinc/29/81/97/1430298197.db2.gz LNLHKPNJUWRZFM-UHFFFAOYSA-N 1 0 379.464 3.343 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1C#N ZINC000181448323 1430301704 /nfs/dbraw/zinc/30/17/04/1430301704.db2.gz KJGYREBNTPAKOC-XLIONFOSSA-N 1 0 398.507 3.039 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](CCO)C(C)(C)C)c1C#N ZINC000181465271 1430305419 /nfs/dbraw/zinc/30/54/19/1430305419.db2.gz BMVKICMCBFJQSM-HXUWFJFHSA-N 1 0 396.535 3.350 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCCC[C@@H]1O ZINC000181473629 1430307028 /nfs/dbraw/zinc/30/70/28/1430307028.db2.gz QKXHTSRSYJGIIX-PBHICJAKSA-N 1 0 375.538 3.310 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181484796 1430308633 /nfs/dbraw/zinc/30/86/33/1430308633.db2.gz ALKIURKKMPGCGT-LPHOPBHVSA-N 1 0 385.556 3.115 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)ccc1Cl ZINC000181485198 1430308676 /nfs/dbraw/zinc/30/86/76/1430308676.db2.gz DLBVKEOQSSCOSS-LPHOPBHVSA-N 1 0 377.916 3.378 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(N4CCSCC4)CCCC3)CC2)cc1 ZINC000181488670 1430308942 /nfs/dbraw/zinc/30/89/42/1430308942.db2.gz HMJVZNZXNOQEGY-UHFFFAOYSA-N 1 0 398.620 3.474 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000181494101 1430310132 /nfs/dbraw/zinc/31/01/32/1430310132.db2.gz FYAFDQIFDNAOOC-UHFFFAOYSA-N 1 0 390.528 3.137 20 30 GGEDRO C[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)N1CCN(c2ccccc2)CC1 ZINC000181496225 1430310317 /nfs/dbraw/zinc/31/03/17/1430310317.db2.gz IWTVNEKQMGOABJ-WOJBJXKFSA-N 1 0 378.520 3.450 20 30 GGEDRO COc1cccc(NC(=[NH2+])NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000181494712 1430310352 /nfs/dbraw/zinc/31/03/52/1430310352.db2.gz OOAGOUCGYXKBSL-UHFFFAOYSA-N 1 0 376.501 3.459 20 30 GGEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000181546878 1430318298 /nfs/dbraw/zinc/31/82/98/1430318298.db2.gz WBUAVGIVGHEFJZ-AWEZNQCLSA-N 1 0 376.378 3.230 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CCN3CCc4sccc4C3)CC2)cc1 ZINC000181553452 1430319583 /nfs/dbraw/zinc/31/95/83/1430319583.db2.gz GZYTUNQMHIOLIB-UHFFFAOYSA-N 1 0 380.561 3.232 20 30 GGEDRO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C1CC1 ZINC000181559891 1430320412 /nfs/dbraw/zinc/32/04/12/1430320412.db2.gz WTUYLKILFNDHRQ-LJQANCHMSA-N 1 0 384.455 3.058 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000181608321 1430327108 /nfs/dbraw/zinc/32/71/08/1430327108.db2.gz HFMMMOBJOSVROS-UHFFFAOYSA-N 1 0 390.531 3.149 20 30 GGEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000181653329 1430335710 /nfs/dbraw/zinc/33/57/10/1430335710.db2.gz LGGLCCMVHAWSAV-UHFFFAOYSA-N 1 0 398.429 3.190 20 30 GGEDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000181660881 1430336856 /nfs/dbraw/zinc/33/68/56/1430336856.db2.gz LIJNCYHNMCZSQY-UHFFFAOYSA-N 1 0 392.381 3.358 20 30 GGEDRO COc1cccc2c1OC[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC000181679842 1430340736 /nfs/dbraw/zinc/34/07/36/1430340736.db2.gz CAPVOYRHZPJAKR-NRFANRHFSA-N 1 0 377.488 3.125 20 30 GGEDRO N#CCC[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000181700813 1430343879 /nfs/dbraw/zinc/34/38/79/1430343879.db2.gz IOAGDPREAIZFHV-FCHUYYIVSA-N 1 0 392.503 3.097 20 30 GGEDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181739190 1430350609 /nfs/dbraw/zinc/35/06/09/1430350609.db2.gz UXESAOVJLARYLB-KNQAVFIVSA-N 1 0 379.504 3.183 20 30 GGEDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181739234 1430350734 /nfs/dbraw/zinc/35/07/34/1430350734.db2.gz UXESAOVJLARYLB-DENIHFKCSA-N 1 0 379.504 3.183 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000181784434 1430359522 /nfs/dbraw/zinc/35/95/22/1430359522.db2.gz JWQXSOXSKBRNKT-JMUQELJHSA-N 1 0 379.504 3.123 20 30 GGEDRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181807199 1430364474 /nfs/dbraw/zinc/36/44/74/1430364474.db2.gz WQKBXXDQDNTZBH-UXHICEINSA-N 1 0 378.520 3.450 20 30 GGEDRO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000181830054 1430368979 /nfs/dbraw/zinc/36/89/79/1430368979.db2.gz YEDOBGVLAVCMAD-IBGZPJMESA-N 1 0 385.508 3.344 20 30 GGEDRO CC1(C)C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000181833812 1430369535 /nfs/dbraw/zinc/36/95/35/1430369535.db2.gz OLKPYYINBJXGQO-LJQANCHMSA-N 1 0 384.524 3.122 20 30 GGEDRO CC1(C)C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000181833790 1430369566 /nfs/dbraw/zinc/36/95/66/1430369566.db2.gz OLKPYYINBJXGQO-IBGZPJMESA-N 1 0 384.524 3.122 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3ncccc3F)C2)c(-c2ccccc2)n1 ZINC000181990065 1430392695 /nfs/dbraw/zinc/39/26/95/1430392695.db2.gz GTJKXLCIQWVNKR-IBGZPJMESA-N 1 0 390.466 3.366 20 30 GGEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000181995757 1430393482 /nfs/dbraw/zinc/39/34/82/1430393482.db2.gz PQSIVFDKECQQBR-FDDCHVKYSA-N 1 0 388.515 3.306 20 30 GGEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182018049 1430397327 /nfs/dbraw/zinc/39/73/27/1430397327.db2.gz CUQAGNGOPXOWJD-OAHLLOKOSA-N 1 0 385.439 3.067 20 30 GGEDRO COc1cc(/C=C/C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)ccc1OCC#N ZINC000182073245 1430406293 /nfs/dbraw/zinc/40/62/93/1430406293.db2.gz RDWQGQFJKAICAY-NCUBBLFSSA-N 1 0 393.487 3.247 20 30 GGEDRO C[NH+](C)C1CCN(CCNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000182126185 1430416474 /nfs/dbraw/zinc/41/64/74/1430416474.db2.gz HQQXDUNVAPABMF-UHFFFAOYSA-N 1 0 392.503 3.106 20 30 GGEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182296275 1430444378 /nfs/dbraw/zinc/44/43/78/1430444378.db2.gz BYXLDSMTCPNMMU-OAQYLSRUSA-N 1 0 386.499 3.222 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(Cl)cc1 ZINC000182308325 1430446012 /nfs/dbraw/zinc/44/60/12/1430446012.db2.gz CSSZKMITPJXPKU-RTBURBONSA-N 1 0 376.932 3.073 20 30 GGEDRO CN(C)C(=O)COc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182318343 1430447669 /nfs/dbraw/zinc/44/76/69/1430447669.db2.gz ZWFKFYPSHSMCPZ-UHFFFAOYSA-N 1 0 392.503 3.102 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)COc3ccccc3C#N)cc2)CC1 ZINC000182369820 1430454302 /nfs/dbraw/zinc/45/43/02/1430454302.db2.gz VTARHYSZJLTNQG-UHFFFAOYSA-N 1 0 378.476 3.106 20 30 GGEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000182434223 1430467266 /nfs/dbraw/zinc/46/72/66/1430467266.db2.gz QDPRNWFNCOHUOS-YJBOKZPZSA-N 1 0 396.457 3.048 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000182516905 1430481915 /nfs/dbraw/zinc/48/19/15/1430481915.db2.gz BQFBCLOTKUZWCG-INIZCTEOSA-N 1 0 399.461 3.289 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182543634 1430487366 /nfs/dbraw/zinc/48/73/66/1430487366.db2.gz SKQKKFKCJMLHFO-NRFANRHFSA-N 1 0 396.535 3.024 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182566580 1430493549 /nfs/dbraw/zinc/49/35/49/1430493549.db2.gz QNJUREPGLHRBDZ-KRWDZBQOSA-N 1 0 378.476 3.352 20 30 GGEDRO CCCCN(C)C(=O)C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182664151 1430512847 /nfs/dbraw/zinc/51/28/47/1430512847.db2.gz YWAKIHBTVAKEQZ-NRFANRHFSA-N 1 0 396.535 3.024 20 30 GGEDRO CS(=O)(=O)Nc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182712910 1430524610 /nfs/dbraw/zinc/52/46/10/1430524610.db2.gz NUHJBOXYKYVQQM-UHFFFAOYSA-N 1 0 384.505 3.006 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCc3c(cccc3OC)C2)c(OC)c1 ZINC000182715970 1430525537 /nfs/dbraw/zinc/52/55/37/1430525537.db2.gz ZXNDQLPFHZYXLR-LJQANCHMSA-N 1 0 383.488 3.230 20 30 GGEDRO CC[NH+](CC)CCCC1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000182751346 1430533173 /nfs/dbraw/zinc/53/31/73/1430533173.db2.gz ONQCMJONPIITEM-UHFFFAOYSA-N 1 0 391.581 3.166 20 30 GGEDRO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182770118 1430536840 /nfs/dbraw/zinc/53/68/40/1430536840.db2.gz PLPNAYQTGMDAOT-PXNSSMCTSA-N 1 0 394.544 3.076 20 30 GGEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182776143 1430537803 /nfs/dbraw/zinc/53/78/03/1430537803.db2.gz KOBJGSJMDHKZLD-OAHLLOKOSA-N 1 0 398.438 3.299 20 30 GGEDRO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822902 1430547164 /nfs/dbraw/zinc/54/71/64/1430547164.db2.gz OXGXMXGTEZCULT-MJGOQNOKSA-N 1 0 396.535 3.436 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182833453 1430549630 /nfs/dbraw/zinc/54/96/30/1430549630.db2.gz VMIFTOBSDFEVMN-INIZCTEOSA-N 1 0 391.397 3.439 20 30 GGEDRO N#Cc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000182882006 1430561256 /nfs/dbraw/zinc/56/12/56/1430561256.db2.gz JTTXICUQFXUXJZ-LJQANCHMSA-N 1 0 398.894 3.490 20 30 GGEDRO C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182926433 1430573666 /nfs/dbraw/zinc/57/36/66/1430573666.db2.gz GQOHVFKDXJSMJU-ICSRJNTNSA-N 1 0 395.551 3.043 20 30 GGEDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000183005447 1430590462 /nfs/dbraw/zinc/59/04/62/1430590462.db2.gz AXPNVHWICCZTFB-MGPUTAFESA-N 1 0 394.450 3.282 20 30 GGEDRO CCCCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O ZINC000183044999 1430599344 /nfs/dbraw/zinc/59/93/44/1430599344.db2.gz BAGKXBLEWNCPTM-UHFFFAOYSA-N 1 0 390.553 3.195 20 30 GGEDRO CN(C)C(=O)COc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000183047494 1430599740 /nfs/dbraw/zinc/59/97/40/1430599740.db2.gz ZIQHCLKXEFTFLP-UHFFFAOYSA-N 1 0 392.503 3.102 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000183103491 1430613717 /nfs/dbraw/zinc/61/37/17/1430613717.db2.gz GNQDGSGSEPTGNX-SFHVURJKSA-N 1 0 378.476 3.128 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000183102412 1430613907 /nfs/dbraw/zinc/61/39/07/1430613907.db2.gz XNGGNCZFDGAARS-QGZVFWFLSA-N 1 0 393.487 3.434 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183175875 1430639583 /nfs/dbraw/zinc/63/95/83/1430639583.db2.gz KQDZEQJAFFORMY-UHFFFAOYSA-N 1 0 391.397 3.439 20 30 GGEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)ccc1OC ZINC000183257287 1430661507 /nfs/dbraw/zinc/66/15/07/1430661507.db2.gz MYLMYWSDXWYLAW-MRXNPFEDSA-N 1 0 385.430 3.492 20 30 GGEDRO COc1cc(F)c([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1OC ZINC000183457003 1430716484 /nfs/dbraw/zinc/71/64/84/1430716484.db2.gz LKIJPLYPYYOYMO-LLVKDONJSA-N 1 0 377.441 3.455 20 30 GGEDRO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C1CC1 ZINC000183483254 1430723656 /nfs/dbraw/zinc/72/36/56/1430723656.db2.gz FHVXNJBGCBPPCO-HXUWFJFHSA-N 1 0 392.503 3.181 20 30 GGEDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183519901 1430733812 /nfs/dbraw/zinc/73/38/12/1430733812.db2.gz KQURMTHQFQLLDT-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000183662976 1430766690 /nfs/dbraw/zinc/76/66/90/1430766690.db2.gz RNXRDMHAJDFVGW-RDJZCZTQSA-N 1 0 395.956 3.487 20 30 GGEDRO O=C(C[NH2+][C@@H](CCO)C1CCCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000183707803 1430778344 /nfs/dbraw/zinc/77/83/44/1430778344.db2.gz GHMMNUUIAMTMGM-IBGZPJMESA-N 1 0 396.453 3.094 20 30 GGEDRO CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183762656 1430788298 /nfs/dbraw/zinc/78/82/98/1430788298.db2.gz YKLYVHHIPLXKST-LJQANCHMSA-N 1 0 380.492 3.303 20 30 GGEDRO Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c(C)o1 ZINC000183806833 1430798759 /nfs/dbraw/zinc/79/87/59/1430798759.db2.gz WNAIDZYVKHFRCA-QAPCUYQASA-N 1 0 386.521 3.018 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183850895 1430804948 /nfs/dbraw/zinc/80/49/48/1430804948.db2.gz KDKPHWLQBWUHBD-OALUTQOASA-N 1 0 385.508 3.105 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2cc(C#N)ccc2[N+](=O)[O-])cc1 ZINC000183882693 1430808588 /nfs/dbraw/zinc/80/85/88/1430808588.db2.gz XSDVPLGLDDGOKB-UHFFFAOYSA-N 1 0 382.420 3.330 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183885922 1430808801 /nfs/dbraw/zinc/80/88/01/1430808801.db2.gz UIBWMBXNUHAVDE-IBGZPJMESA-N 1 0 385.508 3.025 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1C ZINC000183894889 1430809826 /nfs/dbraw/zinc/80/98/26/1430809826.db2.gz QEPPQZHJXKLPOU-IBGZPJMESA-N 1 0 385.508 3.025 20 30 GGEDRO C[NH+]1CCN(c2ncccc2CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000183979725 1430822419 /nfs/dbraw/zinc/82/24/19/1430822419.db2.gz ZVTRYJQRQDGOBA-UHFFFAOYSA-N 1 0 375.398 3.336 20 30 GGEDRO COc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000184223869 1430858627 /nfs/dbraw/zinc/85/86/27/1430858627.db2.gz CYDTVVVDPJWTEI-UHFFFAOYSA-N 1 0 398.438 3.322 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000184294291 1430869561 /nfs/dbraw/zinc/86/95/61/1430869561.db2.gz QPJXUFWBVFTQDL-MRXNPFEDSA-N 1 0 379.464 3.411 20 30 GGEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000184297199 1430870020 /nfs/dbraw/zinc/87/00/20/1430870020.db2.gz JQYXYJANNLPUSM-SFHVURJKSA-N 1 0 392.503 3.106 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184321580 1430872908 /nfs/dbraw/zinc/87/29/08/1430872908.db2.gz HNSUYOJEJFQHDW-SJORKVTESA-N 1 0 389.569 3.086 20 30 GGEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000184324073 1430873267 /nfs/dbraw/zinc/87/32/67/1430873267.db2.gz NOXDEKDITAALFN-IAGOWNOFSA-N 1 0 389.569 3.228 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184336304 1430874627 /nfs/dbraw/zinc/87/46/27/1430874627.db2.gz VDKHCXWDCYEZCJ-UHFFFAOYSA-N 1 0 391.924 3.484 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(O)(c2ccccc2)CC1)C(C)C ZINC000184350076 1430876573 /nfs/dbraw/zinc/87/65/73/1430876573.db2.gz QZKHFAIWLPSPIV-NRFANRHFSA-N 1 0 385.552 3.378 20 30 GGEDRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000184401389 1430883405 /nfs/dbraw/zinc/88/34/05/1430883405.db2.gz LDTQDKRGISACMF-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000184419051 1430885555 /nfs/dbraw/zinc/88/55/55/1430885555.db2.gz FVFABAVMRKVOSA-HXUWFJFHSA-N 1 0 393.487 3.434 20 30 GGEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000184513809 1430897002 /nfs/dbraw/zinc/89/70/02/1430897002.db2.gz GPKUMFDZWFBWSZ-NSHDSACASA-N 1 0 392.912 3.434 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000184599025 1430914998 /nfs/dbraw/zinc/91/49/98/1430914998.db2.gz OWWVBIGIMAHVAK-QGZVFWFLSA-N 1 0 396.491 3.225 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CCSC)c1nnc2ccccn21 ZINC000184607455 1430917902 /nfs/dbraw/zinc/91/79/02/1430917902.db2.gz RLLXEPFNPDKZSP-INIZCTEOSA-N 1 0 397.504 3.072 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184614009 1430919652 /nfs/dbraw/zinc/91/96/52/1430919652.db2.gz AZJCVCGNRVJUTI-IBGZPJMESA-N 1 0 382.464 3.008 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000184618201 1430921199 /nfs/dbraw/zinc/92/11/99/1430921199.db2.gz FHBAOYOLPQLGTJ-SFHVURJKSA-N 1 0 376.501 3.071 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000184622710 1430922279 /nfs/dbraw/zinc/92/22/79/1430922279.db2.gz SQMIVHOLKPKZIR-INIZCTEOSA-N 1 0 388.493 3.069 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000184623306 1430922676 /nfs/dbraw/zinc/92/26/76/1430922676.db2.gz VUXDLXYDMGZSTC-QGZVFWFLSA-N 1 0 388.512 3.217 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCCc2cn(C)c3cc(F)ccc23)cc1OC ZINC000184652955 1430931134 /nfs/dbraw/zinc/93/11/34/1430931134.db2.gz CSTKRHPMWWSVJP-UHFFFAOYSA-N 1 0 398.482 3.024 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)NC1(C#N)CCCCC1 ZINC000184753393 1430966621 /nfs/dbraw/zinc/96/66/21/1430966621.db2.gz NZAIJHDKZSRLBG-OALUTQOASA-N 1 0 382.552 3.075 20 30 GGEDRO Cc1nc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)ccc1C#N ZINC000184834925 1430997491 /nfs/dbraw/zinc/99/74/91/1430997491.db2.gz NFFJSYHUPPVYLQ-QGZVFWFLSA-N 1 0 376.382 3.313 20 30 GGEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000184844563 1431001008 /nfs/dbraw/zinc/00/10/08/1431001008.db2.gz DFYRDOXYDSNMMQ-QFIPXVFZSA-N 1 0 379.504 3.404 20 30 GGEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000184879012 1431010431 /nfs/dbraw/zinc/01/04/31/1431010431.db2.gz XXSMLIXTHUOYBA-UHFFFAOYSA-N 1 0 377.444 3.327 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000185300654 1431105344 /nfs/dbraw/zinc/10/53/44/1431105344.db2.gz SOWBHFCZULIHIL-QGZVFWFLSA-N 1 0 384.501 3.089 20 30 GGEDRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)c2ccc(F)cc2)cn1 ZINC000185411752 1431138882 /nfs/dbraw/zinc/13/88/82/1431138882.db2.gz NKIZJLUJHOPUNK-NRFANRHFSA-N 1 0 377.423 3.139 20 30 GGEDRO COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000185412189 1431139187 /nfs/dbraw/zinc/13/91/87/1431139187.db2.gz FBTSKZXCAWXLAI-UHFFFAOYSA-N 1 0 399.516 3.031 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185416408 1431140768 /nfs/dbraw/zinc/14/07/68/1431140768.db2.gz CIWBBQNVISIBHO-GGAORHGYSA-N 1 0 395.478 3.407 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(O)(c3ccccc3)CC1)CCC2 ZINC000185492272 1431156890 /nfs/dbraw/zinc/15/68/90/1431156890.db2.gz GSHZRZGVOVPUKR-UHFFFAOYSA-N 1 0 395.528 3.421 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000185592347 1431178579 /nfs/dbraw/zinc/17/85/79/1431178579.db2.gz RVURYXAEVHNTII-OAQYLSRUSA-N 1 0 392.503 3.078 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000185592328 1431178714 /nfs/dbraw/zinc/17/87/14/1431178714.db2.gz RVURYXAEVHNTII-NRFANRHFSA-N 1 0 392.503 3.078 20 30 GGEDRO CC[C@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000185605828 1431182017 /nfs/dbraw/zinc/18/20/17/1431182017.db2.gz HGSFVIJHUIPCPL-NRFANRHFSA-N 1 0 392.503 3.395 20 30 GGEDRO COc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000185650036 1431195836 /nfs/dbraw/zinc/19/58/36/1431195836.db2.gz ORJDUHNRFZREFV-INIZCTEOSA-N 1 0 399.516 3.071 20 30 GGEDRO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185687841 1431206603 /nfs/dbraw/zinc/20/66/03/1431206603.db2.gz IKXPFPREJJVTAA-LQBOVUBWSA-N 1 0 380.536 3.296 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](OC(C)C)c2ccccc2OC)CC1 ZINC000185734764 1431219186 /nfs/dbraw/zinc/21/91/86/1431219186.db2.gz FFUKVNBNKQCNDI-FQEVSTJZSA-N 1 0 375.513 3.111 20 30 GGEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000185755888 1431226286 /nfs/dbraw/zinc/22/62/86/1431226286.db2.gz YXUBLTLUYUAPFA-UHFFFAOYSA-N 1 0 394.523 3.101 20 30 GGEDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1)CC2 ZINC000185825178 1431245158 /nfs/dbraw/zinc/24/51/58/1431245158.db2.gz UXMGGHIAHNMZHU-VQIMIIECSA-N 1 0 385.508 3.041 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000185829265 1431245499 /nfs/dbraw/zinc/24/54/99/1431245499.db2.gz DQMUFRASZWPDAO-QFBILLFUSA-N 1 0 381.467 3.334 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000185829304 1431245844 /nfs/dbraw/zinc/24/58/44/1431245844.db2.gz DQMUFRASZWPDAO-VQIMIIECSA-N 1 0 381.467 3.334 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000185844931 1431249509 /nfs/dbraw/zinc/24/95/09/1431249509.db2.gz NZRXVMCVTDDVTJ-IBGZPJMESA-N 1 0 394.510 3.297 20 30 GGEDRO Cc1c(-c2cc(CO[NH+]=C(N)c3ccc(N4CCCCC4)cc3)on2)cnn1C ZINC000186164344 1431345063 /nfs/dbraw/zinc/34/50/63/1431345063.db2.gz QLIGYGSCNPQXBH-UHFFFAOYSA-N 1 0 394.479 3.211 20 30 GGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000186192387 1431350055 /nfs/dbraw/zinc/35/00/55/1431350055.db2.gz QTJCJHXLRWPINA-QFIPXVFZSA-N 1 0 389.547 3.296 20 30 GGEDRO CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000186219325 1431355337 /nfs/dbraw/zinc/35/53/37/1431355337.db2.gz LDFNUVXBQRPTSL-LEWJYISDSA-N 1 0 386.540 3.225 20 30 GGEDRO CCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186319887 1431381190 /nfs/dbraw/zinc/38/11/90/1431381190.db2.gz PGHLEXQYXRJTCX-OAQYLSRUSA-N 1 0 377.488 3.254 20 30 GGEDRO CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186322692 1431382298 /nfs/dbraw/zinc/38/22/98/1431382298.db2.gz MUDBKZULJUGXGF-OAQYLSRUSA-N 1 0 377.488 3.254 20 30 GGEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000186365492 1431392803 /nfs/dbraw/zinc/39/28/03/1431392803.db2.gz HPFJMZXPCVFXGD-OALUTQOASA-N 1 0 396.453 3.356 20 30 GGEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ncccc1OCCCC#N ZINC000186449392 1431422518 /nfs/dbraw/zinc/42/25/18/1431422518.db2.gz QDCAEPXDOYFTHI-UHFFFAOYSA-N 1 0 381.480 3.360 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC000186480105 1431431523 /nfs/dbraw/zinc/43/15/23/1431431523.db2.gz UUDDIIDKSZJRMX-UHFFFAOYSA-N 1 0 385.414 3.149 20 30 GGEDRO COc1ccc2c(c1)nc(C[NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)n2C ZINC000186532300 1431447815 /nfs/dbraw/zinc/44/78/15/1431447815.db2.gz OTEOWBUPKQXAHB-UHFFFAOYSA-N 1 0 389.503 3.208 20 30 GGEDRO N#CCCn1ccc(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)n1 ZINC000186585735 1431461140 /nfs/dbraw/zinc/46/11/40/1431461140.db2.gz WNTUNERNJVEQPW-UHFFFAOYSA-N 1 0 384.509 3.032 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000186681095 1431490961 /nfs/dbraw/zinc/49/09/61/1431490961.db2.gz MRZGAZJFEKUCHW-KBXCAEBGSA-N 1 0 381.467 3.069 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2coc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000186688606 1431492427 /nfs/dbraw/zinc/49/24/27/1431492427.db2.gz XNJGCWHVWXNQHY-UHFFFAOYSA-N 1 0 377.485 3.075 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186812009 1431524132 /nfs/dbraw/zinc/52/41/32/1431524132.db2.gz ZUULXKIVRPECGW-GOSISDBHSA-N 1 0 387.549 3.228 20 30 GGEDRO N#Cc1ccc(C2(C(=O)NCC3([NH+]4CCSCC4)CCCCC3)CC2)cc1 ZINC000186849027 1431539036 /nfs/dbraw/zinc/53/90/36/1431539036.db2.gz QDMKNHFHWBXDRQ-UHFFFAOYSA-N 1 0 383.561 3.458 20 30 GGEDRO C[C@](O)(CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000186891615 1431556500 /nfs/dbraw/zinc/55/65/00/1431556500.db2.gz VWGIHUXZMOTVTH-SFHVURJKSA-N 1 0 381.398 3.287 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186920360 1431566142 /nfs/dbraw/zinc/56/61/42/1431566142.db2.gz WONKBINEDYXKAG-UHFFFAOYSA-N 1 0 381.451 3.096 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186924682 1431567580 /nfs/dbraw/zinc/56/75/80/1431567580.db2.gz CQXGOEIOVGMBIN-UHFFFAOYSA-N 1 0 381.451 3.096 20 30 GGEDRO CNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000186959432 1431577088 /nfs/dbraw/zinc/57/70/88/1431577088.db2.gz LQPBVEKTYGWDEJ-UHFFFAOYSA-O 1 0 380.493 3.328 20 30 GGEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1cccc(CO)c1 ZINC000186973979 1431580577 /nfs/dbraw/zinc/58/05/77/1431580577.db2.gz INNNOIWCOOGPQK-UHFFFAOYSA-O 1 0 399.536 3.118 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC1(O)CCCCCC1 ZINC000187342832 1431702784 /nfs/dbraw/zinc/70/27/84/1431702784.db2.gz KJTKZIHCBINMPD-UHFFFAOYSA-N 1 0 375.538 3.454 20 30 GGEDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000187523228 1431756094 /nfs/dbraw/zinc/75/60/94/1431756094.db2.gz GCBMRIWATDXVSA-FQEVSTJZSA-N 1 0 375.538 3.312 20 30 GGEDRO CC[C@@]1(CO)CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000187618943 1431780375 /nfs/dbraw/zinc/78/03/75/1431780375.db2.gz PWUGJSYZCXAAHV-HXUWFJFHSA-N 1 0 375.538 3.312 20 30 GGEDRO C=CCn1c2nnc(SCCC[NH+]3CCCCC3)n2c2ccccc2c1=O ZINC000187649525 1431788010 /nfs/dbraw/zinc/78/80/10/1431788010.db2.gz YNMPHDKUGCJJNI-UHFFFAOYSA-N 1 0 383.521 3.198 20 30 GGEDRO C[NH+]1CCN(c2ccc(NCc3cccn3Cc3ccccc3C#N)nc2)CC1 ZINC000187694797 1431801178 /nfs/dbraw/zinc/80/11/78/1431801178.db2.gz HKTSDZLCINUJIP-UHFFFAOYSA-N 1 0 386.503 3.167 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)C1CC1 ZINC000187780119 1431811626 /nfs/dbraw/zinc/81/16/26/1431811626.db2.gz QNRUDBBEGUFXDU-JOCHJYFZSA-N 1 0 392.503 3.299 20 30 GGEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCC[N@@H+]3CCCOCC3)cc2)cc1 ZINC000187916919 1431826878 /nfs/dbraw/zinc/82/68/78/1431826878.db2.gz WKGPSDJGGSOBHQ-UHFFFAOYSA-N 1 0 380.448 3.194 20 30 GGEDRO C=C(C)[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000188001550 1431835298 /nfs/dbraw/zinc/83/52/98/1431835298.db2.gz NIXGUYFEOJJEKP-MGPUTAFESA-N 1 0 393.478 3.382 20 30 GGEDRO C#CCOc1ccccc1NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000188066164 1431841681 /nfs/dbraw/zinc/84/16/81/1431841681.db2.gz LPOKKNMRMRXDQC-ROUUACIJSA-N 1 0 385.508 3.052 20 30 GGEDRO C=C[C@H](CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000188157108 1431854098 /nfs/dbraw/zinc/85/40/98/1431854098.db2.gz SLWPBHNHKDHAHX-ZJSXRUAMSA-N 1 0 378.516 3.442 20 30 GGEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C[C@@H](C)O1 ZINC000188176577 1431857105 /nfs/dbraw/zinc/85/71/05/1431857105.db2.gz UNUVTOPZDXXLGY-RTBURBONSA-N 1 0 395.547 3.328 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cccc(F)c1C#N)c1ccccc1O2 ZINC000188222336 1431862585 /nfs/dbraw/zinc/86/25/85/1431862585.db2.gz MESQLVOGULLRLR-LJQANCHMSA-N 1 0 379.435 3.415 20 30 GGEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nc2sccc2c1=O ZINC000188231061 1431864012 /nfs/dbraw/zinc/86/40/12/1431864012.db2.gz NKLTXIYHHIUWBR-UHFFFAOYSA-N 1 0 392.594 3.152 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(CCOCC(F)(F)C(F)(F)F)CC2)cc1 ZINC000188563095 1431895479 /nfs/dbraw/zinc/89/54/79/1431895479.db2.gz LLGHGYRZRFVIHI-UHFFFAOYSA-N 1 0 391.384 3.280 20 30 GGEDRO C[C@H](c1nnnn1C1CCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000188563315 1431895551 /nfs/dbraw/zinc/89/55/51/1431895551.db2.gz IZYOERDRMUJYJN-GOSISDBHSA-N 1 0 393.539 3.319 20 30 GGEDRO C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000188661617 1431923822 /nfs/dbraw/zinc/92/38/22/1431923822.db2.gz KAAHEGHYTATJQT-KRWDZBQOSA-N 1 0 393.487 3.268 20 30 GGEDRO C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000188661595 1431924597 /nfs/dbraw/zinc/92/45/97/1431924597.db2.gz KAAHEGHYTATJQT-QGZVFWFLSA-N 1 0 393.487 3.268 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000188707803 1431940576 /nfs/dbraw/zinc/94/05/76/1431940576.db2.gz RRBVMUFRHFAIFK-SJLPKXTDSA-N 1 0 383.496 3.245 20 30 GGEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188752413 1431958047 /nfs/dbraw/zinc/95/80/47/1431958047.db2.gz GBNSNQCOZNCJJM-MRXNPFEDSA-N 1 0 394.475 3.136 20 30 GGEDRO C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+]1CC(C)(C)O ZINC000188753882 1431959319 /nfs/dbraw/zinc/95/93/19/1431959319.db2.gz MCLTWKHJMGNBEK-QGZVFWFLSA-N 1 0 393.487 3.268 20 30 GGEDRO C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+]1CC(C)(C)O ZINC000188753904 1431959732 /nfs/dbraw/zinc/95/97/32/1431959732.db2.gz MCLTWKHJMGNBEK-KRWDZBQOSA-N 1 0 393.487 3.268 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)Nc1ncccc1OCCCC#N)c1ccc(F)cc1 ZINC000188773574 1431968741 /nfs/dbraw/zinc/96/87/41/1431968741.db2.gz OYGQWDUVWRAEQZ-QGZVFWFLSA-N 1 0 385.443 3.328 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(F)c3C#N)cc2)C[C@H](C)O1 ZINC000188999865 1432024673 /nfs/dbraw/zinc/02/46/73/1432024673.db2.gz UQYAJCBODUMHIE-HOTGVXAUSA-N 1 0 381.451 3.237 20 30 GGEDRO C[C@@H]1C[NH+](CCCCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000189063351 1432037867 /nfs/dbraw/zinc/03/78/67/1432037867.db2.gz VXPFIHXUSXEKIS-HZPDHXFCSA-N 1 0 382.426 3.063 20 30 GGEDRO C=C(C)CN1CCC([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000189169422 1432057055 /nfs/dbraw/zinc/05/70/55/1432057055.db2.gz YZSNBWFXJIONFR-UHFFFAOYSA-N 1 0 381.520 3.224 20 30 GGEDRO NC(=NOCCOCC(F)(F)C(F)F)c1cccc(C[NH+]2CCCCC2)c1 ZINC000189258621 1432072941 /nfs/dbraw/zinc/07/29/41/1432072941.db2.gz CZWSCELFHRRHLC-UHFFFAOYSA-N 1 0 391.409 3.226 20 30 GGEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C)cc3C[NH+](C)C)CC2)o1 ZINC000189383962 1432096836 /nfs/dbraw/zinc/09/68/36/1432096836.db2.gz RSXWQPVQWUAHGO-UHFFFAOYSA-N 1 0 381.480 3.080 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000189394824 1432098442 /nfs/dbraw/zinc/09/84/42/1432098442.db2.gz BKJPZWAARLNUKZ-LJQANCHMSA-N 1 0 385.508 3.057 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000189404893 1432099746 /nfs/dbraw/zinc/09/97/46/1432099746.db2.gz XZAUXCCUYANHJJ-UHFFFAOYSA-N 1 0 385.430 3.376 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H](O)C(F)(F)F ZINC000189432333 1432108714 /nfs/dbraw/zinc/10/87/14/1432108714.db2.gz DXIMJDRNFXDTQK-AWEZNQCLSA-N 1 0 389.443 3.072 20 30 GGEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000189564116 1432160491 /nfs/dbraw/zinc/16/04/91/1432160491.db2.gz VPDDZFXTKYEVKF-UWJYYQICSA-N 1 0 390.487 3.008 20 30 GGEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000189564065 1432160646 /nfs/dbraw/zinc/16/06/46/1432160646.db2.gz VPDDZFXTKYEVKF-LAUBAEHRSA-N 1 0 390.487 3.008 20 30 GGEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000189565079 1432160870 /nfs/dbraw/zinc/16/08/70/1432160870.db2.gz WQTILRHGWQWOJW-LAUBAEHRSA-N 1 0 390.487 3.008 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000189564611 1432160889 /nfs/dbraw/zinc/16/08/89/1432160889.db2.gz QLWJHJJWFKQZAA-PGRDOPGGSA-N 1 0 389.499 3.118 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2-c2csc(C)c2)CC1 ZINC000189580067 1432165938 /nfs/dbraw/zinc/16/59/38/1432165938.db2.gz VUYQWKDWHJHLRO-UHFFFAOYSA-N 1 0 398.532 3.214 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CC1 ZINC000189603073 1432172604 /nfs/dbraw/zinc/17/26/04/1432172604.db2.gz FFXSNZUGHBCRDU-UHFFFAOYSA-N 1 0 391.878 3.496 20 30 GGEDRO CC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000189689347 1432205199 /nfs/dbraw/zinc/20/51/99/1432205199.db2.gz JUDMXQWFKPHGMA-FQEVSTJZSA-N 1 0 375.538 3.454 20 30 GGEDRO C[C@H](C1CC1)n1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000189811519 1432242253 /nfs/dbraw/zinc/24/22/53/1432242253.db2.gz ZCRIFAHLSDIPRE-MRXNPFEDSA-N 1 0 380.496 3.321 20 30 GGEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000189829559 1432247282 /nfs/dbraw/zinc/24/72/82/1432247282.db2.gz WTJQATWLXWFWGW-UHFFFAOYSA-N 1 0 394.475 3.089 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1ccc(C#N)cc1 ZINC000189955787 1432288309 /nfs/dbraw/zinc/28/83/09/1432288309.db2.gz UBRAWHZNRSZMKE-ROUUACIJSA-N 1 0 376.504 3.243 20 30 GGEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@]1(CO)C[C@@H](OCC)C1(C)C ZINC000189979454 1432296102 /nfs/dbraw/zinc/29/61/02/1432296102.db2.gz YFQUBZKBWPUEJN-XLIONFOSSA-N 1 0 378.538 3.059 20 30 GGEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@]1(CO)C[C@@H](OCC)C1(C)C ZINC000189979503 1432296414 /nfs/dbraw/zinc/29/64/14/1432296414.db2.gz YFQUBZKBWPUEJN-YLJYHZDGSA-N 1 0 378.538 3.059 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@@H]1c1nc(C)cs1)C(C)C ZINC000190069787 1432313826 /nfs/dbraw/zinc/31/38/26/1432313826.db2.gz ZLEXGEWQMKXHCK-QZTJIDSGSA-N 1 0 392.569 3.233 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCOC[C@@H]1c1nc(C)cs1)C(C)C ZINC000190069753 1432314095 /nfs/dbraw/zinc/31/40/95/1432314095.db2.gz ZLEXGEWQMKXHCK-ZWKOTPCHSA-N 1 0 392.569 3.233 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190144491 1432327718 /nfs/dbraw/zinc/32/77/18/1432327718.db2.gz BJFQHCDYDYEVTC-NRFANRHFSA-N 1 0 377.488 3.274 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000190187358 1432336685 /nfs/dbraw/zinc/33/66/85/1432336685.db2.gz NCYWCHGUTLZDNM-CVEARBPZSA-N 1 0 390.553 3.390 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190222761 1432343814 /nfs/dbraw/zinc/34/38/14/1432343814.db2.gz KDYLRKUBZNUIKH-NRFANRHFSA-N 1 0 377.488 3.274 20 30 GGEDRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(CCC#N)CC3CC3)c2C1 ZINC000190255785 1432349683 /nfs/dbraw/zinc/34/96/83/1432349683.db2.gz YHBMFDWJXFOBCD-MRXNPFEDSA-N 1 0 382.508 3.137 20 30 GGEDRO CN(CCC#N)c1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000190313912 1432358806 /nfs/dbraw/zinc/35/88/06/1432358806.db2.gz NZJWABHXVKGPGI-XMMPIXPASA-N 1 0 392.547 3.105 20 30 GGEDRO C[C@H](C#N)Oc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000190319305 1432360435 /nfs/dbraw/zinc/36/04/35/1432360435.db2.gz UWDQKHUBQSNZSE-AUSIDOKSSA-N 1 0 379.504 3.046 20 30 GGEDRO CC[NH+](CC)Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 ZINC000190535964 1432399596 /nfs/dbraw/zinc/39/95/96/1432399596.db2.gz MNJBFCAMSULAAO-UHFFFAOYSA-N 1 0 380.492 3.277 20 30 GGEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190603612 1432417470 /nfs/dbraw/zinc/41/74/70/1432417470.db2.gz HGXRUOFXPIBFHX-YADHBBJMSA-N 1 0 375.472 3.335 20 30 GGEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1C(C)(C)C ZINC000190605756 1432418380 /nfs/dbraw/zinc/41/83/80/1432418380.db2.gz NAVPOAMBJIYMGY-FOIQADDNSA-N 1 0 379.508 3.270 20 30 GGEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1C(C)(C)C ZINC000190605772 1432418612 /nfs/dbraw/zinc/41/86/12/1432418612.db2.gz NAVPOAMBJIYMGY-MGPUTAFESA-N 1 0 379.508 3.270 20 30 GGEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190611636 1432419954 /nfs/dbraw/zinc/41/99/54/1432419954.db2.gz VPELCLYYGWTHGG-JXFKEZNVSA-N 1 0 392.459 3.178 20 30 GGEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190611653 1432420254 /nfs/dbraw/zinc/42/02/54/1432420254.db2.gz VPELCLYYGWTHGG-UZLBHIALSA-N 1 0 392.459 3.178 20 30 GGEDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000190623695 1432423112 /nfs/dbraw/zinc/42/31/12/1432423112.db2.gz OEZQSPXDKIGQIR-BEFAXECRSA-N 1 0 378.432 3.227 20 30 GGEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000190623654 1432423304 /nfs/dbraw/zinc/42/33/04/1432423304.db2.gz OEZQSPXDKIGQIR-DNVCBOLYSA-N 1 0 378.432 3.227 20 30 GGEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190622577 1432423422 /nfs/dbraw/zinc/42/34/22/1432423422.db2.gz KJHKDXAYPGIQOZ-HYFFOGBASA-N 1 0 377.488 3.450 20 30 GGEDRO COCc1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC ZINC000190624140 1432423604 /nfs/dbraw/zinc/42/36/04/1432423604.db2.gz OWHBSFUNTAVREK-HRAATJIYSA-N 1 0 393.487 3.165 20 30 GGEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C12CCCCC2 ZINC000190625442 1432424426 /nfs/dbraw/zinc/42/44/26/1432424426.db2.gz LFHIOGVJDZCNDO-NJDAHSKKSA-N 1 0 381.520 3.377 20 30 GGEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190629674 1432425590 /nfs/dbraw/zinc/42/55/90/1432425590.db2.gz AOEAQACSKZTWJA-HNAYVOBHSA-N 1 0 379.460 3.027 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000190631932 1432426733 /nfs/dbraw/zinc/42/67/33/1432426733.db2.gz MDAHNUCBGZOVFD-FOIQADDNSA-N 1 0 379.460 3.027 20 30 GGEDRO C=CCN(CCOC)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000190699520 1432446031 /nfs/dbraw/zinc/44/60/31/1432446031.db2.gz HRPQZELBDUSYJT-UHFFFAOYSA-N 1 0 387.524 3.051 20 30 GGEDRO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F ZINC000190837837 1432501504 /nfs/dbraw/zinc/50/15/04/1432501504.db2.gz XIJPGOGRGPISMX-KKSFZXQISA-N 1 0 395.478 3.275 20 30 GGEDRO Cn1cc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1C#N ZINC000190915375 1432528458 /nfs/dbraw/zinc/52/84/58/1432528458.db2.gz DCCUOFXEFRUBAK-LJQANCHMSA-N 1 0 392.425 3.079 20 30 GGEDRO C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190967756 1432540001 /nfs/dbraw/zinc/54/00/01/1432540001.db2.gz USXBFPFKKABWQQ-HXUWFJFHSA-N 1 0 380.488 3.272 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000190973063 1432541195 /nfs/dbraw/zinc/54/11/95/1432541195.db2.gz QKXXXWFPKVBUOZ-FQEVSTJZSA-N 1 0 378.476 3.145 20 30 GGEDRO C=CCN(CCOC)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000191102443 1432568674 /nfs/dbraw/zinc/56/86/74/1432568674.db2.gz RGDWAGHGNWQMCA-CYBMUJFWSA-N 1 0 390.465 3.180 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)c(O)c1 ZINC000191161493 1432579230 /nfs/dbraw/zinc/57/92/30/1432579230.db2.gz PBRJEEJDFPDNSO-UHFFFAOYSA-N 1 0 391.393 3.487 20 30 GGEDRO Cn1cc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1C#N ZINC000191315551 1432630065 /nfs/dbraw/zinc/63/00/65/1432630065.db2.gz HABTWAGXMRLQHR-CYBMUJFWSA-N 1 0 383.805 3.332 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000191394831 1432651725 /nfs/dbraw/zinc/65/17/25/1432651725.db2.gz HDLZXGQAVCEWGW-NRFANRHFSA-N 1 0 392.503 3.415 20 30 GGEDRO COC(=O)[C@@](C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000191581692 1432686969 /nfs/dbraw/zinc/68/69/69/1432686969.db2.gz KHVHTKRVZYCMIW-DEOSSOPVSA-N 1 0 391.515 3.243 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000191854538 1432740345 /nfs/dbraw/zinc/74/03/45/1432740345.db2.gz FCNQBKRMCOFQNV-APWZRJJASA-N 1 0 396.453 3.310 20 30 GGEDRO N#Cc1cc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000191887987 1432747180 /nfs/dbraw/zinc/74/71/80/1432747180.db2.gz IESVGKRHLGGQFS-LJQANCHMSA-N 1 0 382.439 3.110 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1F ZINC000191896445 1432749577 /nfs/dbraw/zinc/74/95/77/1432749577.db2.gz QLNQADJTZZEKHN-UHFFFAOYSA-N 1 0 381.407 3.277 20 30 GGEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000191917142 1432755374 /nfs/dbraw/zinc/75/53/74/1432755374.db2.gz BIERVSLAVXDKAT-SFHVURJKSA-N 1 0 383.492 3.489 20 30 GGEDRO C#CCOc1ccccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191939221 1432761303 /nfs/dbraw/zinc/76/13/03/1432761303.db2.gz ZHTAZXSPSCWVSV-HXUWFJFHSA-N 1 0 393.487 3.111 20 30 GGEDRO C=CCN(CCOC)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000191958493 1432767115 /nfs/dbraw/zinc/76/71/15/1432767115.db2.gz UKUNACDJGRVVAN-UHFFFAOYSA-N 1 0 380.920 3.148 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCCCC1 ZINC000192086510 1432795442 /nfs/dbraw/zinc/79/54/42/1432795442.db2.gz TYNUSBOZYMKBMF-AEFFLSMTSA-N 1 0 379.863 3.241 20 30 GGEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000192132505 1432803821 /nfs/dbraw/zinc/80/38/21/1432803821.db2.gz ZKINAWOAPGPZNY-CTNGQTDRSA-N 1 0 385.414 3.331 20 30 GGEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000192132510 1432803899 /nfs/dbraw/zinc/80/38/99/1432803899.db2.gz ZKINAWOAPGPZNY-FPOVZHCZSA-N 1 0 385.414 3.331 20 30 GGEDRO C=CCC[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000192199145 1432815036 /nfs/dbraw/zinc/81/50/36/1432815036.db2.gz JVPAHQOMDKAORG-QFIPXVFZSA-N 1 0 384.568 3.363 20 30 GGEDRO N#Cc1ccc(SCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192215552 1432817938 /nfs/dbraw/zinc/81/79/38/1432817938.db2.gz WQKZZGUNNRFVBQ-FQEVSTJZSA-N 1 0 395.528 3.058 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(OC(F)F)c(F)c3)C2=O)cc1 ZINC000192243065 1432821557 /nfs/dbraw/zinc/82/15/57/1432821557.db2.gz LHJKQCBIXYOVOU-QGZVFWFLSA-N 1 0 389.377 3.189 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000192243791 1432821680 /nfs/dbraw/zinc/82/16/80/1432821680.db2.gz PLDNIMQUNCHGHQ-JOCHJYFZSA-N 1 0 388.471 3.132 20 30 GGEDRO CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000192245271 1432822123 /nfs/dbraw/zinc/82/21/23/1432822123.db2.gz XFJFYVKIPRUPIZ-HXUWFJFHSA-N 1 0 393.487 3.246 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192354442 1432835550 /nfs/dbraw/zinc/83/55/50/1432835550.db2.gz VKOQUBVTMDJTNG-DEOSSOPVSA-N 1 0 378.516 3.469 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192354436 1432835597 /nfs/dbraw/zinc/83/55/97/1432835597.db2.gz VKOQUBVTMDJTNG-XMMPIXPASA-N 1 0 378.516 3.469 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)CCCC)cc2)CC1 ZINC000192390261 1432840432 /nfs/dbraw/zinc/84/04/32/1432840432.db2.gz MAQCHPTZADBZAZ-UHFFFAOYSA-N 1 0 378.538 3.031 20 30 GGEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000192554868 1432859296 /nfs/dbraw/zinc/85/92/96/1432859296.db2.gz USBLUWLMUOYSHL-FBBABVLZSA-N 1 0 396.535 3.070 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+](CCO)[C@@H]3CCc4ccccc43)C2=O)cc1 ZINC000192613959 1432866265 /nfs/dbraw/zinc/86/62/65/1432866265.db2.gz YASMULHVDKTQMR-FGZHOGPDSA-N 1 0 375.472 3.035 20 30 GGEDRO C[C@@H](O)C[N@@H+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000192813701 1432893895 /nfs/dbraw/zinc/89/38/95/1432893895.db2.gz FRHAKYGQNYPOFH-LEWJYISDSA-N 1 0 377.532 3.273 20 30 GGEDRO N#Cc1cccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000192825374 1432895419 /nfs/dbraw/zinc/89/54/19/1432895419.db2.gz FZQXGJJOEILGDY-UHFFFAOYSA-N 1 0 383.879 3.371 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC(C)C ZINC000192966026 1432914165 /nfs/dbraw/zinc/91/41/65/1432914165.db2.gz YEOVJOURNDQDDJ-LJQANCHMSA-N 1 0 386.540 3.299 20 30 GGEDRO CCNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccccc1CC ZINC000192973152 1432915109 /nfs/dbraw/zinc/91/51/09/1432915109.db2.gz GMQXXIMJMIEESB-UHFFFAOYSA-O 1 0 396.536 3.212 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCC(=O)N3)C(=S)NC(C)C)cc1 ZINC000192983231 1432917022 /nfs/dbraw/zinc/91/70/22/1432917022.db2.gz KRPUKEQBIMFFLX-UHFFFAOYSA-O 1 0 382.509 3.104 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000192988286 1432917849 /nfs/dbraw/zinc/91/78/49/1432917849.db2.gz BAOXPCLTVLVRIN-MRXNPFEDSA-N 1 0 389.908 3.012 20 30 GGEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000193009273 1432921932 /nfs/dbraw/zinc/92/19/32/1432921932.db2.gz CXBXLGVZISERGF-UHFFFAOYSA-N 1 0 386.517 3.326 20 30 GGEDRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000193084454 1432933828 /nfs/dbraw/zinc/93/38/28/1432933828.db2.gz AMHIGGHMACEAKV-UHFFFAOYSA-N 1 0 384.524 3.055 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc(F)cc(F)c3)CC2)cc1 ZINC000193188553 1432953791 /nfs/dbraw/zinc/95/37/91/1432953791.db2.gz FFKOKNBUBFPBBT-UHFFFAOYSA-N 1 0 384.430 3.254 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)C1CCCC1 ZINC000193194424 1432955481 /nfs/dbraw/zinc/95/54/81/1432955481.db2.gz UDTCTCJPODBLHG-KRWDZBQOSA-N 1 0 392.544 3.002 20 30 GGEDRO C=CCc1cc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc(OC)c1O ZINC000193333129 1432981079 /nfs/dbraw/zinc/98/10/79/1432981079.db2.gz RCUDJHNGYBWNRO-HDICACEKSA-N 1 0 388.508 3.428 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000193508481 1433011139 /nfs/dbraw/zinc/01/11/39/1433011139.db2.gz IPIGCPWMERHZGS-IAGOWNOFSA-N 1 0 378.476 3.218 20 30 GGEDRO CC(C)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000193573589 1433021971 /nfs/dbraw/zinc/02/19/71/1433021971.db2.gz QWGIGPAPYIRVAW-UHFFFAOYSA-N 1 0 392.503 3.211 20 30 GGEDRO CC(C)c1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000193573571 1433021995 /nfs/dbraw/zinc/02/19/95/1433021995.db2.gz QLJJUMLXIHUQED-UHFFFAOYSA-N 1 0 392.503 3.211 20 30 GGEDRO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc(Cl)c1OCC(N)=O ZINC000193613767 1433029153 /nfs/dbraw/zinc/02/91/53/1433029153.db2.gz ZAIRJQQLIZCWHY-UHFFFAOYSA-N 1 0 399.878 3.249 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000193681636 1433039943 /nfs/dbraw/zinc/03/99/43/1433039943.db2.gz LKJSCHXGMRHUCW-FQEVSTJZSA-N 1 0 378.476 3.145 20 30 GGEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193745730 1433051183 /nfs/dbraw/zinc/05/11/83/1433051183.db2.gz ICVXMTOKJGAOOH-INIZCTEOSA-N 1 0 384.524 3.053 20 30 GGEDRO C[NH+](C)C1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000193758074 1433053899 /nfs/dbraw/zinc/05/38/99/1433053899.db2.gz BOODPZDWZGOENU-UHFFFAOYSA-N 1 0 391.475 3.368 20 30 GGEDRO C=CCc1ccc(OCC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000193808798 1433064478 /nfs/dbraw/zinc/06/44/78/1433064478.db2.gz GTDUSJYWIFGNBZ-OAQYLSRUSA-N 1 0 394.515 3.441 20 30 GGEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSc2cc(C#N)ccn2)CC1 ZINC000193832654 1433068609 /nfs/dbraw/zinc/06/86/09/1433068609.db2.gz NRJMVJIYZPUYJT-UHFFFAOYSA-N 1 0 380.517 3.088 20 30 GGEDRO N#Cc1ccc(CSCC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000193832444 1433068643 /nfs/dbraw/zinc/06/86/43/1433068643.db2.gz BIRBJYXRJGKGAA-NRFANRHFSA-N 1 0 379.529 3.430 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2cc(C#N)ccn2)CC1 ZINC000193832813 1433068924 /nfs/dbraw/zinc/06/89/24/1433068924.db2.gz APWRQDRFTDEGJY-UHFFFAOYSA-N 1 0 380.517 3.135 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000194248328 1433148560 /nfs/dbraw/zinc/14/85/60/1433148560.db2.gz JKUDFVQZYGRHRJ-INIZCTEOSA-N 1 0 388.487 3.001 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000194248379 1433148591 /nfs/dbraw/zinc/14/85/91/1433148591.db2.gz KNTMMDVJKXJCQJ-INIZCTEOSA-N 1 0 390.503 3.225 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2ncccc2c1 ZINC000194570571 1433199325 /nfs/dbraw/zinc/19/93/25/1433199325.db2.gz VBDNZXGDPUTDIL-UHFFFAOYSA-N 1 0 387.487 3.380 20 30 GGEDRO C=CCSCCNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000194576017 1433200230 /nfs/dbraw/zinc/20/02/30/1433200230.db2.gz OZRKNQTXCLKDIK-UHFFFAOYSA-N 1 0 377.554 3.126 20 30 GGEDRO CC[NH+](CC)CCOc1cc(NC(=O)Cc2ccc(C#N)cc2)ccc1OC ZINC000194764478 1433226524 /nfs/dbraw/zinc/22/65/24/1433226524.db2.gz NGBZHYIAKGQXIT-UHFFFAOYSA-N 1 0 381.476 3.469 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC(C)C)[n+]1ccc(N(C)C)cc1 ZINC000194838184 1433245169 /nfs/dbraw/zinc/24/51/69/1433245169.db2.gz YPDHCZVAEYMRNT-UHFFFAOYSA-O 1 0 386.541 3.294 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Cc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000194856648 1433249466 /nfs/dbraw/zinc/24/94/66/1433249466.db2.gz KFYZGKAHXWEKGC-QZTJIDSGSA-N 1 0 377.488 3.026 20 30 GGEDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000194860082 1433250486 /nfs/dbraw/zinc/25/04/86/1433250486.db2.gz IEHPPIQSHIYIPH-JOCHJYFZSA-N 1 0 380.492 3.370 20 30 GGEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)ccc1OC ZINC000194936233 1433268134 /nfs/dbraw/zinc/26/81/34/1433268134.db2.gz UQWYADAHBUOXML-QGZVFWFLSA-N 1 0 386.496 3.479 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000194955835 1433271959 /nfs/dbraw/zinc/27/19/59/1433271959.db2.gz IFVLFJLXLMVRHC-UHFFFAOYSA-N 1 0 387.499 3.471 20 30 GGEDRO CCCC[NH+]1CCC(NC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000194957780 1433272381 /nfs/dbraw/zinc/27/23/81/1433272381.db2.gz HCJLQKFOJRGQNR-UHFFFAOYSA-N 1 0 383.540 3.044 20 30 GGEDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194968077 1433274032 /nfs/dbraw/zinc/27/40/32/1433274032.db2.gz VLGPGWZWZUHAAF-UHFFFAOYSA-N 1 0 394.431 3.468 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(N(C)C)cc1 ZINC000194972318 1433274804 /nfs/dbraw/zinc/27/48/04/1433274804.db2.gz UIZLDYDUIQOGSO-HNNXBMFYSA-O 1 0 386.541 3.376 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000195159085 1433301155 /nfs/dbraw/zinc/30/11/55/1433301155.db2.gz AULBDUYMDZTFRA-UHFFFAOYSA-N 1 0 382.386 3.374 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000195236595 1433310498 /nfs/dbraw/zinc/31/04/98/1433310498.db2.gz OUPJDTZASZBBFT-FCHUYYIVSA-N 1 0 392.478 3.471 20 30 GGEDRO C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)NC(=O)OC(C)(C)C ZINC000195292350 1433315984 /nfs/dbraw/zinc/31/59/84/1433315984.db2.gz FLYSGNRWKZLCRC-JTQLQIEISA-N 1 0 376.379 3.225 20 30 GGEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000195343983 1433321019 /nfs/dbraw/zinc/32/10/19/1433321019.db2.gz BTJPYAPVUCIIQP-UHFFFAOYSA-N 1 0 399.539 3.026 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c(OC)c1 ZINC000195358156 1433322412 /nfs/dbraw/zinc/32/24/12/1433322412.db2.gz JPCIGHQYFJXYEI-ZWKOTPCHSA-N 1 0 388.533 3.500 20 30 GGEDRO C[C@H](NC(=O)/C=C/c1ccccc1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000195526335 1433338407 /nfs/dbraw/zinc/33/84/07/1433338407.db2.gz WTCUUITUMPRJKK-JEJOPICUSA-N 1 0 392.478 3.340 20 30 GGEDRO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000195551810 1433339426 /nfs/dbraw/zinc/33/94/26/1433339426.db2.gz MOADLPQVKXMIFK-INIZCTEOSA-N 1 0 381.442 3.478 20 30 GGEDRO C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000195551812 1433339451 /nfs/dbraw/zinc/33/94/51/1433339451.db2.gz MOADLPQVKXMIFK-MRXNPFEDSA-N 1 0 381.442 3.478 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1COc2ccccc2O1 ZINC000198384164 1433349619 /nfs/dbraw/zinc/34/96/19/1433349619.db2.gz AEVLGHRLRHCUQJ-AWEZNQCLSA-N 1 0 397.500 3.209 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1COc2ccccc2O1 ZINC000198384149 1433349733 /nfs/dbraw/zinc/34/97/33/1433349733.db2.gz AEVLGHRLRHCUQJ-CQSZACIVSA-N 1 0 397.500 3.209 20 30 GGEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000216166263 1433363134 /nfs/dbraw/zinc/36/31/34/1433363134.db2.gz WVKHQJGGYDNMDX-QGZVFWFLSA-N 1 0 395.569 3.251 20 30 GGEDRO CCN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@@H](C)C#N ZINC000226389749 1433368525 /nfs/dbraw/zinc/36/85/25/1433368525.db2.gz ZJEBMCIDIRWYQF-QFBILLFUSA-N 1 0 376.932 3.075 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)cc1 ZINC000236681415 1433376050 /nfs/dbraw/zinc/37/60/50/1433376050.db2.gz DJLWXDVYIITQJT-UHFFFAOYSA-N 1 0 380.444 3.413 20 30 GGEDRO COCCN1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000237126342 1433390273 /nfs/dbraw/zinc/39/02/73/1433390273.db2.gz SDGJWNDNCJSZHZ-UHFFFAOYSA-N 1 0 379.504 3.338 20 30 GGEDRO COc1cc2c(c(C[NH2+]C3CCN(c4ccc(C#N)cn4)CC3)c1)O[C@H](C)C2 ZINC000237392166 1433400515 /nfs/dbraw/zinc/40/05/15/1433400515.db2.gz RNOWRYKIEIKUJV-OAHLLOKOSA-N 1 0 378.476 3.044 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000237483794 1433405455 /nfs/dbraw/zinc/40/54/55/1433405455.db2.gz QWMHUXKGMIZVGJ-SFHVURJKSA-N 1 0 392.503 3.170 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000237494265 1433406295 /nfs/dbraw/zinc/40/62/95/1433406295.db2.gz BDNKYMXCRDBATH-INIZCTEOSA-N 1 0 383.467 3.367 20 30 GGEDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N2CCOCC2)cc1 ZINC000237596253 1433411368 /nfs/dbraw/zinc/41/13/68/1433411368.db2.gz XCXOYPFJDYXLSZ-XXBNENTESA-N 1 0 379.504 3.449 20 30 GGEDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N2CCOCC2)cc1 ZINC000237595040 1433411391 /nfs/dbraw/zinc/41/13/91/1433411391.db2.gz XCXOYPFJDYXLSZ-AUSIDOKSSA-N 1 0 379.504 3.449 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000237598881 1433411915 /nfs/dbraw/zinc/41/19/15/1433411915.db2.gz GZHPRHRRBVCJGR-GOSISDBHSA-N 1 0 379.504 3.476 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)cc1 ZINC000237638611 1433413963 /nfs/dbraw/zinc/41/39/63/1433413963.db2.gz DUXQSULJSSYNBT-OALUTQOASA-N 1 0 379.504 3.488 20 30 GGEDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cn2)CCO1 ZINC000237667148 1433415822 /nfs/dbraw/zinc/41/58/22/1433415822.db2.gz NLWPHHHDGREQHN-SFHVURJKSA-N 1 0 380.492 3.279 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000237822617 1433426186 /nfs/dbraw/zinc/42/61/86/1433426186.db2.gz SCEBJCAJQWPAFF-HSZRJFAPSA-N 1 0 379.504 3.360 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]CCN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000237829164 1433426911 /nfs/dbraw/zinc/42/69/11/1433426911.db2.gz ZELAXKAJYQZGMY-UHFFFAOYSA-N 1 0 396.510 3.420 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)nc1 ZINC000237851204 1433428844 /nfs/dbraw/zinc/42/88/44/1433428844.db2.gz VGNWXGZKUADPPX-QFIPXVFZSA-N 1 0 392.503 3.270 20 30 GGEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H](C)O1 ZINC000245199233 1433453885 /nfs/dbraw/zinc/45/38/85/1433453885.db2.gz CJAZARCYOKEMIM-JFIYKMOQSA-N 1 0 387.528 3.220 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000245389531 1433457658 /nfs/dbraw/zinc/45/76/58/1433457658.db2.gz ILSZTJWMCNYJBG-MSOLQXFVSA-N 1 0 391.581 3.135 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3CCCOC3)sc2C1 ZINC000245419529 1433464069 /nfs/dbraw/zinc/46/40/69/1433464069.db2.gz AWRXBVMVBCFROH-HUUCEWRRSA-N 1 0 375.538 3.432 20 30 GGEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000245448593 1433469529 /nfs/dbraw/zinc/46/95/29/1433469529.db2.gz MZPPXYARLVFXKH-RTBURBONSA-N 1 0 376.504 3.482 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000245495408 1433477093 /nfs/dbraw/zinc/47/70/93/1433477093.db2.gz PKIWVHMLIBVEFI-UXHICEINSA-N 1 0 382.508 3.201 20 30 GGEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245513832 1433480062 /nfs/dbraw/zinc/48/00/62/1433480062.db2.gz AZVXMCUCXXQKII-CUWPLCDZSA-N 1 0 396.535 3.070 20 30 GGEDRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245536737 1433482230 /nfs/dbraw/zinc/48/22/30/1433482230.db2.gz XUVPUDUSESFJDL-QUCCMNQESA-N 1 0 383.492 3.109 20 30 GGEDRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537701 1433482495 /nfs/dbraw/zinc/48/24/95/1433482495.db2.gz YLGWPKYCOUONRD-PMACEKPBSA-N 1 0 377.492 3.241 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000245740498 1433509193 /nfs/dbraw/zinc/50/91/93/1433509193.db2.gz XEKKVJHVFPXJIV-RXVVDRJESA-N 1 0 379.508 3.330 20 30 GGEDRO C#CCSCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245752938 1433512193 /nfs/dbraw/zinc/51/21/93/1433512193.db2.gz XZTFADDUADNSBR-WMLDXEAASA-N 1 0 383.920 3.138 20 30 GGEDRO CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245757275 1433512594 /nfs/dbraw/zinc/51/25/94/1433512594.db2.gz YUXWTJFUDKHWCZ-XZOQPEGZSA-N 1 0 396.579 3.286 20 30 GGEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000245872130 1433531340 /nfs/dbraw/zinc/53/13/40/1433531340.db2.gz ABELXAZJJWMARN-WMZOPIPTSA-N 1 0 379.426 3.183 20 30 GGEDRO N#CCC[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1 ZINC000245899665 1433538054 /nfs/dbraw/zinc/53/80/54/1433538054.db2.gz AQSMBLNKSKCDMT-PCCBWWKXSA-N 1 0 384.524 3.099 20 30 GGEDRO CN(CCC#N)c1ccc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000245905016 1433538971 /nfs/dbraw/zinc/53/89/71/1433538971.db2.gz AXBUQEUJTDTMJX-QFIPXVFZSA-N 1 0 391.519 3.098 20 30 GGEDRO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245952753 1433550285 /nfs/dbraw/zinc/55/02/85/1433550285.db2.gz BKIQORNNSKDKHU-QYZOEREBSA-N 1 0 377.271 3.489 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000246069358 1433564352 /nfs/dbraw/zinc/56/43/52/1433564352.db2.gz XPWFLLOWMZWLCN-OEWRPIJISA-N 1 0 397.544 3.134 20 30 GGEDRO Cc1cccc(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1C#N ZINC000246080669 1433565382 /nfs/dbraw/zinc/56/53/82/1433565382.db2.gz GSGORUZRVQHOPQ-MSOLQXFVSA-N 1 0 375.538 3.142 20 30 GGEDRO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000246165280 1433577088 /nfs/dbraw/zinc/57/70/88/1433577088.db2.gz MFBLTDJBIGOOSQ-PXNSSMCTSA-N 1 0 391.496 3.304 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246174254 1433577778 /nfs/dbraw/zinc/57/77/78/1433577778.db2.gz JONYGUCSIZPEQA-MSOLQXFVSA-N 1 0 386.565 3.295 20 30 GGEDRO C[C@](C#N)(NC(=O)CN1CCC[C@@H](COc2ccccc2Cl)C1)C1CC1 ZINC000246198622 1433581085 /nfs/dbraw/zinc/58/10/85/1433581085.db2.gz UISJRIDTWRLMIB-FOIQADDNSA-N 1 0 375.900 3.239 20 30 GGEDRO C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000246201097 1433581236 /nfs/dbraw/zinc/58/12/36/1433581236.db2.gz ATGCLFCEAJIVSK-ROUUACIJSA-N 1 0 384.553 3.036 20 30 GGEDRO CCN(C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000246232193 1433584671 /nfs/dbraw/zinc/58/46/71/1433584671.db2.gz QIWRHSOAWASUNH-GDBMZVCRSA-N 1 0 382.430 3.091 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000246235870 1433585222 /nfs/dbraw/zinc/58/52/22/1433585222.db2.gz NITXADFNXHKIFE-FDDCHVKYSA-N 1 0 390.531 3.452 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)c(OC)c1 ZINC000246251831 1433586516 /nfs/dbraw/zinc/58/65/16/1433586516.db2.gz ZVNQJEFNTXAPIJ-SFTDATJTSA-N 1 0 388.552 3.114 20 30 GGEDRO CCOC(=O)[C@@H](Cc1ccccc1)N(C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000246254755 1433586743 /nfs/dbraw/zinc/58/67/43/1433586743.db2.gz AEWZEALRPUFNPF-FGZHOGPDSA-N 1 0 378.472 3.230 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246273323 1433588424 /nfs/dbraw/zinc/58/84/24/1433588424.db2.gz BEDNMAXGFCJXTC-WIYYLYMNSA-N 1 0 399.583 3.459 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000246275709 1433588698 /nfs/dbraw/zinc/58/86/98/1433588698.db2.gz BMSBMGBJHYCLTR-RTBURBONSA-N 1 0 399.535 3.303 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246286183 1433589632 /nfs/dbraw/zinc/58/96/32/1433589632.db2.gz ARTWYGMSEKQNSG-AOIWGVFYSA-N 1 0 386.565 3.311 20 30 GGEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000246282969 1433589742 /nfs/dbraw/zinc/58/97/42/1433589742.db2.gz ANMBNMYNSVGOTQ-KURKYZTESA-N 1 0 386.565 3.435 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246297325 1433591334 /nfs/dbraw/zinc/59/13/34/1433591334.db2.gz DWHLQVGHMHDRTF-IEBWSBKVSA-N 1 0 385.508 3.059 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246332019 1433595888 /nfs/dbraw/zinc/59/58/88/1433595888.db2.gz LDBXZDKGJAFSEV-YTFSRNRJSA-N 1 0 388.515 3.360 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246429723 1433611819 /nfs/dbraw/zinc/61/18/19/1433611819.db2.gz CNKLEJUEPIWHDH-NSISKUIASA-N 1 0 387.499 3.445 20 30 GGEDRO N#Cc1ccsc1N1CC[C@@H](N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000246450108 1433614617 /nfs/dbraw/zinc/61/46/17/1433614617.db2.gz MRLMOECKPCXKPI-PKOBYXMFSA-N 1 0 386.565 3.313 20 30 GGEDRO N#Cc1ccc(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000246481130 1433619054 /nfs/dbraw/zinc/61/90/54/1433619054.db2.gz GNXYBSOSMKGUMJ-OXJNMPFZSA-N 1 0 386.927 3.489 20 30 GGEDRO N#CCSc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246503710 1433622531 /nfs/dbraw/zinc/62/25/31/1433622531.db2.gz HVBYHODWMXQTDT-QFBILLFUSA-N 1 0 384.549 3.189 20 30 GGEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246524751 1433625255 /nfs/dbraw/zinc/62/52/55/1433625255.db2.gz RNDDJLCIVSMTCX-RBBKRZOGSA-N 1 0 377.488 3.226 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246563674 1433631899 /nfs/dbraw/zinc/63/18/99/1433631899.db2.gz LAUITVKRPLQGNM-IIMJZQEZSA-N 1 0 386.927 3.487 20 30 GGEDRO COc1cc(N[C@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000246768413 1433662543 /nfs/dbraw/zinc/66/25/43/1433662543.db2.gz QJHHABNSQFQRDS-PGRDOPGGSA-N 1 0 381.476 3.185 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246790867 1433666978 /nfs/dbraw/zinc/66/69/78/1433666978.db2.gz MIRLTXZTQOZXLF-DXIQSLLYSA-N 1 0 380.536 3.270 20 30 GGEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000246805612 1433670315 /nfs/dbraw/zinc/67/03/15/1433670315.db2.gz SYCVCHSPDRABQR-ILXRZTDVSA-N 1 0 375.538 3.308 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000246872155 1433680986 /nfs/dbraw/zinc/68/09/86/1433680986.db2.gz DNTRVTBZBFAZCO-OALUTQOASA-N 1 0 398.580 3.426 20 30 GGEDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247206043 1433690972 /nfs/dbraw/zinc/69/09/72/1433690972.db2.gz XNTSHAGKRSNTKH-DOTOQJQBSA-N 1 0 384.524 3.086 20 30 GGEDRO N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247204658 1433691110 /nfs/dbraw/zinc/69/11/10/1433691110.db2.gz WNAHDAPDZRJFFC-NHCUHLMSSA-N 1 0 395.528 3.233 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000247242359 1433695489 /nfs/dbraw/zinc/69/54/89/1433695489.db2.gz TUNQWGGQSJLBJX-SQNIBIBYSA-N 1 0 377.554 3.424 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)c1C#N ZINC000247254802 1433696905 /nfs/dbraw/zinc/69/69/05/1433696905.db2.gz ZZIZZNOKFKVEIB-TZIWHRDSSA-N 1 0 394.519 3.056 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H](C)C1 ZINC000247299301 1433702044 /nfs/dbraw/zinc/70/20/44/1433702044.db2.gz UVKGWELAFUFYRL-PGRDOPGGSA-N 1 0 398.551 3.369 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000247314420 1433704644 /nfs/dbraw/zinc/70/46/44/1433704644.db2.gz HKQQNXUCUMCJKC-TZIWHRDSSA-N 1 0 381.520 3.292 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000247658404 1433744214 /nfs/dbraw/zinc/74/42/14/1433744214.db2.gz QVLGDTBVOKOIQJ-UHFFFAOYSA-N 1 0 399.498 3.021 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1Cl ZINC000247657369 1433744375 /nfs/dbraw/zinc/74/43/75/1433744375.db2.gz XJIRKWDROKNYMJ-PXNSSMCTSA-N 1 0 398.894 3.216 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000247783143 1433751030 /nfs/dbraw/zinc/75/10/30/1433751030.db2.gz XXPDNZYSDSBXDO-FPOVZHCZSA-N 1 0 379.508 3.330 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000248134583 1433773213 /nfs/dbraw/zinc/77/32/13/1433773213.db2.gz ZYKOKVYUZHAKQQ-JOCHJYFZSA-N 1 0 393.535 3.300 20 30 GGEDRO N#CC1(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000248173795 1433777378 /nfs/dbraw/zinc/77/73/78/1433777378.db2.gz VGKJYJZHFCLVMG-FCHUYYIVSA-N 1 0 394.563 3.316 20 30 GGEDRO N#CCCn1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000248174330 1433777933 /nfs/dbraw/zinc/77/79/33/1433777933.db2.gz VHYJWYCRJOGQAX-WOJBJXKFSA-N 1 0 392.507 3.315 20 30 GGEDRO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248557215 1433808281 /nfs/dbraw/zinc/80/82/81/1433808281.db2.gz IKXPFPREJJVTAA-KPLVRAHFSA-N 1 0 380.536 3.296 20 30 GGEDRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248743329 1433819294 /nfs/dbraw/zinc/81/92/94/1433819294.db2.gz MSNRSZFXLXZPIA-JAPVEFRCSA-N 1 0 395.528 3.484 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)C2=O)cc1 ZINC000248782410 1433822244 /nfs/dbraw/zinc/82/22/44/1433822244.db2.gz VNSPBRXZKHCBJJ-AQNXPRMDSA-N 1 0 385.533 3.040 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000248843924 1433825312 /nfs/dbraw/zinc/82/53/12/1433825312.db2.gz OBIRJKODPOXHSM-LAUBAEHRSA-N 1 0 392.503 3.244 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248905731 1433828852 /nfs/dbraw/zinc/82/88/52/1433828852.db2.gz YTHJPDLWLOJXKR-KZNAEPCWSA-N 1 0 398.551 3.334 20 30 GGEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C12CCCCC2 ZINC000249024101 1433832337 /nfs/dbraw/zinc/83/23/37/1433832337.db2.gz LFHIOGVJDZCNDO-PWRODBHTSA-N 1 0 381.520 3.377 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249358408 1433841737 /nfs/dbraw/zinc/84/17/37/1433841737.db2.gz LHVWNECNSXUBCY-HZPDHXFCSA-N 1 0 390.553 3.247 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000249358406 1433841762 /nfs/dbraw/zinc/84/17/62/1433841762.db2.gz LHVWNECNSXUBCY-CVEARBPZSA-N 1 0 390.553 3.247 20 30 GGEDRO C=C[C@@H](CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000249517730 1433845967 /nfs/dbraw/zinc/84/59/67/1433845967.db2.gz SLWPBHNHKDHAHX-XUZZJYLKSA-N 1 0 378.516 3.442 20 30 GGEDRO C#CC[N@@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)[C@H]1CCc2ccccc21 ZINC000249731713 1433850287 /nfs/dbraw/zinc/85/02/87/1433850287.db2.gz UBISQEVQAPNOAK-REWPJTCUSA-N 1 0 378.472 3.007 20 30 GGEDRO CCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000249739910 1433850527 /nfs/dbraw/zinc/85/05/27/1433850527.db2.gz DUJNYGPHZAUHMT-JTHBVZDNSA-N 1 0 384.568 3.417 20 30 GGEDRO Cc1noc([C@@H]2CCCN([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000249770985 1433851786 /nfs/dbraw/zinc/85/17/86/1433851786.db2.gz SBLMPQPMIOOLHB-FUHWJXTLSA-N 1 0 381.480 3.201 20 30 GGEDRO CCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000250011005 1433853965 /nfs/dbraw/zinc/85/39/65/1433853965.db2.gz KLQQEHDUANSKCN-YLJYHZDGSA-N 1 0 381.476 3.037 20 30 GGEDRO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000250279442 1433855524 /nfs/dbraw/zinc/85/55/24/1433855524.db2.gz BODWXXMIOYCHEY-CTNGQTDRSA-N 1 0 396.535 3.072 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000251016666 1433857552 /nfs/dbraw/zinc/85/75/52/1433857552.db2.gz WWAFNQHCURYCNV-SJORKVTESA-N 1 0 390.553 3.297 20 30 GGEDRO CC(C)[C@@H](NC(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000254941178 1433872550 /nfs/dbraw/zinc/87/25/50/1433872550.db2.gz OBDOLFBUPLRKPO-HSZRJFAPSA-N 1 0 395.503 3.387 20 30 GGEDRO CC(C)CCC[C@H](C)NC(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255049713 1433874973 /nfs/dbraw/zinc/87/49/73/1433874973.db2.gz NXGBZBAEWGIKSJ-SFHVURJKSA-N 1 0 375.513 3.205 20 30 GGEDRO C[C@@H](NC(=O)[C@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000255061292 1433875278 /nfs/dbraw/zinc/87/52/78/1433875278.db2.gz QCFMSHUVHOXKDF-SJORKVTESA-N 1 0 399.466 3.279 20 30 GGEDRO Oc1ccc(Br)cc1/C=N\C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000255069651 1433875598 /nfs/dbraw/zinc/87/55/98/1433875598.db2.gz FGTAVAMEHNZQIK-BJSXHXNNSA-N 1 0 381.314 3.342 20 30 GGEDRO Cc1sc(NC(=O)CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c(C)c1C ZINC000255072700 1433875786 /nfs/dbraw/zinc/87/57/86/1433875786.db2.gz KKRCEXQXEBYMCR-UHFFFAOYSA-N 1 0 387.505 3.499 20 30 GGEDRO COc1ccccc1-c1nnc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)o1 ZINC000255328900 1433880500 /nfs/dbraw/zinc/88/05/00/1433880500.db2.gz RKIHDBXNNKQPMW-UHFFFAOYSA-N 1 0 394.431 3.133 20 30 GGEDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cnn1-c1cccc(Cl)c1 ZINC000255337838 1433880784 /nfs/dbraw/zinc/88/07/84/1433880784.db2.gz OGOUNFBROFFSPR-ZIPFOMIPSA-N 1 0 399.882 3.011 20 30 GGEDRO C#CCOc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cc1 ZINC000255356636 1433881114 /nfs/dbraw/zinc/88/11/14/1433881114.db2.gz XZVVEQNXLMCYHY-SFQUDFHCSA-N 1 0 388.558 3.488 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255387532 1433882083 /nfs/dbraw/zinc/88/20/83/1433882083.db2.gz PVQNYNHEJGIKDB-RAXLEYEMSA-N 1 0 387.480 3.062 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]\CCN(C)S(=O)(=O)c2cccs2)c(O)c1 ZINC000255464296 1433883009 /nfs/dbraw/zinc/88/30/09/1433883009.db2.gz SWQUMIFTHPOKGV-RGEXLXHISA-N 1 0 395.550 3.040 20 30 GGEDRO C[NH+](C)CCNC(=O)c1cccc(C/N=C\c2c(O)ccc3ccccc32)c1 ZINC000255470352 1433883213 /nfs/dbraw/zinc/88/32/13/1433883213.db2.gz GWQFAOHCCGYZBQ-JLPGSUDCSA-N 1 0 375.472 3.456 20 30 GGEDRO CON=Cc1ccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000255566128 1433885392 /nfs/dbraw/zinc/88/53/92/1433885392.db2.gz AVMCGZHKWQZRND-GOSISDBHSA-N 1 0 395.503 3.297 20 30 GGEDRO O=C(NCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1)C1N=CC=CC1=O ZINC000255583513 1433885844 /nfs/dbraw/zinc/88/58/44/1433885844.db2.gz VGDVNYOHNOEGQX-UTTYWZDOSA-N 1 0 375.472 3.477 20 30 GGEDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255710746 1433888192 /nfs/dbraw/zinc/88/81/92/1433888192.db2.gz LMPDILUTVULDCQ-OALUTQOASA-N 1 0 395.503 3.448 20 30 GGEDRO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)N[C@H](c1ccccc1)C1CC1 ZINC000255715122 1433888316 /nfs/dbraw/zinc/88/83/16/1433888316.db2.gz AZCWMZUASAMFNJ-HSZRJFAPSA-N 1 0 393.487 3.141 20 30 GGEDRO Cc1ccc(F)cc1NC(=O)[C@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255752987 1433888988 /nfs/dbraw/zinc/88/89/88/1433888988.db2.gz DADWXDYCROQQCZ-INIZCTEOSA-N 1 0 385.439 3.348 20 30 GGEDRO Cc1ccc([C@@H](C)NC(=O)CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000255827771 1433889778 /nfs/dbraw/zinc/88/97/78/1433889778.db2.gz IZELVMTZATUQFH-LJQANCHMSA-N 1 0 395.503 3.368 20 30 GGEDRO CON=Cc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000255844591 1433890092 /nfs/dbraw/zinc/89/00/92/1433890092.db2.gz NDVCXCOOSPTSND-FQEVSTJZSA-N 1 0 393.487 3.385 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]\CC(=O)Nc2ccc(-n3cccn3)cc2)c(O)c1 ZINC000255864632 1433890353 /nfs/dbraw/zinc/89/03/53/1433890353.db2.gz CXQJRUYJFOZNSX-HAHDFKILSA-N 1 0 391.475 3.482 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@@H](COCc2ccccc2)C1 ZINC000261601610 1433897018 /nfs/dbraw/zinc/89/70/18/1433897018.db2.gz BSKLKHKRIDMZSF-MHTWAQMVSA-N 1 0 383.536 3.058 20 30 GGEDRO C[NH+]=C(NCCc1cc(Cl)ccc1Br)N1CC[C@@H](COC)C1 ZINC000261610655 1433897180 /nfs/dbraw/zinc/89/71/80/1433897180.db2.gz AQYRGXJFIRJWAY-GFCCVEGCSA-N 1 0 388.737 3.189 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261645023 1433898109 /nfs/dbraw/zinc/89/81/09/1433898109.db2.gz DTXASTXDCLDWDF-IBGZPJMESA-N 1 0 398.894 3.035 20 30 GGEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCC(OCC2CC2)CC1 ZINC000261656201 1433898315 /nfs/dbraw/zinc/89/83/15/1433898315.db2.gz BHSDCFCRQSUMHB-XUVXKRRUSA-N 1 0 375.557 3.191 20 30 GGEDRO C=CC[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261660006 1433898456 /nfs/dbraw/zinc/89/84/56/1433898456.db2.gz AQHOROQEWHUSGJ-SFHVURJKSA-N 1 0 394.523 3.181 20 30 GGEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261673035 1433898627 /nfs/dbraw/zinc/89/86/27/1433898627.db2.gz POGWPEUBRADFDO-ISARSNTHSA-N 1 0 388.581 3.008 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261686257 1433899081 /nfs/dbraw/zinc/89/90/81/1433899081.db2.gz IBKWGIUKPOMSAB-GDLCADMTSA-N 1 0 388.459 3.175 20 30 GGEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2oc3ccccc3c2C)=[NH+]C)C1 ZINC000261730095 1433900693 /nfs/dbraw/zinc/90/06/93/1433900693.db2.gz LKHLFNJXGLHQQV-FBJHADKPSA-N 1 0 375.538 3.486 20 30 GGEDRO CC[NH+]=C(NCc1ccc(CN2CCCC2=O)cc1)N1CCSC(C)(C)C1 ZINC000261745896 1433901211 /nfs/dbraw/zinc/90/12/11/1433901211.db2.gz BVMFYJIZZBFYCV-UHFFFAOYSA-N 1 0 388.581 3.102 20 30 GGEDRO C[NH+]=C(NC[C@H](O)c1cc2ccccc2s1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261741581 1433901256 /nfs/dbraw/zinc/90/12/56/1433901256.db2.gz KRDSXCKRZIMRLC-SAKMYQHLSA-N 1 0 385.533 3.057 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[C@@H](COCc2ccccc2)C1 ZINC000261800799 1433904616 /nfs/dbraw/zinc/90/46/16/1433904616.db2.gz RUESSMBFGYWWGZ-MBDNFAEBSA-N 1 0 397.563 3.448 20 30 GGEDRO C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N(C)Cc1cc(Br)cn1C ZINC000261861408 1433907724 /nfs/dbraw/zinc/90/77/24/1433907724.db2.gz ZKBPDCDZRJSAQI-UHFFFAOYSA-N 1 0 396.333 3.281 20 30 GGEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261917868 1433912778 /nfs/dbraw/zinc/91/27/78/1433912778.db2.gz URIQADSHCOPJMX-GFCCVEGCSA-N 1 0 391.507 3.084 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261940465 1433914826 /nfs/dbraw/zinc/91/48/26/1433914826.db2.gz DLWFVQSKYHVIEI-LPHOPBHVSA-N 1 0 378.480 3.197 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCCS1)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000261946041 1433915536 /nfs/dbraw/zinc/91/55/36/1433915536.db2.gz FYFLYYALTLXFIW-KRWDZBQOSA-N 1 0 381.973 3.449 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@H](c3ccccc3C)C2)n1C ZINC000261950207 1433915594 /nfs/dbraw/zinc/91/55/94/1433915594.db2.gz HEIPXPMGEUMUSZ-SFHVURJKSA-N 1 0 380.540 3.310 20 30 GGEDRO Cc1nnc(CNC(NCc2cccs2)=[NH+][C@@H]2CC[C@@H]3CCC[C@H]3C2)n1C ZINC000261952726 1433915808 /nfs/dbraw/zinc/91/58/08/1433915808.db2.gz HUMOBZAFPFDPIG-YESZJQIVSA-N 1 0 386.569 3.389 20 30 GGEDRO C[NH+]=C(NCCc1nc(-c2cccc(Cl)c2)no1)N1CCSC(C)(C)C1 ZINC000261950742 1433915902 /nfs/dbraw/zinc/91/59/02/1433915902.db2.gz NWINLYROSDEBHT-UHFFFAOYSA-N 1 0 393.944 3.335 20 30 GGEDRO CCC1(CC)CCN(C(NCc2nnc3ccc(C(F)(F)F)cn32)=[NH+]C)C1 ZINC000261951571 1433916000 /nfs/dbraw/zinc/91/60/00/1433916000.db2.gz HNYCGXDXRUBAFV-UHFFFAOYSA-N 1 0 382.434 3.336 20 30 GGEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=[NH2+])Nc3ccccc3)cc2)C1 ZINC000261954203 1433916041 /nfs/dbraw/zinc/91/60/41/1433916041.db2.gz IFTAUDPWSDLNLS-INIZCTEOSA-N 1 0 386.521 3.034 20 30 GGEDRO CC[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261957621 1433916276 /nfs/dbraw/zinc/91/62/76/1433916276.db2.gz JEULMZWUIDLXGJ-KRWDZBQOSA-N 1 0 394.523 3.116 20 30 GGEDRO C[NH+]=C(NCc1cccc(OC)c1OC1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261959697 1433916624 /nfs/dbraw/zinc/91/66/24/1433916624.db2.gz JTXBSSNMDDTAMF-JOCHJYFZSA-N 1 0 387.524 3.204 20 30 GGEDRO C[NH+]=C(NCc1csc(Br)c1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261960395 1433916681 /nfs/dbraw/zinc/91/66/81/1433916681.db2.gz JZPXFFXCPYNCOJ-GXTWGEPZSA-N 1 0 396.358 3.366 20 30 GGEDRO CC[NH+]=C(NCCc1cc(Br)ccc1F)N1CC[C@@]2(CCOC2)C1 ZINC000261962915 1433916907 /nfs/dbraw/zinc/91/69/07/1433916907.db2.gz KRDDCAQAWAYBBB-GOSISDBHSA-N 1 0 398.320 3.209 20 30 GGEDRO C[NH+]=C(NCC(C)(C)c1ccc(Br)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000261961975 1433917038 /nfs/dbraw/zinc/91/70/38/1433917038.db2.gz KIUHYGOYCSCYFY-LJQANCHMSA-N 1 0 394.357 3.415 20 30 GGEDRO CC[NH+]=C(NCCc1cc(Br)ccc1F)N1CC[C@]2(CCOC2)C1 ZINC000261962917 1433917176 /nfs/dbraw/zinc/91/71/76/1433917176.db2.gz KRDDCAQAWAYBBB-SFHVURJKSA-N 1 0 398.320 3.209 20 30 GGEDRO CC[NH+]=C(NCc1ccccc1-n1nc(C)cc1C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000261967788 1433917756 /nfs/dbraw/zinc/91/77/56/1433917756.db2.gz LVTATZNUMFIFQO-TYPHKJRUSA-N 1 0 395.551 3.358 20 30 GGEDRO Cc1nnc(CNC(N[C@@H](C)c2ccccc2)=[NH+][C@H]2CCOC3(CCC3)C2)n1C ZINC000261970917 1433917996 /nfs/dbraw/zinc/91/79/96/1433917996.db2.gz MTJUXBYJKZZWAD-LPHOPBHVSA-N 1 0 396.539 3.022 20 30 GGEDRO Cc1nnc(CNC(N[C@H](C)c2ccccc2)=[NH+][C@H]2CCOC3(CCC3)C2)n1C ZINC000261970916 1433918101 /nfs/dbraw/zinc/91/81/01/1433918101.db2.gz MTJUXBYJKZZWAD-APWZRJJASA-N 1 0 396.539 3.022 20 30 GGEDRO [NH2+]=C(NCc1ccc(OC2CCCC2)nc1)Nc1ccc2c(c1)OCCCO2 ZINC000261969122 1433918197 /nfs/dbraw/zinc/91/81/97/1433918197.db2.gz CNTOVOLKJLFALD-UHFFFAOYSA-N 1 0 382.464 3.491 20 30 GGEDRO Cc1nnc(CNC(N[C@@H]2CCOc3ccccc32)=[NH+]C2CCCCC2)n1C ZINC000261985861 1433919067 /nfs/dbraw/zinc/91/90/67/1433919067.db2.gz QCDSBXROSZHQIK-GOSISDBHSA-N 1 0 382.512 3.015 20 30 GGEDRO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCc2ccccc2C1 ZINC000261988312 1433919641 /nfs/dbraw/zinc/91/96/41/1433919641.db2.gz KTUBWGRBAOVRDX-MRXNPFEDSA-N 1 0 380.492 3.021 20 30 GGEDRO [NH2+]=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000261989470 1433919663 /nfs/dbraw/zinc/91/96/63/1433919663.db2.gz LHCMNIFEVSGNJZ-GOSISDBHSA-N 1 0 395.381 3.025 20 30 GGEDRO CC[NH+]=C(NCc1ccc2c(c1)OCCCO2)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261986524 1433919772 /nfs/dbraw/zinc/91/97/72/1433919772.db2.gz QFIGKHUIQPPOKI-PKOBYXMFSA-N 1 0 397.523 3.093 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2Br)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261987204 1433919785 /nfs/dbraw/zinc/91/97/85/1433919785.db2.gz QKNGYEHGBLBNPG-GOSISDBHSA-N 1 0 392.341 3.169 20 30 GGEDRO [NH2+]=C(NCC(=O)N1CCCc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000261993857 1433919934 /nfs/dbraw/zinc/91/99/34/1433919934.db2.gz NCVVAFUYISLXKG-UHFFFAOYSA-N 1 0 392.381 3.291 20 30 GGEDRO CC[NH+]=C(NCCn1c(C)nc2ccccc21)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261998995 1433920484 /nfs/dbraw/zinc/92/04/84/1433920484.db2.gz TXMJNMNWKXNWDP-LAUBAEHRSA-N 1 0 393.539 3.090 20 30 GGEDRO C[NH+]=C(NC[C@H](c1ccco1)N1CCCCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261999683 1433920499 /nfs/dbraw/zinc/92/04/99/1433920499.db2.gz UBARIZSMSNYUAG-ZCNNSNEGSA-N 1 0 398.555 3.162 20 30 GGEDRO CC[NH+]=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CC[C@]2(CCOC2)C1 ZINC000261998442 1433920505 /nfs/dbraw/zinc/92/05/05/1433920505.db2.gz SXXUUHCUJOTTGU-FQEVSTJZSA-N 1 0 393.915 3.079 20 30 GGEDRO C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261999697 1433920613 /nfs/dbraw/zinc/92/06/13/1433920613.db2.gz UBCFVBUBHNIFPN-MGPUTAFESA-N 1 0 382.487 3.205 20 30 GGEDRO COc1ccc([C@@H]2CCN(C(NCc3nnc(C)n3C)=[NH+]C3CCCC3)C2)cc1 ZINC000261996368 1433920843 /nfs/dbraw/zinc/92/08/43/1433920843.db2.gz SNJXLQWMIGTHDI-GOSISDBHSA-N 1 0 396.539 3.010 20 30 GGEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000262005231 1433921139 /nfs/dbraw/zinc/92/11/39/1433921139.db2.gz VLHYNOOENVSHEB-OAHLLOKOSA-N 1 0 382.537 3.422 20 30 GGEDRO C=C(Br)CNC(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)=[NH+]C ZINC000262000778 1433921203 /nfs/dbraw/zinc/92/12/03/1433921203.db2.gz UAQPBCJUAGAPTM-GFCCVEGCSA-N 1 0 381.101 3.100 20 30 GGEDRO C[NH+]=C(NCCC1CCN(CC(F)(F)F)CC1)N1CCSC(C)(C)C1 ZINC000262003686 1433921344 /nfs/dbraw/zinc/92/13/44/1433921344.db2.gz UIBNDWDRAYLRSC-UHFFFAOYSA-N 1 0 380.524 3.054 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000262011494 1433921415 /nfs/dbraw/zinc/92/14/15/1433921415.db2.gz WSQKXDBIQGIZEN-GOSISDBHSA-N 1 0 381.442 3.425 20 30 GGEDRO [NH2+]=C(NCc1ccc(N2CCCCC2)nc1)Nc1ccc2c(c1)OCCCO2 ZINC000262011811 1433921622 /nfs/dbraw/zinc/92/16/22/1433921622.db2.gz UIZMGSKBIBILGG-UHFFFAOYSA-N 1 0 381.480 3.160 20 30 GGEDRO Cc1nnc(CNC(N[C@@H]2CCOc3ccccc32)=[NH+][C@@H]2CCC[C@H](C)C2)n1C ZINC000262012263 1433921725 /nfs/dbraw/zinc/92/17/25/1433921725.db2.gz WWMIISBASLXZKC-KVSKMBFKSA-N 1 0 396.539 3.261 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@]2(CCOC2)C1 ZINC000262011496 1433921846 /nfs/dbraw/zinc/92/18/46/1433921846.db2.gz WSQKXDBIQGIZEN-SFHVURJKSA-N 1 0 381.442 3.425 20 30 GGEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)N2CCCC2)o1 ZINC000262014316 1433921954 /nfs/dbraw/zinc/92/19/54/1433921954.db2.gz VJBPHQOTIRZFKD-QGZVFWFLSA-N 1 0 384.480 3.313 20 30 GGEDRO Cc1nnc(C[NH+]=C(NCc2cccs2)N2CC[C@@H](c3ccccc3)C2)n1C ZINC000262012308 1433922166 /nfs/dbraw/zinc/92/21/66/1433922166.db2.gz WXDYDJQGOAJDLB-GOSISDBHSA-N 1 0 394.548 3.320 20 30 GGEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)N2CCCC2)o1 ZINC000262014312 1433922167 /nfs/dbraw/zinc/92/21/67/1433922167.db2.gz VJBPHQOTIRZFKD-KRWDZBQOSA-N 1 0 384.480 3.313 20 30 GGEDRO C[NH+]=C(NCCc1ccc(-c2csc(C)n2)s1)N1CC[C@]2(CCOC2)C1 ZINC000262012724 1433922294 /nfs/dbraw/zinc/92/22/94/1433922294.db2.gz XBMDEDDHFAOORN-IBGZPJMESA-N 1 0 390.578 3.410 20 30 GGEDRO CC[NH+]=C(NCc1cc(Br)ccc1OC)N1CC[C@@]2(CCOC2)C1 ZINC000262019945 1433922583 /nfs/dbraw/zinc/92/25/83/1433922583.db2.gz YNTFGDSBMJJWRI-GOSISDBHSA-N 1 0 396.329 3.036 20 30 GGEDRO CC[NH+]=C(NCc1cc(Br)ccc1OC)N1CC[C@]2(CCOC2)C1 ZINC000262019946 1433922751 /nfs/dbraw/zinc/92/27/51/1433922751.db2.gz YNTFGDSBMJJWRI-SFHVURJKSA-N 1 0 396.329 3.036 20 30 GGEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000262019632 1433922993 /nfs/dbraw/zinc/92/29/93/1433922993.db2.gz XJUNGVCNOWTMPU-UHFFFAOYSA-N 1 0 388.537 3.307 20 30 GGEDRO c1ccc(NC(=[NH+]C[C@@]2(N3CCOCC3)CCSC2)N2CCCCC2)cc1 ZINC000262026067 1433923276 /nfs/dbraw/zinc/92/32/76/1433923276.db2.gz ZLYRREYZRWSFJP-NRFANRHFSA-N 1 0 388.581 3.148 20 30 GGEDRO [NH2+]=C(NC[C@H]1COC2(CCOCC2)O1)Nc1cccc(Oc2ccccc2)c1 ZINC000262128426 1433927948 /nfs/dbraw/zinc/92/79/48/1433927948.db2.gz KLSIQPIHXGLCCP-IBGZPJMESA-N 1 0 383.448 3.128 20 30 GGEDRO C[C@@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1cccc2ccccc21 ZINC000262156767 1433928820 /nfs/dbraw/zinc/92/88/20/1433928820.db2.gz BKCJVPCEXKIIMZ-HZPDHXFCSA-N 1 0 385.533 3.033 20 30 GGEDRO C[NH+]=C(NC[C@H](O)c1ccccc1)N(C)Cc1ccc(Br)s1 ZINC000262210031 1433930808 /nfs/dbraw/zinc/93/08/08/1433930808.db2.gz JOMYOCAKSPNMFS-AWEZNQCLSA-N 1 0 382.327 3.251 20 30 GGEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000262246985 1433932134 /nfs/dbraw/zinc/93/21/34/1433932134.db2.gz BKDGFJPRSNXILG-IBGZPJMESA-N 1 0 385.533 3.187 20 30 GGEDRO [NH2+]=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)Nc1cc(F)ccc1F ZINC000262279766 1433933454 /nfs/dbraw/zinc/93/34/54/1433933454.db2.gz KPZRSRATTWVQQZ-UHFFFAOYSA-N 1 0 389.402 3.169 20 30 GGEDRO C[C@@H]1CCCC[C@@H]1[NH+]=C(NCC(=O)N(C)C)N[C@H]1CCOC2(CCCCC2)C1 ZINC000262291610 1433933762 /nfs/dbraw/zinc/93/37/62/1433933762.db2.gz LICGMIJYCZPBPO-QYZOEREBSA-N 1 0 392.588 3.070 20 30 GGEDRO [NH2+]=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262328143 1433935207 /nfs/dbraw/zinc/93/52/07/1433935207.db2.gz RHKPQVBDPUKEDS-QGZVFWFLSA-N 1 0 384.480 3.395 20 30 GGEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1ccc(Cl)cc1 ZINC000262346426 1433935957 /nfs/dbraw/zinc/93/59/57/1433935957.db2.gz DKWGWXUPKWEEJA-GJZGRUSLSA-N 1 0 397.972 3.314 20 30 GGEDRO CN(Cc1ccc(Cl)cc1)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262350613 1433936230 /nfs/dbraw/zinc/93/62/30/1433936230.db2.gz FDAOFDSTQRUEOW-MRXNPFEDSA-N 1 0 397.972 3.095 20 30 GGEDRO CC1(C)CCC([NH+]=C(NCc2cccs2)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000262351349 1433936243 /nfs/dbraw/zinc/93/62/43/1433936243.db2.gz FDUJLGCSVXXRHO-HNNXBMFYSA-N 1 0 397.610 3.187 20 30 GGEDRO C=C(C)CNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCCC2(C1)CCCCCC2 ZINC000262358296 1433936462 /nfs/dbraw/zinc/93/64/62/1433936462.db2.gz GHVWZJHXSIUQHW-LJQANCHMSA-N 1 0 395.613 3.379 20 30 GGEDRO C[C@@H]1CC[C@H]([NH+]=C(NCc2cccs2)NC[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000262367292 1433936716 /nfs/dbraw/zinc/93/67/16/1433936716.db2.gz HYFMDBWKELRWSZ-QZWWFDLISA-N 1 0 397.610 3.043 20 30 GGEDRO CC1(C)CCC[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1 ZINC000262374428 1433936926 /nfs/dbraw/zinc/93/69/26/1433936926.db2.gz JEIDPOZLBRXIEA-AEFFLSMTSA-N 1 0 383.602 3.258 20 30 GGEDRO [NH2+]=C(NC[C@@H](O)c1c(Cl)cccc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000262373483 1433936946 /nfs/dbraw/zinc/93/69/46/1433936946.db2.gz JANUBMMPYJBYEC-HUUCEWRRSA-N 1 0 380.275 3.455 20 30 GGEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NC[C@@H](O)c1ccc(C)o1 ZINC000262383053 1433937399 /nfs/dbraw/zinc/93/73/99/1433937399.db2.gz LSCASHAGBFRLQN-CYBMUJFWSA-N 1 0 378.885 3.250 20 30 GGEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H](C)c1ccc2ccccc2c1 ZINC000262397047 1433937590 /nfs/dbraw/zinc/93/75/90/1433937590.db2.gz NCVYNRFTMVMBFS-IAGOWNOFSA-N 1 0 387.549 3.279 20 30 GGEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCCC2(C1)CCCCCC2 ZINC000262391576 1433937639 /nfs/dbraw/zinc/93/76/39/1433937639.db2.gz MGTTVKLXFDEJMI-GOSISDBHSA-N 1 0 383.602 3.212 20 30 GGEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000262411643 1433938181 /nfs/dbraw/zinc/93/81/81/1433938181.db2.gz PJYTZCLSFYJGPA-SJORKVTESA-N 1 0 391.581 3.005 20 30 GGEDRO [NH2+]=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1cccc2c1CCCC2 ZINC000262423324 1433938422 /nfs/dbraw/zinc/93/84/22/1433938422.db2.gz BTNQZISJJCVLLI-IBGZPJMESA-N 1 0 384.549 3.427 20 30 GGEDRO Cc1ccc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+][C@@H]2CCCC[C@H]2C)s1 ZINC000262417020 1433938471 /nfs/dbraw/zinc/93/84/71/1433938471.db2.gz QHYKBESNVYKCFJ-UWWQBHOKSA-N 1 0 397.610 3.105 20 30 GGEDRO C[NH+]=C(NCc1ccc(N2CCCC2)nc1)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000262436340 1433938887 /nfs/dbraw/zinc/93/88/87/1433938887.db2.gz GJRXJMQWGMPIAP-FQEVSTJZSA-N 1 0 393.535 3.255 20 30 GGEDRO CC1(C)CCC[C@@H]([NH+]=C(NCc2cccs2)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000262439876 1433939177 /nfs/dbraw/zinc/93/91/77/1433939177.db2.gz UJZXIBIQXRYUIB-JKSUJKDBSA-N 1 0 397.610 3.187 20 30 GGEDRO C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N1CC[C@@H](CC(C)C)C1 ZINC000262444994 1433939299 /nfs/dbraw/zinc/93/92/99/1433939299.db2.gz INKXOLXYQBFEHU-ZDUSSCGKSA-N 1 0 382.434 3.192 20 30 GGEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1cccc(Cl)c1 ZINC000262447184 1433939310 /nfs/dbraw/zinc/93/93/10/1433939310.db2.gz VLNKHVOUGOSITB-GJZGRUSLSA-N 1 0 397.972 3.314 20 30 GGEDRO C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N1CC[C@H](CC(C)C)C1 ZINC000262444993 1433939349 /nfs/dbraw/zinc/93/93/49/1433939349.db2.gz INKXOLXYQBFEHU-CYBMUJFWSA-N 1 0 382.434 3.192 20 30 GGEDRO C[C@@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1cccc(Cl)c1 ZINC000262447185 1433939405 /nfs/dbraw/zinc/93/94/05/1433939405.db2.gz VLNKHVOUGOSITB-HUUCEWRRSA-N 1 0 397.972 3.314 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262449650 1433939645 /nfs/dbraw/zinc/93/96/45/1433939645.db2.gz VSQFOMVWIHVYEA-ZWKOPEQDSA-N 1 0 376.448 3.031 20 30 GGEDRO C[NH+]=C(NCc1cccc(CN2CCCC2=O)c1)N1CC[C@H](c2ccccc2)C1 ZINC000262455557 1433939854 /nfs/dbraw/zinc/93/98/54/1433939854.db2.gz KXPIAJSWGVTYOP-QFIPXVFZSA-N 1 0 390.531 3.374 20 30 GGEDRO Cn1c(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)nc2cccc(Cl)c21 ZINC000262475488 1433940450 /nfs/dbraw/zinc/94/04/50/1433940450.db2.gz HGLODDXPMCACIV-UHFFFAOYSA-N 1 0 385.855 3.315 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000262474554 1433940462 /nfs/dbraw/zinc/94/04/62/1433940462.db2.gz PSSLXSIMYQCSTI-FQEVSTJZSA-N 1 0 388.519 3.216 20 30 GGEDRO C[C@@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+][C@H]1CCC[C@@H](C)C1)c1cccs1 ZINC000262475633 1433940480 /nfs/dbraw/zinc/94/04/80/1433940480.db2.gz ZSBMEFLQBPJHRJ-VQHPVUNQSA-N 1 0 397.610 3.358 20 30 GGEDRO C[NH+]=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)N1CC[C@H](COC)C1 ZINC000262478613 1433940668 /nfs/dbraw/zinc/94/06/68/1433940668.db2.gz QVICBFFWLNIWMG-SFHVURJKSA-N 1 0 379.504 3.332 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N1CC[C@H](c2ccccc2)C1 ZINC000262487176 1433940969 /nfs/dbraw/zinc/94/09/69/1433940969.db2.gz SVYYAZCCZLMLOQ-NRFANRHFSA-N 1 0 388.519 3.449 20 30 GGEDRO COc1ccc(Br)cc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262489306 1433941048 /nfs/dbraw/zinc/94/10/48/1433941048.db2.gz JALLJVSGLFEXTL-HNNXBMFYSA-N 1 0 390.281 3.386 20 30 GGEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000262489212 1433941052 /nfs/dbraw/zinc/94/10/52/1433941052.db2.gz UGAZCZSFSRTRHI-FQEVSTJZSA-N 1 0 388.519 3.216 20 30 GGEDRO C[NH+]=C(NCC1(c2ccc(Br)cc2)CCC1)N1CC[C@@H](COC)C1 ZINC000262493504 1433941428 /nfs/dbraw/zinc/94/14/28/1433941428.db2.gz VOXAUBKUKCEGHA-OAHLLOKOSA-N 1 0 394.357 3.415 20 30 GGEDRO C[NH+]=C(NCc1nnc(-c2ccc(OC)cc2)[nH]1)N1CC[C@@H](c2ccccc2)C1 ZINC000262502820 1433941623 /nfs/dbraw/zinc/94/16/23/1433941623.db2.gz YZSXXAUBJOGTMU-GOSISDBHSA-N 1 0 390.491 3.045 20 30 GGEDRO [NH2+]=C(NCCNc1ncc(Cl)cc1Cl)N[C@H]1CCOc2ccccc21 ZINC000262502026 1433941693 /nfs/dbraw/zinc/94/16/93/1433941693.db2.gz KSOXXSSDTLBPNX-AWEZNQCLSA-N 1 0 380.279 3.228 20 30 GGEDRO C[NH+]=C(NCc1ccc(-c2ccccc2)o1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262511846 1433941988 /nfs/dbraw/zinc/94/19/88/1433941988.db2.gz BKYDRMVENUIRRB-UHFFFAOYSA-N 1 0 392.459 3.073 20 30 GGEDRO CC[NH+]=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)N1CCC[C@@H](C)C1 ZINC000262516163 1433942081 /nfs/dbraw/zinc/94/20/81/1433942081.db2.gz CTYUMUUUMNFXAR-QGZVFWFLSA-N 1 0 387.524 3.161 20 30 GGEDRO COc1ccc(Br)c(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000262521933 1433942360 /nfs/dbraw/zinc/94/23/60/1433942360.db2.gz NZJXUWXXKLITRY-MRXNPFEDSA-N 1 0 390.281 3.386 20 30 GGEDRO CCOc1cc2c(cc1CNC(=[NH2+])N[C@@H]1CCOc3ccccc31)O[C@@H](C)C2 ZINC000262534669 1433942513 /nfs/dbraw/zinc/94/25/13/1433942513.db2.gz QFOQOWJGQFYNDV-KBXCAEBGSA-N 1 0 381.476 3.337 20 30 GGEDRO CCOc1cc2c(cc1CNC(=[NH2+])N[C@@H]1CCOc3ccccc31)O[C@H](C)C2 ZINC000262535428 1433942532 /nfs/dbraw/zinc/94/25/32/1433942532.db2.gz QFOQOWJGQFYNDV-RDTXWAMCSA-N 1 0 381.476 3.337 20 30 GGEDRO CCOc1cc2c(cc1CNC(=[NH2+])N[C@H]1CCOc3ccccc31)O[C@H](C)C2 ZINC000262535426 1433942617 /nfs/dbraw/zinc/94/26/17/1433942617.db2.gz QFOQOWJGQFYNDV-KDOFPFPSSA-N 1 0 381.476 3.337 20 30 GGEDRO [NH2+]=C(NCc1cccc(NC(=O)N2CCCC2)c1)N[C@H]1CCOc2ccccc21 ZINC000262533401 1433942670 /nfs/dbraw/zinc/94/26/70/1433942670.db2.gz QABVBVQJJZTGKZ-IBGZPJMESA-N 1 0 393.491 3.242 20 30 GGEDRO [NH2+]=C(NCCc1ccc(Br)s1)N[C@@H]1CCOc2ccccc21 ZINC000262543831 1433942937 /nfs/dbraw/zinc/94/29/37/1433942937.db2.gz ROOHXVSKIXMARE-CYBMUJFWSA-N 1 0 380.311 3.481 20 30 GGEDRO C[C@@H](NC(=[NH2+])NCc1nc(C(F)(F)F)n[nH]1)c1ccc(Cl)cc1Cl ZINC000262545703 1433943066 /nfs/dbraw/zinc/94/30/66/1433943066.db2.gz RXLGMGPKFNCFRQ-ZCFIWIBFSA-N 1 0 381.189 3.296 20 30 GGEDRO CN(C)c1cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c2ccccc2n1 ZINC000262549505 1433943337 /nfs/dbraw/zinc/94/33/37/1433943337.db2.gz XBRHLKYVMRNSJW-IBGZPJMESA-N 1 0 375.476 3.229 20 30 GGEDRO C[NH+]=C(NCc1cccc(C(=O)N(C)C)c1)N(C)Cc1c(F)cccc1Cl ZINC000262580007 1433944424 /nfs/dbraw/zinc/94/44/24/1433944424.db2.gz QBUBGBBMMBAEEG-UHFFFAOYSA-N 1 0 390.890 3.388 20 30 GGEDRO CCOC(=O)C1CCN(C(NCc2nc3cc(Cl)ccc3s2)=[NH+]C)CC1 ZINC000262583466 1433944843 /nfs/dbraw/zinc/94/48/43/1433944843.db2.gz RNIPVQXXDXNPJL-UHFFFAOYSA-N 1 0 394.928 3.300 20 30 GGEDRO C[NH+]=C(NCc1csc(Br)c1)NCc1ccc2c(c1)OCO2 ZINC000262618714 1433946527 /nfs/dbraw/zinc/94/65/27/1433946527.db2.gz HNZYLVHOXYEUQG-UHFFFAOYSA-N 1 0 382.283 3.105 20 30 GGEDRO C[NH+]=C(NCc1c(C)nn(-c2ccccc2)c1C)NCc1ccc2c(c1)OCO2 ZINC000262636256 1433947103 /nfs/dbraw/zinc/94/71/03/1433947103.db2.gz PJBNJKOYTQGBHX-UHFFFAOYSA-N 1 0 391.475 3.083 20 30 GGEDRO CC[NH+]=C(NCc1cccc(N2CC=CC2)c1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262678173 1433949827 /nfs/dbraw/zinc/94/98/27/1433949827.db2.gz RXHOVDZBEOXUIW-PWRODBHTSA-N 1 0 382.552 3.322 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2Br)CC1)N1CC[C@H](COC)C1 ZINC000262692335 1433950391 /nfs/dbraw/zinc/95/03/91/1433950391.db2.gz WIGDHRKMGFDDTG-AWEZNQCLSA-N 1 0 380.330 3.024 20 30 GGEDRO C[C@@H]1C[C@H]([NH+]=C(NCCc2ccco2)N[C@H]2CCc3ccccc3C2)CCO1 ZINC000262700787 1433950750 /nfs/dbraw/zinc/95/07/50/1433950750.db2.gz YVVMOFCHFJPMNY-JRGCBEDISA-N 1 0 381.520 3.482 20 30 GGEDRO C[C@@H]1C[C@H]([NH+]=C(NCCc2ccco2)N[C@@H]2CCc3ccccc3C2)CCO1 ZINC000262700786 1433950893 /nfs/dbraw/zinc/95/08/93/1433950893.db2.gz YVVMOFCHFJPMNY-DUXKGJEZSA-N 1 0 381.520 3.482 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CCN(Cc2cccs2)CC1 ZINC000262762089 1433954206 /nfs/dbraw/zinc/95/42/06/1433954206.db2.gz GHJZVIGMNHPXAW-UHFFFAOYSA-N 1 0 395.532 3.296 20 30 GGEDRO CC[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262768459 1433954823 /nfs/dbraw/zinc/95/48/23/1433954823.db2.gz HVWBRTJGXCTHFF-IOMROCGXSA-N 1 0 395.551 3.169 20 30 GGEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@H](C)c1cc2ccccc2o1 ZINC000262786417 1433955882 /nfs/dbraw/zinc/95/58/82/1433955882.db2.gz MTBUJKZAYARFRY-GDBMZVCRSA-N 1 0 380.496 3.211 20 30 GGEDRO C[NH+]=C(NCc1cccc(CO)c1)N(C)Cc1ccc(Br)s1 ZINC000262791188 1433956177 /nfs/dbraw/zinc/95/61/77/1433956177.db2.gz OCNWGSLHUCUGJY-UHFFFAOYSA-N 1 0 382.327 3.210 20 30 GGEDRO CC[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@@H]1CCOc2ccccc21 ZINC000262807831 1433957657 /nfs/dbraw/zinc/95/76/57/1433957657.db2.gz UDCVYUJQPYMHJG-CQSZACIVSA-N 1 0 381.402 3.018 20 30 GGEDRO CC[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@H]1CCOc2ccccc21 ZINC000262807829 1433957854 /nfs/dbraw/zinc/95/78/54/1433957854.db2.gz UDCVYUJQPYMHJG-AWEZNQCLSA-N 1 0 381.402 3.018 20 30 GGEDRO CC[NH+]=C(NCc1ccc(Br)s1)NCc1c(C)nn(C)c1C ZINC000262850689 1433961137 /nfs/dbraw/zinc/96/11/37/1433961137.db2.gz WTYLSDOAEPHQGS-UHFFFAOYSA-N 1 0 384.347 3.116 20 30 GGEDRO [NH2+]=C(NCCc1cc(C(F)(F)F)ccn1)Nc1ccc2c(c1)OCCCO2 ZINC000263049420 1433980147 /nfs/dbraw/zinc/98/01/47/1433980147.db2.gz DGLZYFYUHNSALI-UHFFFAOYSA-N 1 0 380.370 3.231 20 30 GGEDRO CC(C)c1cccc(NC(=[NH2+])NCCn2cc(Br)ccc2=O)c1 ZINC000263155080 1433990762 /nfs/dbraw/zinc/99/07/62/1433990762.db2.gz PWNWHZPGTSWUIX-UHFFFAOYSA-N 1 0 377.286 3.161 20 30 GGEDRO C[NH+]=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)N1CCc2ccccc21 ZINC000263233933 1433997393 /nfs/dbraw/zinc/99/73/93/1433997393.db2.gz IVYUNNDKPHPETK-UHFFFAOYSA-N 1 0 393.487 3.102 20 30 GGEDRO [NH2+]=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)N[C@@H]1CCOc2ccccc21 ZINC000263246936 1433997973 /nfs/dbraw/zinc/99/79/73/1433997973.db2.gz HYVZJMZRMBOZFG-KJXAQDMKSA-N 1 0 397.494 3.328 20 30 GGEDRO [NH2+]=C(NC[C@H]1CSCCN1Cc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000263245932 1433998024 /nfs/dbraw/zinc/99/80/24/1433998024.db2.gz HQGFSZSSDXVABC-ICSRJNTNSA-N 1 0 396.560 3.032 20 30 GGEDRO C[NH+]=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)N(C)Cc1ccccc1 ZINC000263273841 1433999939 /nfs/dbraw/zinc/99/99/39/1433999939.db2.gz XUBKWZOXIHRLAE-UHFFFAOYSA-N 1 0 395.503 3.171 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C(C)C ZINC000263679639 1434019678 /nfs/dbraw/zinc/01/96/78/1434019678.db2.gz KPJHXRGQFMQPHS-FQEVSTJZSA-N 1 0 384.524 3.023 20 30 GGEDRO C[C@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000263797781 1434035223 /nfs/dbraw/zinc/03/52/23/1434035223.db2.gz ZUDPUZJMYAHLOC-KSZLIROESA-N 1 0 384.524 3.150 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[NH+]2CCCC2)o1 ZINC000263840973 1434040254 /nfs/dbraw/zinc/04/02/54/1434040254.db2.gz WTZILZKUSAXXQN-IBGZPJMESA-N 1 0 396.491 3.063 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000263950190 1434052389 /nfs/dbraw/zinc/05/23/89/1434052389.db2.gz DKFBXRJHQAEMES-IBGZPJMESA-N 1 0 384.524 3.094 20 30 GGEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000263966721 1434054712 /nfs/dbraw/zinc/05/47/12/1434054712.db2.gz NKDVBUMOMKRACY-HXUWFJFHSA-N 1 0 398.551 3.342 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2cccc(NC(=O)C3CCC3)c2)cc1OC ZINC000264056184 1434067292 /nfs/dbraw/zinc/06/72/92/1434067292.db2.gz AVRNJKMKNDJNKT-UHFFFAOYSA-N 1 0 382.464 3.369 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2ccc(N3CCCCCC3)nc2)cc1OC ZINC000264066244 1434068441 /nfs/dbraw/zinc/06/84/41/1434068441.db2.gz FGIOPSKHNNKYMP-UHFFFAOYSA-N 1 0 383.496 3.406 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1OC ZINC000264075581 1434069384 /nfs/dbraw/zinc/06/93/84/1434069384.db2.gz FOPHSUBJTCLIFT-GHTZIAJQSA-N 1 0 383.492 3.276 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NC[C@H]2CCCO[C@H]2c2ccccc2)cc1OC ZINC000264075583 1434069487 /nfs/dbraw/zinc/06/94/87/1434069487.db2.gz FOPHSUBJTCLIFT-NQIIRXRSSA-N 1 0 383.492 3.276 20 30 GGEDRO CN(C(=O)CSc1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000264081645 1434070139 /nfs/dbraw/zinc/07/01/39/1434070139.db2.gz FWYUMAFTLNPEJQ-UHFFFAOYSA-N 1 0 394.544 3.211 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2cccc(NC(=O)N3CCCC3)c2)cc1OC ZINC000264091913 1434071037 /nfs/dbraw/zinc/07/10/37/1434071037.db2.gz LHDWHAYTPRPQLA-UHFFFAOYSA-N 1 0 397.479 3.258 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCC2(c3ccccc3C)CCOCC2)cc1OC ZINC000264106802 1434072185 /nfs/dbraw/zinc/07/21/85/1434072185.db2.gz PTQMYVDRZBKKBS-UHFFFAOYSA-N 1 0 397.519 3.165 20 30 GGEDRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c1 ZINC000264112614 1434072779 /nfs/dbraw/zinc/07/27/79/1434072779.db2.gz RLMNHMGABZGLHD-OAHLLOKOSA-N 1 0 398.507 3.293 20 30 GGEDRO CCOCCOCc1cccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1 ZINC000264117700 1434073089 /nfs/dbraw/zinc/07/30/89/1434073089.db2.gz TWKFMAMZHGHJMS-UHFFFAOYSA-N 1 0 387.480 3.184 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000264161612 1434077030 /nfs/dbraw/zinc/07/70/30/1434077030.db2.gz JKYBIJZUKLJSND-UHFFFAOYSA-N 1 0 396.466 3.386 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000264183726 1434078918 /nfs/dbraw/zinc/07/89/18/1434078918.db2.gz MRSGREPRDDGQNZ-UHFFFAOYSA-N 1 0 394.475 3.090 20 30 GGEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cccc(C#N)c3)CC2)c1C ZINC000264185661 1434079336 /nfs/dbraw/zinc/07/93/36/1434079336.db2.gz ZWPMOUCDFHXPGP-UHFFFAOYSA-N 1 0 392.503 3.315 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264186282 1434079582 /nfs/dbraw/zinc/07/95/82/1434079582.db2.gz AFRDENORZAMAAA-WIYYLYMNSA-N 1 0 377.488 3.006 20 30 GGEDRO COc1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1OCCCC#N ZINC000264232535 1434085320 /nfs/dbraw/zinc/08/53/20/1434085320.db2.gz CGJOBUKXJCNVNZ-UHFFFAOYSA-N 1 0 377.485 3.382 20 30 GGEDRO COc1ccc(C#N)cc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000264284605 1434092285 /nfs/dbraw/zinc/09/22/85/1434092285.db2.gz RVSIUXNLDZKMGM-UHFFFAOYSA-N 1 0 393.491 3.133 20 30 GGEDRO N#CCOc1ccc(/C=C/C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000264301703 1434094579 /nfs/dbraw/zinc/09/45/79/1434094579.db2.gz MCGISFZZNUTHEE-YVWYTEFXSA-N 1 0 389.499 3.283 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000264360330 1434102187 /nfs/dbraw/zinc/10/21/87/1434102187.db2.gz HJXUXXQHXPFLHM-HDICACEKSA-N 1 0 386.540 3.462 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000264412298 1434109246 /nfs/dbraw/zinc/10/92/46/1434109246.db2.gz OWVULVDSUIFTID-GOSISDBHSA-N 1 0 387.915 3.113 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1 ZINC000264414032 1434109509 /nfs/dbraw/zinc/10/95/09/1434109509.db2.gz RRCYJSPBJSJPBL-UHFFFAOYSA-N 1 0 384.524 3.361 20 30 GGEDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000264426791 1434111242 /nfs/dbraw/zinc/11/12/42/1434111242.db2.gz ABLBRZVJMOHBFR-QGZVFWFLSA-N 1 0 381.501 3.160 20 30 GGEDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000264449731 1434114230 /nfs/dbraw/zinc/11/42/30/1434114230.db2.gz CSDHUGWRGKKKHV-LJQANCHMSA-N 1 0 395.528 3.301 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264458429 1434115496 /nfs/dbraw/zinc/11/54/96/1434115496.db2.gz XGCRNBRMBPDOJT-UHFFFAOYSA-N 1 0 384.524 3.125 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2C#N)cc1OC ZINC000264463751 1434116045 /nfs/dbraw/zinc/11/60/45/1434116045.db2.gz LEAGJCSDQPRGFS-UHFFFAOYSA-N 1 0 399.451 3.203 20 30 GGEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000264488143 1434119400 /nfs/dbraw/zinc/11/94/00/1434119400.db2.gz XXJGSOKZXRVJRA-KRWDZBQOSA-N 1 0 394.544 3.075 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(CSCCC(=O)OC)c2)CC1 ZINC000264500066 1434120808 /nfs/dbraw/zinc/12/08/08/1434120808.db2.gz XEGNABWLRQJZMD-UHFFFAOYSA-N 1 0 391.537 3.255 20 30 GGEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2SCCC#N)CCCCC1 ZINC000264500348 1434120875 /nfs/dbraw/zinc/12/08/75/1434120875.db2.gz CLYSAZLOOOEZBV-UHFFFAOYSA-N 1 0 388.537 3.012 20 30 GGEDRO CC(C)CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC[NH+](C)CC1 ZINC000264559747 1434128039 /nfs/dbraw/zinc/12/80/39/1434128039.db2.gz NDYWQRYRLLIYGY-UHFFFAOYSA-N 1 0 398.551 3.292 20 30 GGEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000264645884 1434139489 /nfs/dbraw/zinc/13/94/89/1434139489.db2.gz FLKSKLCAPARYGA-UHFFFAOYSA-N 1 0 395.503 3.168 20 30 GGEDRO N#CCOc1ccc(CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000264691329 1434144346 /nfs/dbraw/zinc/14/43/46/1434144346.db2.gz RGMNQKQBJQDCAK-UHFFFAOYSA-N 1 0 389.499 3.181 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)[NH+]2CCCC2)c1 ZINC000264790797 1434155185 /nfs/dbraw/zinc/15/51/85/1434155185.db2.gz SKKYHPGKUVJXRL-JOCHJYFZSA-N 1 0 393.487 3.093 20 30 GGEDRO COc1ccc(C[NH2+]CCCNC(=O)c2ccc(F)cc2)cc1OCCCC#N ZINC000264798243 1434155734 /nfs/dbraw/zinc/15/57/34/1434155734.db2.gz ZCDFJWHYOLPUTJ-UHFFFAOYSA-N 1 0 399.466 3.427 20 30 GGEDRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000264808805 1434156790 /nfs/dbraw/zinc/15/67/90/1434156790.db2.gz ZIZQYDSHJDCIMU-UHFFFAOYSA-N 1 0 390.553 3.259 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000264835754 1434158613 /nfs/dbraw/zinc/15/86/13/1434158613.db2.gz HJRRFXDPFDSWJI-FQEVSTJZSA-N 1 0 378.451 3.061 20 30 GGEDRO C[C@H](Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)C(=O)N(C)CCC#N ZINC000264864762 1434160529 /nfs/dbraw/zinc/16/05/29/1434160529.db2.gz MUUJLFOYCKSZIW-SFHVURJKSA-N 1 0 399.539 3.064 20 30 GGEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000264944892 1434166462 /nfs/dbraw/zinc/16/64/62/1434166462.db2.gz IDEJGGWCJMKUTC-KRWDZBQOSA-N 1 0 384.501 3.089 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264959716 1434168093 /nfs/dbraw/zinc/16/80/93/1434168093.db2.gz NECLVSYHKRWCAF-UHFFFAOYSA-N 1 0 390.487 3.123 20 30 GGEDRO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)c1cn(CCC#N)c3ccccc13)CC2 ZINC000265044476 1434178045 /nfs/dbraw/zinc/17/80/45/1434178045.db2.gz KKXGZIWQQMKHIK-SFHVURJKSA-N 1 0 379.460 3.013 20 30 GGEDRO C[NH+](C)C1(CNc2c(C#N)cnc3ccc(OC(F)F)cc32)CCOCC1 ZINC000265101367 1434184884 /nfs/dbraw/zinc/18/48/84/1434184884.db2.gz XQMDFPUPAHIPBF-UHFFFAOYSA-N 1 0 376.407 3.231 20 30 GGEDRO N#C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000265122638 1434187377 /nfs/dbraw/zinc/18/73/77/1434187377.db2.gz HNJHASCMZUEBCE-QHCPKHFHSA-N 1 0 388.515 3.133 20 30 GGEDRO N#Cc1ccc(N2CC[C@@H]([NH2+]CC3(c4ccc(F)cc4)CCOCC3)C2=O)cc1 ZINC000265146455 1434190358 /nfs/dbraw/zinc/19/03/58/1434190358.db2.gz KHQFWCLTODGYNJ-OAQYLSRUSA-N 1 0 393.462 3.141 20 30 GGEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cc1OC ZINC000265150027 1434190617 /nfs/dbraw/zinc/19/06/17/1434190617.db2.gz BEABIFRPIDSHHW-IEBWSBKVSA-N 1 0 390.524 3.127 20 30 GGEDRO C[C@@H]1C[NH+](CC2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C[C@@H](C)O1 ZINC000265162195 1434192227 /nfs/dbraw/zinc/19/22/27/1434192227.db2.gz FBPPNEFTGNNBSL-ZIAGYGMSSA-N 1 0 382.430 3.298 20 30 GGEDRO COC1CCC([N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000265236811 1434205028 /nfs/dbraw/zinc/20/50/28/1434205028.db2.gz SDYHHQYNQGYWGA-UHFFFAOYSA-N 1 0 382.426 3.063 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CC1 ZINC000265241719 1434205708 /nfs/dbraw/zinc/20/57/08/1434205708.db2.gz YHZSOBSTZMWDKS-MUUNZHRXSA-N 1 0 394.540 3.419 20 30 GGEDRO C[NH+](C)CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(C)(C)C ZINC000265386025 1434227587 /nfs/dbraw/zinc/22/75/87/1434227587.db2.gz SFQCDXQANOYCEA-LJQANCHMSA-N 1 0 386.540 3.196 20 30 GGEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000265560243 1434245863 /nfs/dbraw/zinc/24/58/63/1434245863.db2.gz NITLVVVLJNNUFO-AWEZNQCLSA-N 1 0 398.894 3.396 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)CC1 ZINC000265643994 1434252787 /nfs/dbraw/zinc/25/27/87/1434252787.db2.gz SMWQMFWOIXJIER-ROUUACIJSA-N 1 0 389.496 3.017 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265656119 1434253773 /nfs/dbraw/zinc/25/37/73/1434253773.db2.gz QKYILPDTKMAEAE-IBGZPJMESA-N 1 0 398.551 3.281 20 30 GGEDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265841831 1434271342 /nfs/dbraw/zinc/27/13/42/1434271342.db2.gz NZUOSVKQOOQGAW-RDJZCZTQSA-N 1 0 386.496 3.122 20 30 GGEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265841829 1434271404 /nfs/dbraw/zinc/27/14/04/1434271404.db2.gz NZUOSVKQOOQGAW-NVXWUHKLSA-N 1 0 386.496 3.122 20 30 GGEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265841834 1434271538 /nfs/dbraw/zinc/27/15/38/1434271538.db2.gz NZUOSVKQOOQGAW-WBVHZDCISA-N 1 0 386.496 3.122 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)cc1 ZINC000265867790 1434275128 /nfs/dbraw/zinc/27/51/28/1434275128.db2.gz LQIMYKPZWOZLKU-UHFFFAOYSA-N 1 0 382.483 3.302 20 30 GGEDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265876425 1434276856 /nfs/dbraw/zinc/27/68/56/1434276856.db2.gz WZBIIPDZAUESTE-MAUKXSAKSA-N 1 0 386.496 3.122 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000265900797 1434280303 /nfs/dbraw/zinc/28/03/03/1434280303.db2.gz ACEXQXATWMUIBX-UHFFFAOYSA-N 1 0 393.553 3.218 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC3(CCOCC3)C2)c(OC)c1 ZINC000265985620 1434292468 /nfs/dbraw/zinc/29/24/68/1434292468.db2.gz CXAWTXVQZDDEPB-LJQANCHMSA-N 1 0 375.509 3.056 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(OCCCOC)CC1 ZINC000265998610 1434294905 /nfs/dbraw/zinc/29/49/05/1434294905.db2.gz MYYXFXXGFNNEBP-QGZVFWFLSA-N 1 0 380.554 3.169 20 30 GGEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)s2)cc1 ZINC000266437750 1434336758 /nfs/dbraw/zinc/33/67/58/1434336758.db2.gz ZGWPVPSJXZSVNE-KRWDZBQOSA-N 1 0 379.489 3.084 20 30 GGEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000266576214 1434350945 /nfs/dbraw/zinc/35/09/45/1434350945.db2.gz YYJNMGCIBFGHDR-KRWDZBQOSA-N 1 0 383.521 3.411 20 30 GGEDRO Cc1nnc(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2)o1 ZINC000266797994 1434376397 /nfs/dbraw/zinc/37/63/97/1434376397.db2.gz YCWAVJSDDPHHJU-UHFFFAOYSA-N 1 0 389.459 3.121 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCc4c3cccc4O)CC2)cc1 ZINC000266834575 1434380293 /nfs/dbraw/zinc/38/02/93/1434380293.db2.gz UAZIYLKSVQMUTQ-OAQYLSRUSA-N 1 0 390.487 3.169 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OCC#N)cc1 ZINC000266840209 1434380803 /nfs/dbraw/zinc/38/08/03/1434380803.db2.gz GPFQUVKVMQHVFO-HZPDHXFCSA-N 1 0 387.505 3.251 20 30 GGEDRO CC(C)OCC[NH+]1CCC(NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000266961290 1434393357 /nfs/dbraw/zinc/39/33/57/1434393357.db2.gz CNUNVIAOXOXHNS-UHFFFAOYSA-N 1 0 387.524 3.113 20 30 GGEDRO COc1cc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000266988402 1434396429 /nfs/dbraw/zinc/39/64/29/1434396429.db2.gz SBBQFXBHDJHWBS-UHFFFAOYSA-N 1 0 397.397 3.336 20 30 GGEDRO C[NH+]1CCC(O)(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000267093208 1434406971 /nfs/dbraw/zinc/40/69/71/1434406971.db2.gz KOGLBWZGXLSILY-UHFFFAOYSA-N 1 0 395.528 3.037 20 30 GGEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[NH+](C2CCOCC2)CC1 ZINC000267099130 1434407457 /nfs/dbraw/zinc/40/74/57/1434407457.db2.gz WJNQRRIJYQOURG-UHFFFAOYSA-N 1 0 388.418 3.009 20 30 GGEDRO CCOc1ccccc1NC(=O)[C@@H](C)O/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000267266380 1434418071 /nfs/dbraw/zinc/41/80/71/1434418071.db2.gz YIUSTCCQKOQVKU-BXDFRRGMSA-N 1 0 397.475 3.300 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000267280133 1434418953 /nfs/dbraw/zinc/41/89/53/1434418953.db2.gz GRGSKJFVASNVGW-MRXNPFEDSA-N 1 0 389.569 3.228 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000267310996 1434421716 /nfs/dbraw/zinc/42/17/16/1434421716.db2.gz IEPYKJPIXVQXPO-XMSQKQJNSA-N 1 0 392.503 3.299 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000267408428 1434429884 /nfs/dbraw/zinc/42/98/84/1434429884.db2.gz HNZVZBLQRHZROW-CQSZACIVSA-N 1 0 392.500 3.078 20 30 GGEDRO COc1cc(OC)cc([C@H](O)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000267433854 1434432443 /nfs/dbraw/zinc/43/24/43/1434432443.db2.gz NDQTXVORUMAIIX-MRXNPFEDSA-N 1 0 399.369 3.063 20 30 GGEDRO COc1cc(/C=C/C(=O)NCC2CC[NH+](CCC(C)C)CC2)ccc1OCC#N ZINC000267481042 1434438784 /nfs/dbraw/zinc/43/87/84/1434438784.db2.gz JCPYNNCSLWMDPN-FNORWQNLSA-N 1 0 399.535 3.485 20 30 GGEDRO Cc1nc2ccccc2n1CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000267498745 1434441217 /nfs/dbraw/zinc/44/12/17/1434441217.db2.gz GKBDYEDGXVZJNS-UHFFFAOYSA-N 1 0 379.464 3.132 20 30 GGEDRO CC(C)[C@@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000267667921 1434454005 /nfs/dbraw/zinc/45/40/05/1434454005.db2.gz ZOXKJRJZGVQGTF-JOCHJYFZSA-N 1 0 391.519 3.220 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1csc([C@@H](C)OC)n1)C(C)C ZINC000267732092 1434459255 /nfs/dbraw/zinc/45/92/55/1434459255.db2.gz ADTRXUMAIZPKPQ-NVXWUHKLSA-N 1 0 380.558 3.348 20 30 GGEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(OC[C@@H]2CCCO2)c1 ZINC000267945536 1434479978 /nfs/dbraw/zinc/47/99/78/1434479978.db2.gz RORNERKWSZFPKW-SFHVURJKSA-N 1 0 388.512 3.252 20 30 GGEDRO COCCCOc1cc(C)ccc1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000267947596 1434480176 /nfs/dbraw/zinc/48/01/76/1434480176.db2.gz WWUPPJXHIKKWBB-UHFFFAOYSA-N 1 0 387.480 3.354 20 30 GGEDRO CC(C)OC(=O)NCc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000267961493 1434481483 /nfs/dbraw/zinc/48/14/83/1434481483.db2.gz XBPHNMDZIALQCA-UHFFFAOYSA-N 1 0 389.500 3.020 20 30 GGEDRO C[C@H]1C[NH+](CCCCNC(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000268010547 1434486726 /nfs/dbraw/zinc/48/67/26/1434486726.db2.gz PFOMKCZSXWGLGQ-OALUTQOASA-N 1 0 387.524 3.113 20 30 GGEDRO CCc1nnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c(C#N)c1CC ZINC000268157681 1434498511 /nfs/dbraw/zinc/49/85/11/1434498511.db2.gz GIPSTKHAAPGBJJ-GFCCVEGCSA-N 1 0 383.525 3.018 20 30 GGEDRO CCc1nnc(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)c(C#N)c1CC ZINC000268223813 1434503299 /nfs/dbraw/zinc/50/32/99/1434503299.db2.gz SUSDIQMWCGOJEP-UHFFFAOYSA-N 1 0 385.541 3.264 20 30 GGEDRO CC1(C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)OCCO1 ZINC000268460390 1434524638 /nfs/dbraw/zinc/52/46/38/1434524638.db2.gz KMTRNQIZDKOBHZ-UHFFFAOYSA-N 1 0 377.872 3.015 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000268533558 1434530764 /nfs/dbraw/zinc/53/07/64/1434530764.db2.gz XUTTWPGHXXKCFP-GJZGRUSLSA-N 1 0 381.436 3.083 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000268533550 1434530792 /nfs/dbraw/zinc/53/07/92/1434530792.db2.gz XUTTWPGHXXKCFP-GASCZTMLSA-N 1 0 381.436 3.083 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000268533565 1434530830 /nfs/dbraw/zinc/53/08/30/1434530830.db2.gz XUTTWPGHXXKCFP-HUUCEWRRSA-N 1 0 381.436 3.083 20 30 GGEDRO COCCC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCCC1 ZINC000268581682 1434536469 /nfs/dbraw/zinc/53/64/69/1434536469.db2.gz YDJDVQZLSMPUEM-UHFFFAOYSA-N 1 0 386.540 3.228 20 30 GGEDRO CN(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268593536 1434537826 /nfs/dbraw/zinc/53/78/26/1434537826.db2.gz SNTWIAJBHULPRS-ZRFOIIEFSA-N 1 0 375.472 3.335 20 30 GGEDRO CN(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268593534 1434537895 /nfs/dbraw/zinc/53/78/95/1434537895.db2.gz SNTWIAJBHULPRS-VZOQVYJPSA-N 1 0 375.472 3.335 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)CSc3ccc(C#N)cc3)nc2)CC1 ZINC000268697297 1434548411 /nfs/dbraw/zinc/54/84/11/1434548411.db2.gz GFLJBZKUOLWZQG-UHFFFAOYSA-N 1 0 395.532 3.214 20 30 GGEDRO C=CCOc1ccccc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000268791799 1434557632 /nfs/dbraw/zinc/55/76/32/1434557632.db2.gz WZNAPASFNPDYBK-UHFFFAOYSA-N 1 0 380.492 3.429 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)cc1 ZINC000268850680 1434564467 /nfs/dbraw/zinc/56/44/67/1434564467.db2.gz QMLXKNQYKLNLJV-IBGZPJMESA-N 1 0 391.515 3.218 20 30 GGEDRO N#Cc1ccnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268889421 1434567803 /nfs/dbraw/zinc/56/78/03/1434567803.db2.gz XWNWALKXRCJFNN-RBUKOAKNSA-N 1 0 377.448 3.352 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c(Cl)c1 ZINC000269083985 1434589752 /nfs/dbraw/zinc/58/97/52/1434589752.db2.gz IPAGWLBRXSGBKR-LJQANCHMSA-N 1 0 396.878 3.103 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C(F)(F)F ZINC000269118891 1434594212 /nfs/dbraw/zinc/59/42/12/1434594212.db2.gz IZRPPPLHIFJYET-IRXDYDNUSA-N 1 0 396.413 3.076 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269130778 1434595706 /nfs/dbraw/zinc/59/57/06/1434595706.db2.gz VLMVDLAKYDQRHM-GJZGRUSLSA-N 1 0 390.915 3.024 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269130777 1434595739 /nfs/dbraw/zinc/59/57/39/1434595739.db2.gz VLMVDLAKYDQRHM-GASCZTMLSA-N 1 0 390.915 3.024 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000269132622 1434595747 /nfs/dbraw/zinc/59/57/47/1434595747.db2.gz LQMAUQYXBJAQBC-RHSMWYFYSA-N 1 0 378.904 3.470 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ncnc3sc(C)cc32)CC1 ZINC000269324272 1434624067 /nfs/dbraw/zinc/62/40/67/1434624067.db2.gz USCDGKBNYKHWEB-GOSISDBHSA-N 1 0 399.564 3.125 20 30 GGEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000269387315 1434635967 /nfs/dbraw/zinc/63/59/67/1434635967.db2.gz KYRYKWHVMGZBNG-UHFFFAOYSA-N 1 0 389.931 3.234 20 30 GGEDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269458185 1434648876 /nfs/dbraw/zinc/64/88/76/1434648876.db2.gz XIPSKPVOJXIJPI-UHFFFAOYSA-N 1 0 381.451 3.029 20 30 GGEDRO COc1ccc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc1OCCCC#N ZINC000269524981 1434656250 /nfs/dbraw/zinc/65/62/50/1434656250.db2.gz UHWKRUKWYGOTNI-UHFFFAOYSA-N 1 0 375.513 3.408 20 30 GGEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000269584668 1434661169 /nfs/dbraw/zinc/66/11/69/1434661169.db2.gz MFNUCKXXASYYGQ-MRXNPFEDSA-N 1 0 379.464 3.331 20 30 GGEDRO COc1ccc(OC)c([C@H](O)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000269613170 1434663543 /nfs/dbraw/zinc/66/35/43/1434663543.db2.gz KQLLNODQJBZLAH-CQSZACIVSA-N 1 0 399.369 3.063 20 30 GGEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)CC1 ZINC000269624757 1434664631 /nfs/dbraw/zinc/66/46/31/1434664631.db2.gz RNPMIMCIJJIPQK-QFIPXVFZSA-N 1 0 397.567 3.231 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)CC1 ZINC000269857454 1434681911 /nfs/dbraw/zinc/68/19/11/1434681911.db2.gz SRIFPOXUCZBOSW-UHFFFAOYSA-N 1 0 385.468 3.289 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000269866373 1434682621 /nfs/dbraw/zinc/68/26/21/1434682621.db2.gz WNOKZQDTDSAJCS-KBXCAEBGSA-N 1 0 385.468 3.075 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000269866380 1434682627 /nfs/dbraw/zinc/68/26/27/1434682627.db2.gz WNOKZQDTDSAJCS-KSSFIOAISA-N 1 0 385.468 3.075 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(SCCC(=O)OC)c2)CC1 ZINC000270136480 1434706643 /nfs/dbraw/zinc/70/66/43/1434706643.db2.gz KNWCKOLQBJEDQI-UHFFFAOYSA-N 1 0 377.510 3.114 20 30 GGEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C2)CC1 ZINC000270239009 1434715765 /nfs/dbraw/zinc/71/57/65/1434715765.db2.gz REUSWCCLSCOACI-OAHLLOKOSA-N 1 0 378.423 3.355 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1O2 ZINC000270248119 1434716525 /nfs/dbraw/zinc/71/65/25/1434716525.db2.gz LXRHPGQMKJCFSO-HXUWFJFHSA-N 1 0 375.472 3.471 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1O2 ZINC000270248113 1434716528 /nfs/dbraw/zinc/71/65/28/1434716528.db2.gz LXRHPGQMKJCFSO-FQEVSTJZSA-N 1 0 375.472 3.471 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000270252752 1434716989 /nfs/dbraw/zinc/71/69/89/1434716989.db2.gz VIYSPHJMRPGYRP-UHFFFAOYSA-N 1 0 378.476 3.077 20 30 GGEDRO N#CCc1ccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000270277595 1434718889 /nfs/dbraw/zinc/71/88/89/1434718889.db2.gz TUXLWLLXLRYAKN-UHFFFAOYSA-N 1 0 376.504 3.085 20 30 GGEDRO C#CC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000270510619 1434740187 /nfs/dbraw/zinc/74/01/87/1434740187.db2.gz RNRVFCSMFLLSFD-QHCPKHFHSA-N 1 0 391.515 3.207 20 30 GGEDRO N#Cc1cc2c(nc1NCc1ccccc1C[NH+]1CCC(O)CC1)CCCC2 ZINC000270876396 1434784447 /nfs/dbraw/zinc/78/44/47/1434784447.db2.gz CTQMNMPNJQHCQF-UHFFFAOYSA-N 1 0 376.504 3.401 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000270951220 1434790518 /nfs/dbraw/zinc/79/05/18/1434790518.db2.gz XMNKKPTZJASPHZ-VQTJNVASSA-N 1 0 386.540 3.225 20 30 GGEDRO COc1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1OCCCC#N ZINC000271025943 1434796863 /nfs/dbraw/zinc/79/68/63/1434796863.db2.gz DMFVYPDJVJPQRM-UHFFFAOYSA-N 1 0 381.476 3.255 20 30 GGEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(OC)c1OC ZINC000271064841 1434799874 /nfs/dbraw/zinc/79/98/74/1434799874.db2.gz CSFCJLUBPSTOGG-UHFFFAOYSA-N 1 0 397.475 3.459 20 30 GGEDRO COc1cc(OC)c(OC)cc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000271063898 1434799900 /nfs/dbraw/zinc/79/99/00/1434799900.db2.gz CAYUOJAUZYRPQV-UHFFFAOYSA-N 1 0 397.475 3.459 20 30 GGEDRO COCOc1ccc(OC)cc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000271088159 1434801180 /nfs/dbraw/zinc/80/11/80/1434801180.db2.gz QQNCIZIZTDNABO-UHFFFAOYSA-N 1 0 397.475 3.424 20 30 GGEDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000271149268 1434804817 /nfs/dbraw/zinc/80/48/17/1434804817.db2.gz AJIIKEKNCPJWBW-UHFFFAOYSA-N 1 0 383.492 3.048 20 30 GGEDRO COCCOc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000271190896 1434807208 /nfs/dbraw/zinc/80/72/08/1434807208.db2.gz RZDSEWBQTYEUGC-UHFFFAOYSA-N 1 0 393.487 3.434 20 30 GGEDRO C[C@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000271189172 1434807282 /nfs/dbraw/zinc/80/72/82/1434807282.db2.gz LHXKZLSPUMJYEQ-HXUWFJFHSA-N 1 0 375.538 3.454 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@]2(C)CCCO)c1C#N ZINC000271204129 1434807915 /nfs/dbraw/zinc/80/79/15/1434807915.db2.gz RPPSQSZFZVNNNA-JOCHJYFZSA-N 1 0 398.507 3.183 20 30 GGEDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)[nH]1 ZINC000271254480 1434811117 /nfs/dbraw/zinc/81/11/17/1434811117.db2.gz FLZCMWPWOACYFI-GOSISDBHSA-N 1 0 375.480 3.270 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCc1cnccn1 ZINC000271396360 1434821555 /nfs/dbraw/zinc/82/15/55/1434821555.db2.gz WGTIYYRLAQSJEX-UHFFFAOYSA-N 1 0 383.521 3.182 20 30 GGEDRO C#CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000271426661 1434823971 /nfs/dbraw/zinc/82/39/71/1434823971.db2.gz COUNNFXFSVUPGA-XMSQKQJNSA-N 1 0 398.528 3.123 20 30 GGEDRO C#CC[C@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000271435098 1434824507 /nfs/dbraw/zinc/82/45/07/1434824507.db2.gz QJYORHYKHHXBFO-QFIPXVFZSA-N 1 0 389.499 3.144 20 30 GGEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c(OC)c1 ZINC000271435832 1434824564 /nfs/dbraw/zinc/82/45/64/1434824564.db2.gz FMTMXPMTEHGFKN-OAHLLOKOSA-N 1 0 383.448 3.113 20 30 GGEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000271434077 1434824608 /nfs/dbraw/zinc/82/46/08/1434824608.db2.gz FHCKGJPNWFESCZ-HNNXBMFYSA-N 1 0 383.448 3.113 20 30 GGEDRO C[C@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000271446974 1434825434 /nfs/dbraw/zinc/82/54/34/1434825434.db2.gz RRXBGNUONHNZMC-KRWDZBQOSA-N 1 0 390.487 3.012 20 30 GGEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000271457855 1434826396 /nfs/dbraw/zinc/82/63/96/1434826396.db2.gz HABPLSOUVBGWFK-PGRDOPGGSA-N 1 0 398.528 3.123 20 30 GGEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271536580 1434832866 /nfs/dbraw/zinc/83/28/66/1434832866.db2.gz XOTLBEJKYOCOMM-CYBMUJFWSA-N 1 0 380.416 3.436 20 30 GGEDRO CCC[N@H+](CCC(=O)N(C)CCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000271552448 1434834187 /nfs/dbraw/zinc/83/41/87/1434834187.db2.gz NBLYLIVCRMCTDP-UHFFFAOYSA-N 1 0 389.887 3.364 20 30 GGEDRO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000271627882 1434840172 /nfs/dbraw/zinc/84/01/72/1434840172.db2.gz DXOMKMZXNZWPGK-INIZCTEOSA-N 1 0 378.476 3.233 20 30 GGEDRO COc1cc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc(OC)c1OC ZINC000271634167 1434840738 /nfs/dbraw/zinc/84/07/38/1434840738.db2.gz BUANOFFHOBILGP-HNNXBMFYSA-N 1 0 389.496 3.048 20 30 GGEDRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000271652240 1434842107 /nfs/dbraw/zinc/84/21/07/1434842107.db2.gz JHMFUKZQAOZFAU-INIZCTEOSA-N 1 0 381.476 3.275 20 30 GGEDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1OCC ZINC000271669299 1434842978 /nfs/dbraw/zinc/84/29/78/1434842978.db2.gz HPLKKHWUZLXSPK-MRXNPFEDSA-N 1 0 381.476 3.323 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000271682982 1434843942 /nfs/dbraw/zinc/84/39/42/1434843942.db2.gz PGIXWHHKQIENRI-KRWDZBQOSA-N 1 0 392.503 3.495 20 30 GGEDRO C#CC[C@H]([NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000271718028 1434845872 /nfs/dbraw/zinc/84/58/72/1434845872.db2.gz POJBYHRWPBGYBV-NRFANRHFSA-N 1 0 384.501 3.163 20 30 GGEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc(OC)c1OC ZINC000271738151 1434847225 /nfs/dbraw/zinc/84/72/25/1434847225.db2.gz ICNVGOWICPDOMY-GFCCVEGCSA-N 1 0 387.436 3.083 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000271783612 1434850241 /nfs/dbraw/zinc/85/02/41/1434850241.db2.gz IJHPTIUTEOICNA-HNNXBMFYSA-N 1 0 381.432 3.253 20 30 GGEDRO COc1cc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)ccc1OCc1ccncc1 ZINC000271789182 1434850763 /nfs/dbraw/zinc/85/07/63/1434850763.db2.gz QFVWMUDUASMDCZ-KRWDZBQOSA-N 1 0 396.491 3.082 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000271825440 1434853101 /nfs/dbraw/zinc/85/31/01/1434853101.db2.gz OJZNARHBEWUAQL-LBPRGKRZSA-N 1 0 382.851 3.020 20 30 GGEDRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000271826643 1434853109 /nfs/dbraw/zinc/85/31/09/1434853109.db2.gz SVSAVQWVDOFRDR-UHFFFAOYSA-N 1 0 390.487 3.258 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000271831082 1434853414 /nfs/dbraw/zinc/85/34/14/1434853414.db2.gz WZCZDBAQHMDANT-CQSZACIVSA-N 1 0 386.448 3.322 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000271831080 1434853479 /nfs/dbraw/zinc/85/34/79/1434853479.db2.gz WZCZDBAQHMDANT-AWEZNQCLSA-N 1 0 386.448 3.322 20 30 GGEDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc(OC)c1OC ZINC000271844726 1434854313 /nfs/dbraw/zinc/85/43/13/1434854313.db2.gz YZZSGCVJLKAUBW-CQSZACIVSA-N 1 0 383.448 3.263 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(C4OCCO4)cc3)CC2)cc1 ZINC000271858472 1434855367 /nfs/dbraw/zinc/85/53/67/1434855367.db2.gz JSTQTILYPFEING-UHFFFAOYSA-N 1 0 377.488 3.358 20 30 GGEDRO COc1ccc2c(c1)OC[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC000271911516 1434858721 /nfs/dbraw/zinc/85/87/21/1434858721.db2.gz YAQROCDQFLRKDI-OAQYLSRUSA-N 1 0 377.488 3.125 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000271931693 1434860074 /nfs/dbraw/zinc/86/00/74/1434860074.db2.gz LKKDIRGLFSYGPV-KGLIPLIRSA-N 1 0 375.469 3.359 20 30 GGEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)ccc1OCC(=O)N(C)C ZINC000271933663 1434860261 /nfs/dbraw/zinc/86/02/61/1434860261.db2.gz JIPCRSZVBCRIQJ-AWEZNQCLSA-N 1 0 385.439 3.024 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271955892 1434861579 /nfs/dbraw/zinc/86/15/79/1434861579.db2.gz PZNKYWCPBSWVDH-QGZVFWFLSA-N 1 0 383.467 3.259 20 30 GGEDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271958940 1434862030 /nfs/dbraw/zinc/86/20/30/1434862030.db2.gz QSDPOMAMPHBFQB-OAHLLOKOSA-N 1 0 389.496 3.376 20 30 GGEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271988008 1434863928 /nfs/dbraw/zinc/86/39/28/1434863928.db2.gz YRELCNHKHIWMNK-HNNXBMFYSA-N 1 0 387.480 3.333 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(N4CCNC4=O)c3)CC2)cc1 ZINC000272005592 1434865306 /nfs/dbraw/zinc/86/53/06/1434865306.db2.gz LHHZBPBZICLDHU-UHFFFAOYSA-N 1 0 375.476 3.164 20 30 GGEDRO Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nn1CCC#N ZINC000272008917 1434865476 /nfs/dbraw/zinc/86/54/76/1434865476.db2.gz AJZCINBWSMCNFZ-MRXNPFEDSA-N 1 0 386.525 3.200 20 30 GGEDRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)nn1CCC#N ZINC000272057652 1434869507 /nfs/dbraw/zinc/86/95/07/1434869507.db2.gz IIINOIHUAYDQLK-UHFFFAOYSA-N 1 0 380.496 3.413 20 30 GGEDRO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1CCC#N ZINC000272081302 1434870831 /nfs/dbraw/zinc/87/08/31/1434870831.db2.gz LQSJZONZMDNQII-LPHOPBHVSA-N 1 0 380.496 3.137 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272090720 1434871752 /nfs/dbraw/zinc/87/17/52/1434871752.db2.gz NBPIKMOLZINHIQ-LJQANCHMSA-N 1 0 395.511 3.019 20 30 GGEDRO Cc1cc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272116679 1434873066 /nfs/dbraw/zinc/87/30/66/1434873066.db2.gz RLIRKZMKAXNIGO-LJQANCHMSA-N 1 0 380.496 3.091 20 30 GGEDRO COc1ccc([C@H](CNC(=O)Nc2cc(C)n(CCC#N)n2)[NH+]2CCCC2)cc1 ZINC000272142442 1434874498 /nfs/dbraw/zinc/87/44/98/1434874498.db2.gz WOMPMWVUTSSVGF-IBGZPJMESA-N 1 0 396.495 3.072 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000272147883 1434874804 /nfs/dbraw/zinc/87/48/04/1434874804.db2.gz BEECKNUZQSLDRV-QHCPKHFHSA-N 1 0 399.498 3.184 20 30 GGEDRO Cc1cc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)nn1CCC#N ZINC000272152778 1434875136 /nfs/dbraw/zinc/87/51/36/1434875136.db2.gz XYJHIIZWJASODB-UHFFFAOYSA-N 1 0 380.496 3.234 20 30 GGEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@H]2C1 ZINC000272273451 1434883196 /nfs/dbraw/zinc/88/31/96/1434883196.db2.gz CREMEFRKTKFXON-WMZOPIPTSA-N 1 0 381.505 3.163 20 30 GGEDRO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000272309324 1434886212 /nfs/dbraw/zinc/88/62/12/1434886212.db2.gz FSASBCHCXXRXPI-ICSRJNTNSA-N 1 0 377.529 3.157 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272363577 1434890605 /nfs/dbraw/zinc/89/06/05/1434890605.db2.gz FSVJRHNYSUTTAU-YLJYHZDGSA-N 1 0 382.508 3.059 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272363575 1434890621 /nfs/dbraw/zinc/89/06/21/1434890621.db2.gz FSVJRHNYSUTTAU-PXNSSMCTSA-N 1 0 382.508 3.059 20 30 GGEDRO C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272471207 1434898693 /nfs/dbraw/zinc/89/86/93/1434898693.db2.gz TUIUMVBYXWMWGW-RXVVDRJESA-N 1 0 392.503 3.299 20 30 GGEDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272496609 1434900503 /nfs/dbraw/zinc/90/05/03/1434900503.db2.gz DAFCKOWILKMLPF-DYESRHJHSA-N 1 0 390.487 3.369 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc([S@](C)=O)cc1 ZINC000272601040 1434913413 /nfs/dbraw/zinc/91/34/13/1434913413.db2.gz UGIGIMHYIQUIFT-ZDNGHDIGSA-N 1 0 381.501 3.142 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(CCc2cccs2)CC1 ZINC000272687575 1434922708 /nfs/dbraw/zinc/92/27/08/1434922708.db2.gz PORLFBHWDNHSPZ-INIZCTEOSA-N 1 0 384.505 3.431 20 30 GGEDRO COCC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccco1 ZINC000272766817 1434929534 /nfs/dbraw/zinc/92/95/34/1434929534.db2.gz MDRRWBAGLWCFBC-IBGZPJMESA-N 1 0 384.480 3.002 20 30 GGEDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000272785885 1434930928 /nfs/dbraw/zinc/93/09/28/1434930928.db2.gz FQEJYHHZDOSXQR-UHFFFAOYSA-N 1 0 397.435 3.071 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000272864364 1434937050 /nfs/dbraw/zinc/93/70/50/1434937050.db2.gz NNJJSVDBQZGJBE-NVXWUHKLSA-N 1 0 385.501 3.025 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000273017054 1434950615 /nfs/dbraw/zinc/95/06/15/1434950615.db2.gz CXTJTBBEMMJZKT-IRLDBZIGSA-N 1 0 396.491 3.104 20 30 GGEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CO)c2ccc(F)cc2)sc2c1CCCC2 ZINC000273092870 1434959945 /nfs/dbraw/zinc/95/99/45/1434959945.db2.gz JYLMIPMATFKYSO-QGZVFWFLSA-N 1 0 387.480 3.289 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C[C@@H](C)c2nccs2)c(OC)c1 ZINC000273097827 1434960465 /nfs/dbraw/zinc/96/04/65/1434960465.db2.gz VAABYDMRWGQXPW-WBVHZDCISA-N 1 0 376.522 3.355 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)c2cnn(C)c2)c1C#N ZINC000273283745 1434978052 /nfs/dbraw/zinc/97/80/52/1434978052.db2.gz JBOZXLRGRXQQMX-AWEZNQCLSA-N 1 0 394.454 3.128 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](CCOC)c2ccco2)c(OC)c1 ZINC000273322658 1434980776 /nfs/dbraw/zinc/98/07/76/1434980776.db2.gz XFIUBBVHDJPOPP-ZWKOTPCHSA-N 1 0 375.465 3.124 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273365783 1434983567 /nfs/dbraw/zinc/98/35/67/1434983567.db2.gz FYIZPSKDGPAOMF-UHFFFAOYSA-N 1 0 385.399 3.201 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273429884 1434988237 /nfs/dbraw/zinc/98/82/37/1434988237.db2.gz UIYJSGJKVBOODZ-VQTJNVASSA-N 1 0 375.488 3.386 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273429878 1434988319 /nfs/dbraw/zinc/98/83/19/1434988319.db2.gz UIYJSGJKVBOODZ-PMACEKPBSA-N 1 0 375.488 3.386 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1C#N ZINC000273450796 1434989662 /nfs/dbraw/zinc/98/96/62/1434989662.db2.gz ORPFJROPXPHLBQ-AWEZNQCLSA-N 1 0 387.484 3.321 20 30 GGEDRO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273538493 1434995445 /nfs/dbraw/zinc/99/54/45/1434995445.db2.gz SOEFTMBMGUDZRD-URVUXULASA-N 1 0 384.451 3.289 20 30 GGEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[C@]12CCCO2 ZINC000273602063 1434999317 /nfs/dbraw/zinc/99/93/17/1434999317.db2.gz MARMXJRCYHSVKN-TUNNFDKTSA-N 1 0 380.492 3.280 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273621696 1435000344 /nfs/dbraw/zinc/00/03/44/1435000344.db2.gz REVUFASAFFWUHU-UXHICEINSA-N 1 0 375.488 3.338 20 30 GGEDRO COc1cc(-c2noc(Cc3ccc(C#N)cc3)n2)ccc1OCC[NH+](C)C ZINC000273738053 1435009574 /nfs/dbraw/zinc/00/95/74/1435009574.db2.gz LSDRRJCBORJCMV-UHFFFAOYSA-N 1 0 378.432 3.148 20 30 GGEDRO C[NH+](C)CCOc1ccccc1-c1noc(Cc2ccc(OCC#N)cc2)n1 ZINC000273765643 1435012195 /nfs/dbraw/zinc/01/21/95/1435012195.db2.gz DFQBODAQYSZITJ-UHFFFAOYSA-N 1 0 378.432 3.170 20 30 GGEDRO CC(C)(C)c1nnc2ccc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)nn21 ZINC000274698400 1435086129 /nfs/dbraw/zinc/08/61/29/1435086129.db2.gz TVBZBMOMHLUSAR-UHFFFAOYSA-N 1 0 389.507 3.006 20 30 GGEDRO CS(=O)(=O)CCCCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000274792073 1435093028 /nfs/dbraw/zinc/09/30/28/1435093028.db2.gz YRFIZLUSOICSCJ-UHFFFAOYSA-N 1 0 386.517 3.442 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)CC1 ZINC000274795420 1435093216 /nfs/dbraw/zinc/09/32/16/1435093216.db2.gz NJUKOPPXJGRICL-UHFFFAOYSA-N 1 0 383.492 3.268 20 30 GGEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OCC)c1 ZINC000274850636 1435097848 /nfs/dbraw/zinc/09/78/48/1435097848.db2.gz BBYMILDDIWKHQQ-MRXNPFEDSA-N 1 0 389.448 3.071 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274885151 1435101047 /nfs/dbraw/zinc/10/10/47/1435101047.db2.gz GNUUUTVDEBGVRE-GOSISDBHSA-N 1 0 379.464 3.160 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000274941766 1435104902 /nfs/dbraw/zinc/10/49/02/1435104902.db2.gz QMVZDGLSYNTYCP-UHFFFAOYSA-N 1 0 378.524 3.344 20 30 GGEDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000274984983 1435107718 /nfs/dbraw/zinc/10/77/18/1435107718.db2.gz YCAHPNWQOSIXRD-UHFFFAOYSA-N 1 0 381.476 3.220 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000275016675 1435109906 /nfs/dbraw/zinc/10/99/06/1435109906.db2.gz GCMBZCHHCJDLDS-ZCNNSNEGSA-N 1 0 393.478 3.259 20 30 GGEDRO C=C(C)[C@H](NC(=O)NCC1(O)CC[NH+](C(C)C)CC1)c1ccc(F)c(F)c1 ZINC000275132205 1435118331 /nfs/dbraw/zinc/11/83/31/1435118331.db2.gz OQMMHNWXIAADSN-SFHVURJKSA-N 1 0 381.467 3.117 20 30 GGEDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000275247939 1435125633 /nfs/dbraw/zinc/12/56/33/1435125633.db2.gz PUUZOLQZGCIOEB-MOPGFXCFSA-N 1 0 384.480 3.104 20 30 GGEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C1)CCCC2 ZINC000275469395 1435141375 /nfs/dbraw/zinc/14/13/75/1435141375.db2.gz XMWSAHWTHYOFRP-UFUQCMIWSA-N 1 0 390.487 3.460 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275492913 1435143114 /nfs/dbraw/zinc/14/31/14/1435143114.db2.gz RJXAMQLIRRDUDI-UHFFFAOYSA-N 1 0 383.467 3.083 20 30 GGEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000275774625 1435167907 /nfs/dbraw/zinc/16/79/07/1435167907.db2.gz WOAHHVDSYAVUQS-UHFFFAOYSA-N 1 0 394.450 3.303 20 30 GGEDRO Cc1cc(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)nn1CCC#N ZINC000275802732 1435170928 /nfs/dbraw/zinc/17/09/28/1435170928.db2.gz ILNUSKVEYKMPKM-UHFFFAOYSA-N 1 0 398.536 3.341 20 30 GGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275991094 1435184355 /nfs/dbraw/zinc/18/43/55/1435184355.db2.gz GFEMQYHCDPPXHM-FXAWDEMLSA-N 1 0 379.508 3.054 20 30 GGEDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ncccc2OCCCC#N)c1 ZINC000276090322 1435190383 /nfs/dbraw/zinc/19/03/83/1435190383.db2.gz PPFTYDGJHFDWOL-UHFFFAOYSA-N 1 0 397.479 3.026 20 30 GGEDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000276096316 1435190532 /nfs/dbraw/zinc/19/05/32/1435190532.db2.gz QSBHMTNDIUALPJ-UHFFFAOYSA-N 1 0 381.480 3.190 20 30 GGEDRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000276274145 1435201423 /nfs/dbraw/zinc/20/14/23/1435201423.db2.gz YHBOFWOXFCMVFS-OAHLLOKOSA-N 1 0 396.919 3.453 20 30 GGEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000276287298 1435202492 /nfs/dbraw/zinc/20/24/92/1435202492.db2.gz QUBFEKGTJKDXBF-INIZCTEOSA-N 1 0 390.553 3.210 20 30 GGEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000276287301 1435202512 /nfs/dbraw/zinc/20/25/12/1435202512.db2.gz QUBFEKGTJKDXBF-MRXNPFEDSA-N 1 0 390.553 3.210 20 30 GGEDRO CCN(CCC[NH+]1CCCC1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000276390958 1435208931 /nfs/dbraw/zinc/20/89/31/1435208931.db2.gz FOHYDDWVGWNFQU-UHFFFAOYSA-N 1 0 384.524 3.048 20 30 GGEDRO CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH+](Cc1cc(C#N)n(C)c1)CC2 ZINC000276796809 1435233193 /nfs/dbraw/zinc/23/31/93/1435233193.db2.gz UVFOTZUANFQYKP-FQEVSTJZSA-N 1 0 382.533 3.361 20 30 GGEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000277058375 1435257632 /nfs/dbraw/zinc/25/76/32/1435257632.db2.gz MUIWHRGXCPFNDT-ICSRJNTNSA-N 1 0 387.842 3.087 20 30 GGEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000277063026 1435258098 /nfs/dbraw/zinc/25/80/98/1435258098.db2.gz DINOXHRFVHPTAS-UXHICEINSA-N 1 0 393.487 3.417 20 30 GGEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000277063038 1435258117 /nfs/dbraw/zinc/25/81/17/1435258117.db2.gz DINOXHRFVHPTAS-WOJBJXKFSA-N 1 0 393.487 3.417 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000277204590 1435278106 /nfs/dbraw/zinc/27/81/06/1435278106.db2.gz JUNLGZIVWJORNC-VGSWGCGISA-N 1 0 385.471 3.196 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)CC1 ZINC000277422896 1435303778 /nfs/dbraw/zinc/30/37/78/1435303778.db2.gz GQOKMTBBWMPROM-LJQANCHMSA-N 1 0 383.496 3.002 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000277672242 1435320968 /nfs/dbraw/zinc/32/09/68/1435320968.db2.gz FTFHZQOGMVJLCZ-MAUKXSAKSA-N 1 0 378.398 3.094 20 30 GGEDRO N#CCCn1cc(C[NH2+]C2CCN(c3cccnn3)CC2)c(-c2ccccc2)n1 ZINC000277695140 1435322550 /nfs/dbraw/zinc/32/25/50/1435322550.db2.gz QUHAGKWAPBUHJC-UHFFFAOYSA-N 1 0 387.491 3.012 20 30 GGEDRO CC(C)(C#N)CCCC[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000277800646 1435331698 /nfs/dbraw/zinc/33/16/98/1435331698.db2.gz UAETYVDMIOQKIZ-UHFFFAOYSA-N 1 0 382.552 3.303 20 30 GGEDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H](O)COc1ccccc1 ZINC000277839305 1435334975 /nfs/dbraw/zinc/33/49/75/1435334975.db2.gz RWYZCSYXSHKEOH-LJQANCHMSA-N 1 0 381.476 3.037 20 30 GGEDRO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000277928343 1435343210 /nfs/dbraw/zinc/34/32/10/1435343210.db2.gz HNZVNJHMNJIXJH-WMLDXEAASA-N 1 0 395.429 3.104 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccc(CC)cc1 ZINC000278140598 1435363593 /nfs/dbraw/zinc/36/35/93/1435363593.db2.gz ARGFBCKHKAVMQT-UHFFFAOYSA-O 1 0 385.509 3.262 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccc(C)cc1 ZINC000278227009 1435371345 /nfs/dbraw/zinc/37/13/45/1435371345.db2.gz KAEUTFXHSSLHOO-UHFFFAOYSA-O 1 0 385.509 3.398 20 30 GGEDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000278401746 1435387750 /nfs/dbraw/zinc/38/77/50/1435387750.db2.gz WQBSZJBMRXPMPX-SIKLNZKXSA-N 1 0 380.488 3.071 20 30 GGEDRO COC[C@H](C)OC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000278458717 1435392642 /nfs/dbraw/zinc/39/26/42/1435392642.db2.gz YNKNPTWYOTUIOV-HTAPYJJXSA-N 1 0 386.467 3.112 20 30 GGEDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278542534 1435398597 /nfs/dbraw/zinc/39/85/97/1435398597.db2.gz AGBQZLOCMMCVRE-UHFFFAOYSA-N 1 0 398.511 3.252 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c(-c2ccncc2)n1 ZINC000278550067 1435399250 /nfs/dbraw/zinc/39/92/50/1435399250.db2.gz BHDIDMBPDNEPLS-LJQANCHMSA-N 1 0 399.857 3.474 20 30 GGEDRO CC1CCC2(CC1)OC[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)O2 ZINC000278559054 1435399981 /nfs/dbraw/zinc/39/99/81/1435399981.db2.gz CGHGSAGKCOFYAV-LVKMRUPZSA-N 1 0 395.507 3.270 20 30 GGEDRO CC(=O)Nc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278572118 1435401330 /nfs/dbraw/zinc/40/13/30/1435401330.db2.gz DQKKUTLNLQVUKX-UHFFFAOYSA-N 1 0 388.475 3.149 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000278630387 1435407678 /nfs/dbraw/zinc/40/76/78/1435407678.db2.gz KMTDXVCVBUIQAV-LJQANCHMSA-N 1 0 386.503 3.475 20 30 GGEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CCO2 ZINC000278634774 1435408246 /nfs/dbraw/zinc/40/82/46/1435408246.db2.gz KWXMAQCHULKYIJ-FQEVSTJZSA-N 1 0 389.459 3.481 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(-c2ccncc2)n1 ZINC000278637521 1435408489 /nfs/dbraw/zinc/40/84/89/1435408489.db2.gz LEDKYQXNQWPJAI-ICSRJNTNSA-N 1 0 383.521 3.003 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(-c2ccncc2)n1 ZINC000278637525 1435408520 /nfs/dbraw/zinc/40/85/20/1435408520.db2.gz LEDKYQXNQWPJAI-QUCCMNQESA-N 1 0 383.521 3.003 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c(-c2ccncc2)n1 ZINC000278637352 1435408650 /nfs/dbraw/zinc/40/86/50/1435408650.db2.gz LBKPZAJLZVAPBL-IBGZPJMESA-N 1 0 381.867 3.335 20 30 GGEDRO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278648458 1435410109 /nfs/dbraw/zinc/41/01/09/1435410109.db2.gz MCOQTIXTRWGKRE-UHFFFAOYSA-N 1 0 398.511 3.253 20 30 GGEDRO C[C@](O)(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278673421 1435412719 /nfs/dbraw/zinc/41/27/19/1435412719.db2.gz OKVRZKCVQGLGEP-QFIPXVFZSA-N 1 0 375.476 3.246 20 30 GGEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000278675011 1435412782 /nfs/dbraw/zinc/41/27/82/1435412782.db2.gz HEZTZMZSTCSJPS-YLJYHZDGSA-N 1 0 375.488 3.276 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278690148 1435414314 /nfs/dbraw/zinc/41/43/14/1435414314.db2.gz PVTIKVWCXCSDRQ-KDURUIRLSA-N 1 0 380.540 3.316 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278690158 1435414388 /nfs/dbraw/zinc/41/43/88/1435414388.db2.gz PVTIKVWCXCSDRQ-RTBURBONSA-N 1 0 380.540 3.316 20 30 GGEDRO C[C@H]1Cc2ccccc2N1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278697237 1435414991 /nfs/dbraw/zinc/41/49/91/1435414991.db2.gz QMDHKDTXILRPND-SFHVURJKSA-N 1 0 386.503 3.400 20 30 GGEDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278733398 1435418544 /nfs/dbraw/zinc/41/85/44/1435418544.db2.gz UPBRANBQBUOYEB-UWJYYQICSA-N 1 0 375.476 3.461 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@H]2COC3(CCCCC3)O2)c(-c2ccncc2)n1 ZINC000278763930 1435421231 /nfs/dbraw/zinc/42/12/31/1435421231.db2.gz XOTNYEMYFNBEST-IBGZPJMESA-N 1 0 381.480 3.024 20 30 GGEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccsc1 ZINC000278778401 1435422901 /nfs/dbraw/zinc/42/29/01/1435422901.db2.gz YVUGWHAGBWDZSQ-LJQANCHMSA-N 1 0 380.521 3.313 20 30 GGEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1C#N ZINC000278830450 1435428483 /nfs/dbraw/zinc/42/84/83/1435428483.db2.gz JREDZSMBAXRSKD-MRXNPFEDSA-N 1 0 386.496 3.062 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278863708 1435432855 /nfs/dbraw/zinc/43/28/55/1435432855.db2.gz LKBASMNEWIZECL-UHFFFAOYSA-N 1 0 377.492 3.299 20 30 GGEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C#N)cc1 ZINC000278884171 1435435206 /nfs/dbraw/zinc/43/52/06/1435435206.db2.gz YAYCYCMEMVCPLT-LJQANCHMSA-N 1 0 387.480 3.478 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc([C@H]2CCCOC2)nn1C)C(C)C ZINC000279058582 1435456469 /nfs/dbraw/zinc/45/64/69/1435456469.db2.gz ALCHNGVDYRVURD-HKUYNNGSSA-N 1 0 389.544 3.134 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C)C(C)C ZINC000279058588 1435456470 /nfs/dbraw/zinc/45/64/70/1435456470.db2.gz ALCHNGVDYRVURD-MJGOQNOKSA-N 1 0 389.544 3.134 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)c1C#N ZINC000279261153 1435478598 /nfs/dbraw/zinc/47/85/98/1435478598.db2.gz MEWSNXFIOGEFSB-UZLBHIALSA-N 1 0 398.482 3.184 20 30 GGEDRO N#Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@@H]2CCO)sc2c1CCCCC2 ZINC000279343353 1435488914 /nfs/dbraw/zinc/48/89/14/1435488914.db2.gz UXBPASORRUTUHU-PBHICJAKSA-N 1 0 375.538 3.358 20 30 GGEDRO N#Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@H]2CCO)sc2c1CCCCC2 ZINC000279343363 1435489119 /nfs/dbraw/zinc/48/91/19/1435489119.db2.gz UXBPASORRUTUHU-YOEHRIQHSA-N 1 0 375.538 3.358 20 30 GGEDRO N#CCCn1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)c(-c2ccncc2)n1 ZINC000279373601 1435492582 /nfs/dbraw/zinc/49/25/82/1435492582.db2.gz JITYIMBNLCAZBD-NRFANRHFSA-N 1 0 378.524 3.309 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)c1C#N ZINC000279389178 1435493916 /nfs/dbraw/zinc/49/39/16/1435493916.db2.gz YPKZENFMFNMKRM-YLJYHZDGSA-N 1 0 380.492 3.045 20 30 GGEDRO C=C[C@](C)(O)CC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279413423 1435496602 /nfs/dbraw/zinc/49/66/02/1435496602.db2.gz KRBGWTCZKWWMIK-MJGOQNOKSA-N 1 0 384.442 3.227 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3ncc4n3CCCC4)CC2)CC1 ZINC000279414543 1435496793 /nfs/dbraw/zinc/49/67/93/1435496793.db2.gz HZDIFLWLMIWFOH-UHFFFAOYSA-N 1 0 385.556 3.149 20 30 GGEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000279464479 1435502370 /nfs/dbraw/zinc/50/23/70/1435502370.db2.gz CYILPKDOVQWCOE-UHFFFAOYSA-N 1 0 393.535 3.121 20 30 GGEDRO C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1n1ccnc1 ZINC000279490802 1435505352 /nfs/dbraw/zinc/50/53/52/1435505352.db2.gz XYSHYDDCBGBBKT-PXNSSMCTSA-N 1 0 375.480 3.138 20 30 GGEDRO C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1n1ccnc1 ZINC000279490805 1435505357 /nfs/dbraw/zinc/50/53/57/1435505357.db2.gz XYSHYDDCBGBBKT-XLIONFOSSA-N 1 0 375.480 3.138 20 30 GGEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279517783 1435508793 /nfs/dbraw/zinc/50/87/93/1435508793.db2.gz RDIFBQACZFPVBZ-UHFFFAOYSA-N 1 0 380.473 3.479 20 30 GGEDRO N#Cc1cccc(-c2cc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)on2)c1 ZINC000279571192 1435514310 /nfs/dbraw/zinc/51/43/10/1435514310.db2.gz VXTMBXDFTXIRCS-FXAWDEMLSA-N 1 0 376.460 3.302 20 30 GGEDRO CS(=O)(=O)C1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCC1 ZINC000279631401 1435521428 /nfs/dbraw/zinc/52/14/28/1435521428.db2.gz BUUHXHPKVQNYAO-UHFFFAOYSA-N 1 0 384.501 3.194 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ccco3)cc2F)CC1 ZINC000279657540 1435524869 /nfs/dbraw/zinc/52/48/69/1435524869.db2.gz CBCAENFXFMYBRD-UHFFFAOYSA-N 1 0 385.439 3.181 20 30 GGEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279665767 1435526287 /nfs/dbraw/zinc/52/62/87/1435526287.db2.gz ZFRXDEXFHLHDAV-VXKWHMMOSA-N 1 0 378.520 3.211 20 30 GGEDRO CN(C)[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000279988695 1435573095 /nfs/dbraw/zinc/57/30/95/1435573095.db2.gz OQVKFAYLBBYULT-XLIONFOSSA-N 1 0 380.879 3.313 20 30 GGEDRO Cc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000280143430 1435599058 /nfs/dbraw/zinc/59/90/58/1435599058.db2.gz CHMKSTKRCJYCAJ-HXUWFJFHSA-N 1 0 390.487 3.293 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000280171929 1435603504 /nfs/dbraw/zinc/60/35/04/1435603504.db2.gz SNYSYFUTJZSEGB-YSZBQJHXSA-N 1 0 386.499 3.410 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280289366 1435627142 /nfs/dbraw/zinc/62/71/42/1435627142.db2.gz FALLNCXLNRDCSR-YFXJRYMSSA-N 1 0 386.499 3.267 20 30 GGEDRO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000280314644 1435633065 /nfs/dbraw/zinc/63/30/65/1435633065.db2.gz XJSNDFXCJATAFS-UHFFFAOYSA-N 1 0 387.487 3.170 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355862 1435642950 /nfs/dbraw/zinc/64/29/50/1435642950.db2.gz IQGNLQFGSDQXFV-WMZHIEFXSA-N 1 0 386.499 3.364 20 30 GGEDRO C[C@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000280381545 1435649782 /nfs/dbraw/zinc/64/97/82/1435649782.db2.gz MRMZGZAVLVJACA-CVDCTZTESA-N 1 0 386.499 3.364 20 30 GGEDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](C)O2 ZINC000280462508 1435664829 /nfs/dbraw/zinc/66/48/29/1435664829.db2.gz MJQLJOQLRGGZGK-FGSXEWAUSA-N 1 0 380.492 3.232 20 30 GGEDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)c1ccccc1 ZINC000280484505 1435667999 /nfs/dbraw/zinc/66/79/99/1435667999.db2.gz AIIJNHNICFLMQQ-GOSISDBHSA-N 1 0 387.443 3.093 20 30 GGEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccccc2)cc1 ZINC000280545182 1435676968 /nfs/dbraw/zinc/67/69/68/1435676968.db2.gz IMZRZOCJRODJHD-SFHVURJKSA-O 1 0 383.537 3.492 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(C#N)oc2C)cc1OC ZINC000280563234 1435680905 /nfs/dbraw/zinc/68/09/05/1435680905.db2.gz FYIKJBZPSAIGJP-UHFFFAOYSA-N 1 0 385.464 3.119 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](CC2CCC2)[C@@H](C)CO)c1C#N ZINC000280569723 1435681349 /nfs/dbraw/zinc/68/13/49/1435681349.db2.gz RUZHERSVJDYNIZ-HNNXBMFYSA-N 1 0 398.507 3.039 20 30 GGEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000280636485 1435694868 /nfs/dbraw/zinc/69/48/68/1435694868.db2.gz XUTQMXYFEJSPMR-JOCHJYFZSA-N 1 0 398.507 3.447 20 30 GGEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000280806075 1435723764 /nfs/dbraw/zinc/72/37/64/1435723764.db2.gz SXRVJFQNYSRNNH-KPZWWZAWSA-N 1 0 386.395 3.318 20 30 GGEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000281104541 1435775106 /nfs/dbraw/zinc/77/51/06/1435775106.db2.gz YOBXEEIPHFSCDY-UHFFFAOYSA-N 1 0 389.459 3.074 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281131786 1435781103 /nfs/dbraw/zinc/78/11/03/1435781103.db2.gz XTFJORZUTKJECX-GOSISDBHSA-N 1 0 384.524 3.122 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000281164128 1435787396 /nfs/dbraw/zinc/78/73/96/1435787396.db2.gz CPHXJUBFIMOHTQ-HBMCJLEFSA-N 1 0 386.540 3.059 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000281164139 1435787481 /nfs/dbraw/zinc/78/74/81/1435787481.db2.gz CPHXJUBFIMOHTQ-NJYVYQBISA-N 1 0 386.540 3.059 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000281226888 1435799213 /nfs/dbraw/zinc/79/92/13/1435799213.db2.gz OQEFUIWISXVBJZ-JOCHJYFZSA-N 1 0 391.515 3.374 20 30 GGEDRO Cc1oc(C#N)cc1C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281285195 1435802418 /nfs/dbraw/zinc/80/24/18/1435802418.db2.gz MJUIYTCYEMZQLB-QGZVFWFLSA-N 1 0 375.432 3.356 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000281286569 1435802429 /nfs/dbraw/zinc/80/24/29/1435802429.db2.gz OUCRBLNTENQLKA-UYAOXDASSA-N 1 0 391.519 3.471 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(OCCCC2(C#N)CCOCC2)cc1 ZINC000281388537 1435806748 /nfs/dbraw/zinc/80/67/48/1435806748.db2.gz PQQNLYRYDPYLIE-UHFFFAOYSA-N 1 0 387.524 3.238 20 30 GGEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000281393914 1435807008 /nfs/dbraw/zinc/80/70/08/1435807008.db2.gz NBFGMYOPDLPKFV-OLQIXAPSSA-N 1 0 375.900 3.412 20 30 GGEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000281393909 1435807027 /nfs/dbraw/zinc/80/70/27/1435807027.db2.gz NBFGMYOPDLPKFV-HQJJXPTPSA-N 1 0 375.900 3.412 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000281397982 1435807255 /nfs/dbraw/zinc/80/72/55/1435807255.db2.gz ORQAXUNTQDRKCX-CYBMUJFWSA-N 1 0 380.514 3.087 20 30 GGEDRO N#CC1(CCCON=C(N)c2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000281432607 1435808784 /nfs/dbraw/zinc/80/87/84/1435808784.db2.gz SNJKJZSOHXMAAF-UHFFFAOYSA-N 1 0 384.524 3.410 20 30 GGEDRO C=CCN1CC[C@@H](N(C)C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1=O ZINC000281434223 1435808794 /nfs/dbraw/zinc/80/87/94/1435808794.db2.gz QWOJFHOLSRXBDP-JOCHJYFZSA-N 1 0 391.515 3.178 20 30 GGEDRO C[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281504657 1435811681 /nfs/dbraw/zinc/81/16/81/1435811681.db2.gz WYPXKOUJYBWMMH-AEFFLSMTSA-N 1 0 377.492 3.127 20 30 GGEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000281511294 1435811745 /nfs/dbraw/zinc/81/17/45/1435811745.db2.gz KEGCNBOLZRGDFJ-VQIMIIECSA-N 1 0 381.467 3.019 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000281511278 1435811783 /nfs/dbraw/zinc/81/17/83/1435811783.db2.gz KEGCNBOLZRGDFJ-APWZRJJASA-N 1 0 381.467 3.019 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCc2ccccn2)Cc2ccncc2)CC1 ZINC000281586675 1435814710 /nfs/dbraw/zinc/81/47/10/1435814710.db2.gz QACONRSEQDZANG-UHFFFAOYSA-N 1 0 393.535 3.271 20 30 GGEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000281600146 1435815091 /nfs/dbraw/zinc/81/50/91/1435815091.db2.gz OJVFESMRZOURHP-QFIPXVFZSA-N 1 0 378.520 3.355 20 30 GGEDRO COc1cc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1C#N ZINC000281657291 1435817392 /nfs/dbraw/zinc/81/73/92/1435817392.db2.gz KLLNQOZYTNBRPS-IRXDYDNUSA-N 1 0 393.487 3.106 20 30 GGEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)ccc1C#N ZINC000281717997 1435819383 /nfs/dbraw/zinc/81/93/83/1435819383.db2.gz PBFJOYMBBJHJQU-HNNXBMFYSA-N 1 0 379.460 3.075 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000281946740 1435828014 /nfs/dbraw/zinc/82/80/14/1435828014.db2.gz CLKSTZCANLTMQT-UHFFFAOYSA-N 1 0 390.381 3.466 20 30 GGEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000282009895 1435830783 /nfs/dbraw/zinc/83/07/83/1435830783.db2.gz OHVUJBCPCOTHDT-KRWDZBQOSA-N 1 0 385.508 3.095 20 30 GGEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000282009901 1435830784 /nfs/dbraw/zinc/83/07/84/1435830784.db2.gz OHVUJBCPCOTHDT-QGZVFWFLSA-N 1 0 385.508 3.095 20 30 GGEDRO CCCCCCCS(=O)(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000282040754 1435832246 /nfs/dbraw/zinc/83/22/46/1435832246.db2.gz BLZFDCLCCJBUQQ-UHFFFAOYSA-N 1 0 382.570 3.033 20 30 GGEDRO COc1cc(OC)cc(N2CCC[N@H+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000282060451 1435832983 /nfs/dbraw/zinc/83/29/83/1435832983.db2.gz SBAZQZHKJSXDIP-UHFFFAOYSA-N 1 0 387.524 3.316 20 30 GGEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000282099199 1435834538 /nfs/dbraw/zinc/83/45/38/1435834538.db2.gz VYHIETSVSPRZKQ-GOSISDBHSA-N 1 0 375.900 3.478 20 30 GGEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282123900 1435835585 /nfs/dbraw/zinc/83/55/85/1435835585.db2.gz AAQUJYXPGDRYPC-UHFFFAOYSA-N 1 0 383.540 3.225 20 30 GGEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000282143822 1435836328 /nfs/dbraw/zinc/83/63/28/1435836328.db2.gz BQGBMPKBYQFJAF-GOSISDBHSA-N 1 0 383.540 3.232 20 30 GGEDRO C=CCn1c(-c2ccccc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000282157547 1435836771 /nfs/dbraw/zinc/83/67/71/1435836771.db2.gz CPYBBYVXFPFKMX-UHFFFAOYSA-N 1 0 394.567 3.126 20 30 GGEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282164908 1435837020 /nfs/dbraw/zinc/83/70/20/1435837020.db2.gz DEMLNTYKSPKDPG-UHFFFAOYSA-N 1 0 391.523 3.488 20 30 GGEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000282166628 1435837050 /nfs/dbraw/zinc/83/70/50/1435837050.db2.gz DHAWTAXRJSBFEN-MRXNPFEDSA-N 1 0 386.931 3.492 20 30 GGEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000282172267 1435837256 /nfs/dbraw/zinc/83/72/56/1435837256.db2.gz DUPURFDNUNJYPH-TZIWHRDSSA-N 1 0 388.519 3.456 20 30 GGEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000282213340 1435838710 /nfs/dbraw/zinc/83/87/10/1435838710.db2.gz IBGFZZNRVYZXDJ-IBGZPJMESA-N 1 0 380.540 3.474 20 30 GGEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000282306700 1435842416 /nfs/dbraw/zinc/84/24/16/1435842416.db2.gz PCJLRIXRCWKXHL-KRWDZBQOSA-N 1 0 394.548 3.395 20 30 GGEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000282316711 1435842877 /nfs/dbraw/zinc/84/28/77/1435842877.db2.gz PWSRBZJRWZQUKE-GOSISDBHSA-N 1 0 399.539 3.220 20 30 GGEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000282321041 1435842941 /nfs/dbraw/zinc/84/29/41/1435842941.db2.gz QGJTXNCYLWNQIW-OAQYLSRUSA-N 1 0 395.551 3.307 20 30 GGEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000282545530 1435851086 /nfs/dbraw/zinc/85/10/86/1435851086.db2.gz SYHHBCULBIBVCC-GOSISDBHSA-N 1 0 380.496 3.219 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(=O)Nc2sccc2C#N)C(C)(C)C1 ZINC000282592996 1435853014 /nfs/dbraw/zinc/85/30/14/1435853014.db2.gz XFHJBKUNUDFKGJ-AWEZNQCLSA-N 1 0 392.525 3.183 20 30 GGEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000282604742 1435853440 /nfs/dbraw/zinc/85/34/40/1435853440.db2.gz MZODURIUXKDGAZ-UHFFFAOYSA-N 1 0 381.524 3.246 20 30 GGEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000282713655 1435857484 /nfs/dbraw/zinc/85/74/84/1435857484.db2.gz VXHARSTVDWBBKO-UHFFFAOYSA-N 1 0 399.564 3.297 20 30 GGEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000283144614 1435876652 /nfs/dbraw/zinc/87/66/52/1435876652.db2.gz DFQHOCYPTCITNF-IBGZPJMESA-N 1 0 380.540 3.152 20 30 GGEDRO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283233044 1435880377 /nfs/dbraw/zinc/88/03/77/1435880377.db2.gz UIDZQTFTHMRYIL-NZQKXSOJSA-N 1 0 388.515 3.031 20 30 GGEDRO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283233041 1435880454 /nfs/dbraw/zinc/88/04/54/1435880454.db2.gz UIDZQTFTHMRYIL-NFBKMPQASA-N 1 0 388.515 3.031 20 30 GGEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000283396208 1435887831 /nfs/dbraw/zinc/88/78/31/1435887831.db2.gz WHQSPYSOHHAEQV-OALUTQOASA-N 1 0 397.571 3.346 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000283484149 1435892024 /nfs/dbraw/zinc/89/20/24/1435892024.db2.gz OOMLAFJCOWYWAG-KRWDZBQOSA-N 1 0 379.504 3.174 20 30 GGEDRO C[NH+](C)C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000283538886 1435894480 /nfs/dbraw/zinc/89/44/80/1435894480.db2.gz CSVURVIGKYXDJV-IBGZPJMESA-N 1 0 386.883 3.344 20 30 GGEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000283631998 1435898610 /nfs/dbraw/zinc/89/86/10/1435898610.db2.gz OMWZSAKWOLBPOX-LJQANCHMSA-N 1 0 397.571 3.203 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000283633722 1435898714 /nfs/dbraw/zinc/89/87/14/1435898714.db2.gz YFIGLCVUOYKRQO-AWEZNQCLSA-N 1 0 397.441 3.039 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283674272 1435901323 /nfs/dbraw/zinc/90/13/23/1435901323.db2.gz VMRWIASQRYJFLX-OAQYLSRUSA-N 1 0 377.488 3.169 20 30 GGEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283739827 1435913810 /nfs/dbraw/zinc/91/38/10/1435913810.db2.gz ZRHAZAAQZVLLHK-UHFFFAOYSA-N 1 0 383.540 3.420 20 30 GGEDRO COC(=O)[C@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1 ZINC000283877206 1435942329 /nfs/dbraw/zinc/94/23/29/1435942329.db2.gz CPTRAWDFTUGHQZ-JOCHJYFZSA-N 1 0 393.487 3.035 20 30 GGEDRO COC(=O)[C@@H](NCc1ccc(OC2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1 ZINC000283877214 1435942718 /nfs/dbraw/zinc/94/27/18/1435942718.db2.gz CPTRAWDFTUGHQZ-QFIPXVFZSA-N 1 0 393.487 3.035 20 30 GGEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCC#Cc3ccccc3)cc2)CC1 ZINC000283957096 1435961452 /nfs/dbraw/zinc/96/14/52/1435961452.db2.gz KKGYRPOZMRDJET-UHFFFAOYSA-N 1 0 377.488 3.011 20 30 GGEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)CC1 ZINC000283980489 1435966486 /nfs/dbraw/zinc/96/64/86/1435966486.db2.gz LMNLOJJGNAUVSP-UHFFFAOYSA-N 1 0 378.476 3.031 20 30 GGEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000284151025 1435999828 /nfs/dbraw/zinc/99/98/28/1435999828.db2.gz WOHIWGYXTLJXFJ-QUCCMNQESA-N 1 0 376.508 3.290 20 30 GGEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1Cl ZINC000284281699 1436009513 /nfs/dbraw/zinc/00/95/13/1436009513.db2.gz JVSNQGUIOBGPIM-LTFJSZEESA-N 1 0 377.872 3.304 20 30 GGEDRO CC1(C#N)CN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000284480346 1436024852 /nfs/dbraw/zinc/02/48/52/1436024852.db2.gz BYCHZCJRMCNUTF-UHFFFAOYSA-N 1 0 383.496 3.269 20 30 GGEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)CSc3ccc(C#N)cc3)cc2)CC1 ZINC000284502956 1436026527 /nfs/dbraw/zinc/02/65/27/1436026527.db2.gz NOVPPEICFYTDRX-UHFFFAOYSA-N 1 0 395.528 3.440 20 30 GGEDRO CCCCOc1ccc(C(=O)C(C(=S)NC2CC2)[n+]2cccc(CO)c2)cc1 ZINC000284587131 1436032151 /nfs/dbraw/zinc/03/21/51/1436032151.db2.gz XRBGXAYBUWEDJU-UHFFFAOYSA-O 1 0 399.536 3.336 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000284647109 1436037101 /nfs/dbraw/zinc/03/71/01/1436037101.db2.gz DYMCEYIJJJTGHQ-LSDHHAIUSA-N 1 0 385.489 3.030 20 30 GGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1Cl ZINC000284704673 1436041480 /nfs/dbraw/zinc/04/14/80/1436041480.db2.gz YYHVTUVIMAVSQV-OXQOHEQNSA-N 1 0 388.899 3.090 20 30 GGEDRO C[C@@H]([NH2+]CC=CC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585805 1442322897 /nfs/dbraw/zinc/32/28/97/1442322897.db2.gz UJOPCBNDIIYSLZ-OPCNFVSTSA-N 1 0 387.491 3.296 20 30 GGEDRO C[C@H]([NH2+]CCC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000824590279 1450496209 /nfs/dbraw/zinc/49/62/09/1450496209.db2.gz AYRANGDILKTCTI-HOTGVXAUSA-N 1 0 375.480 3.130 20 30 GGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@H]43)c(Cl)nn2)c1 ZINC001164410762 718877555 /nfs/dbraw/zinc/87/75/55/718877555.db2.gz GSQLXNDXJNYHMB-GOEBONIOSA-N 1 0 375.810 3.154 20 30 GGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4C[C@@]4([NH3+])C3)c(Cl)nn2)c1 ZINC001164422496 718897552 /nfs/dbraw/zinc/89/75/52/718897552.db2.gz VYVPYJADRYTUSJ-SUMWQHHRSA-N 1 0 375.810 3.141 20 30 GGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(C)C)ccc3C#N)CC2)CC1 ZINC001164613719 719022004 /nfs/dbraw/zinc/02/20/04/719022004.db2.gz AITOFHYOAJJSNL-UHFFFAOYSA-N 1 0 384.524 3.321 20 30 GGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C#N)ccc2[N+](=O)[O-])CC3)cs1 ZINC001164692600 719808612 /nfs/dbraw/zinc/80/86/12/719808612.db2.gz KQBYKNFCVPJYSU-UHFFFAOYSA-N 1 0 398.492 3.261 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc(C#N)cc31)C2 ZINC001164809117 720102906 /nfs/dbraw/zinc/10/29/06/720102906.db2.gz HCFKXZAJRQJZLY-NFBKMPQASA-N 1 0 376.504 3.291 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C3(C#N)CCC3)cn1)C2 ZINC001164813774 720114969 /nfs/dbraw/zinc/11/49/69/720114969.db2.gz QLBKNGXNAQUYCU-REWPJTCUSA-N 1 0 380.536 3.212 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C#N)c3ccccc3n1)C2 ZINC001164814422 720166067 /nfs/dbraw/zinc/16/60/67/720166067.db2.gz GJQGOYTXYOSVHZ-AUSIDOKSSA-N 1 0 376.504 3.291 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C#N)c3ccccc3n1)C2 ZINC001164814427 720167408 /nfs/dbraw/zinc/16/74/08/720167408.db2.gz GJQGOYTXYOSVHZ-XXBNENTESA-N 1 0 376.504 3.291 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(Cl)c1C#N)C2 ZINC001164812118 720194662 /nfs/dbraw/zinc/19/46/62/720194662.db2.gz KUJOTVRMXQIJIZ-KUHUBIRLSA-N 1 0 395.334 3.445 20 30 GGEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726361 720429304 /nfs/dbraw/zinc/42/93/04/720429304.db2.gz BVLKHXLFWJJEMQ-FGZHOGPDSA-N 1 0 382.471 3.263 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C#N ZINC001164837244 720512242 /nfs/dbraw/zinc/51/22/42/720512242.db2.gz OQZSFQIPLXEQHF-JENIJYKNSA-N 1 0 398.942 3.489 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C#N)cc3Cl)CC[C@@H]21 ZINC001164833373 720512879 /nfs/dbraw/zinc/51/28/79/720512879.db2.gz DLCPJXCNSRARRR-AOIWGVFYSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(Cl)c(C#N)n3)CC[C@@H]21 ZINC001164839041 720514376 /nfs/dbraw/zinc/51/43/76/720514376.db2.gz SDYUOGYXAYMGBD-GJYPPUQNSA-N 1 0 384.915 3.181 20 30 GGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC001164735010 720531232 /nfs/dbraw/zinc/53/12/32/720531232.db2.gz MOTNFDYWAFVJHQ-CQSZACIVSA-N 1 0 380.883 3.154 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)cc(C#N)n3)CC[C@@H]21 ZINC001164835813 720531705 /nfs/dbraw/zinc/53/17/05/720531705.db2.gz HWOOIDQJRAKATK-SNRMKQJTSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)cc(C#N)n3)CC[C@@H]21 ZINC001164835812 720532303 /nfs/dbraw/zinc/53/23/03/720532303.db2.gz HWOOIDQJRAKATK-MNEFBYGVSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4[nH]c(C#N)cc4n3)CC[C@@H]21 ZINC001164835580 720595259 /nfs/dbraw/zinc/59/52/59/720595259.db2.gz BNDGGYSWJAOADO-MDKPJZGXSA-N 1 0 389.507 3.009 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)CCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841560 720605699 /nfs/dbraw/zinc/60/56/99/720605699.db2.gz TWJJHATZLWNVBQ-RZUBCFFCSA-N 1 0 390.535 3.016 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841555 720605841 /nfs/dbraw/zinc/60/58/41/720605841.db2.gz TWJJHATZLWNVBQ-JAXLGGSGSA-N 1 0 390.535 3.016 20 30 GGEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)cc1C#N ZINC001164840264 720642536 /nfs/dbraw/zinc/64/25/36/720642536.db2.gz PQPAYVWRBKTTAS-CMKODMSKSA-N 1 0 398.942 3.489 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164841806 720670997 /nfs/dbraw/zinc/67/09/97/720670997.db2.gz QGKMISVZISNDBY-KRWDZBQOSA-N 1 0 397.910 3.262 20 30 GGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)CCCC3)[C@H]2C ZINC001164863589 721001043 /nfs/dbraw/zinc/00/10/43/721001043.db2.gz WZHMQHKUJGZBAD-INIZCTEOSA-N 1 0 378.524 3.450 20 30 GGEDRO CCCc1cc(C#N)c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1Cl ZINC001164762835 721151994 /nfs/dbraw/zinc/15/19/94/721151994.db2.gz DUYOCSATNWNBKU-MJGOQNOKSA-N 1 0 398.942 3.251 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@H]3C2)cn1 ZINC001164766482 721236402 /nfs/dbraw/zinc/23/64/02/721236402.db2.gz UJSVTHILTHLZCN-LEWJYISDSA-N 1 0 393.611 3.002 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@@H]3C2)cn1 ZINC001164766495 721236560 /nfs/dbraw/zinc/23/65/60/721236560.db2.gz UJSVTHILTHLZCN-SFTDATJTSA-N 1 0 393.611 3.002 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@H]3C2)cn1 ZINC001164766486 721236658 /nfs/dbraw/zinc/23/66/58/721236658.db2.gz UJSVTHILTHLZCN-NHCUHLMSSA-N 1 0 393.611 3.002 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@@H]3C2)cn1 ZINC001164766490 721236836 /nfs/dbraw/zinc/23/68/36/721236836.db2.gz UJSVTHILTHLZCN-RTWAWAEBSA-N 1 0 393.611 3.002 20 30 GGEDRO COc1cc(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)c(C#N)c(Cl)n1 ZINC001164772106 721291204 /nfs/dbraw/zinc/29/12/04/721291204.db2.gz FBRQLPCPROAUQM-UHFFFAOYSA-N 1 0 382.842 3.082 20 30 GGEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc(Cl)c1C#N)CC2 ZINC001164792163 721491933 /nfs/dbraw/zinc/49/19/33/721491933.db2.gz HONXZCYEWOYSRK-UHFFFAOYSA-N 1 0 382.899 3.278 20 30 GGEDRO COc1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C#N ZINC001164791484 721493825 /nfs/dbraw/zinc/49/38/25/721493825.db2.gz CSBAPZXEMQWFGL-UHFFFAOYSA-N 1 0 377.492 3.238 20 30 GGEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164796403 721498767 /nfs/dbraw/zinc/49/87/67/721498767.db2.gz UWESFBMNOHDKQK-UHFFFAOYSA-N 1 0 387.491 3.106 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900310 721513316 /nfs/dbraw/zinc/51/33/16/721513316.db2.gz QALVKJVFLNHBIY-RDJZCZTQSA-N 1 0 386.858 3.396 20 30 GGEDRO N#CCc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164908060 721561679 /nfs/dbraw/zinc/56/16/79/721561679.db2.gz PQQCUHFAOUONBV-AEFFLSMTSA-N 1 0 386.858 3.282 20 30 GGEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)cc1C#N ZINC001164906454 721566356 /nfs/dbraw/zinc/56/63/56/721566356.db2.gz JISJLEWEUCIJAB-AEFFLSMTSA-N 1 0 386.858 3.396 20 30 GGEDRO Cc1ccc(C#N)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908481 721692637 /nfs/dbraw/zinc/69/26/37/721692637.db2.gz ZJDZAZYWPQENFL-HXUWFJFHSA-N 1 0 383.446 3.394 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc(Cl)c3C#N)C[C@@H]21 ZINC001165024017 721805342 /nfs/dbraw/zinc/80/53/42/721805342.db2.gz KRHSWEOJXSJYPF-JCGIZDLHSA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cnc3C#N)C[C@@H]21 ZINC001165027718 721805397 /nfs/dbraw/zinc/80/53/97/721805397.db2.gz XMMNCHNVWOZAQB-QILLFSRXSA-N 1 0 382.899 3.134 20 30 GGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(OC)c(C#N)cn2)CC1 ZINC001165016583 721837748 /nfs/dbraw/zinc/83/77/48/721837748.db2.gz CKOLZAIQEDRDEC-UHFFFAOYSA-N 1 0 396.491 3.080 20 30 GGEDRO COc1cc(C#N)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165023081 721841576 /nfs/dbraw/zinc/84/15/76/721841576.db2.gz XAFMYHYAZWXIFG-UHFFFAOYSA-N 1 0 396.491 3.080 20 30 GGEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932339 721889777 /nfs/dbraw/zinc/88/97/77/721889777.db2.gz IVPOVJPNVOTQEZ-QZTJIDSGSA-N 1 0 387.890 3.114 20 30 GGEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932338 721889945 /nfs/dbraw/zinc/88/99/45/721889945.db2.gz IVPOVJPNVOTQEZ-MSOLQXFVSA-N 1 0 387.890 3.114 20 30 GGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c12 ZINC001164935701 721890931 /nfs/dbraw/zinc/89/09/31/721890931.db2.gz WTJZYWDFJMYLBI-QZTJIDSGSA-N 1 0 383.927 3.283 20 30 GGEDRO COc1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1C#N ZINC001164939925 721924196 /nfs/dbraw/zinc/92/41/96/721924196.db2.gz PODPERMEESROLZ-UHFFFAOYSA-N 1 0 392.503 3.142 20 30 GGEDRO N#Cc1cc(C#N)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164952589 722016998 /nfs/dbraw/zinc/01/69/98/722016998.db2.gz OBTNGRGDGGXEML-UHFFFAOYSA-N 1 0 392.894 3.366 20 30 GGEDRO Cc1nc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1C#N ZINC001164953707 722018348 /nfs/dbraw/zinc/01/83/48/722018348.db2.gz XIAKKMCSJXRMEI-UHFFFAOYSA-N 1 0 382.899 3.198 20 30 GGEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965314 722067860 /nfs/dbraw/zinc/06/78/60/722067860.db2.gz ISWBQPCICRIUFP-BGYRXZFFSA-N 1 0 378.451 3.059 20 30 GGEDRO Cc1ccc2nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c(C#N)c(Cl)c2c1 ZINC001164968183 722078034 /nfs/dbraw/zinc/07/80/34/722078034.db2.gz VCEOGROPWHPEQV-IYBDPMFKSA-N 1 0 382.895 3.368 20 30 GGEDRO N#Cc1ccc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973858 722111010 /nfs/dbraw/zinc/11/10/10/722111010.db2.gz HNLFECKAVAJTMM-GGAORHGYSA-N 1 0 399.498 3.229 20 30 GGEDRO N#Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc12 ZINC001164984993 722139590 /nfs/dbraw/zinc/13/95/90/722139590.db2.gz YRYKVFBCNKSDLT-WMZHIEFXSA-N 1 0 399.498 3.229 20 30 GGEDRO Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)cc1C#N ZINC001164971108 722155299 /nfs/dbraw/zinc/15/52/99/722155299.db2.gz AQTVUQRVBQOHEE-PXNSSMCTSA-N 1 0 397.910 3.037 20 30 GGEDRO N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993921 722198975 /nfs/dbraw/zinc/19/89/75/722198975.db2.gz JKSPFANRJJQOND-FQEVSTJZSA-N 1 0 381.411 3.245 20 30 GGEDRO N#Cc1c[nH]c2nc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ncc12 ZINC001164995956 722206196 /nfs/dbraw/zinc/20/61/96/722206196.db2.gz QLBXNCPGOPTXDG-OAQYLSRUSA-N 1 0 376.439 3.214 20 30 GGEDRO COC(=O)c1cc(C#N)cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164998973 722212111 /nfs/dbraw/zinc/21/21/11/722212111.db2.gz YZTQNMWGXRAYCG-QFIPXVFZSA-N 1 0 394.450 3.124 20 30 GGEDRO COC(=O)c1cc(C#N)cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164998962 722212393 /nfs/dbraw/zinc/21/23/93/722212393.db2.gz YZTQNMWGXRAYCG-JOCHJYFZSA-N 1 0 394.450 3.124 20 30 GGEDRO C=CC[C@H]1[N@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCCC1(C)C ZINC001573329693 947425125 /nfs/dbraw/zinc/42/51/25/947425125.db2.gz NMBYTUAYLVEXCY-RTBURBONSA-N 1 0 394.523 3.429 20 30 GGEDRO C=CC[C@@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2 ZINC001573330602 947437455 /nfs/dbraw/zinc/43/74/55/947437455.db2.gz ZNWSGXVTLYTLCJ-CHWSQXEVSA-N 1 0 386.525 3.032 20 30 GGEDRO C=CC[C@@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC001573330606 947438636 /nfs/dbraw/zinc/43/86/36/947438636.db2.gz ZNWSGXVTLYTLCJ-QWHCGFSZSA-N 1 0 386.525 3.032 20 30 GGEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C)c(F)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573341040 947523953 /nfs/dbraw/zinc/52/39/53/947523953.db2.gz GCMHKWGDZHBQGH-UHFFFAOYSA-N 1 0 394.454 3.331 20 30 GGEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000791003142 1126110390 /nfs/dbraw/zinc/11/03/90/1126110390.db2.gz UFBDQPQTAJACJV-GOSISDBHSA-N 1 0 392.268 3.293 20 30 GGEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1OC ZINC000873191114 1126118793 /nfs/dbraw/zinc/11/87/93/1126118793.db2.gz JEEDRXBGYFYZKO-ZHRRBRCNSA-N 1 0 384.476 3.078 20 30 GGEDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001648162335 1126250297 /nfs/dbraw/zinc/25/02/97/1126250297.db2.gz VXDZPOBRHBRWDC-FQEVSTJZSA-N 1 0 376.403 3.252 20 30 GGEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Br)cc2C#N)cc1 ZINC001656294187 1126257545 /nfs/dbraw/zinc/25/75/45/1126257545.db2.gz UFIZZRKERMIULF-LJQANCHMSA-N 1 0 389.293 3.413 20 30 GGEDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000014200954 210110769 /nfs/dbraw/zinc/11/07/69/210110769.db2.gz UMXZHSKIJGXQOE-UTKZUKDTSA-N 1 0 382.460 3.152 20 30 GGEDRO CC[NH+]1CCN([C@@H](C)CNc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000071954184 212057854 /nfs/dbraw/zinc/05/78/54/212057854.db2.gz GVCZRWKRGDTXTA-KRWDZBQOSA-N 1 0 376.508 3.106 20 30 GGEDRO CC(C)(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000115597099 564196411 /nfs/dbraw/zinc/19/64/11/564196411.db2.gz ZONSNVLDZAKESC-KRWDZBQOSA-N 1 0 386.293 3.415 20 30 GGEDRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000115599119 564196684 /nfs/dbraw/zinc/19/66/84/564196684.db2.gz HBJCCLRJTHKVRF-QGZVFWFLSA-N 1 0 386.293 3.415 20 30 GGEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597964 564196840 /nfs/dbraw/zinc/19/68/40/564196840.db2.gz KMMGXPHWAHCJBB-UGSOOPFHSA-N 1 0 386.293 3.458 20 30 GGEDRO C[C@H](C#N)Sc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000005934937 564219319 /nfs/dbraw/zinc/21/93/19/564219319.db2.gz MPTJRVCFZSTSAQ-GFCCVEGCSA-N 1 0 376.551 3.293 20 30 GGEDRO C[C@@H](C#N)Sc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000005934930 564219703 /nfs/dbraw/zinc/21/97/03/564219703.db2.gz MPTJRVCFZSTSAQ-LBPRGKRZSA-N 1 0 376.551 3.293 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)s1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000014200947 564280822 /nfs/dbraw/zinc/28/08/22/564280822.db2.gz QABMXFRYERPWJK-ZDUSSCGKSA-N 1 0 381.295 3.254 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)cccc2I)CC1 ZINC000119840265 564290906 /nfs/dbraw/zinc/29/09/06/564290906.db2.gz ZVFSKZLJMJYLNY-UHFFFAOYSA-N 1 0 398.288 3.370 20 30 GGEDRO COc1ccc(Br)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120187547 564308947 /nfs/dbraw/zinc/30/89/47/564308947.db2.gz CRKGHRZBCAPDNU-UHFFFAOYSA-N 1 0 383.290 3.157 20 30 GGEDRO COCc1c(Br)cccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120302014 564314921 /nfs/dbraw/zinc/31/49/21/564314921.db2.gz XGSSXDHLLBYISR-UHFFFAOYSA-N 1 0 397.317 3.295 20 30 GGEDRO COc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(Br)c1 ZINC000120329100 564315813 /nfs/dbraw/zinc/31/58/13/564315813.db2.gz CIZOUFSLWVCJAU-UHFFFAOYSA-N 1 0 383.290 3.157 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000023410343 564324419 /nfs/dbraw/zinc/32/44/19/564324419.db2.gz XUKRKNINYBKRPS-SUMWQHHRSA-N 1 0 375.266 3.411 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Cl)cc1Br ZINC000121452727 564369522 /nfs/dbraw/zinc/36/95/22/564369522.db2.gz PTWJDKHJNHBSQW-UHFFFAOYSA-N 1 0 382.693 3.344 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000030532659 564382547 /nfs/dbraw/zinc/38/25/47/564382547.db2.gz UTGROLRBXIWTAO-DYVFJYSZSA-N 1 0 375.266 3.411 20 30 GGEDRO C=CCC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000126350007 564546964 /nfs/dbraw/zinc/54/69/64/564546964.db2.gz CJPLFXNTOSAACP-HNNXBMFYSA-N 1 0 381.314 3.427 20 30 GGEDRO C=CCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000126350286 564547006 /nfs/dbraw/zinc/54/70/06/564547006.db2.gz CJPLFXNTOSAACP-OAHLLOKOSA-N 1 0 381.314 3.427 20 30 GGEDRO C[NH+](C)CCCn1c(SCCC#N)nc2sc3c(c2c1=O)CCCC3 ZINC000049552625 564552002 /nfs/dbraw/zinc/55/20/02/564552002.db2.gz IHMQNTHOUOGYNH-UHFFFAOYSA-N 1 0 376.551 3.294 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(Cl)cc2Cl)c1C#N ZINC000128153157 564608332 /nfs/dbraw/zinc/60/83/32/564608332.db2.gz LZDZHFUQMTUPNZ-UHFFFAOYSA-N 1 0 380.279 3.311 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000130890657 564695426 /nfs/dbraw/zinc/69/54/26/564695426.db2.gz PLQOMVITJOLEKJ-INIZCTEOSA-N 1 0 379.298 3.082 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2nnc(SCc3cccs3)s2)CC1 ZINC000063097548 564714175 /nfs/dbraw/zinc/71/41/75/564714175.db2.gz DHCQDYWLXUNIJS-UHFFFAOYSA-N 1 0 378.548 3.176 20 30 GGEDRO CC[NH+](CC)CCN(C(=O)CSCC#N)c1cccc(Br)c1 ZINC000063307110 564716070 /nfs/dbraw/zinc/71/60/70/564716070.db2.gz AYEFMVIKVMARMR-UHFFFAOYSA-N 1 0 384.343 3.381 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000064381343 564728938 /nfs/dbraw/zinc/72/89/38/564728938.db2.gz ZYVCXZOEDBVOPU-UHFFFAOYSA-N 1 0 377.286 3.238 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Sc2ccccc2Cl)c1C#N ZINC000133224599 564766244 /nfs/dbraw/zinc/76/62/44/564766244.db2.gz QVRGIDKJHVTUDH-NSHDSACASA-N 1 0 377.901 3.206 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Br)cc2Cl)c1C#N ZINC000133467958 564774749 /nfs/dbraw/zinc/77/47/49/564774749.db2.gz DYUSSIHGYSOMOZ-UHFFFAOYSA-N 1 0 396.676 3.102 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Br)c(Cl)c2)c1C#N ZINC000133682174 564782059 /nfs/dbraw/zinc/78/20/59/564782059.db2.gz BXCRZSXEDOSHIA-UHFFFAOYSA-N 1 0 396.676 3.102 20 30 GGEDRO C[NH+]1CCN(c2ccc(CNc3ccc(C#N)cc3Br)cn2)CC1 ZINC000134583219 564808330 /nfs/dbraw/zinc/80/83/30/564808330.db2.gz PVKZWZIBJSSUBS-UHFFFAOYSA-N 1 0 386.297 3.080 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)CCSc2ccc(Br)cc2)CC1 ZINC000068432287 564817838 /nfs/dbraw/zinc/81/78/38/564817838.db2.gz FXPVPRXIZLBMJL-UHFFFAOYSA-N 1 0 382.327 3.035 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000068845898 564827577 /nfs/dbraw/zinc/82/75/77/564827577.db2.gz AANUJZYZRWWLHR-KRWDZBQOSA-N 1 0 375.266 3.192 20 30 GGEDRO C=CCNc1ncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000136231851 564847390 /nfs/dbraw/zinc/84/73/90/564847390.db2.gz GTNNUHDWKLFABS-AWEZNQCLSA-N 1 0 376.551 3.445 20 30 GGEDRO Cn1cc(Br)cc1C[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000151556951 564926625 /nfs/dbraw/zinc/92/66/25/564926625.db2.gz VGFBHIDKNXBLET-UHFFFAOYSA-N 1 0 381.299 3.181 20 30 GGEDRO Cn1cc(Br)cc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000151617028 564930329 /nfs/dbraw/zinc/93/03/29/564930329.db2.gz CUBGAWUULKPCKP-UHFFFAOYSA-N 1 0 375.270 3.120 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1Br ZINC000102697680 564932431 /nfs/dbraw/zinc/93/24/31/564932431.db2.gz HWPBKRMWZXORTN-CYBMUJFWSA-N 1 0 394.313 3.451 20 30 GGEDRO C=CCNC(=O)CN[C@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000104076378 564953132 /nfs/dbraw/zinc/95/31/32/564953132.db2.gz QPYADHRYRGXMQL-LJQANCHMSA-N 1 0 389.293 3.439 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCN(C(C)=O)C2)cc1OCC ZINC000152913829 564977064 /nfs/dbraw/zinc/97/70/64/564977064.db2.gz PQCZICZPMTZAOR-OAHLLOKOSA-N 1 0 397.313 3.123 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000106275219 564981040 /nfs/dbraw/zinc/98/10/40/564981040.db2.gz MSDACZPLJAXEOY-UHFFFAOYSA-N 1 0 386.327 3.140 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155166412 565063447 /nfs/dbraw/zinc/06/34/47/565063447.db2.gz HSIFYCWOADYOOG-UHFFFAOYSA-N 1 0 398.261 3.057 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000183545374 565078753 /nfs/dbraw/zinc/07/87/53/565078753.db2.gz TZMUQJNQAXUUKA-UHFFFAOYSA-N 1 0 396.304 3.306 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000292953422 565143159 /nfs/dbraw/zinc/14/31/59/565143159.db2.gz ASVJDVWDWLBEFM-UHFFFAOYSA-N 1 0 389.297 3.015 20 30 GGEDRO CC(C)N1CC[NH+](C2CCN(c3ccc(C#N)cc3Br)CC2)CC1 ZINC000270466501 565219536 /nfs/dbraw/zinc/21/95/36/565219536.db2.gz FKHHQIDNAASZPH-UHFFFAOYSA-N 1 0 391.357 3.316 20 30 GGEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000185860962 565224682 /nfs/dbraw/zinc/22/46/82/565224682.db2.gz WMPWHBDNNXEXDQ-WMLDXEAASA-N 1 0 378.314 3.458 20 30 GGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000185860998 565225473 /nfs/dbraw/zinc/22/54/73/565225473.db2.gz WMPWHBDNNXEXDQ-RHSMWYFYSA-N 1 0 378.314 3.458 20 30 GGEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000185931460 565230073 /nfs/dbraw/zinc/23/00/73/565230073.db2.gz CBENDBWLIQCTIO-INIZCTEOSA-N 1 0 380.330 3.464 20 30 GGEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000185931474 565230331 /nfs/dbraw/zinc/23/03/31/565230331.db2.gz CBENDBWLIQCTIO-MRXNPFEDSA-N 1 0 380.330 3.464 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000294986898 565238291 /nfs/dbraw/zinc/23/82/91/565238291.db2.gz OFJXMMYIUKWZIS-UHFFFAOYSA-N 1 0 376.298 3.411 20 30 GGEDRO COc1cc(Br)cc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000271223183 565244208 /nfs/dbraw/zinc/24/42/08/565244208.db2.gz NWMQUWUCZQSXRM-UHFFFAOYSA-N 1 0 383.290 3.157 20 30 GGEDRO C[C@@H]1C[N@@H+](CC2CCN(c3ncc(Br)cc3C#N)CC2)C[C@H](C)O1 ZINC000295431208 565265624 /nfs/dbraw/zinc/26/56/24/565265624.db2.gz FSAMINHXRXQKAA-OKILXGFUSA-N 1 0 393.329 3.041 20 30 GGEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c(C#N)c1C ZINC000271709541 565266002 /nfs/dbraw/zinc/26/60/02/565266002.db2.gz AOFVCQUESITGFT-YDBLSZJJSA-N 1 0 375.519 3.263 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3c(Br)cc(C)cc3C2)CC1 ZINC000186769539 565283963 /nfs/dbraw/zinc/28/39/63/565283963.db2.gz UYLXYZZVLYCXCK-UHFFFAOYSA-N 1 0 392.341 3.476 20 30 GGEDRO C#CCSCC[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272588951 565291716 /nfs/dbraw/zinc/29/17/16/565291716.db2.gz HPLJFZQFPLNJFQ-LJQANCHMSA-N 1 0 377.506 3.275 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000272850247 565299190 /nfs/dbraw/zinc/29/91/90/565299190.db2.gz KYJGYLMBELPTLJ-ZDUSSCGKSA-N 1 0 380.535 3.379 20 30 GGEDRO COc1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)ccc1C#N ZINC000374238126 565326938 /nfs/dbraw/zinc/32/69/38/565326938.db2.gz CHXDGNOAVSUVOM-UHFFFAOYSA-N 1 0 375.270 3.363 20 30 GGEDRO CS[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]1[NH+](C)C ZINC000273755894 565334231 /nfs/dbraw/zinc/33/42/31/565334231.db2.gz UKQOWHOKBWITDU-FRFSOERESA-N 1 0 378.567 3.448 20 30 GGEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C2)C1 ZINC000297140256 565357800 /nfs/dbraw/zinc/35/78/00/565357800.db2.gz SVQQIMFWEHRWDC-KRWDZBQOSA-N 1 0 377.286 3.270 20 30 GGEDRO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000164954595 565366001 /nfs/dbraw/zinc/36/60/01/565366001.db2.gz JSFXBZPAEYZXMD-CQSZACIVSA-N 1 0 398.320 3.461 20 30 GGEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(Br)cc3C#N)C2)CC1 ZINC000297551927 565377081 /nfs/dbraw/zinc/37/70/81/565377081.db2.gz QWZJQIBQISAJBJ-CQSZACIVSA-N 1 0 376.298 3.125 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCc2sccc2Br)cc1OC ZINC000170913240 565398235 /nfs/dbraw/zinc/39/82/35/565398235.db2.gz SYKIUFKAKCBYJM-UHFFFAOYSA-N 1 0 384.299 3.132 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000171557877 565437569 /nfs/dbraw/zinc/43/75/69/565437569.db2.gz IKLVJGORFIIFFG-UHFFFAOYSA-N 1 0 384.293 3.428 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000376508479 565440191 /nfs/dbraw/zinc/44/01/91/565440191.db2.gz UWSHPAROAXVDCW-KDOFPFPSSA-N 1 0 388.309 3.296 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000171725499 565446516 /nfs/dbraw/zinc/44/65/16/565446516.db2.gz HNLHGZWLNKZIGU-AWEZNQCLSA-N 1 0 380.330 3.330 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000171725503 565446563 /nfs/dbraw/zinc/44/65/63/565446563.db2.gz HNLHGZWLNKZIGU-CQSZACIVSA-N 1 0 380.330 3.330 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000171727860 565447279 /nfs/dbraw/zinc/44/72/79/565447279.db2.gz WNPZYGMBCJQETL-UHFFFAOYSA-N 1 0 387.705 3.248 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(I)c2)CC1 ZINC000171737947 565448014 /nfs/dbraw/zinc/44/80/14/565448014.db2.gz LIZYJRAGDMVUNY-UHFFFAOYSA-N 1 0 385.249 3.063 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000171811696 565451689 /nfs/dbraw/zinc/45/16/89/565451689.db2.gz HHDVLOYCGMHZSW-UHFFFAOYSA-N 1 0 377.286 3.096 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000172150901 565468150 /nfs/dbraw/zinc/46/81/50/565468150.db2.gz LWAVVOTUGSFXEZ-UHFFFAOYSA-N 1 0 392.341 3.430 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000172289711 565476074 /nfs/dbraw/zinc/47/60/74/565476074.db2.gz SZEKLMRHABXBET-UHFFFAOYSA-N 1 0 380.330 3.331 20 30 GGEDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(OCC#N)cc1 ZINC000277165170 565480305 /nfs/dbraw/zinc/48/03/05/565480305.db2.gz ROARXIXMBUJWLB-ZDUSSCGKSA-N 1 0 378.881 3.497 20 30 GGEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000189983761 565500820 /nfs/dbraw/zinc/50/08/20/565500820.db2.gz AAMKIVWPJXLVPH-CQSZACIVSA-N 1 0 375.519 3.353 20 30 GGEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000189984844 565501016 /nfs/dbraw/zinc/50/10/16/565501016.db2.gz QEZQRNXMBQFZPZ-CQSZACIVSA-N 1 0 375.519 3.353 20 30 GGEDRO C=CC[NH+]1CCC(Nc2ncnc3ccc(I)cc32)CC1 ZINC000172757688 565502349 /nfs/dbraw/zinc/50/23/49/565502349.db2.gz UOUDNKXTZYKUIE-UHFFFAOYSA-N 1 0 394.260 3.297 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000172908691 565511525 /nfs/dbraw/zinc/51/15/25/565511525.db2.gz WENYOVWPZHTURZ-CQSZACIVSA-N 1 0 393.325 3.425 20 30 GGEDRO O=C(NCC[NH2+][C@H](c1ccc(Br)s1)C1CC1)C1N=CC=CC1=O ZINC000190629537 565547249 /nfs/dbraw/zinc/54/72/49/565547249.db2.gz UGVWXBXSYIJELE-DQHOPXMZSA-N 1 0 396.310 3.078 20 30 GGEDRO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000390769038 565557583 /nfs/dbraw/zinc/55/75/83/565557583.db2.gz UKAIJZVOWRHRDY-AWEZNQCLSA-N 1 0 377.897 3.010 20 30 GGEDRO C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)[N@H+](C)Cc1ccccc1 ZINC000390750173 565558184 /nfs/dbraw/zinc/55/81/84/565558184.db2.gz COANLTFDKZPGNR-CQSZACIVSA-N 1 0 377.897 3.010 20 30 GGEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000303436439 565570106 /nfs/dbraw/zinc/57/01/06/565570106.db2.gz DPXYGPOFBQSWTP-AWEZNQCLSA-N 1 0 383.945 3.391 20 30 GGEDRO Cn1cc(CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1C#N ZINC000191210180 565588886 /nfs/dbraw/zinc/58/88/86/565588886.db2.gz FLQPSRSVCRTLPD-UHFFFAOYSA-N 1 0 377.275 3.162 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(Br)cc1 ZINC000320981446 565604559 /nfs/dbraw/zinc/60/45/59/565604559.db2.gz BINSPPWPYOBGAF-DYVFJYSZSA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408430384 565609822 /nfs/dbraw/zinc/60/98/22/565609822.db2.gz STTQIIPJMQRIDF-QLFBSQMISA-N 1 0 381.929 3.238 20 30 GGEDRO N#CCSCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000174126718 565615779 /nfs/dbraw/zinc/61/57/79/565615779.db2.gz CLLZHLCZYRZFKU-ZDUSSCGKSA-N 1 0 397.342 3.141 20 30 GGEDRO COc1nc(N2CC[NH+](CCCCC(C)(C)C#N)CC2)ncc1Br ZINC000409449163 565616247 /nfs/dbraw/zinc/61/62/47/565616247.db2.gz XWYJQGROWBBQLX-UHFFFAOYSA-N 1 0 396.333 3.090 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000325841095 565622819 /nfs/dbraw/zinc/62/28/19/565622819.db2.gz XSGZPKLSHWXNHH-UHFFFAOYSA-N 1 0 383.300 3.471 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC000174244465 565623946 /nfs/dbraw/zinc/62/39/46/565623946.db2.gz SATZJZPMTZZYCX-UHFFFAOYSA-N 1 0 376.448 3.344 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000191787741 565631347 /nfs/dbraw/zinc/63/13/47/565631347.db2.gz OVAXTJNTUKFZNF-CQSZACIVSA-N 1 0 386.297 3.238 20 30 GGEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1ccc(C#N)o1 ZINC000174376392 565632031 /nfs/dbraw/zinc/63/20/31/565632031.db2.gz DWSYDTUNWMTIFO-UHFFFAOYSA-N 1 0 376.254 3.052 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000191815198 565635765 /nfs/dbraw/zinc/63/57/65/565635765.db2.gz YOCPQWSWDVKABX-KDOFPFPSSA-N 1 0 388.309 3.296 20 30 GGEDRO CN(Cc1cc(C#N)ccc1Br)CC(C)(C)C[NH+]1CCOCC1 ZINC000191815549 565635947 /nfs/dbraw/zinc/63/59/47/565635947.db2.gz DZPQLCQNCXILFI-UHFFFAOYSA-N 1 0 380.330 3.111 20 30 GGEDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)sc1Cl ZINC000191892782 565640791 /nfs/dbraw/zinc/64/07/91/565640791.db2.gz AFZMIFQRNYUVQJ-UHFFFAOYSA-N 1 0 397.953 3.334 20 30 GGEDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)sc1Cl ZINC000191915523 565642758 /nfs/dbraw/zinc/64/27/58/565642758.db2.gz AJYDFOQMYWBMFC-UHFFFAOYSA-N 1 0 397.953 3.334 20 30 GGEDRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328835155 565642973 /nfs/dbraw/zinc/64/29/73/565642973.db2.gz SGGGONUFGNVZCX-ZFVVBOAOSA-N 1 0 397.313 3.287 20 30 GGEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000328847128 565644948 /nfs/dbraw/zinc/64/49/48/565644948.db2.gz VRMWEJJBNNNLHG-RBSFLKMASA-N 1 0 398.276 3.152 20 30 GGEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192088410 565657522 /nfs/dbraw/zinc/65/75/22/565657522.db2.gz ZDISAVKMJDDHMG-GDBMZVCRSA-N 1 0 379.844 3.471 20 30 GGEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192088416 565658201 /nfs/dbraw/zinc/65/82/01/565658201.db2.gz ZDISAVKMJDDHMG-ZBFHGGJFSA-N 1 0 379.844 3.471 20 30 GGEDRO COc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc(OC)c1Br ZINC000329213240 565659485 /nfs/dbraw/zinc/65/94/85/565659485.db2.gz JCONBBBVAQUYEZ-QWHCGFSZSA-N 1 0 398.301 3.228 20 30 GGEDRO COc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(OC)c1Br ZINC000329213241 565659738 /nfs/dbraw/zinc/65/97/38/565659738.db2.gz JCONBBBVAQUYEZ-STQMWFEESA-N 1 0 398.301 3.228 20 30 GGEDRO CC(=O)Nc1ncc(S(=O)(=O)NC(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000329235796 565661052 /nfs/dbraw/zinc/66/10/52/565661052.db2.gz NUKLMNFWWWPYDV-UHFFFAOYSA-N 1 0 388.559 3.074 20 30 GGEDRO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329427267 565666051 /nfs/dbraw/zinc/66/60/51/565666051.db2.gz JDAYDPRKPCATBG-RISCZKNCSA-N 1 0 390.285 3.345 20 30 GGEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280417573 565670827 /nfs/dbraw/zinc/67/08/27/565670827.db2.gz YZMVWPACIWWXSH-KRWDZBQOSA-N 1 0 377.897 3.361 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@H+]2CCSC[C@@H]2CO)sc2c1CCCCC2 ZINC000329682832 565675415 /nfs/dbraw/zinc/67/54/15/565675415.db2.gz YUDLJMMWCXEYMP-ZDUSSCGKSA-N 1 0 379.551 3.276 20 30 GGEDRO OC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccc1OC(F)(F)F ZINC000280554392 565680156 /nfs/dbraw/zinc/68/01/56/565680156.db2.gz QRVNGGCOARITDO-SNVBAGLBSA-N 1 0 379.272 3.125 20 30 GGEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000329811621 565681041 /nfs/dbraw/zinc/68/10/41/565681041.db2.gz BXHMJDLNWGPUGT-MRXNPFEDSA-N 1 0 396.329 3.189 20 30 GGEDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)s1 ZINC000280631339 565684411 /nfs/dbraw/zinc/68/44/11/565684411.db2.gz QMLRWQZIWLFHQC-UHFFFAOYSA-N 1 0 377.535 3.181 20 30 GGEDRO C[C@@H]1OCC[C@]12CN(CC(=O)NCCc1cccc(Cl)c1Cl)CCO2 ZINC000329904823 565684610 /nfs/dbraw/zinc/68/46/10/565684610.db2.gz JIQACXLKTQUCKO-UGSOOPFHSA-N 1 0 387.307 3.372 20 30 GGEDRO [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@@H]1CCc2c1cccc2Br ZINC000329956784 565687417 /nfs/dbraw/zinc/68/74/17/565687417.db2.gz PDXSFTUFCKNUHL-BLLLJJGKSA-N 1 0 389.297 3.399 20 30 GGEDRO N#CC1(CS(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCCC1 ZINC000329994123 565688611 /nfs/dbraw/zinc/68/86/11/565688611.db2.gz LXKIICXQQCSMBH-INIZCTEOSA-N 1 0 381.567 3.278 20 30 GGEDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000175406440 565698372 /nfs/dbraw/zinc/69/83/72/565698372.db2.gz AHNKLZCKMHFMGT-YMXBGEKHSA-N 1 0 375.519 3.379 20 30 GGEDRO CCN1CCN(C(=O)Nc2cc(Br)ccc2C)C[C@H]1c1ncc[nH]1 ZINC000330346790 565701679 /nfs/dbraw/zinc/70/16/79/565701679.db2.gz GZVGQMBOHHEAIW-HNNXBMFYSA-N 1 0 392.301 3.405 20 30 GGEDRO CCN1CCN(C(=O)Nc2ccc(C)c(Br)c2)C[C@@H]1c1ncc[nH]1 ZINC000330326659 565701991 /nfs/dbraw/zinc/70/19/91/565701991.db2.gz KGDPKFCWDDPCMU-OAHLLOKOSA-N 1 0 392.301 3.405 20 30 GGEDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Br)ccc1Cl ZINC000330605750 565714234 /nfs/dbraw/zinc/71/42/34/565714234.db2.gz JZBHAXRLLNQZSF-GFCCVEGCSA-N 1 0 375.694 3.254 20 30 GGEDRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000330647946 565716541 /nfs/dbraw/zinc/71/65/41/565716541.db2.gz KAJNVXCNAFRXRC-WBMJQRKESA-N 1 0 384.318 3.123 20 30 GGEDRO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000330647944 565717271 /nfs/dbraw/zinc/71/72/71/565717271.db2.gz KAJNVXCNAFRXRC-LRDDRELGSA-N 1 0 384.318 3.123 20 30 GGEDRO COc1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc(OC)c1Br ZINC000330883730 565727427 /nfs/dbraw/zinc/72/74/27/565727427.db2.gz KBDZKUWWYHMTBL-MNOVXSKESA-N 1 0 386.290 3.036 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1Cl ZINC000330971182 565733477 /nfs/dbraw/zinc/73/34/77/565733477.db2.gz FKLDRLLYZCSYLC-VXGBXAGGSA-N 1 0 390.311 3.325 20 30 GGEDRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1C ZINC000331098814 565738802 /nfs/dbraw/zinc/73/88/02/565738802.db2.gz DWNWVCHPAAXRHI-RYUDHWBXSA-N 1 0 398.301 3.114 20 30 GGEDRO COc1ccc(Br)c(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000331114074 565740071 /nfs/dbraw/zinc/74/00/71/565740071.db2.gz CVXOJOAATBHXGA-KGLIPLIRSA-N 1 0 384.318 3.334 20 30 GGEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000331167586 565743081 /nfs/dbraw/zinc/74/30/81/565743081.db2.gz IJDBMXDPKIZKNA-MNOVXSKESA-N 1 0 379.810 3.291 20 30 GGEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000331162133 565743741 /nfs/dbraw/zinc/74/37/41/565743741.db2.gz LJHPRIGMQDIHKR-JTQLQIEISA-N 1 0 378.275 3.455 20 30 GGEDRO COCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCSC1 ZINC000411758999 565750181 /nfs/dbraw/zinc/75/01/81/565750181.db2.gz PHVBZHNJPCPRDO-MRXNPFEDSA-N 1 0 381.929 3.384 20 30 GGEDRO COc1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1Br ZINC000331280672 565751436 /nfs/dbraw/zinc/75/14/36/565751436.db2.gz IBACEIYUINGTKS-OAHLLOKOSA-N 1 0 388.331 3.221 20 30 GGEDRO COc1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1Br ZINC000331280671 565751570 /nfs/dbraw/zinc/75/15/70/565751570.db2.gz IBACEIYUINGTKS-HNNXBMFYSA-N 1 0 388.331 3.221 20 30 GGEDRO Cc1cc(Br)cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000331287278 565751769 /nfs/dbraw/zinc/75/17/69/565751769.db2.gz HPJRMGNFMSANIS-ZDUSSCGKSA-N 1 0 384.318 3.080 20 30 GGEDRO COc1c(Cl)cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1Cl ZINC000331293325 565753316 /nfs/dbraw/zinc/75/33/16/565753316.db2.gz LTHFGOJDVDGYGA-LLVKDONJSA-N 1 0 390.311 3.325 20 30 GGEDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(Cl)c(Br)c1 ZINC000331358967 565756183 /nfs/dbraw/zinc/75/61/83/565756183.db2.gz VWJBOHCPCVPBRS-LBPRGKRZSA-N 1 0 375.694 3.254 20 30 GGEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000331462403 565761093 /nfs/dbraw/zinc/76/10/93/565761093.db2.gz FYJJCBAVUFDNHV-CQSZACIVSA-N 1 0 383.323 3.266 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c(Br)c1 ZINC000411969911 565762952 /nfs/dbraw/zinc/76/29/52/565762952.db2.gz CONMPRAOKMIHED-DLBZAZTESA-N 1 0 384.277 3.022 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c(Br)c1 ZINC000412051413 565768650 /nfs/dbraw/zinc/76/86/50/565768650.db2.gz AGOBVUWZGXVEBL-MRXNPFEDSA-N 1 0 376.298 3.298 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000176498059 565777606 /nfs/dbraw/zinc/77/76/06/565777606.db2.gz HGEOYNQNTBVUCX-UHFFFAOYSA-N 1 0 376.448 3.044 20 30 GGEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282482978 565781153 /nfs/dbraw/zinc/78/11/53/565781153.db2.gz HEMMJJIXUNLPSY-GOSISDBHSA-N 1 0 375.881 3.203 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCc2ccsc2Br)cc1OC ZINC000282564471 565785895 /nfs/dbraw/zinc/78/58/95/565785895.db2.gz JXYZALXWOGMUFT-UHFFFAOYSA-N 1 0 384.299 3.132 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1occc1Br ZINC000176730565 565798474 /nfs/dbraw/zinc/79/84/74/565798474.db2.gz KXDMVXODCLXGKY-UHFFFAOYSA-N 1 0 376.254 3.118 20 30 GGEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000176880405 565811654 /nfs/dbraw/zinc/81/16/54/565811654.db2.gz BADPSJDVJBSHAD-ZDUSSCGKSA-N 1 0 393.306 3.445 20 30 GGEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000176880422 565811777 /nfs/dbraw/zinc/81/17/77/565811777.db2.gz BADPSJDVJBSHAD-CYBMUJFWSA-N 1 0 393.306 3.445 20 30 GGEDRO Cn1cc(Br)cc1C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000177113535 565829495 /nfs/dbraw/zinc/82/94/95/565829495.db2.gz FAUULRHFOKHWJS-UHFFFAOYSA-N 1 0 375.270 3.120 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000177239793 565837287 /nfs/dbraw/zinc/83/72/87/565837287.db2.gz DICJWUQGKHUDBQ-CQSZACIVSA-N 1 0 380.330 3.330 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1csc(CC[NH3+])n1 ZINC000194794985 565838231 /nfs/dbraw/zinc/83/82/31/565838231.db2.gz AXOVWOZSLULZKJ-UHFFFAOYSA-N 1 0 398.301 3.374 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1occc1Br ZINC000177360305 565845420 /nfs/dbraw/zinc/84/54/20/565845420.db2.gz MJZJQWXMQSQHET-UHFFFAOYSA-N 1 0 376.254 3.118 20 30 GGEDRO CC1(NC(=S)C(C(=O)c2ccc(Cl)cc2)[n+]2cccc(CO)c2)CC1 ZINC000284549737 565858958 /nfs/dbraw/zinc/85/89/58/565858958.db2.gz VWTCGBNKSDIPFR-UHFFFAOYSA-O 1 0 375.901 3.201 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(I)cc(C)c2C)CC1 ZINC000178115063 565897733 /nfs/dbraw/zinc/89/77/33/565897733.db2.gz LEBSLGHFCPAALK-UHFFFAOYSA-N 1 0 398.288 3.288 20 30 GGEDRO COc1ccc(C[NH2+]CCn2cc(Br)cn2)cc1OCCCC#N ZINC000285425349 565907305 /nfs/dbraw/zinc/90/73/05/565907305.db2.gz GZLCBZJGNGAEHI-UHFFFAOYSA-N 1 0 393.285 3.127 20 30 GGEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000414495901 565943343 /nfs/dbraw/zinc/94/33/43/565943343.db2.gz OWNQATXUGAAQAS-UHFFFAOYSA-N 1 0 378.881 3.304 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000178887820 565944124 /nfs/dbraw/zinc/94/41/24/565944124.db2.gz KWZGBDFDRNPRGR-UHFFFAOYSA-N 1 0 389.297 3.015 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(Br)c1 ZINC000286312019 565952723 /nfs/dbraw/zinc/95/27/23/565952723.db2.gz CYILNMJCMHESOG-QWHCGFSZSA-N 1 0 377.204 3.313 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(Br)c1 ZINC000286312022 565953137 /nfs/dbraw/zinc/95/31/37/565953137.db2.gz CYILNMJCMHESOG-STQMWFEESA-N 1 0 377.204 3.313 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000237728652 565968902 /nfs/dbraw/zinc/96/89/02/565968902.db2.gz RZHJAKPYIGWGSC-UHFFFAOYSA-N 1 0 379.917 3.054 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179290777 565971959 /nfs/dbraw/zinc/97/19/59/565971959.db2.gz ZZDCKYWMMAGHMV-UHFFFAOYSA-N 1 0 384.977 3.125 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(OC)c(Br)c(OC)c2)CC1 ZINC000179905475 566017416 /nfs/dbraw/zinc/01/74/16/566017416.db2.gz PAFLNUGEQCXYNR-UHFFFAOYSA-N 1 0 398.301 3.238 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415811791 566019732 /nfs/dbraw/zinc/01/97/32/566019732.db2.gz ZEZRNOOTILBNPL-SNVBAGLBSA-N 1 0 378.217 3.118 20 30 GGEDRO [NH3+]CC[C@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000415986444 566023599 /nfs/dbraw/zinc/02/35/99/566023599.db2.gz ANYINABTCCZJKI-WPRPVWTQSA-N 1 0 379.251 3.147 20 30 GGEDRO CN(C(=O)COc1cccc(Br)c1C#N)C(C)(C)C[NH+]1CCCC1 ZINC000416108647 566034220 /nfs/dbraw/zinc/03/42/20/566034220.db2.gz QTQYSAGJOIHDTL-UHFFFAOYSA-N 1 0 394.313 3.032 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(Br)c1 ZINC000364448501 566052965 /nfs/dbraw/zinc/05/29/65/566052965.db2.gz RAZQKNKUSKPSJU-IBGZPJMESA-N 1 0 382.261 3.417 20 30 GGEDRO C[C@@H](C#N)S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000416393512 566061513 /nfs/dbraw/zinc/06/15/13/566061513.db2.gz SMYASVFWZGVHAW-ZDUSSCGKSA-N 1 0 390.336 3.133 20 30 GGEDRO C[C@@H](C#N)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000416482795 566073956 /nfs/dbraw/zinc/07/39/56/566073956.db2.gz ZVXWEMQIBLGNGL-NYXIWFNCSA-N 1 0 381.929 3.085 20 30 GGEDRO CC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(Br)c1 ZINC000180881902 566096894 /nfs/dbraw/zinc/09/68/94/566096894.db2.gz OMFDROGVWYOKDO-UPTRSRDDSA-N 1 0 378.270 3.016 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 ZINC000249134922 566097885 /nfs/dbraw/zinc/09/78/85/566097885.db2.gz YOCPQWSWDVKABX-KBXCAEBGSA-N 1 0 388.309 3.296 20 30 GGEDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181041454 566108583 /nfs/dbraw/zinc/10/85/83/566108583.db2.gz AVEBLNOOUMCXLM-INIZCTEOSA-N 1 0 378.314 3.449 20 30 GGEDRO C#CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365694997 566114750 /nfs/dbraw/zinc/11/47/50/566114750.db2.gz HBPYTOPMXATUDV-QGZVFWFLSA-N 1 0 391.309 3.076 20 30 GGEDRO COC(=O)c1sc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc1Cl ZINC000181215032 566124808 /nfs/dbraw/zinc/12/48/08/566124808.db2.gz WWYZCYCYBJHQBZ-UHFFFAOYSA-N 1 0 378.885 3.023 20 30 GGEDRO CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000261748583 566132041 /nfs/dbraw/zinc/13/20/41/566132041.db2.gz VZCQJWZAGWDXHB-KRWDZBQOSA-N 1 0 377.897 3.313 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000181436826 566140845 /nfs/dbraw/zinc/14/08/45/566140845.db2.gz ACLFYCYZRGWFQI-GOSISDBHSA-N 1 0 378.314 3.058 20 30 GGEDRO C[N@@H+]1CCC[C@H]1CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181441579 566140958 /nfs/dbraw/zinc/14/09/58/566140958.db2.gz MXJWNDOYVKGZKV-OALUTQOASA-N 1 0 391.357 3.116 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000262043390 566146019 /nfs/dbraw/zinc/14/60/19/566146019.db2.gz PMRHVFWFIQHLGF-SFHVURJKSA-N 1 0 381.314 3.208 20 30 GGEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCCC1)c1cccs1 ZINC000262690421 566157624 /nfs/dbraw/zinc/15/76/24/566157624.db2.gz AAIMKPPKFWAOKD-GJZGRUSLSA-N 1 0 383.583 3.112 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000182022910 566178352 /nfs/dbraw/zinc/17/83/52/566178352.db2.gz NQWIIQOKQWCCCF-XJKSGUPXSA-N 1 0 375.266 3.411 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000182074855 566180772 /nfs/dbraw/zinc/18/07/72/566180772.db2.gz ZQEYFLDVFFLKQE-QWHCGFSZSA-N 1 0 382.302 3.116 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)nc1 ZINC000290628410 566181788 /nfs/dbraw/zinc/18/17/88/566181788.db2.gz IWRRYTPIWSCHBE-DYVFJYSZSA-N 1 0 399.292 3.167 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)nc1 ZINC000290628424 566181848 /nfs/dbraw/zinc/18/18/48/566181848.db2.gz IWRRYTPIWSCHBE-SUMWQHHRSA-N 1 0 399.292 3.167 20 30 GGEDRO N#Cc1ncn(CC[NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)n1 ZINC000367597111 566208495 /nfs/dbraw/zinc/20/84/95/566208495.db2.gz QXLDIMRNZUWECB-UHFFFAOYSA-N 1 0 379.276 3.370 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418336376 566210282 /nfs/dbraw/zinc/21/02/82/566210282.db2.gz IKCVXKLAGMMXRK-CYBMUJFWSA-N 1 0 384.293 3.285 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000291234002 566211121 /nfs/dbraw/zinc/21/11/21/566211121.db2.gz MJEBXWOZTCLSLS-SAABIXHNSA-N 1 0 375.310 3.157 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1=CC[NH2+]CC1 ZINC000418536997 566215664 /nfs/dbraw/zinc/21/56/64/566215664.db2.gz HWIIRWQNGKBAFJ-UHFFFAOYSA-N 1 0 382.277 3.206 20 30 GGEDRO C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183016613 566235268 /nfs/dbraw/zinc/23/52/68/566235268.db2.gz GYLSXKGYDIHXNJ-KBPBESRZSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000444767012 566251829 /nfs/dbraw/zinc/25/18/29/566251829.db2.gz OESTVKDEPJXQIV-NSHDSACASA-N 1 0 378.295 3.349 20 30 GGEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000508938115 566251964 /nfs/dbraw/zinc/25/19/64/566251964.db2.gz GVXJSIKKPDRFFV-MRXNPFEDSA-N 1 0 388.313 3.178 20 30 GGEDRO CCOC1CC(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1 ZINC000509007268 566254477 /nfs/dbraw/zinc/25/44/77/566254477.db2.gz OUJNRBIFJFAGAJ-XUJQIHCRSA-N 1 0 392.341 3.446 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599416141 566264487 /nfs/dbraw/zinc/26/44/87/566264487.db2.gz SZBFBGUNFXFRGD-OAHLLOKOSA-N 1 0 377.535 3.092 20 30 GGEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526030 566272565 /nfs/dbraw/zinc/27/25/65/566272565.db2.gz CBZIIAFANAEXCE-CJNGLKHVSA-N 1 0 396.354 3.376 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CCCCC1 ZINC000599665263 566284808 /nfs/dbraw/zinc/28/48/08/566284808.db2.gz HUGZKVYKRSFVNQ-INIZCTEOSA-N 1 0 384.307 3.349 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3ccc(Br)cc3C2)CC1 ZINC000556453709 566303662 /nfs/dbraw/zinc/30/36/62/566303662.db2.gz ZUTXAQJLIBEFBH-UHFFFAOYSA-N 1 0 378.314 3.167 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648773383 566310750 /nfs/dbraw/zinc/31/07/50/566310750.db2.gz GCLVPIBDXHDZEF-UHFFFAOYSA-N 1 0 391.313 3.106 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Cl)c(Br)c1 ZINC000556808351 566334005 /nfs/dbraw/zinc/33/40/05/566334005.db2.gz FNEFHVAHYGWYCG-UHFFFAOYSA-N 1 0 382.693 3.174 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(Br)cc2)cc1 ZINC000576391296 566341339 /nfs/dbraw/zinc/34/13/39/566341339.db2.gz RMPAYLBVRWIKHO-SFHVURJKSA-N 1 0 389.293 3.087 20 30 GGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000556915167 566342426 /nfs/dbraw/zinc/34/24/26/566342426.db2.gz NSEGMJMLDGUFFP-KBPBESRZSA-N 1 0 389.359 3.308 20 30 GGEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1cc(Br)ccc1F ZINC000600720691 566358348 /nfs/dbraw/zinc/35/83/48/566358348.db2.gz JQMRJQOHNOUVHG-INIZCTEOSA-N 1 0 393.256 3.032 20 30 GGEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600717676 566358376 /nfs/dbraw/zinc/35/83/76/566358376.db2.gz SLHODTFBJSRIBE-KBXCAEBGSA-N 1 0 389.293 3.281 20 30 GGEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000600720386 566358654 /nfs/dbraw/zinc/35/86/54/566358654.db2.gz PCDMGOSHHNGRSF-HNNXBMFYSA-N 1 0 393.256 3.032 20 30 GGEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCOc1cccc(Cl)c1Cl ZINC000600717958 566359609 /nfs/dbraw/zinc/35/96/09/566359609.db2.gz DKVZCERYCJMHLO-CQSZACIVSA-N 1 0 381.259 3.273 20 30 GGEDRO Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)c1Br ZINC000600734050 566360272 /nfs/dbraw/zinc/36/02/72/566360272.db2.gz NNKMENRRDRXHAO-INIZCTEOSA-N 1 0 375.266 3.159 20 30 GGEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCc1cccc(Br)c1 ZINC000600722972 566361335 /nfs/dbraw/zinc/36/13/35/566361335.db2.gz SOEQQKDOKYMHKN-SFHVURJKSA-N 1 0 389.293 3.283 20 30 GGEDRO C=CCC[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483248237 566367368 /nfs/dbraw/zinc/36/73/68/566367368.db2.gz DSVFFHKBSFHNSP-SMDDNHRTSA-N 1 0 382.220 3.418 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)cc1F ZINC000421385596 566370633 /nfs/dbraw/zinc/37/06/33/566370633.db2.gz LPOMICZNLUPKJY-CQSZACIVSA-N 1 0 377.257 3.401 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cc1F ZINC000421398706 566371643 /nfs/dbraw/zinc/37/16/43/566371643.db2.gz STFDRXSQJAAFGB-HNNXBMFYSA-N 1 0 377.257 3.401 20 30 GGEDRO CCC[N@H+](CCOc1c(Cl)cc(Cl)cc1Cl)CC(=O)NCC#N ZINC000483288031 566371593 /nfs/dbraw/zinc/37/15/93/566371593.db2.gz VGJXFXCRDMUSIO-UHFFFAOYSA-N 1 0 378.687 3.377 20 30 GGEDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000510362720 566378446 /nfs/dbraw/zinc/37/84/46/566378446.db2.gz IHTXHJHGLNWTHS-IUODEOHRSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000510398531 566379796 /nfs/dbraw/zinc/37/97/96/566379796.db2.gz WCXQFEAQMZVNGL-LRDDRELGSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000510395298 566380026 /nfs/dbraw/zinc/38/00/26/566380026.db2.gz MJQJJDPIVHDGIM-WFASDCNBSA-N 1 0 381.885 3.212 20 30 GGEDRO N#Cc1csc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000447057183 566381120 /nfs/dbraw/zinc/38/11/20/566381120.db2.gz DQBZZNYTLQXSJP-HNNXBMFYSA-N 1 0 376.279 3.277 20 30 GGEDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000510432491 566382935 /nfs/dbraw/zinc/38/29/35/566382935.db2.gz TZKDOIGUYKTHOJ-WFASDCNBSA-N 1 0 381.885 3.212 20 30 GGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000601127215 566391699 /nfs/dbraw/zinc/39/16/99/566391699.db2.gz BVSXHEVKDZQIRA-KRWDZBQOSA-N 1 0 375.881 3.026 20 30 GGEDRO CC[C@H](Cc1ccccc1Br)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000536793000 566401008 /nfs/dbraw/zinc/40/10/08/566401008.db2.gz QWUYUDWLUFYSIW-CQSZACIVSA-N 1 0 378.314 3.122 20 30 GGEDRO CC[C@@H](Cc1ccccc1Br)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000536792992 566401064 /nfs/dbraw/zinc/40/10/64/566401064.db2.gz QWUYUDWLUFYSIW-AWEZNQCLSA-N 1 0 378.314 3.122 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000537288828 566435576 /nfs/dbraw/zinc/43/55/76/566435576.db2.gz ARDAMNCHVGGJEU-UHFFFAOYSA-N 1 0 383.323 3.268 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2Br)cc1 ZINC000577503922 566440451 /nfs/dbraw/zinc/44/04/51/566440451.db2.gz WZYDAVKTSKNTMY-UCLAIMLFSA-N 1 0 387.277 3.206 20 30 GGEDRO N#Cc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000558116335 566450476 /nfs/dbraw/zinc/45/04/76/566450476.db2.gz FPYJZWGXKDQZPN-MSOLQXFVSA-N 1 0 378.314 3.054 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000577745219 566461725 /nfs/dbraw/zinc/46/17/25/566461725.db2.gz DCCVFPGAWKVUDO-UHFFFAOYSA-N 1 0 393.285 3.024 20 30 GGEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000602438158 566472198 /nfs/dbraw/zinc/47/21/98/566472198.db2.gz BJSAVIXDHMUYRA-UHFFFAOYSA-N 1 0 377.897 3.270 20 30 GGEDRO CC[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444826 566472562 /nfs/dbraw/zinc/47/25/62/566472562.db2.gz QPSANAFXEWMMQU-ZDUSSCGKSA-N 1 0 377.897 3.442 20 30 GGEDRO C[C@@H](CCC#N)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000602468274 566472610 /nfs/dbraw/zinc/47/26/10/566472610.db2.gz ZXXVVIDKOKYALC-ZDUSSCGKSA-N 1 0 375.947 3.038 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000602528852 566475820 /nfs/dbraw/zinc/47/58/20/566475820.db2.gz LUBJOKRRIKVDKU-CYBMUJFWSA-N 1 0 395.297 3.409 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000602544255 566478509 /nfs/dbraw/zinc/47/85/09/566478509.db2.gz GREJYLZZAQMSPN-GDBMZVCRSA-N 1 0 389.297 3.445 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000448585002 566479867 /nfs/dbraw/zinc/47/98/67/566479867.db2.gz JDSJDIBZUOSIEG-INIZCTEOSA-N 1 0 388.265 3.481 20 30 GGEDRO N#Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000448609429 566481755 /nfs/dbraw/zinc/48/17/55/566481755.db2.gz YLNLCWJIIKWOMP-INIZCTEOSA-N 1 0 384.277 3.325 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000602636514 566484000 /nfs/dbraw/zinc/48/40/00/566484000.db2.gz IXIQKVFLNPRLAY-HZPDHXFCSA-N 1 0 395.341 3.289 20 30 GGEDRO N#Cc1cccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1Br ZINC000448725260 566490365 /nfs/dbraw/zinc/49/03/65/566490365.db2.gz KACOPIGQKQYPBA-UHFFFAOYSA-N 1 0 399.292 3.110 20 30 GGEDRO N#Cc1cccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000448735742 566492008 /nfs/dbraw/zinc/49/20/08/566492008.db2.gz KHITYBGBMINKGD-UHFFFAOYSA-N 1 0 399.292 3.110 20 30 GGEDRO Cc1cc(Br)c(NC(=O)CN[C@H](C)CC#N)c(Br)c1 ZINC000602867468 566496536 /nfs/dbraw/zinc/49/65/36/566496536.db2.gz CKRNOXCSMOINSV-SECBINFHSA-N 1 0 389.091 3.350 20 30 GGEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448788579 566497845 /nfs/dbraw/zinc/49/78/45/566497845.db2.gz XVIOOVASOXRCIG-MGPQQGTHSA-N 1 0 378.314 3.417 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602890759 566498054 /nfs/dbraw/zinc/49/80/54/566498054.db2.gz JBWGWXNEGZDSKM-IRXDYDNUSA-N 1 0 379.298 3.121 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000448801515 566498899 /nfs/dbraw/zinc/49/88/99/566498899.db2.gz QDFSXCVFHMWXOP-UHFFFAOYSA-N 1 0 395.276 3.377 20 30 GGEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc(C#N)c2Br)o1 ZINC000448815721 566499466 /nfs/dbraw/zinc/49/94/66/566499466.db2.gz HUOPKMNKZUCTPP-UHFFFAOYSA-N 1 0 390.281 3.426 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000424065986 566507536 /nfs/dbraw/zinc/50/75/36/566507536.db2.gz MOFKYKUFHSMYQA-AWEZNQCLSA-N 1 0 393.310 3.456 20 30 GGEDRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]([NH3+])CCCC#N ZINC000424078831 566509078 /nfs/dbraw/zinc/50/90/78/566509078.db2.gz QIALDDRVWOIPQU-CQSZACIVSA-N 1 0 385.295 3.192 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)NCCCCSc1ccccc1Br ZINC000424135148 566514506 /nfs/dbraw/zinc/51/45/06/566514506.db2.gz IYATUAQLEZXYBD-CQSZACIVSA-N 1 0 384.343 3.459 20 30 GGEDRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424135367 566514700 /nfs/dbraw/zinc/51/47/00/566514700.db2.gz JIDKLFPDMITXQX-WDBKCZKBSA-N 1 0 382.327 3.369 20 30 GGEDRO CCc1c(NC(=O)[C@H]([NH3+])CCCC#N)n[nH]c1-c1ccc(Br)cc1 ZINC000424143679 566514905 /nfs/dbraw/zinc/51/49/05/566514905.db2.gz RCVSCVOZONQYQJ-CQSZACIVSA-N 1 0 390.285 3.361 20 30 GGEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)C2CC2)nnc1-c1ccc(Cl)cc1 ZINC000578476041 566525814 /nfs/dbraw/zinc/52/58/14/566525814.db2.gz UUFGLZDIOCYTJC-INIZCTEOSA-N 1 0 378.929 3.332 20 30 GGEDRO C=CCn1cc(C[NH2+][C@H](C)CCc2ccc(I)cc2)nn1 ZINC000424298029 566526893 /nfs/dbraw/zinc/52/68/93/566526893.db2.gz RULPIMACZVAHAZ-CYBMUJFWSA-N 1 0 396.276 3.180 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cc(F)cc(Br)c1 ZINC000485828815 566530992 /nfs/dbraw/zinc/53/09/92/566530992.db2.gz IVHANDOOVSDYDN-NVXWUHKLSA-N 1 0 382.277 3.437 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cc(F)cc(Br)c1 ZINC000485828809 566531214 /nfs/dbraw/zinc/53/12/14/566531214.db2.gz IVHANDOOVSDYDN-DOTOQJQBSA-N 1 0 382.277 3.437 20 30 GGEDRO Cc1oc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000424594178 566543571 /nfs/dbraw/zinc/54/35/71/566543571.db2.gz CVWPYJRCTNGQHO-UHFFFAOYSA-N 1 0 390.281 3.426 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000603886835 566544665 /nfs/dbraw/zinc/54/46/65/566544665.db2.gz FTKOAROZRKHVAF-UHFFFAOYSA-N 1 0 378.314 3.266 20 30 GGEDRO CC(C)([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000604124246 566554255 /nfs/dbraw/zinc/55/42/55/566554255.db2.gz ADUHXCFJOPJUBQ-UHFFFAOYSA-N 1 0 386.293 3.462 20 30 GGEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1Cl ZINC000578814495 566555914 /nfs/dbraw/zinc/55/59/14/566555914.db2.gz HXGACXMGPAEMJW-SFHVURJKSA-N 1 0 377.897 3.367 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)ccc1Br ZINC000578827933 566557149 /nfs/dbraw/zinc/55/71/49/566557149.db2.gz SEQGZYJMEKGUSY-UHFFFAOYSA-N 1 0 382.693 3.174 20 30 GGEDRO C=CCC1(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CCC1 ZINC000578850854 566559505 /nfs/dbraw/zinc/55/95/05/566559505.db2.gz KISLDWXMEWCPFI-UHFFFAOYSA-N 1 0 380.286 3.366 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000512855131 566562252 /nfs/dbraw/zinc/56/22/52/566562252.db2.gz FTJFDQGQKBNKHS-RDJZCZTQSA-N 1 0 386.945 3.102 20 30 GGEDRO C=C(C)CC[NH2+]Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000449476091 566567111 /nfs/dbraw/zinc/56/71/11/566567111.db2.gz MIESZYGVGWBHLG-UHFFFAOYSA-N 1 0 399.329 3.371 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000512976884 566570776 /nfs/dbraw/zinc/57/07/76/566570776.db2.gz BWLWDIXJBHFNAG-MRXNPFEDSA-N 1 0 378.822 3.258 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000512976883 566571404 /nfs/dbraw/zinc/57/14/04/566571404.db2.gz BWLWDIXJBHFNAG-INIZCTEOSA-N 1 0 378.822 3.258 20 30 GGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449517351 566571471 /nfs/dbraw/zinc/57/14/71/566571471.db2.gz FNJJAYDZMOXGTK-NEPJUHHUSA-N 1 0 378.213 3.492 20 30 GGEDRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1Br ZINC000449596860 566578938 /nfs/dbraw/zinc/57/89/38/566578938.db2.gz CLPHIHFAPHENPU-HRCADAONSA-N 1 0 381.314 3.281 20 30 GGEDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cccc(C#N)c2)cc1Br ZINC000449596856 566579278 /nfs/dbraw/zinc/57/92/78/566579278.db2.gz CKWPKOMHQZQTAN-KRWDZBQOSA-N 1 0 389.293 3.270 20 30 GGEDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(C#N)cs2)cc1Br ZINC000449601360 566581541 /nfs/dbraw/zinc/58/15/41/566581541.db2.gz RGEGIGSHELGYRJ-CQSZACIVSA-N 1 0 395.322 3.332 20 30 GGEDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(C#N)s2)cc1Br ZINC000449605114 566583564 /nfs/dbraw/zinc/58/35/64/566583564.db2.gz YWMJVDCZFBDBIR-CYBMUJFWSA-N 1 0 395.322 3.332 20 30 GGEDRO N#Cc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449677839 566588835 /nfs/dbraw/zinc/58/88/35/566588835.db2.gz CYSGFIVXDIHWQK-MRXNPFEDSA-N 1 0 377.257 3.401 20 30 GGEDRO N#Cc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449677838 566589413 /nfs/dbraw/zinc/58/94/13/566589413.db2.gz CYSGFIVXDIHWQK-INIZCTEOSA-N 1 0 377.257 3.401 20 30 GGEDRO N#Cc1csc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449678035 566589586 /nfs/dbraw/zinc/58/95/86/566589586.db2.gz DMWREWPCJWBXFA-CYBMUJFWSA-N 1 0 383.286 3.462 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC000449684738 566592941 /nfs/dbraw/zinc/59/29/41/566592941.db2.gz SEUUJZYFTHLELI-MRXNPFEDSA-N 1 0 377.257 3.401 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)s1 ZINC000449686489 566593142 /nfs/dbraw/zinc/59/31/42/566593142.db2.gz YSCFWWNSZIQSCQ-GFCCVEGCSA-N 1 0 383.286 3.462 20 30 GGEDRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CC(C)(C)C#N ZINC000425097456 566602881 /nfs/dbraw/zinc/60/28/81/566602881.db2.gz HRYGCMNAIDRDAW-UHFFFAOYSA-N 1 0 381.318 3.325 20 30 GGEDRO C=CCCO[C@@H](C)C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101144 566605518 /nfs/dbraw/zinc/60/55/18/566605518.db2.gz YCWDTVAPMOTGHA-AWEZNQCLSA-N 1 0 398.345 3.367 20 30 GGEDRO C[NH+](C)CC[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(C)(C)C ZINC000449879376 566612178 /nfs/dbraw/zinc/61/21/78/566612178.db2.gz GYJGENFVMYFBMG-MRXNPFEDSA-N 1 0 396.329 3.182 20 30 GGEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000449973228 566621395 /nfs/dbraw/zinc/62/13/95/566621395.db2.gz QMZMRTYGSWSABQ-HIFRSBDPSA-N 1 0 394.313 3.031 20 30 GGEDRO C=CCN1CC[C@@H](N(C)c2cc[nH+]c3cc(OC)c(Br)cc32)C1=O ZINC000425252285 566623330 /nfs/dbraw/zinc/62/33/30/566623330.db2.gz AZIKPJRZYAYHTQ-MRXNPFEDSA-N 1 0 390.281 3.229 20 30 GGEDRO CC(C)[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(Br)c1 ZINC000560532254 566635059 /nfs/dbraw/zinc/63/50/59/566635059.db2.gz PIBMVDGRLOYVKL-UHFFFAOYSA-N 1 0 391.313 3.315 20 30 GGEDRO COc1ccccc1[C@@H](CNc1ncc(Br)cc1C#N)[NH+](C)C ZINC000450217554 566646238 /nfs/dbraw/zinc/64/62/38/566646238.db2.gz UGIBKWVHBRLFIY-OAHLLOKOSA-N 1 0 375.270 3.439 20 30 GGEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000540397461 566648490 /nfs/dbraw/zinc/64/84/90/566648490.db2.gz IZXGGRSEHDTVLI-DOMZBBRYSA-N 1 0 387.261 3.279 20 30 GGEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000540397466 566648938 /nfs/dbraw/zinc/64/89/38/566648938.db2.gz IZXGGRSEHDTVLI-WFASDCNBSA-N 1 0 387.261 3.279 20 30 GGEDRO N#Cc1cc(Br)cnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000450279314 566652492 /nfs/dbraw/zinc/65/24/92/566652492.db2.gz WZKCUVFSDLIMEB-UHFFFAOYSA-N 1 0 377.311 3.142 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc(Br)cc2C#N)[C@H](C)C1 ZINC000450340293 566660659 /nfs/dbraw/zinc/66/06/59/566660659.db2.gz VARQVSRGZZPXSB-CJNGLKHVSA-N 1 0 381.318 3.265 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncc(Br)cc2C#N)[C@H](C)C1 ZINC000450340294 566660695 /nfs/dbraw/zinc/66/06/95/566660695.db2.gz VARQVSRGZZPXSB-CZUORRHYSA-N 1 0 381.318 3.265 20 30 GGEDRO C[NH+](C)CCN(Cc1ccccc1F)c1ncc(Br)cc1C#N ZINC000450376360 566663767 /nfs/dbraw/zinc/66/37/67/566663767.db2.gz GMBVRTZUKMHTRB-UHFFFAOYSA-N 1 0 377.261 3.423 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ncc(Br)cc1C#N ZINC000450379618 566665051 /nfs/dbraw/zinc/66/50/51/566665051.db2.gz PDBYDUNYALYADE-UHFFFAOYSA-N 1 0 377.261 3.423 20 30 GGEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ncc(Br)cc1C#N ZINC000450422662 566670487 /nfs/dbraw/zinc/67/04/87/566670487.db2.gz VUKYWOVMILSNKV-UHFFFAOYSA-N 1 0 386.297 3.464 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3sc(Br)cc3C2)CC1 ZINC000676422391 566693697 /nfs/dbraw/zinc/69/36/97/566693697.db2.gz WWBZSZBHMPBBMR-UHFFFAOYSA-N 1 0 384.343 3.229 20 30 GGEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000580510197 566699341 /nfs/dbraw/zinc/69/93/41/566699341.db2.gz CBPCVWZMOCHTKS-HOCLYGCPSA-N 1 0 390.325 3.264 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487966162 566699989 /nfs/dbraw/zinc/69/99/89/566699989.db2.gz IBGOAPVCTDQKER-UHFFFAOYSA-N 1 0 377.286 3.483 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487983136 566700748 /nfs/dbraw/zinc/70/07/48/566700748.db2.gz KDNDNUAHVXMSOC-CYBMUJFWSA-N 1 0 379.302 3.420 20 30 GGEDRO CN(C)C[C@](C)(C#N)NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000515304202 566703777 /nfs/dbraw/zinc/70/37/77/566703777.db2.gz UNJCQWGURNXFOA-AWEZNQCLSA-N 1 0 399.339 3.208 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C(N)=O)cc1 ZINC000541282628 566710748 /nfs/dbraw/zinc/71/07/48/566710748.db2.gz OYXHMMRKEQKDET-SFHVURJKSA-N 1 0 397.276 3.161 20 30 GGEDRO N#Cc1cccc(OCC[N@@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488199146 566714328 /nfs/dbraw/zinc/71/43/28/566714328.db2.gz MUGJZSJFKFTFRM-UHFFFAOYSA-N 1 0 375.266 3.194 20 30 GGEDRO COc1ccc(C[N@H+](CCO)Cc2cccc(Br)c2)cc1C#N ZINC000488229909 566715619 /nfs/dbraw/zinc/71/56/19/566715619.db2.gz IMSIPZQPRQPGPC-UHFFFAOYSA-N 1 0 375.266 3.324 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000580724162 566718538 /nfs/dbraw/zinc/71/85/38/566718538.db2.gz ACRAHMOFBMAIQV-UHFFFAOYSA-N 1 0 376.298 3.269 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000515523739 566719337 /nfs/dbraw/zinc/71/93/37/566719337.db2.gz RWGFMTQECAHOKD-HUUCEWRRSA-N 1 0 383.945 3.248 20 30 GGEDRO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CC(=O)NCC#N ZINC000541640024 566739503 /nfs/dbraw/zinc/73/95/03/566739503.db2.gz YSTVTBBMJJHCRF-JTQLQIEISA-N 1 0 393.310 3.171 20 30 GGEDRO N#Cc1cccc(CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000581007607 566742960 /nfs/dbraw/zinc/74/29/60/566742960.db2.gz UFGJSAYQDXHVIX-KRWDZBQOSA-N 1 0 393.256 3.032 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000561849450 566743575 /nfs/dbraw/zinc/74/35/75/566743575.db2.gz XBMUVKMIQVJJRX-UHFFFAOYSA-N 1 0 392.341 3.255 20 30 GGEDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)C1CCCCC1 ZINC000451052459 566743792 /nfs/dbraw/zinc/74/37/92/566743792.db2.gz WOBPETOTCOZJIC-KRWDZBQOSA-N 1 0 383.945 3.195 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC2(Cc3ccccc3Br)CC2)CC1 ZINC000488795998 566747590 /nfs/dbraw/zinc/74/75/90/566747590.db2.gz GNXWIZDTLLYCGK-UHFFFAOYSA-N 1 0 392.341 3.474 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427124190 566748231 /nfs/dbraw/zinc/74/82/31/566748231.db2.gz OVICDFJVMADORU-GOEBONIOSA-N 1 0 381.314 3.206 20 30 GGEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451104146 566758771 /nfs/dbraw/zinc/75/87/71/566758771.db2.gz PNESVXRPUCXHHS-CQSZACIVSA-N 1 0 383.945 3.195 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc(C#N)c1 ZINC000562055280 566760732 /nfs/dbraw/zinc/76/07/32/566760732.db2.gz SRVQPYPJOWLLQL-RHSMWYFYSA-N 1 0 375.519 3.124 20 30 GGEDRO CCN(CCC[NH+]1CCCC1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000451112297 566761034 /nfs/dbraw/zinc/76/10/34/566761034.db2.gz ILFNZCLEGIVYHO-UHFFFAOYSA-N 1 0 394.313 3.034 20 30 GGEDRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(CC#N)CC1 ZINC000541948630 566761442 /nfs/dbraw/zinc/76/14/42/566761442.db2.gz MBERCIUSRUNSIT-AWEZNQCLSA-N 1 0 378.314 3.422 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1sccc1Cl ZINC000451124703 566763206 /nfs/dbraw/zinc/76/32/06/566763206.db2.gz GMZVLISYHNWAEY-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCCc2cccc(Br)c2)cc1 ZINC000609419862 566763413 /nfs/dbraw/zinc/76/34/13/566763413.db2.gz FSOOWHJPBCWDHS-SFHVURJKSA-N 1 0 389.293 3.283 20 30 GGEDRO C=CCCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000489105544 566769686 /nfs/dbraw/zinc/76/96/86/566769686.db2.gz MDKMUEMZILMNBQ-UHFFFAOYSA-N 1 0 389.359 3.109 20 30 GGEDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451299717 566791630 /nfs/dbraw/zinc/79/16/30/566791630.db2.gz GOGIAJJGYFVONV-UHFFFAOYSA-N 1 0 397.953 3.220 20 30 GGEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451306959 566793457 /nfs/dbraw/zinc/79/34/57/566793457.db2.gz TWPYWGJPUOAZGX-QLFBSQMISA-N 1 0 383.945 3.051 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2csc(Br)c2)cc1 ZINC000581843733 566808444 /nfs/dbraw/zinc/80/84/44/566808444.db2.gz DNYZKRLKARMAHE-CQSZACIVSA-N 1 0 381.295 3.106 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(Cl)s1 ZINC000542556666 566811885 /nfs/dbraw/zinc/81/18/85/566811885.db2.gz ADUGJFZYTACZTC-LSDHHAIUSA-N 1 0 382.961 3.135 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2Br)cc1 ZINC000581938896 566816754 /nfs/dbraw/zinc/81/67/54/566816754.db2.gz ZTRQCRVEYAOPBE-MRXNPFEDSA-N 1 0 375.266 3.045 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000469879296 566822970 /nfs/dbraw/zinc/82/29/70/566822970.db2.gz FMQUTOGIFQPLNO-DZKIICNBSA-N 1 0 381.314 3.192 20 30 GGEDRO C[N@H+](CCc1ccc(Br)cc1)CC(=O)NCc1ccc(C#N)cc1 ZINC000517382927 566823898 /nfs/dbraw/zinc/82/38/98/566823898.db2.gz DMWVYIPGVUQXNQ-UHFFFAOYSA-N 1 0 386.293 3.111 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000542909625 566835677 /nfs/dbraw/zinc/83/56/77/566835677.db2.gz LZYCVPCTCILSPL-INIZCTEOSA-N 1 0 391.265 3.031 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000470012590 566839206 /nfs/dbraw/zinc/83/92/06/566839206.db2.gz RAAYENOVCLGAOR-AWEZNQCLSA-N 1 0 383.330 3.454 20 30 GGEDRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000562985412 566842034 /nfs/dbraw/zinc/84/20/34/566842034.db2.gz RBMBWHONGJXMLL-IFIJOSMWSA-N 1 0 398.370 3.028 20 30 GGEDRO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000562997819 566843373 /nfs/dbraw/zinc/84/33/73/566843373.db2.gz XIWFJPFLODHVGH-YOEHRIQHSA-N 1 0 389.293 3.281 20 30 GGEDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)ccc1Br ZINC000517733190 566843726 /nfs/dbraw/zinc/84/37/26/566843726.db2.gz XAEMVWWPPLYKRF-QGZVFWFLSA-N 1 0 389.293 3.353 20 30 GGEDRO CC(=O)NCCN(Cc1ccc(Br)cc1C#N)C1CCSCC1 ZINC000517768765 566845074 /nfs/dbraw/zinc/84/50/74/566845074.db2.gz LFDLXKKNJAHWRP-UHFFFAOYSA-N 1 0 396.354 3.154 20 30 GGEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000428485931 566848567 /nfs/dbraw/zinc/84/85/67/566848567.db2.gz WFJCZBTZSMYRML-CYBMUJFWSA-N 1 0 376.806 3.405 20 30 GGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1coc(-c2ccc(I)cc2)n1 ZINC000451604300 566849015 /nfs/dbraw/zinc/84/90/15/566849015.db2.gz ABUOZGDLFPAWSN-CABCVRRESA-N 1 0 396.228 3.379 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000518022795 566861062 /nfs/dbraw/zinc/86/10/62/566861062.db2.gz GVJTZIJVUISWGM-UHFFFAOYSA-N 1 0 396.329 3.120 20 30 GGEDRO COCCC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Br)cc1 ZINC000610812618 566866683 /nfs/dbraw/zinc/86/66/83/566866683.db2.gz DOHGQJJMORFURO-SFHVURJKSA-N 1 0 380.330 3.494 20 30 GGEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCOc3cccc(Br)c3)C2)nc1 ZINC000428776844 566876139 /nfs/dbraw/zinc/87/61/39/566876139.db2.gz GECPKPVQDNYYLR-QGZVFWFLSA-N 1 0 388.265 3.248 20 30 GGEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCOc3ccc(Br)cc3)C2)nc1 ZINC000428797572 566879325 /nfs/dbraw/zinc/87/93/25/566879325.db2.gz DNXBHADWOMFNOR-KRWDZBQOSA-N 1 0 388.265 3.248 20 30 GGEDRO C=CCSCC[NH2+][C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000543430053 566880959 /nfs/dbraw/zinc/88/09/59/566880959.db2.gz ZBOWBHHBWTZUBJ-SFHVURJKSA-N 1 0 381.973 3.087 20 30 GGEDRO C=CCOCCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000470770759 566903227 /nfs/dbraw/zinc/90/32/27/566903227.db2.gz BAGYXJBHYMDFFO-UHFFFAOYSA-N 1 0 382.302 3.087 20 30 GGEDRO C=CCOCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000470774501 566903914 /nfs/dbraw/zinc/90/39/14/566903914.db2.gz USEVONBVPABONO-AWEZNQCLSA-N 1 0 382.302 3.087 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386232 566914805 /nfs/dbraw/zinc/91/48/05/566914805.db2.gz GKJHKDKFCLCPBU-CXAGYDPISA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611389554 566915330 /nfs/dbraw/zinc/91/53/30/566915330.db2.gz ZKJMUJACIQXXMB-DYVFJYSZSA-N 1 0 375.266 3.411 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429280061 566918471 /nfs/dbraw/zinc/91/84/71/566918471.db2.gz WWZJSUJUEZTRDN-KRWDZBQOSA-N 1 0 378.314 3.424 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c(Br)c1 ZINC000611500905 566921333 /nfs/dbraw/zinc/92/13/33/566921333.db2.gz YIZMNJJVEUFCIY-UHFFFAOYSA-N 1 0 398.304 3.340 20 30 GGEDRO C[N@H+](CCn1cc(Br)cn1)Cc1cccc(OCCCC#N)c1 ZINC000563839942 566921373 /nfs/dbraw/zinc/92/13/73/566921373.db2.gz CTTVHIOFGNVMLE-UHFFFAOYSA-N 1 0 377.286 3.460 20 30 GGEDRO N#CCN1CCC([NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000611519316 566923973 /nfs/dbraw/zinc/92/39/73/566923973.db2.gz SPEKWYWWNCXSPI-QZTJIDSGSA-N 1 0 378.314 3.247 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000583143220 566925547 /nfs/dbraw/zinc/92/55/47/566925547.db2.gz BQKQMUDRMSQQEN-CABCVRRESA-N 1 0 381.314 3.064 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(C)CCC#N ZINC000429376210 566926944 /nfs/dbraw/zinc/92/69/44/566926944.db2.gz JICIYCHNMIITMW-MLGOLLRUSA-N 1 0 378.314 3.423 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429364205 566927185 /nfs/dbraw/zinc/92/71/85/566927185.db2.gz FUYZLWZBZNOVET-HKUYNNGSSA-N 1 0 390.325 3.471 20 30 GGEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)C(C)C)nc2sc(C)c(C)c2c1=O ZINC000656692724 566933620 /nfs/dbraw/zinc/93/36/20/566933620.db2.gz HKHQNIHINIHFSH-CQSZACIVSA-N 1 0 381.567 3.054 20 30 GGEDRO Cc1c(Cl)cnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c1C#N ZINC000544069293 566934946 /nfs/dbraw/zinc/93/49/46/566934946.db2.gz SQZXDPOKZPIOCI-UHFFFAOYSA-N 1 0 376.810 3.006 20 30 GGEDRO C=CC[N@@H+](C)CCN(CC)Cc1nnc(-c2ccccc2Br)o1 ZINC000429717755 566945693 /nfs/dbraw/zinc/94/56/93/566945693.db2.gz MDXXSIMVNYZUOK-UHFFFAOYSA-N 1 0 379.302 3.439 20 30 GGEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1ccc(Br)cc1Cl ZINC000429727514 566946144 /nfs/dbraw/zinc/94/61/44/566946144.db2.gz VCMKFIKKKRPNHC-UHFFFAOYSA-N 1 0 388.737 3.481 20 30 GGEDRO N#Cc1c(Br)cccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000519677623 566958440 /nfs/dbraw/zinc/95/84/40/566958440.db2.gz UCKWPXXVLGXISG-MRXNPFEDSA-N 1 0 386.293 3.499 20 30 GGEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338357 566965090 /nfs/dbraw/zinc/96/50/90/566965090.db2.gz AVTVWHIRIZAIIN-AHIWAGSCSA-N 1 0 376.298 3.123 20 30 GGEDRO Cn1c(Sc2cc(Br)c(C#N)cc2F)nnc1[C@@H]1CCC[NH2+]C1 ZINC000583641491 566969229 /nfs/dbraw/zinc/96/92/29/566969229.db2.gz RRAGKODQBABBMB-SECBINFHSA-N 1 0 396.289 3.207 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2cccc(Br)c2)cc1 ZINC000564651617 566995655 /nfs/dbraw/zinc/99/56/55/566995655.db2.gz MMMAYALEINDLAC-SFHVURJKSA-N 1 0 389.293 3.087 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000583935890 566996062 /nfs/dbraw/zinc/99/60/62/566996062.db2.gz JTNRCTWXWARLMN-UHFFFAOYSA-N 1 0 389.240 3.431 20 30 GGEDRO CC[C@H](Cc1ccccc1Br)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000564985570 567027848 /nfs/dbraw/zinc/02/78/48/567027848.db2.gz KSLALXGPMPIBOU-MRXNPFEDSA-N 1 0 384.281 3.474 20 30 GGEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000565046034 567033168 /nfs/dbraw/zinc/03/31/68/567033168.db2.gz IGJJRKOAYYQPTR-UHFFFAOYSA-N 1 0 377.897 3.270 20 30 GGEDRO C=CCN(Cc1nc(C(C)(C)[NH3+])no1)Cc1cc(Br)ccc1F ZINC000431059109 567050245 /nfs/dbraw/zinc/05/02/45/567050245.db2.gz AZFQRTGGBJCDKS-UHFFFAOYSA-N 1 0 383.265 3.353 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000565392262 567064126 /nfs/dbraw/zinc/06/41/26/567064126.db2.gz DXZBBAROXSQPKT-GUYCJALGSA-N 1 0 377.286 3.101 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1OCC ZINC000453588743 567094012 /nfs/dbraw/zinc/09/40/12/567094012.db2.gz LUJLSBWQUGSANO-SFHVURJKSA-N 1 0 397.313 3.171 20 30 GGEDRO COc1cc(NC(=O)CC[NH2+]Cc2ccc(C#N)s2)c(OC)cc1Cl ZINC000565946513 567113085 /nfs/dbraw/zinc/11/30/85/567113085.db2.gz VPIUOZOFSYZZLF-UHFFFAOYSA-N 1 0 379.869 3.409 20 30 GGEDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000431893608 567115218 /nfs/dbraw/zinc/11/52/18/567115218.db2.gz HDMDUDQLBAVXGI-UHFFFAOYSA-N 1 0 383.945 3.248 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000588198363 567120950 /nfs/dbraw/zinc/12/09/50/567120950.db2.gz GELCHGGDHXVLRC-SFHVURJKSA-N 1 0 378.314 3.007 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)N(C)CC)cc1OCC ZINC000473987319 567122256 /nfs/dbraw/zinc/12/22/56/567122256.db2.gz MYCSBBVACLYZNV-ZDUSSCGKSA-N 1 0 399.329 3.369 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC000588311642 567125596 /nfs/dbraw/zinc/12/55/96/567125596.db2.gz WBUSKKDVRMPDOH-UHFFFAOYSA-N 1 0 386.253 3.070 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000474326173 567158898 /nfs/dbraw/zinc/15/88/98/567158898.db2.gz AKQNGHYUTAQIGS-INIZCTEOSA-N 1 0 386.323 3.367 20 30 GGEDRO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](O)C(F)(F)F ZINC000589162040 567160588 /nfs/dbraw/zinc/16/05/88/567160588.db2.gz FITWQUDMOLGWKS-IIMNLJJBSA-N 1 0 377.794 3.076 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000636738413 567164579 /nfs/dbraw/zinc/16/45/79/567164579.db2.gz CCINPBPQADDLFA-QGZVFWFLSA-N 1 0 386.323 3.367 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636875179 567169498 /nfs/dbraw/zinc/16/94/98/567169498.db2.gz XDVQVDBXMLBNGO-HNNXBMFYSA-N 1 0 384.293 3.428 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)cc1OC ZINC000498362716 567173093 /nfs/dbraw/zinc/17/30/93/567173093.db2.gz HXBICDOUIRDZHM-DZGCQCFKSA-N 1 0 397.313 3.027 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)cc1OC ZINC000498362718 567173369 /nfs/dbraw/zinc/17/33/69/567173369.db2.gz HXBICDOUIRDZHM-UKRRQHHQSA-N 1 0 397.313 3.027 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000454535249 567181257 /nfs/dbraw/zinc/18/12/57/567181257.db2.gz FSIUNWOONCTFTF-ONEGZZNKSA-N 1 0 378.314 3.412 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCOc3c(Br)cccc3C2)CC1 ZINC000684261856 567193725 /nfs/dbraw/zinc/19/37/25/567193725.db2.gz GDOLVJIYTUIWLN-UHFFFAOYSA-N 1 0 394.313 3.004 20 30 GGEDRO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000547319263 567199994 /nfs/dbraw/zinc/19/99/94/567199994.db2.gz SHTKFOQEWJROCO-HNNXBMFYSA-N 1 0 378.314 3.122 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000615728707 567200989 /nfs/dbraw/zinc/20/09/89/567200989.db2.gz YVBYMJJTHLKHKW-UHFFFAOYSA-N 1 0 386.721 3.339 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)cc1OC ZINC000590657277 567236420 /nfs/dbraw/zinc/23/64/20/567236420.db2.gz ARTHFEORBYUKIC-HIFRSBDPSA-N 1 0 398.297 3.454 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433303032 567239606 /nfs/dbraw/zinc/23/96/06/567239606.db2.gz ZLKSDZVGWWORNN-VQIMIIECSA-N 1 0 392.341 3.368 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433303026 567240159 /nfs/dbraw/zinc/24/01/59/567240159.db2.gz ZLKSDZVGWWORNN-APWZRJJASA-N 1 0 392.341 3.368 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433306460 567241876 /nfs/dbraw/zinc/24/18/76/567241876.db2.gz SDGIGRKBPDNLNK-RDJZCZTQSA-N 1 0 392.341 3.322 20 30 GGEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433303733 567242172 /nfs/dbraw/zinc/24/21/72/567242172.db2.gz LZCLKHJPEXLBST-HOCLYGCPSA-N 1 0 378.314 3.074 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CC=CCC2)cc1OC ZINC000475509705 567253192 /nfs/dbraw/zinc/25/31/92/567253192.db2.gz LJIWHXNRHDEJEC-UHFFFAOYSA-N 1 0 381.314 3.374 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475562930 567257295 /nfs/dbraw/zinc/25/72/95/567257295.db2.gz AIWPNVLFSOGDHF-HUUCEWRRSA-N 1 0 383.945 3.248 20 30 GGEDRO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000567585072 567259943 /nfs/dbraw/zinc/25/99/43/567259943.db2.gz MRKLJPAQFFZSKE-UHFFFAOYSA-N 1 0 378.314 3.423 20 30 GGEDRO C=CCN1CC[C@H]([NH+]2CCC(Oc3cccc(Br)c3)CC2)C1=O ZINC000499627766 567262156 /nfs/dbraw/zinc/26/21/56/567262156.db2.gz UUIBNGNGKQUJHL-KRWDZBQOSA-N 1 0 379.298 3.079 20 30 GGEDRO C=CCOc1c(Br)cc(CNCC[N@@H+]2CC[C@H](C)C2)cc1OC ZINC000525800504 567266384 /nfs/dbraw/zinc/26/63/84/567266384.db2.gz UNDGABKRUQOZKY-AWEZNQCLSA-N 1 0 383.330 3.454 20 30 GGEDRO C=CCOc1c(Br)cc(CNCC[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000525800505 567266713 /nfs/dbraw/zinc/26/67/13/567266713.db2.gz UNDGABKRUQOZKY-CQSZACIVSA-N 1 0 383.330 3.454 20 30 GGEDRO C=CCN1CC[C@H]([N@@H+](Cc2cccc(Br)c2)C2CCOCC2)C1=O ZINC000499722140 567267797 /nfs/dbraw/zinc/26/77/97/567267797.db2.gz YBIYPUBHTSOLAX-SFHVURJKSA-N 1 0 393.325 3.217 20 30 GGEDRO N#CC1(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCCC2)CCC1 ZINC000525886756 567272866 /nfs/dbraw/zinc/27/28/66/567272866.db2.gz GKENYVKTKOJELH-UHFFFAOYSA-N 1 0 376.298 3.370 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)C(C)C ZINC000591643548 567290706 /nfs/dbraw/zinc/29/07/06/567290706.db2.gz XAFMIYJNTNACJT-CQSZACIVSA-N 1 0 395.345 3.478 20 30 GGEDRO C=CCN1CC[C@H]([N@H+](C)CCOc2ccc(Cl)cc2Br)C1=O ZINC000500028125 567291484 /nfs/dbraw/zinc/29/14/84/567291484.db2.gz WVBWMDMOYMVWJC-AWEZNQCLSA-N 1 0 387.705 3.200 20 30 GGEDRO Cc1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000591734841 567291987 /nfs/dbraw/zinc/29/19/87/567291987.db2.gz HGFKJFFFPPRMGU-QGZVFWFLSA-N 1 0 375.266 3.159 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000591724906 567292417 /nfs/dbraw/zinc/29/24/17/567292417.db2.gz PIBVIQWUEUQDFJ-KRWDZBQOSA-N 1 0 375.266 3.045 20 30 GGEDRO Cc1cc(Br)ccc1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000591734839 567292450 /nfs/dbraw/zinc/29/24/50/567292450.db2.gz HGFKJFFFPPRMGU-KRWDZBQOSA-N 1 0 375.266 3.159 20 30 GGEDRO N#CC1CCC(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000591765480 567295524 /nfs/dbraw/zinc/29/55/24/567295524.db2.gz GFKAOGXDQHEDGW-SEEARECTSA-N 1 0 385.277 3.247 20 30 GGEDRO N#Cc1cnn2cc(C[N@H+]3CC[C@@H](Cc4ccc(Br)cc4)C3)cnc12 ZINC000592514488 567344346 /nfs/dbraw/zinc/34/43/46/567344346.db2.gz DJKCXYWXJNNVIA-HNNXBMFYSA-N 1 0 396.292 3.428 20 30 GGEDRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000500790599 567345485 /nfs/dbraw/zinc/34/54/85/567345485.db2.gz IISWWYITFRXXKT-CQSZACIVSA-N 1 0 377.897 3.231 20 30 GGEDRO CC(C)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1cccc(Br)c1 ZINC000548907127 567359546 /nfs/dbraw/zinc/35/95/46/567359546.db2.gz FVAZEQGCLQSCKM-UHFFFAOYSA-N 1 0 384.281 3.431 20 30 GGEDRO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1ccc(C#N)cc1 ZINC000548937091 567360888 /nfs/dbraw/zinc/36/08/88/567360888.db2.gz USQUGRWZRLQULB-GFCCVEGCSA-N 1 0 383.249 3.179 20 30 GGEDRO C=CCCO[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501225917 567374307 /nfs/dbraw/zinc/37/43/07/567374307.db2.gz HMMOOOOBRKCWCX-AWEZNQCLSA-N 1 0 396.329 3.121 20 30 GGEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000435643004 567381083 /nfs/dbraw/zinc/38/10/83/567381083.db2.gz AJLOVJYGWVBMJD-INIZCTEOSA-N 1 0 381.929 3.287 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000435747394 567387553 /nfs/dbraw/zinc/38/75/53/567387553.db2.gz HQZZPBJQIFBALR-APWZRJJASA-N 1 0 395.341 3.357 20 30 GGEDRO N#Cc1cccc(CNC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000477567927 567402913 /nfs/dbraw/zinc/40/29/13/567402913.db2.gz YOOYDEAIAIGSIQ-UHFFFAOYSA-N 1 0 384.277 3.216 20 30 GGEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549706092 567404655 /nfs/dbraw/zinc/40/46/55/567404655.db2.gz QPXHUFVLPXADGL-UHFFFAOYSA-N 1 0 393.333 3.142 20 30 GGEDRO N#Cc1cc(F)c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000569590094 567416848 /nfs/dbraw/zinc/41/68/48/567416848.db2.gz HAUDIUQXFLQNEA-ZDUSSCGKSA-N 1 0 382.277 3.008 20 30 GGEDRO CC[C@@H](C#N)C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000593718320 567436304 /nfs/dbraw/zinc/43/63/04/567436304.db2.gz KQIFWUSVDDEHIO-AWEZNQCLSA-N 1 0 378.314 3.422 20 30 GGEDRO COC[C@@]1([NH2+]Cc2cc(C#N)ccc2Br)COc2ccccc2C1 ZINC000528747099 567453301 /nfs/dbraw/zinc/45/33/01/567453301.db2.gz LCPHVYLMJULPFE-LJQANCHMSA-N 1 0 387.277 3.431 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Br)cn1 ZINC000619465629 567455378 /nfs/dbraw/zinc/45/53/78/567455378.db2.gz SAGLKWACJRXNOB-CYBMUJFWSA-N 1 0 386.297 3.430 20 30 GGEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Br)cn1 ZINC000619465630 567455441 /nfs/dbraw/zinc/45/54/41/567455441.db2.gz SAGLKWACJRXNOB-ZDUSSCGKSA-N 1 0 386.297 3.430 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000594103932 567460411 /nfs/dbraw/zinc/46/04/11/567460411.db2.gz OUZZBTNFDRPHTQ-HOTGVXAUSA-N 1 0 377.286 3.459 20 30 GGEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000570325763 567476351 /nfs/dbraw/zinc/47/63/51/567476351.db2.gz XCXZYMDQRRXNCC-ZWKOTPCHSA-N 1 0 398.320 3.225 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)cc(Br)c1 ZINC000570418242 567483221 /nfs/dbraw/zinc/48/32/21/567483221.db2.gz GHKJROBNCZRINK-UHFFFAOYSA-N 1 0 382.693 3.174 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCc2c(Cl)cccc2Cl)nc1 ZINC000594575035 567487148 /nfs/dbraw/zinc/48/71/48/567487148.db2.gz NJTYXTJIUWTFOT-UHFFFAOYSA-N 1 0 398.315 3.256 20 30 GGEDRO N#Cc1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000551238413 567491190 /nfs/dbraw/zinc/49/11/90/567491190.db2.gz CYJHFVLFUJMZCN-UHFFFAOYSA-N 1 0 378.314 3.259 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000551421308 567505060 /nfs/dbraw/zinc/50/50/60/567505060.db2.gz AMLHWQBCNNZCQE-XZOAIXRZSA-N 1 0 393.329 3.328 20 30 GGEDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594743394 567506113 /nfs/dbraw/zinc/50/61/13/567506113.db2.gz UEMUXXDYFNKXJR-UHFFFAOYSA-N 1 0 377.535 3.186 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000594753329 567506893 /nfs/dbraw/zinc/50/68/93/567506893.db2.gz IOPLPNUSYJPCIZ-OAHLLOKOSA-N 1 0 377.535 3.044 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OC ZINC000437775012 567508204 /nfs/dbraw/zinc/50/82/04/567508204.db2.gz OVMWISAMYYYCDB-GASCZTMLSA-N 1 0 381.314 3.349 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000594780959 567511976 /nfs/dbraw/zinc/51/19/76/567511976.db2.gz JHFQEGMDVOIPME-UHFFFAOYSA-N 1 0 377.535 3.188 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000594779309 567512113 /nfs/dbraw/zinc/51/21/13/567512113.db2.gz OKOITFJBHCCVIS-UHFFFAOYSA-N 1 0 379.551 3.480 20 30 GGEDRO Cc1c(Br)cncc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000594944761 567526984 /nfs/dbraw/zinc/52/69/84/567526984.db2.gz WAZUSPQUOVNUPZ-SFHVURJKSA-N 1 0 399.292 3.309 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cncc(Br)c1 ZINC000595036564 567537985 /nfs/dbraw/zinc/53/79/85/567537985.db2.gz JNVJDAHHAAVSCZ-CYBMUJFWSA-N 1 0 386.297 3.430 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000595114331 567542738 /nfs/dbraw/zinc/54/27/38/567542738.db2.gz WVLQBAKVYOKNCM-BLLLJJGKSA-N 1 0 377.535 3.219 20 30 GGEDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3C#N)[C@H]2C1 ZINC000571201034 567544852 /nfs/dbraw/zinc/54/48/52/567544852.db2.gz GSFVWCGSHVOVSA-JCGIZDLHSA-N 1 0 376.298 3.057 20 30 GGEDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Br)cc3C#N)[C@@H]2C1 ZINC000571201035 567545407 /nfs/dbraw/zinc/54/54/07/567545407.db2.gz GSFVWCGSHVOVSA-QGTPRVQTSA-N 1 0 376.298 3.057 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C2CCN(C(C)=O)CC2)cc1OC ZINC000620878930 567549404 /nfs/dbraw/zinc/54/94/04/567549404.db2.gz CGMJWIDYTTZYBX-UHFFFAOYSA-N 1 0 397.313 3.123 20 30 GGEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438840669 567550168 /nfs/dbraw/zinc/55/01/68/567550168.db2.gz NUKRZDPFJCDCOA-QGZVFWFLSA-N 1 0 393.256 3.332 20 30 GGEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](O)C(F)(F)F ZINC000595480791 567566235 /nfs/dbraw/zinc/56/62/35/567566235.db2.gz ADPPJODYBYHYEU-GJZGRUSLSA-N 1 0 377.794 3.078 20 30 GGEDRO N#Cc1ccc(Br)c(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000595473076 567566963 /nfs/dbraw/zinc/56/69/63/567566963.db2.gz UEWUBZIRLKFUMO-KRWDZBQOSA-N 1 0 378.314 3.007 20 30 GGEDRO CC(C)[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Br)cc1 ZINC000552224563 567569128 /nfs/dbraw/zinc/56/91/28/567569128.db2.gz ZQALDTKQFKMJDT-UHFFFAOYSA-N 1 0 391.313 3.315 20 30 GGEDRO C=CCSCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172644 567584647 /nfs/dbraw/zinc/58/46/47/567584647.db2.gz WUCKVVXVQHFQRJ-ZDUSSCGKSA-N 1 0 376.341 3.176 20 30 GGEDRO C[NH+](C)C[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000571767682 567587896 /nfs/dbraw/zinc/58/78/96/567587896.db2.gz ODVOVSSYGIQKQN-CQSZACIVSA-N 1 0 377.275 3.335 20 30 GGEDRO C[NH+](C)CCCCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000552553228 567596604 /nfs/dbraw/zinc/59/66/04/567596604.db2.gz HUTIYTPUDFYIIS-UHFFFAOYSA-N 1 0 375.523 3.372 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)nc1 ZINC000571918149 567598343 /nfs/dbraw/zinc/59/83/43/567598343.db2.gz KDMLXTPXTOEURQ-HNNXBMFYSA-N 1 0 393.921 3.207 20 30 GGEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000552836910 567613033 /nfs/dbraw/zinc/61/30/33/567613033.db2.gz ZQFBACUHVJVEEZ-RDTXWAMCSA-N 1 0 389.293 3.281 20 30 GGEDRO N#Cc1csc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c1 ZINC000530879439 567628441 /nfs/dbraw/zinc/62/84/41/567628441.db2.gz NQTLISUUZIMPHB-UHFFFAOYSA-N 1 0 378.295 3.292 20 30 GGEDRO Cc1cc(Br)cn2cc(CCNc3nccc(C#N)c3Cl)nc12 ZINC000553153356 567630780 /nfs/dbraw/zinc/63/07/80/567630780.db2.gz OCBHMJBFWHMMEI-UHFFFAOYSA-N 1 0 390.672 3.402 20 30 GGEDRO COc1cc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)ccc1C#N ZINC000440612262 567635564 /nfs/dbraw/zinc/63/55/64/567635564.db2.gz BQAPIMHSFFHEFN-MRXNPFEDSA-N 1 0 389.293 3.270 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000459658469 567647173 /nfs/dbraw/zinc/64/71/73/567647173.db2.gz KLACUJVFFQBLAH-CYBMUJFWSA-N 1 0 382.302 3.429 20 30 GGEDRO N#Cc1cccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459690792 567650244 /nfs/dbraw/zinc/65/02/44/567650244.db2.gz FOZGOLWEKHQQOG-INIZCTEOSA-N 1 0 377.257 3.401 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)s1 ZINC000459698761 567651765 /nfs/dbraw/zinc/65/17/65/567651765.db2.gz LGRXDVHVASDZHR-GFCCVEGCSA-N 1 0 383.286 3.462 20 30 GGEDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC000481046877 567654521 /nfs/dbraw/zinc/65/45/21/567654521.db2.gz AEBZKZVTXAYIQR-QGZVFWFLSA-N 1 0 380.330 3.253 20 30 GGEDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC000481046876 567654726 /nfs/dbraw/zinc/65/47/26/567654726.db2.gz AEBZKZVTXAYIQR-KRWDZBQOSA-N 1 0 380.330 3.253 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)CCc2cc(Cl)ccc2Br)CC1 ZINC000531426990 567658958 /nfs/dbraw/zinc/65/89/58/567658958.db2.gz XKTORHAWSKUKHV-UHFFFAOYSA-N 1 0 384.705 3.139 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCCc1ccccc1Br ZINC000481142566 567660737 /nfs/dbraw/zinc/66/07/37/567660737.db2.gz QXWMCXJGKGVBHB-UHFFFAOYSA-N 1 0 380.330 3.466 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000441408738 567663915 /nfs/dbraw/zinc/66/39/15/567663915.db2.gz LRTABNMTQYJFEL-CYBMUJFWSA-N 1 0 381.929 3.297 20 30 GGEDRO N#CCC[C@@H](C#N)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000572945160 567676722 /nfs/dbraw/zinc/67/67/22/567676722.db2.gz XRRZWKSNTYYAOW-INIZCTEOSA-N 1 0 375.314 3.447 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C(N)=O)cc1 ZINC000481610023 567691524 /nfs/dbraw/zinc/69/15/24/567691524.db2.gz OFUUYPJRABXPCS-IAOVAPTHSA-N 1 0 388.240 3.132 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000553863388 567693759 /nfs/dbraw/zinc/69/37/59/567693759.db2.gz PWDJMYNKTKHGIC-KHYOSLBOSA-N 1 0 392.341 3.394 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481726137 567699023 /nfs/dbraw/zinc/69/90/23/567699023.db2.gz PSRWTMBYRKFPGD-ZUZCIYMTSA-N 1 0 398.276 3.029 20 30 GGEDRO CC#CCCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000460840740 567705761 /nfs/dbraw/zinc/70/57/61/567705761.db2.gz DFGOEAYKUGUMOF-UHFFFAOYSA-N 1 0 392.341 3.468 20 30 GGEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1OC ZINC000623428525 567709048 /nfs/dbraw/zinc/70/90/48/567709048.db2.gz NQGRGVCXJYIYCV-GJZGRUSLSA-N 1 0 387.929 3.359 20 30 GGEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1OC ZINC000623524002 567718485 /nfs/dbraw/zinc/71/84/85/567718485.db2.gz ZMYUDVFUUCTNPL-UHFFFAOYSA-N 1 0 387.929 3.360 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C(N)=O)cc1 ZINC000461105859 567719987 /nfs/dbraw/zinc/71/99/87/567719987.db2.gz ZIUKLRYLHJHABC-SZMVWBNQSA-N 1 0 384.277 3.383 20 30 GGEDRO N#Cc1ccc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c(F)c1 ZINC000532589127 567723185 /nfs/dbraw/zinc/72/31/85/567723185.db2.gz DCTOWYFVIBFGGQ-UHFFFAOYSA-N 1 0 390.256 3.370 20 30 GGEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000443028673 567725793 /nfs/dbraw/zinc/72/57/93/567725793.db2.gz QAUBAALOYRSAOT-UHFFFAOYSA-N 1 0 381.929 3.098 20 30 GGEDRO COc1cc(C[N@H+](CCO)Cc2cccc(Br)c2)ccc1C#N ZINC000443060275 567727856 /nfs/dbraw/zinc/72/78/56/567727856.db2.gz FRKCGZVFZXEGDI-UHFFFAOYSA-N 1 0 375.266 3.324 20 30 GGEDRO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000508090246 567728172 /nfs/dbraw/zinc/72/81/72/567728172.db2.gz VBBAWSMTGZUTLN-UHFFFAOYSA-N 1 0 394.294 3.183 20 30 GGEDRO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@H+](C)Cc1ccccc1 ZINC000443075600 567729214 /nfs/dbraw/zinc/72/92/14/567729214.db2.gz BKCLNYVZDGISDA-AWEZNQCLSA-N 1 0 377.897 3.010 20 30 GGEDRO C[N@H+](CCCNS(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC000443098267 567731549 /nfs/dbraw/zinc/73/15/49/567731549.db2.gz XJTIBVPQSXFFKE-UHFFFAOYSA-N 1 0 377.897 3.012 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443095822 567731763 /nfs/dbraw/zinc/73/17/63/567731763.db2.gz HEZCMPOEQLZYJL-HUUCEWRRSA-N 1 0 383.945 3.248 20 30 GGEDRO COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000532745272 567732075 /nfs/dbraw/zinc/73/20/75/567732075.db2.gz HKGWPTOHKNXTLM-FZKQIMNGSA-N 1 0 396.329 3.332 20 30 GGEDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000554708037 567744280 /nfs/dbraw/zinc/74/42/80/567744280.db2.gz WQYQTLUNRDCRHR-UHFFFAOYSA-N 1 0 383.945 3.488 20 30 GGEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2c(Cl)cccc2Cl)c1 ZINC000554797964 567750071 /nfs/dbraw/zinc/75/00/71/567750071.db2.gz UTLHADALWRBHML-UHFFFAOYSA-N 1 0 383.300 3.471 20 30 GGEDRO Cc1cc(S(=O)(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000554917652 567756193 /nfs/dbraw/zinc/75/61/93/567756193.db2.gz GORUSALQJAOOGR-GOSISDBHSA-N 1 0 377.897 3.101 20 30 GGEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000574170331 567760963 /nfs/dbraw/zinc/76/09/63/567760963.db2.gz NBMPPDOCTWADMY-LBPRGKRZSA-N 1 0 382.277 3.149 20 30 GGEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CCC)CC1 ZINC000508733754 567764307 /nfs/dbraw/zinc/76/43/07/567764307.db2.gz OBARFWHTJOJPGX-UHFFFAOYSA-N 1 0 390.329 3.426 20 30 GGEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000574221845 567764465 /nfs/dbraw/zinc/76/44/65/567764465.db2.gz QJVPLLVQCYBZFY-KBXCAEBGSA-N 1 0 389.293 3.281 20 30 GGEDRO N#Cc1ccncc1N1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000574384059 567775760 /nfs/dbraw/zinc/77/57/60/567775760.db2.gz RVFWUVJQZXGUCX-UHFFFAOYSA-N 1 0 375.245 3.177 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cc2c(cc1Br)OCCO2 ZINC000598603493 567778764 /nfs/dbraw/zinc/77/87/64/567778764.db2.gz USFCPTOAGOFPGZ-NEPJUHHUSA-N 1 0 383.286 3.172 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000533627591 567778901 /nfs/dbraw/zinc/77/89/01/567778901.db2.gz MMSOUTPJNOYJIZ-CYBMUJFWSA-N 1 0 398.320 3.469 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000598602056 567779021 /nfs/dbraw/zinc/77/90/21/567779021.db2.gz ZUOGMJLKCLJNLM-INIZCTEOSA-N 1 0 384.351 3.454 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cc2c(cc1Br)OCCO2 ZINC000598603496 567779354 /nfs/dbraw/zinc/77/93/54/567779354.db2.gz USFCPTOAGOFPGZ-VXGBXAGGSA-N 1 0 383.286 3.172 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCc2ccc(F)c(Br)c2)cc1 ZINC000555338967 567779732 /nfs/dbraw/zinc/77/97/32/567779732.db2.gz RMPQSDFXDKPWTB-OAHLLOKOSA-N 1 0 393.256 3.032 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Br)cc1OCCCO ZINC000598620098 567780570 /nfs/dbraw/zinc/78/05/70/567780570.db2.gz YJAXGEUZECCLLR-DZGCQCFKSA-N 1 0 399.329 3.162 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000598728485 567785644 /nfs/dbraw/zinc/78/56/44/567785644.db2.gz SNBDBSBZCVTNKR-SFHVURJKSA-N 1 0 394.357 3.304 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000598727774 567785855 /nfs/dbraw/zinc/78/58/55/567785855.db2.gz ZNGNSZQAOOSKDS-SFHVURJKSA-N 1 0 394.357 3.304 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000598723470 567785906 /nfs/dbraw/zinc/78/59/06/567785906.db2.gz IGAGCXLKPNKNRM-DZGCQCFKSA-N 1 0 384.307 3.379 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000598726595 567785915 /nfs/dbraw/zinc/78/59/15/567785915.db2.gz UNFKXQUNZHKFES-ZDUSSCGKSA-N 1 0 392.668 3.335 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)cc1OC ZINC000647533000 567789696 /nfs/dbraw/zinc/78/96/96/567789696.db2.gz JKGRVJVXKQMKKJ-HOCLYGCPSA-N 1 0 381.314 3.206 20 30 GGEDRO N#CCc1ccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000574842223 567800169 /nfs/dbraw/zinc/80/01/69/567800169.db2.gz KYQLODRMJDEJFJ-INIZCTEOSA-N 1 0 381.929 3.045 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccccc1 ZINC000032776962 570799471 /nfs/dbraw/zinc/79/94/71/570799471.db2.gz AMXTWZRBCDZBLP-UHFFFAOYSA-N 1 0 385.537 3.223 20 30 GGEDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1)cc2=O ZINC000103427201 570884967 /nfs/dbraw/zinc/88/49/67/570884967.db2.gz NTBMFRPSKBZROU-AWEZNQCLSA-N 1 0 393.447 3.066 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000032932900 570946062 /nfs/dbraw/zinc/94/60/62/570946062.db2.gz MWQJGJUANVBHSE-UHFFFAOYSA-N 1 0 393.512 3.464 20 30 GGEDRO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000328970689 570993618 /nfs/dbraw/zinc/99/36/18/570993618.db2.gz OQFDEDRKGXQDJZ-SJORKVTESA-N 1 0 389.887 3.271 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000828455693 601299115 /nfs/dbraw/zinc/29/91/15/601299115.db2.gz FFNLIDRWZWKEGJ-JKSBSHDWSA-N 1 0 393.487 3.083 20 30 GGEDRO C[C@@H](CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000820242468 606098826 /nfs/dbraw/zinc/09/88/26/606098826.db2.gz NGHICIDYQRKEOH-KRWDZBQOSA-N 1 0 389.507 3.081 20 30 GGEDRO C=CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C1CC1 ZINC000823903582 608267289 /nfs/dbraw/zinc/26/72/89/608267289.db2.gz DOYYTAKMJADBJR-UHFFFAOYSA-N 1 0 386.525 3.176 20 30 GGEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3cc(-c4nn[nH]n4)cc(Cl)n3)CC2)C1 ZINC000824925265 608535649 /nfs/dbraw/zinc/53/56/49/608535649.db2.gz CJNRLHMVWSJKGC-IUODEOHRSA-N 1 0 388.907 3.358 20 30 GGEDRO C[C@@H]1CC(N=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000824860395 608537048 /nfs/dbraw/zinc/53/70/48/608537048.db2.gz UJRUCNKQAQHBQX-CYBMUJFWSA-N 1 0 396.886 3.368 20 30 GGEDRO COc1ccc([C@H](CNC(=O)COc2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000053001521 1406255048 /nfs/dbraw/zinc/25/50/48/1406255048.db2.gz PZMJNMUWMLOSCQ-QFIPXVFZSA-N 1 0 393.487 3.289 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000053232049 1406336355 /nfs/dbraw/zinc/33/63/55/1406336355.db2.gz PJNCFNITAGKSEK-UNMCSNQZSA-N 1 0 384.451 3.118 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(C#N)cc1OC)c1ccccc1 ZINC000053637557 1406467504 /nfs/dbraw/zinc/46/75/04/1406467504.db2.gz ULZHSEKXMOCSFL-LJQANCHMSA-N 1 0 381.476 3.145 20 30 GGEDRO COc1ccc(N2CCC[N@H+](CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000053773138 1406506295 /nfs/dbraw/zinc/50/62/95/1406506295.db2.gz CYRWZNMUWBMSAU-UHFFFAOYSA-N 1 0 384.505 3.169 20 30 GGEDRO COc1ccc(N2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000053774249 1406508517 /nfs/dbraw/zinc/50/85/17/1406508517.db2.gz XCZMXSDXFPMCEL-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO C[C@H](CCc1ccco1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053978801 1406576226 /nfs/dbraw/zinc/57/62/26/1406576226.db2.gz VEDXWNCMZUZPFC-GOSISDBHSA-N 1 0 380.492 3.390 20 30 GGEDRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000054454775 1406741532 /nfs/dbraw/zinc/74/15/32/1406741532.db2.gz FKLRXYLPTLPOHB-WOIUINJBSA-N 1 0 382.552 3.007 20 30 GGEDRO COc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000054781937 1406823874 /nfs/dbraw/zinc/82/38/74/1406823874.db2.gz DCELDUNFOCZKJG-UHFFFAOYSA-N 1 0 392.503 3.293 20 30 GGEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000054805803 1406829541 /nfs/dbraw/zinc/82/95/41/1406829541.db2.gz ITOYHGIVDNSPPT-LJQANCHMSA-N 1 0 397.567 3.290 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(CC)cc1 ZINC000054996358 1406866821 /nfs/dbraw/zinc/86/68/21/1406866821.db2.gz FSEDCRALMFRTJV-UHFFFAOYSA-O 1 0 383.493 3.022 20 30 GGEDRO CCOC(=O)c1[nH]c(C)c(C(=O)C(C(=S)NC(C)C)[n+]2ccccc2)c1C ZINC000055009822 1406869720 /nfs/dbraw/zinc/86/97/20/1406869720.db2.gz VDRAXTFYMLVFRA-UHFFFAOYSA-O 1 0 388.513 3.033 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(CC)cc1 ZINC000055009871 1406869823 /nfs/dbraw/zinc/86/98/23/1406869823.db2.gz OSQBTAYGKAWYCQ-UHFFFAOYSA-O 1 0 397.520 3.412 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)NC(C)C)cc1 ZINC000055009687 1406869916 /nfs/dbraw/zinc/86/99/16/1406869916.db2.gz ARRHHSAEISWTGA-UHFFFAOYSA-O 1 0 385.509 3.245 20 30 GGEDRO COC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccccc2)c1C ZINC000055014484 1406871283 /nfs/dbraw/zinc/87/12/83/1406871283.db2.gz QYGBYSAVZJVTBC-UHFFFAOYSA-O 1 0 388.513 3.033 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(CO)c2)cc1 ZINC000055014185 1406871414 /nfs/dbraw/zinc/87/14/14/1406871414.db2.gz RAXKIKIDNBZMAT-UHFFFAOYSA-O 1 0 387.525 3.192 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(CC)cc1 ZINC000055025858 1406871739 /nfs/dbraw/zinc/87/17/39/1406871739.db2.gz AQHYIYNKMMWFRX-UHFFFAOYSA-O 1 0 385.509 3.246 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccccc1CC ZINC000055025869 1406871850 /nfs/dbraw/zinc/87/18/50/1406871850.db2.gz OUKZOOPNHOCULT-UHFFFAOYSA-O 1 0 385.509 3.246 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(COc3ccccc3)CC2)cc1 ZINC000055081578 1406882393 /nfs/dbraw/zinc/88/23/93/1406882393.db2.gz ZGGDBCOXNIWKPR-NRFANRHFSA-N 1 0 380.488 3.283 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(COc3ccccc3)CC2)cc1 ZINC000055081581 1406882417 /nfs/dbraw/zinc/88/24/17/1406882417.db2.gz ZGGDBCOXNIWKPR-OAQYLSRUSA-N 1 0 380.488 3.283 20 30 GGEDRO COc1ccccc1OCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055309739 1406925950 /nfs/dbraw/zinc/92/59/50/1406925950.db2.gz DVSHKRPORIORTH-UHFFFAOYSA-N 1 0 393.487 3.070 20 30 GGEDRO Cc1cccc(OCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000055309654 1406926142 /nfs/dbraw/zinc/92/61/42/1406926142.db2.gz VACVUJVIPSJWHU-UHFFFAOYSA-N 1 0 377.488 3.370 20 30 GGEDRO CCC(=O)Nc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000055388366 1406945515 /nfs/dbraw/zinc/94/55/15/1406945515.db2.gz YJWMLFJJZYPWGH-UHFFFAOYSA-N 1 0 378.476 3.111 20 30 GGEDRO COc1ccc([C@@H](C/N=C/c2c(CO)cnc(C)c2O)[NH+]2CCCCC2)cc1 ZINC000005110861 1398415492 /nfs/dbraw/zinc/41/54/92/1398415492.db2.gz HMAISRRLTMTTBY-GWJNGDFSSA-N 1 0 383.492 3.243 20 30 GGEDRO C=CCc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c(OC)c1 ZINC000007075329 1398593954 /nfs/dbraw/zinc/59/39/54/1398593954.db2.gz MCOIGVXGCGLKCW-UHFFFAOYSA-N 1 0 383.448 3.360 20 30 GGEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000007106061 1398599194 /nfs/dbraw/zinc/59/91/94/1398599194.db2.gz LYZPJYIBLBRLIO-UHFFFAOYSA-N 1 0 398.894 3.371 20 30 GGEDRO CCOC(=O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000007812192 1398750023 /nfs/dbraw/zinc/75/00/23/1398750023.db2.gz JNYIBIQQYVPGAL-UHFFFAOYSA-N 1 0 389.521 3.102 20 30 GGEDRO N#Cc1ccsc1NC(=O)COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000008546741 1398839756 /nfs/dbraw/zinc/83/97/56/1398839756.db2.gz OLCNIGWKZYYWBN-UHFFFAOYSA-N 1 0 383.473 3.401 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(CO)c2)c(C)n1C ZINC000010170557 1398878538 /nfs/dbraw/zinc/87/85/38/1398878538.db2.gz XGHJOCCPOMRXTB-UHFFFAOYSA-O 1 0 394.520 3.473 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2S(=O)(=O)N(C)C)c(O)c1 ZINC000011123286 1398952233 /nfs/dbraw/zinc/95/22/33/1398952233.db2.gz PKZFUKLRDITCIW-KGENOOAVSA-N 1 0 389.521 3.108 20 30 GGEDRO O=C(c1ccccc1)C(C(=S)NCc1ccccc1)[n+]1cccc(CO)c1 ZINC000015244776 1399146578 /nfs/dbraw/zinc/14/65/78/1399146578.db2.gz BWNVLXAWKQSXFJ-UHFFFAOYSA-O 1 0 377.489 3.195 20 30 GGEDRO COc1cccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000017517658 1399283923 /nfs/dbraw/zinc/28/39/23/1399283923.db2.gz INPPFXSUYGOPLZ-UHFFFAOYSA-N 1 0 380.517 3.472 20 30 GGEDRO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406094 1399378124 /nfs/dbraw/zinc/37/81/24/1399378124.db2.gz UTSLMPNMCWMVOU-QGZVFWFLSA-N 1 0 380.467 3.232 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021405158 1399378266 /nfs/dbraw/zinc/37/82/66/1399378266.db2.gz KYLXMVMFXSBARF-UHFFFAOYSA-N 1 0 393.516 3.028 20 30 GGEDRO COc1ccc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000021406090 1399378300 /nfs/dbraw/zinc/37/83/00/1399378300.db2.gz LEHAOXYUMIIPCV-SFHVURJKSA-N 1 0 392.503 3.102 20 30 GGEDRO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021405865 1399378559 /nfs/dbraw/zinc/37/85/59/1399378559.db2.gz BMKUPUKXJPZFHJ-INIZCTEOSA-N 1 0 397.910 3.142 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406229 1399379031 /nfs/dbraw/zinc/37/90/31/1399379031.db2.gz QPXHIDMKGUMZBP-MRXNPFEDSA-N 1 0 398.457 3.371 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406185 1399379233 /nfs/dbraw/zinc/37/92/33/1399379233.db2.gz CULJUMFZHZKXJI-MRXNPFEDSA-N 1 0 398.457 3.371 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000022014864 1399431467 /nfs/dbraw/zinc/43/14/67/1399431467.db2.gz FWJXPZHIKGFAGD-INIZCTEOSA-N 1 0 382.489 3.299 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1cccc(CO)c1 ZINC000022795234 1399504240 /nfs/dbraw/zinc/50/42/40/1399504240.db2.gz QTVPQKGVCQHVAB-UHFFFAOYSA-O 1 0 375.901 3.224 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cc(C)sc2C)C(=S)NCCOC)cc1 ZINC000022794415 1399504444 /nfs/dbraw/zinc/50/44/44/1399504444.db2.gz KCOWQHBDBXHVRR-UHFFFAOYSA-O 1 0 377.555 3.390 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000023409300 1399557569 /nfs/dbraw/zinc/55/75/69/1399557569.db2.gz HHJRNTWUJHYIDF-SFHVURJKSA-N 1 0 377.444 3.319 20 30 GGEDRO COc1cc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000023451372 1399562294 /nfs/dbraw/zinc/56/22/94/1399562294.db2.gz BOPZQGMJUHGWRA-UHFFFAOYSA-N 1 0 377.488 3.152 20 30 GGEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000023675293 1399579446 /nfs/dbraw/zinc/57/94/46/1399579446.db2.gz KQLLZTZYOHZUNJ-AUSIDOKSSA-N 1 0 396.487 3.250 20 30 GGEDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000023675301 1399579523 /nfs/dbraw/zinc/57/95/23/1399579523.db2.gz KQLLZTZYOHZUNJ-WMZHIEFXSA-N 1 0 396.487 3.250 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(NS(C)(=O)=O)c2)c(O)c1 ZINC000024824906 1399677035 /nfs/dbraw/zinc/67/70/35/1399677035.db2.gz DMZGUTPRZCVPSM-XSFVSMFZSA-N 1 0 375.494 3.229 20 30 GGEDRO Cc1nc(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000024834452 1399677927 /nfs/dbraw/zinc/67/79/27/1399677927.db2.gz DJBQZEYMOVENEX-LJQANCHMSA-N 1 0 394.544 3.361 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3C)CC2)c(OC)c1 ZINC000025227120 1399776459 /nfs/dbraw/zinc/77/64/59/1399776459.db2.gz FRIYQEUOIINLCO-NRFANRHFSA-N 1 0 396.531 3.294 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000025234416 1399777244 /nfs/dbraw/zinc/77/72/44/1399777244.db2.gz PGLJNGNQTYHVCR-PGRDOPGGSA-N 1 0 392.503 3.429 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000025237984 1399777465 /nfs/dbraw/zinc/77/74/65/1399777465.db2.gz BSYANWIWYFHRMM-APWZRJJASA-N 1 0 390.487 3.290 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000025237992 1399777852 /nfs/dbraw/zinc/77/78/52/1399777852.db2.gz BSYANWIWYFHRMM-VQIMIIECSA-N 1 0 390.487 3.290 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000025237988 1399778033 /nfs/dbraw/zinc/77/80/33/1399778033.db2.gz BSYANWIWYFHRMM-LPHOPBHVSA-N 1 0 390.487 3.290 20 30 GGEDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000025303990 1399793914 /nfs/dbraw/zinc/79/39/14/1399793914.db2.gz GCIIGLIYGCTKBJ-HSZRJFAPSA-N 1 0 393.531 3.123 20 30 GGEDRO C=CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000025637984 1399824902 /nfs/dbraw/zinc/82/49/02/1399824902.db2.gz ORTGNDMYRDEYSC-QGZVFWFLSA-N 1 0 380.488 3.437 20 30 GGEDRO Cc1cc(NC[C@H](C(C)C)[NH+]2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000026143831 1399864185 /nfs/dbraw/zinc/86/41/85/1399864185.db2.gz KZSOIRCOEBRXHN-HXUWFJFHSA-N 1 0 377.492 3.436 20 30 GGEDRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026175093 1399866698 /nfs/dbraw/zinc/86/66/98/1399866698.db2.gz MQSZSOZBZXYORE-FQEVSTJZSA-N 1 0 383.517 3.129 20 30 GGEDRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026175097 1399866776 /nfs/dbraw/zinc/86/67/76/1399866776.db2.gz MQSZSOZBZXYORE-HXUWFJFHSA-N 1 0 383.517 3.129 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000026249781 1399873341 /nfs/dbraw/zinc/87/33/41/1399873341.db2.gz QEUJMYGLRZMEMN-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO COc1ccc(C)cc1CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000026263758 1399874588 /nfs/dbraw/zinc/87/45/88/1399874588.db2.gz OSPMYDIBIFJWAN-UHFFFAOYSA-N 1 0 392.503 3.022 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000026297902 1399876419 /nfs/dbraw/zinc/87/64/19/1399876419.db2.gz XUDGZUISOTWEIX-DVECYGJZSA-N 1 0 392.547 3.400 20 30 GGEDRO COC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000026321430 1399877960 /nfs/dbraw/zinc/87/79/60/1399877960.db2.gz SIYOJAIJDATJDZ-UHFFFAOYSA-N 1 0 385.851 3.459 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1[N+](=O)[O-] ZINC000026349449 1399880980 /nfs/dbraw/zinc/88/09/80/1399880980.db2.gz GEZXZUDJXPFIGD-UHFFFAOYSA-N 1 0 384.461 3.477 20 30 GGEDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1OC(F)F ZINC000026453358 1399891834 /nfs/dbraw/zinc/89/18/34/1399891834.db2.gz YKULSWIPXLLSNJ-MRXNPFEDSA-N 1 0 392.402 3.040 20 30 GGEDRO CCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(N(C)C)cc1 ZINC000027056686 1399975158 /nfs/dbraw/zinc/97/51/58/1399975158.db2.gz HLRJYVYFAHEAAA-UHFFFAOYSA-O 1 0 382.553 3.467 20 30 GGEDRO CNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000027302494 1400017530 /nfs/dbraw/zinc/01/75/30/1400017530.db2.gz LFAYPVRVUHQCNI-UHFFFAOYSA-O 1 0 384.525 3.388 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccc(CC)cc1 ZINC000027311470 1400017981 /nfs/dbraw/zinc/01/79/81/1400017981.db2.gz PKZQWANXAZRMHB-UHFFFAOYSA-O 1 0 383.493 3.370 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(N(C)C)cc1 ZINC000027310013 1400018316 /nfs/dbraw/zinc/01/83/16/1400018316.db2.gz HISYRZLSUBKVAO-UHFFFAOYSA-O 1 0 396.536 3.080 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1cccc(CO)c1 ZINC000027311633 1400018536 /nfs/dbraw/zinc/01/85/36/1400018536.db2.gz DOUTUFXQVDFCKQ-UHFFFAOYSA-O 1 0 381.477 3.317 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc(CO)c1 ZINC000027317670 1400019050 /nfs/dbraw/zinc/01/90/50/1400019050.db2.gz UEBIOJYGCCAKPQ-UHFFFAOYSA-O 1 0 383.537 3.284 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(CO)c1 ZINC000027324664 1400019670 /nfs/dbraw/zinc/01/96/70/1400019670.db2.gz PVKZFTSBTOFZGQ-UHFFFAOYSA-O 1 0 383.537 3.284 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(CO)c1 ZINC000027325453 1400019931 /nfs/dbraw/zinc/01/99/31/1400019931.db2.gz NOJYFSGTEYDDKV-UHFFFAOYSA-O 1 0 379.452 3.073 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)CCc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000027572270 1400058823 /nfs/dbraw/zinc/05/88/23/1400058823.db2.gz JUWQHYUQMNELPP-NRFANRHFSA-N 1 0 377.488 3.453 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)CCc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000027572268 1400059429 /nfs/dbraw/zinc/05/94/29/1400059429.db2.gz JUWQHYUQMNELPP-OAQYLSRUSA-N 1 0 377.488 3.453 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000028154954 1400135069 /nfs/dbraw/zinc/13/50/69/1400135069.db2.gz SORFHDLBODHGIA-OAQYLSRUSA-N 1 0 399.922 3.159 20 30 GGEDRO COCc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000028420220 1400163977 /nfs/dbraw/zinc/16/39/77/1400163977.db2.gz VJYULKVLTZOCFN-UHFFFAOYSA-N 1 0 392.503 3.122 20 30 GGEDRO CSc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000028879433 1400206491 /nfs/dbraw/zinc/20/64/91/1400206491.db2.gz IVGOKXMCFWDOBM-UHFFFAOYSA-N 1 0 394.544 3.427 20 30 GGEDRO N#Cc1ccc(CN2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000028879390 1400206586 /nfs/dbraw/zinc/20/65/86/1400206586.db2.gz RYYYNOISFSERQX-UHFFFAOYSA-N 1 0 396.922 3.036 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028919143 1400210980 /nfs/dbraw/zinc/21/09/80/1400210980.db2.gz HOWCZFLYJIMATL-HRAATJIYSA-N 1 0 393.487 3.192 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000028960682 1400216681 /nfs/dbraw/zinc/21/66/81/1400216681.db2.gz RIVSJFMAFUUNHH-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO CCOc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000028960718 1400216790 /nfs/dbraw/zinc/21/67/90/1400216790.db2.gz NSWGKIFBQWRWJX-UHFFFAOYSA-N 1 0 392.503 3.103 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C)c3)CC2)c(OC)c1 ZINC000029632705 1400325671 /nfs/dbraw/zinc/32/56/71/1400325671.db2.gz IBWVDPYYTLCEPW-JOCHJYFZSA-N 1 0 396.531 3.294 20 30 GGEDRO COc1ccc(Cl)cc1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029985190 1400392016 /nfs/dbraw/zinc/39/20/16/1400392016.db2.gz XBFAKVWJUXMOHL-UHFFFAOYSA-N 1 0 397.906 3.497 20 30 GGEDRO CC[N@H+](CC(=O)NCCc1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742005 1400406997 /nfs/dbraw/zinc/40/69/97/1400406997.db2.gz PWBIRCCJZJEGOF-KRWDZBQOSA-N 1 0 395.503 3.317 20 30 GGEDRO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741941 1400407108 /nfs/dbraw/zinc/40/71/08/1400407108.db2.gz GONUBJHVXXYPED-GOSISDBHSA-N 1 0 392.503 3.416 20 30 GGEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000056160015 1407233380 /nfs/dbraw/zinc/23/33/80/1407233380.db2.gz JLLJITGPKGYFJR-HZPDHXFCSA-N 1 0 383.467 3.348 20 30 GGEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000056160014 1407233750 /nfs/dbraw/zinc/23/37/50/1407233750.db2.gz JLLJITGPKGYFJR-JKSUJKDBSA-N 1 0 383.467 3.348 20 30 GGEDRO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3cccc(C#N)c3)c(C)c2)CC1 ZINC000056170189 1407238914 /nfs/dbraw/zinc/23/89/14/1407238914.db2.gz BPRVHPHPTKFTHT-GOSISDBHSA-N 1 0 391.519 3.448 20 30 GGEDRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056171882 1407239432 /nfs/dbraw/zinc/23/94/32/1407239432.db2.gz ZHNBFTJHGXDEIF-HOTGVXAUSA-N 1 0 397.475 3.270 20 30 GGEDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056171883 1407239972 /nfs/dbraw/zinc/23/99/72/1407239972.db2.gz ZHNBFTJHGXDEIF-CVEARBPZSA-N 1 0 397.475 3.270 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056326889 1407299166 /nfs/dbraw/zinc/29/91/66/1407299166.db2.gz JYCISJSRDLWGOB-UHFFFAOYSA-N 1 0 392.503 3.073 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3c(F)cccc3F)CC2)cc1 ZINC000056420993 1407326773 /nfs/dbraw/zinc/32/67/73/1407326773.db2.gz PBCSOSCSKJUOAX-UHFFFAOYSA-N 1 0 398.457 3.296 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)CN2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000056495750 1407347921 /nfs/dbraw/zinc/34/79/21/1407347921.db2.gz NBTLLXSFQNVTCW-JOCHJYFZSA-N 1 0 385.552 3.080 20 30 GGEDRO COc1ccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000042927650 1403674310 /nfs/dbraw/zinc/67/43/10/1403674310.db2.gz IPFKDTGAKCXLML-UHFFFAOYSA-N 1 0 392.503 3.027 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000043086568 1403703949 /nfs/dbraw/zinc/70/39/49/1403703949.db2.gz HAFQFMGAMMHGAN-UHFFFAOYSA-N 1 0 381.476 3.102 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000043329622 1403748071 /nfs/dbraw/zinc/74/80/71/1403748071.db2.gz BNBZNYFGYXXAEL-IRXDYDNUSA-N 1 0 378.476 3.489 20 30 GGEDRO CC(=O)Nc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000043653337 1403797425 /nfs/dbraw/zinc/79/74/25/1403797425.db2.gz CUHUHFYWHZNJAK-UHFFFAOYSA-N 1 0 391.475 3.256 20 30 GGEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000043830244 1403825126 /nfs/dbraw/zinc/82/51/26/1403825126.db2.gz XEVUXQQPJKRCID-MRXNPFEDSA-N 1 0 390.491 3.269 20 30 GGEDRO C#Cc1cccc(NC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000043985114 1403855565 /nfs/dbraw/zinc/85/55/65/1403855565.db2.gz AZHQBMUZDVMFSI-UHFFFAOYSA-N 1 0 392.503 3.010 20 30 GGEDRO C#Cc1cccc(NC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000043983401 1403855579 /nfs/dbraw/zinc/85/55/79/1403855579.db2.gz NSRHHYYSDNKLGM-UHFFFAOYSA-N 1 0 376.504 3.310 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1cccc(C)c1 ZINC000044558125 1403950498 /nfs/dbraw/zinc/95/04/98/1403950498.db2.gz AVPCHPNIFKAEFP-UHFFFAOYSA-O 1 0 385.509 3.382 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccccc1 ZINC000044558078 1403950665 /nfs/dbraw/zinc/95/06/65/1403950665.db2.gz FTZWFMOYNWNXQK-UHFFFAOYSA-O 1 0 382.509 3.187 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(OC)cc2OC)C(=S)NC(C)C)cc1 ZINC000044557511 1403950793 /nfs/dbraw/zinc/95/07/93/1403950793.db2.gz NCNFDRGYEOGWJY-UHFFFAOYSA-O 1 0 387.525 3.491 20 30 GGEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)oc2c1C(=O)CCC2 ZINC000044566475 1403952205 /nfs/dbraw/zinc/95/22/05/1403952205.db2.gz LZPLTMCHODZCBY-UHFFFAOYSA-N 1 0 379.460 3.183 20 30 GGEDRO CO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000045577760 1404150510 /nfs/dbraw/zinc/15/05/10/1404150510.db2.gz ZAPRBWPUZGIFPZ-NRFANRHFSA-N 1 0 380.492 3.019 20 30 GGEDRO N#Cc1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)ccc1OCC(F)(F)F ZINC000046033441 1404280772 /nfs/dbraw/zinc/28/07/72/1404280772.db2.gz INBBUCOZVGNDSL-UHFFFAOYSA-N 1 0 382.386 3.248 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1 ZINC000046040119 1404282347 /nfs/dbraw/zinc/28/23/47/1404282347.db2.gz WPGYRKFIRVTWMD-UHFFFAOYSA-N 1 0 380.492 3.278 20 30 GGEDRO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086872 1404292677 /nfs/dbraw/zinc/29/26/77/1404292677.db2.gz DTJXEDKSGHBFJQ-OAQYLSRUSA-N 1 0 379.504 3.127 20 30 GGEDRO COCc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000046158191 1404316009 /nfs/dbraw/zinc/31/60/09/1404316009.db2.gz OBMNTUWIYPLPPH-UHFFFAOYSA-N 1 0 392.503 3.122 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(OC)c1 ZINC000046343147 1404373560 /nfs/dbraw/zinc/37/35/60/1404373560.db2.gz MMMSQIJZZLUCQR-LJQANCHMSA-N 1 0 399.487 3.067 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000046426603 1404409476 /nfs/dbraw/zinc/40/94/76/1404409476.db2.gz HQVAKIHMSNJIKX-BGYRXZFFSA-N 1 0 397.567 3.148 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)COc3ccccc3C#N)cc2)C1 ZINC000046596464 1404497873 /nfs/dbraw/zinc/49/78/73/1404497873.db2.gz VSEJTFMBFPAAEN-SFHVURJKSA-N 1 0 377.488 3.485 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000056729274 1407410540 /nfs/dbraw/zinc/41/05/40/1407410540.db2.gz QOJUPIAKOZPTBT-UHFFFAOYSA-N 1 0 379.464 3.138 20 30 GGEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)COc2ccccc2C#N)CC1 ZINC000046640057 1404525231 /nfs/dbraw/zinc/52/52/31/1404525231.db2.gz GTKNVEBYKSKZDA-UHFFFAOYSA-N 1 0 377.488 3.485 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2ccccc2C#N)C1 ZINC000046714340 1404562234 /nfs/dbraw/zinc/56/22/34/1404562234.db2.gz BXMNMOXXPYXCHI-SFHVURJKSA-N 1 0 377.488 3.485 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000046751159 1404576861 /nfs/dbraw/zinc/57/68/61/1404576861.db2.gz MOELMNFHXZVTCM-FQEVSTJZSA-N 1 0 397.567 3.435 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000046751409 1404576995 /nfs/dbraw/zinc/57/69/95/1404576995.db2.gz SCDDCJRITYXMQS-FQEVSTJZSA-N 1 0 397.567 3.040 20 30 GGEDRO C[C@@H]1CCCC[C@H]1OCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000046830674 1404606532 /nfs/dbraw/zinc/60/65/32/1404606532.db2.gz KNQHYBVYXZNUNG-WIYYLYMNSA-N 1 0 386.540 3.227 20 30 GGEDRO C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046831545 1404606597 /nfs/dbraw/zinc/60/65/97/1404606597.db2.gz OZTHNBNNWIWIQK-UGKGYDQZSA-N 1 0 398.551 3.371 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)C(C)C ZINC000046905577 1404629987 /nfs/dbraw/zinc/62/99/87/1404629987.db2.gz QVAMYPFDGMYBTP-JXFKEZNVSA-N 1 0 384.524 3.240 20 30 GGEDRO CC(=O)Nc1ccc(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010273 1404673390 /nfs/dbraw/zinc/67/33/90/1404673390.db2.gz HQQNGPJERSAEDJ-JLHYYAGUSA-N 1 0 390.487 3.120 20 30 GGEDRO COc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000047011363 1404674021 /nfs/dbraw/zinc/67/40/21/1404674021.db2.gz SEYLHKCXRIKNSX-UHFFFAOYSA-N 1 0 383.467 3.229 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000047010978 1404674305 /nfs/dbraw/zinc/67/43/05/1404674305.db2.gz AGIINJLUQAEUKF-UHFFFAOYSA-N 1 0 385.851 3.144 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000047011796 1404675124 /nfs/dbraw/zinc/67/51/24/1404675124.db2.gz ZIILHEMYUADXII-UHFFFAOYSA-N 1 0 397.523 3.152 20 30 GGEDRO N#Cc1ccc(OCC[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000047262559 1404776483 /nfs/dbraw/zinc/77/64/83/1404776483.db2.gz RTXBCJUTYZPHEG-UHFFFAOYSA-N 1 0 384.867 3.336 20 30 GGEDRO N#Cc1cccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000047338248 1404810765 /nfs/dbraw/zinc/81/07/65/1404810765.db2.gz IYIOVJUSTQCQJQ-UHFFFAOYSA-N 1 0 377.492 3.282 20 30 GGEDRO O=C(Nc1nnc(SCc2ccccc2)s1)N1CC[NH+](CC2CC2)CC1 ZINC000047350468 1404813721 /nfs/dbraw/zinc/81/37/21/1404813721.db2.gz OZMVQQBSWTZGTA-UHFFFAOYSA-N 1 0 389.550 3.404 20 30 GGEDRO C#Cc1cccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000047399760 1404826435 /nfs/dbraw/zinc/82/64/35/1404826435.db2.gz NNRKDGRMOJMRJN-UHFFFAOYSA-N 1 0 376.504 3.392 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)NCc1cccc(C#N)c1)[NH+]1CCCC1 ZINC000047914860 1404994075 /nfs/dbraw/zinc/99/40/75/1404994075.db2.gz YDFRLJHCXJQGKJ-HXUWFJFHSA-N 1 0 378.476 3.203 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)NCc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000047914862 1404994440 /nfs/dbraw/zinc/99/44/40/1404994440.db2.gz USSWOJAXKGGYHY-HXUWFJFHSA-N 1 0 378.476 3.203 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)NCC#Cc1ccccc1)[NH+]1CCCC1 ZINC000047914898 1404994561 /nfs/dbraw/zinc/99/45/61/1404994561.db2.gz YTLYIWKPXSBDTJ-OAQYLSRUSA-N 1 0 377.488 3.183 20 30 GGEDRO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000048059468 1405037367 /nfs/dbraw/zinc/03/73/67/1405037367.db2.gz PULZHXQONAXZPV-UHFFFAOYSA-N 1 0 390.531 3.450 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000048149437 1405075439 /nfs/dbraw/zinc/07/54/39/1405075439.db2.gz WCFXWPFCQCQZLH-SFHVURJKSA-N 1 0 382.464 3.154 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000048160253 1405079743 /nfs/dbraw/zinc/07/97/43/1405079743.db2.gz INWYIQABVSAXNB-UHFFFAOYSA-N 1 0 392.503 3.172 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048160713 1405080428 /nfs/dbraw/zinc/08/04/28/1405080428.db2.gz HDFRVMLOXGIDBN-HDICACEKSA-N 1 0 386.540 3.482 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000048161305 1405080545 /nfs/dbraw/zinc/08/05/45/1405080545.db2.gz DCYMJVHNQUNPCP-LJQANCHMSA-N 1 0 384.455 3.166 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000048238884 1405110131 /nfs/dbraw/zinc/11/01/31/1405110131.db2.gz LDMLHCCCGWHQSE-UHFFFAOYSA-N 1 0 392.528 3.254 20 30 GGEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)C(C)C ZINC000048693107 1405261123 /nfs/dbraw/zinc/26/11/23/1405261123.db2.gz QTIDVGKRQATNTB-UHFFFAOYSA-N 1 0 397.544 3.321 20 30 GGEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)C1 ZINC000048746635 1405279315 /nfs/dbraw/zinc/27/93/15/1405279315.db2.gz MNUAEQXSVLHIKT-QGZVFWFLSA-N 1 0 383.517 3.269 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000048827247 1405300059 /nfs/dbraw/zinc/30/00/59/1405300059.db2.gz GRLDHXGTPLYNRT-QZTJIDSGSA-N 1 0 392.503 3.167 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000048827390 1405300656 /nfs/dbraw/zinc/30/06/56/1405300656.db2.gz BUQPCVOGZWLXOX-ROUUACIJSA-N 1 0 392.503 3.167 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000048850910 1405307536 /nfs/dbraw/zinc/30/75/36/1405307536.db2.gz WALJLKCNRYBIPS-IBGZPJMESA-N 1 0 398.894 3.349 20 30 GGEDRO N#Cc1ccc(CSCC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000048975150 1405329943 /nfs/dbraw/zinc/32/99/43/1405329943.db2.gz PMSKZCVDLQUMLT-UHFFFAOYSA-N 1 0 389.590 3.269 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1Cl ZINC000049392687 1405375679 /nfs/dbraw/zinc/37/56/79/1405375679.db2.gz BFSJHHGGXXAFGE-UHFFFAOYSA-N 1 0 396.878 3.062 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)CNc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000050025166 1405454446 /nfs/dbraw/zinc/45/44/46/1405454446.db2.gz IFMPYDMOGXCQIO-JOCHJYFZSA-N 1 0 392.503 3.322 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000050031621 1405457479 /nfs/dbraw/zinc/45/74/79/1405457479.db2.gz IHMMBZSEKOGPGJ-SFHVURJKSA-N 1 0 377.488 3.183 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000050031810 1405457887 /nfs/dbraw/zinc/45/78/87/1405457887.db2.gz YGJMHABRFYFOMZ-SFHVURJKSA-N 1 0 389.499 3.461 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000050076378 1405472405 /nfs/dbraw/zinc/47/24/05/1405472405.db2.gz UBTRWRSJCBPNTQ-INIZCTEOSA-N 1 0 386.525 3.343 20 30 GGEDRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000051058929 1405715877 /nfs/dbraw/zinc/71/58/77/1405715877.db2.gz AAAXUPIEVNJQKV-PMACEKPBSA-N 1 0 398.551 3.259 20 30 GGEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000051059887 1405716813 /nfs/dbraw/zinc/71/68/13/1405716813.db2.gz QCRYROIABKYNSZ-HXUWFJFHSA-N 1 0 398.551 3.178 20 30 GGEDRO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132794 1405728454 /nfs/dbraw/zinc/72/84/54/1405728454.db2.gz FMHKNBVBVDTTQP-FUPPJEDESA-N 1 0 380.488 3.398 20 30 GGEDRO C=CCc1cc(CNC(=O)NCC2([NH+](C)C)CCCC2)cc(OC)c1OC ZINC000051778200 1405862645 /nfs/dbraw/zinc/86/26/45/1405862645.db2.gz QRUDGHCCJQTZFP-UHFFFAOYSA-N 1 0 375.513 3.106 20 30 GGEDRO C=CCc1cc(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000051778536 1405863300 /nfs/dbraw/zinc/86/33/00/1405863300.db2.gz ZXZZXGOURYHVPS-QGZVFWFLSA-N 1 0 389.540 3.354 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3sccc3C#N)CC2)c1 ZINC000052034865 1405908130 /nfs/dbraw/zinc/90/81/30/1405908130.db2.gz ZVFMVBMRMAFCBG-UHFFFAOYSA-N 1 0 382.533 3.260 20 30 GGEDRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409063 1406044335 /nfs/dbraw/zinc/04/43/35/1406044335.db2.gz SCZXLGITMSZJBU-KNQAVFIVSA-N 1 0 382.552 3.103 20 30 GGEDRO C[C@H](Cc1ccsc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052582961 1406089003 /nfs/dbraw/zinc/08/90/03/1406089003.db2.gz OHBCLKIYPNTQII-QGZVFWFLSA-N 1 0 382.533 3.468 20 30 GGEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052830025 1406191753 /nfs/dbraw/zinc/19/17/53/1406191753.db2.gz WGUTYEDNFRSHQJ-MRXNPFEDSA-N 1 0 384.867 3.336 20 30 GGEDRO C[NH+]=C(NCc1ccoc1)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000176311071 1428236708 /nfs/dbraw/zinc/23/67/08/1428236708.db2.gz RMWPAPJBKUJUFD-CQSZACIVSA-N 1 0 391.313 3.234 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(N2CCOC2=O)cc1)C(C)C ZINC000056767354 1407425969 /nfs/dbraw/zinc/42/59/69/1407425969.db2.gz JVBGHVGWKBCKMM-IBGZPJMESA-N 1 0 386.496 3.463 20 30 GGEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000056845662 1407453346 /nfs/dbraw/zinc/45/33/46/1407453346.db2.gz VVJPYOSTRBUCIE-UHFFFAOYSA-N 1 0 394.519 3.452 20 30 GGEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000056863798 1407459105 /nfs/dbraw/zinc/45/91/05/1407459105.db2.gz VHFPFVKOGMUROY-UHFFFAOYSA-N 1 0 379.504 3.451 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000176325045 1428245771 /nfs/dbraw/zinc/24/57/71/1428245771.db2.gz QAPUQLAZZCSLBI-NRFANRHFSA-N 1 0 392.503 3.252 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)CC1 ZINC000057170095 1407543097 /nfs/dbraw/zinc/54/30/97/1407543097.db2.gz AFXGEBSRDBBSCV-UHFFFAOYSA-N 1 0 387.480 3.326 20 30 GGEDRO N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000057171934 1407543719 /nfs/dbraw/zinc/54/37/19/1407543719.db2.gz NALSWLSRFDSPMW-QHCPKHFHSA-N 1 0 388.515 3.262 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C3(C#N)CCCCC3)CC2)c1 ZINC000057387544 1407604528 /nfs/dbraw/zinc/60/45/28/1407604528.db2.gz FINOZVNFCBBHKY-UHFFFAOYSA-N 1 0 382.552 3.488 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000057612680 1407665904 /nfs/dbraw/zinc/66/59/04/1407665904.db2.gz BXMBAEJJMUXAQE-RTBURBONSA-N 1 0 386.540 3.084 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000057617663 1407668644 /nfs/dbraw/zinc/66/86/44/1407668644.db2.gz WHSXYPREMPDFAT-AVRDEDQJSA-N 1 0 386.540 3.227 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000057618221 1407668774 /nfs/dbraw/zinc/66/87/74/1407668774.db2.gz CQXYEAGCBNJUBL-GOSISDBHSA-N 1 0 386.540 3.227 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccsc1 ZINC000057665518 1407679149 /nfs/dbraw/zinc/67/91/49/1407679149.db2.gz GMCPOWVQJJHBNP-SFHVURJKSA-N 1 0 384.505 3.066 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccsc1 ZINC000057665519 1407679327 /nfs/dbraw/zinc/67/93/27/1407679327.db2.gz GMCPOWVQJJHBNP-GOSISDBHSA-N 1 0 384.505 3.066 20 30 GGEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000057671080 1407680872 /nfs/dbraw/zinc/68/08/72/1407680872.db2.gz IQGJZERLUKFFMK-UHFFFAOYSA-N 1 0 398.532 3.237 20 30 GGEDRO C[C@@H]1CCC[C@@](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)([NH+](C)C)C1 ZINC000057859045 1407740840 /nfs/dbraw/zinc/74/08/40/1407740840.db2.gz LCLJOWZEMDONEC-AUSIDOKSSA-N 1 0 397.567 3.290 20 30 GGEDRO COCc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000058058596 1407777626 /nfs/dbraw/zinc/77/76/26/1407777626.db2.gz YKVQQRZKLKMVPQ-UHFFFAOYSA-N 1 0 378.476 3.444 20 30 GGEDRO Cc1nc(SCC(=O)N2CCC([NH+]3CCCCC3)CC2)c(C#N)c(C)c1C ZINC000058269040 1407804077 /nfs/dbraw/zinc/80/40/77/1407804077.db2.gz KMHHWTLRAVACPP-UHFFFAOYSA-N 1 0 386.565 3.448 20 30 GGEDRO CCN1C[C@@H](C[N@H+](C)CCC(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000058289136 1407807451 /nfs/dbraw/zinc/80/74/51/1407807451.db2.gz BVGLRPOKQYEMPU-MRXNPFEDSA-N 1 0 384.505 3.168 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000058490817 1407836304 /nfs/dbraw/zinc/83/63/04/1407836304.db2.gz AMZJQZLGNWOHSG-LJQANCHMSA-N 1 0 377.444 3.495 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCSCc3ccccn3)CC2)cc1 ZINC000058855633 1407889382 /nfs/dbraw/zinc/88/93/82/1407889382.db2.gz MQOYANKNFZZKNB-UHFFFAOYSA-N 1 0 394.544 3.311 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879887 1407893489 /nfs/dbraw/zinc/89/34/89/1407893489.db2.gz CFHZNXMKAMJPHS-UHFFFAOYSA-N 1 0 399.583 3.461 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000058991041 1407908858 /nfs/dbraw/zinc/90/88/58/1407908858.db2.gz ILTDPJCDJVOKAM-UHFFFAOYSA-N 1 0 399.514 3.076 20 30 GGEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)NC3CC[NH+](C)CC3)c2)c1 ZINC000059040604 1407914482 /nfs/dbraw/zinc/91/44/82/1407914482.db2.gz UMXVMGFWGPRDBV-UHFFFAOYSA-N 1 0 391.471 3.089 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000060089834 1407936963 /nfs/dbraw/zinc/93/69/63/1407936963.db2.gz CZKHWPWETKMGCM-LJQANCHMSA-N 1 0 377.444 3.495 20 30 GGEDRO CC1CC[NH+](Cc2cccc(CNS(=O)(=O)c3ccc(C#N)cc3)c2)CC1 ZINC000060370098 1407963740 /nfs/dbraw/zinc/96/37/40/1407963740.db2.gz MGBTWFXHOLQBAU-UHFFFAOYSA-N 1 0 383.517 3.269 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000060533201 1407997360 /nfs/dbraw/zinc/99/73/60/1407997360.db2.gz YTBSYMPAMSYWJB-UHFFFAOYSA-N 1 0 386.540 3.371 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000060562336 1408002977 /nfs/dbraw/zinc/00/29/77/1408002977.db2.gz RBOMWGARBBCQEN-QFIPXVFZSA-N 1 0 383.492 3.358 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000061029469 1408067573 /nfs/dbraw/zinc/06/75/73/1408067573.db2.gz WNGCBVPVLQDOGB-UHFFFAOYSA-N 1 0 386.517 3.019 20 30 GGEDRO COc1ccc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000061432955 1408127270 /nfs/dbraw/zinc/12/72/70/1408127270.db2.gz LSTVUTNFQSNFTL-UHFFFAOYSA-N 1 0 393.487 3.120 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2OC)C1)CC(F)(F)F ZINC000176392663 1428295810 /nfs/dbraw/zinc/29/58/10/1428295810.db2.gz WXBDRUXRXZPVRX-MRXNPFEDSA-N 1 0 385.430 3.152 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000176394031 1428297928 /nfs/dbraw/zinc/29/79/28/1428297928.db2.gz GXIBUPPLBPXTBP-INIZCTEOSA-N 1 0 382.430 3.093 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C)C(C)C ZINC000062205208 1408217495 /nfs/dbraw/zinc/21/74/95/1408217495.db2.gz TZDJWJMGZRVKQU-GOSISDBHSA-N 1 0 377.916 3.402 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1C)C(C)C ZINC000062205178 1408217694 /nfs/dbraw/zinc/21/76/94/1408217694.db2.gz JWZYZMZNMLVZPU-GOSISDBHSA-N 1 0 377.916 3.402 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000062243321 1408223863 /nfs/dbraw/zinc/22/38/63/1408223863.db2.gz JENGNCGJVQWARD-IBGZPJMESA-N 1 0 384.568 3.444 20 30 GGEDRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(OC)c1 ZINC000062373129 1408246293 /nfs/dbraw/zinc/24/62/93/1408246293.db2.gz NQNKWXFXGDKBFN-UHFFFAOYSA-N 1 0 382.464 3.171 20 30 GGEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000062586368 1408281220 /nfs/dbraw/zinc/28/12/20/1408281220.db2.gz HTUOIDNLZIXXLC-INIZCTEOSA-N 1 0 394.475 3.054 20 30 GGEDRO CC(=O)c1cccc(O[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000062880120 1408294373 /nfs/dbraw/zinc/29/43/73/1408294373.db2.gz YMUJAWYUPBNQCJ-GOSISDBHSA-N 1 0 393.487 3.119 20 30 GGEDRO N#Cc1cccc(OCC[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000063301035 1408331934 /nfs/dbraw/zinc/33/19/34/1408331934.db2.gz WCHMZJFQVIPWEV-UHFFFAOYSA-N 1 0 383.517 3.069 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)CC(F)(F)F ZINC000176414636 1428310480 /nfs/dbraw/zinc/31/04/80/1428310480.db2.gz IWXXGQNUFSXNGX-OAHLLOKOSA-N 1 0 393.413 3.314 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(=NNC(=S)NCc3ccccc3)CC2)cc1 ZINC000063358830 1408343790 /nfs/dbraw/zinc/34/37/90/1408343790.db2.gz NLVDLFYHWXNSBX-UHFFFAOYSA-N 1 0 377.517 3.174 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000063401429 1408348934 /nfs/dbraw/zinc/34/89/34/1408348934.db2.gz AKQHIVTVRDDIIC-UHFFFAOYSA-N 1 0 389.503 3.315 20 30 GGEDRO CCc1c(C(=O)C(C(=S)NC2CC2)[n+]2ccc(C)cc2)[nH]c(C)c1C(C)=O ZINC000063440202 1408354370 /nfs/dbraw/zinc/35/43/70/1408354370.db2.gz HIVIFYYPQSJTCQ-UHFFFAOYSA-O 1 0 384.525 3.375 20 30 GGEDRO CC[N@H+](C[C@H](O)COc1c(OC)cccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000063506793 1408364999 /nfs/dbraw/zinc/36/49/99/1408364999.db2.gz WQVHSKPHNJTNPF-APWZRJJASA-N 1 0 384.476 3.398 20 30 GGEDRO Cc1ccccc1NC(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000063509698 1408365565 /nfs/dbraw/zinc/36/55/65/1408365565.db2.gz PLRQJRUEYSVHPI-UHFFFAOYSA-N 1 0 380.492 3.257 20 30 GGEDRO CCCNC(=O)C[N@H+](CCC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000063525751 1408367862 /nfs/dbraw/zinc/36/78/62/1408367862.db2.gz RUOOUSRWJXEHGN-UHFFFAOYSA-N 1 0 390.553 3.065 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000063644354 1408386713 /nfs/dbraw/zinc/38/67/13/1408386713.db2.gz VACIRVXJTOCDIC-JOCHJYFZSA-N 1 0 377.488 3.198 20 30 GGEDRO CC(C)[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccc(C#N)cc1 ZINC000063750619 1408401921 /nfs/dbraw/zinc/40/19/21/1408401921.db2.gz AVDUSENVZXVSDN-UHFFFAOYSA-N 1 0 396.560 3.175 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000063915358 1408444560 /nfs/dbraw/zinc/44/45/60/1408444560.db2.gz CZZUTSJPDAUEDK-UHFFFAOYSA-N 1 0 377.488 3.443 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)N2CC[NH+](CCc3cccs3)CC2)c(C#N)c1C ZINC000064351897 1408538768 /nfs/dbraw/zinc/53/87/68/1408538768.db2.gz XUZLSXDSEGZGRU-HNNXBMFYSA-N 1 0 386.521 3.017 20 30 GGEDRO Cc1nc(COc2cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c2)cs1 ZINC000064361435 1408540488 /nfs/dbraw/zinc/54/04/88/1408540488.db2.gz JUDILJIVPBEAEL-UHFFFAOYSA-N 1 0 386.521 3.338 20 30 GGEDRO Cc1sc2ncnc(SCC(=O)N(CCC#N)CCC[NH+](C)C)c2c1C ZINC000064381185 1408542547 /nfs/dbraw/zinc/54/25/47/1408542547.db2.gz MCQUZTJWJYMZFV-UHFFFAOYSA-N 1 0 391.566 3.094 20 30 GGEDRO N#Cc1cccc(OCC[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000064481402 1408565243 /nfs/dbraw/zinc/56/52/43/1408565243.db2.gz IIDOZGLKRGHKFF-UHFFFAOYSA-N 1 0 383.879 3.439 20 30 GGEDRO CSc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000064598393 1408583769 /nfs/dbraw/zinc/58/37/69/1408583769.db2.gz PHIRBCOHAJGDPD-UHFFFAOYSA-N 1 0 389.546 3.033 20 30 GGEDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc(C)c2)cc1OCCCC#N ZINC000064614333 1408585994 /nfs/dbraw/zinc/58/59/94/1408585994.db2.gz PEJRRENFIKKTIK-IBGZPJMESA-N 1 0 384.476 3.216 20 30 GGEDRO COc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1OCCCC#N ZINC000064613923 1408586020 /nfs/dbraw/zinc/58/60/20/1408586020.db2.gz CSDGZMDFPCZUKO-UHFFFAOYSA-N 1 0 391.475 3.307 20 30 GGEDRO COc1ccc(C[NH2+]CCNC(=O)c2cccc(C)c2)cc1OCCCC#N ZINC000064614231 1408586102 /nfs/dbraw/zinc/58/61/02/1408586102.db2.gz VTJXQHOMWKHEOW-UHFFFAOYSA-N 1 0 381.476 3.206 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000064722555 1408600724 /nfs/dbraw/zinc/60/07/24/1408600724.db2.gz ORHBAJIFLUPKSQ-UHFFFAOYSA-N 1 0 377.492 3.059 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000065104717 1408645180 /nfs/dbraw/zinc/64/51/80/1408645180.db2.gz CMDBHSXIXYQDRD-UHFFFAOYSA-N 1 0 381.495 3.402 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000065508446 1408680742 /nfs/dbraw/zinc/68/07/42/1408680742.db2.gz XIFIJYBGZNQWIE-LEWJYISDSA-N 1 0 380.467 3.327 20 30 GGEDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000065512346 1408681937 /nfs/dbraw/zinc/68/19/37/1408681937.db2.gz BMNWBSJHCNAWMH-HXUWFJFHSA-N 1 0 383.448 3.311 20 30 GGEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000065520661 1408683002 /nfs/dbraw/zinc/68/30/02/1408683002.db2.gz FLIXFYRSTYGMCS-CYBMUJFWSA-N 1 0 384.402 3.351 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CC)CC2CCN(c3ccccn3)CC2)CC1 ZINC000176500025 1428341599 /nfs/dbraw/zinc/34/15/99/1428341599.db2.gz QUHXSCNQHDSEKM-UHFFFAOYSA-N 1 0 399.583 3.370 20 30 GGEDRO Cc1ccc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000065699301 1408713893 /nfs/dbraw/zinc/71/38/93/1408713893.db2.gz IQEIXUPENPKYJF-UHFFFAOYSA-N 1 0 378.520 3.491 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000065746518 1408723005 /nfs/dbraw/zinc/72/30/05/1408723005.db2.gz JQMWVMOEFDTTKX-UHFFFAOYSA-N 1 0 387.524 3.449 20 30 GGEDRO CC(C)Oc1cccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930310 1408755943 /nfs/dbraw/zinc/75/59/43/1408755943.db2.gz TXSVNXIHWZTSAS-UHFFFAOYSA-N 1 0 379.504 3.478 20 30 GGEDRO CC(C)C(=O)Nc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930587 1408756124 /nfs/dbraw/zinc/75/61/24/1408756124.db2.gz DCDOLGIVLPQXTD-UHFFFAOYSA-N 1 0 392.503 3.357 20 30 GGEDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000065931365 1408756155 /nfs/dbraw/zinc/75/61/55/1408756155.db2.gz RAXAZBQQMGFMJL-UHFFFAOYSA-N 1 0 396.447 3.069 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000065931127 1408756333 /nfs/dbraw/zinc/75/63/33/1408756333.db2.gz IMWIUOQKOGBFOO-UHFFFAOYSA-N 1 0 385.851 3.144 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000065931015 1408756384 /nfs/dbraw/zinc/75/63/84/1408756384.db2.gz WVVJHJCAECPNTA-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cn2cccn2)cc1 ZINC000065930771 1408756550 /nfs/dbraw/zinc/75/65/50/1408756550.db2.gz DRJSPEQZTMGJSC-UHFFFAOYSA-N 1 0 387.487 3.007 20 30 GGEDRO Cc1ccc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931163 1408756572 /nfs/dbraw/zinc/75/65/72/1408756572.db2.gz POSRJFDSLZRAEP-UHFFFAOYSA-N 1 0 377.488 3.420 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000065939724 1408759906 /nfs/dbraw/zinc/75/99/06/1408759906.db2.gz JLGKDVLUZALDHF-UHFFFAOYSA-N 1 0 399.514 3.076 20 30 GGEDRO C#CCC[NH+]1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC000065945120 1408760809 /nfs/dbraw/zinc/76/08/09/1408760809.db2.gz IIMMNYMZJWVORX-UHFFFAOYSA-N 1 0 389.528 3.387 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065964592 1408763683 /nfs/dbraw/zinc/76/36/83/1408763683.db2.gz DEKLFJMHYGHMLJ-UHFFFAOYSA-N 1 0 382.508 3.048 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065965119 1408764558 /nfs/dbraw/zinc/76/45/58/1408764558.db2.gz JXCMVMHQPNVTSD-UHFFFAOYSA-N 1 0 388.537 3.109 20 30 GGEDRO Cc1cc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065975167 1408765883 /nfs/dbraw/zinc/76/58/83/1408765883.db2.gz HLHXGDDEHCXGQN-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000065975194 1408765991 /nfs/dbraw/zinc/76/59/91/1408765991.db2.gz GDFCUZMDKBXAAM-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(c2cc(C)ccc2OC)CCOCC1 ZINC000066392653 1408829434 /nfs/dbraw/zinc/82/94/34/1408829434.db2.gz FZOOVTLKKDFCAM-LJQANCHMSA-N 1 0 388.552 3.455 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000066422701 1408835302 /nfs/dbraw/zinc/83/53/02/1408835302.db2.gz XXTJBMBUIGBEKB-JOCHJYFZSA-N 1 0 399.514 3.145 20 30 GGEDRO C[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000066621026 1408870486 /nfs/dbraw/zinc/87/04/86/1408870486.db2.gz LLFOZAVXQFYLFQ-MOPGFXCFSA-N 1 0 384.524 3.093 20 30 GGEDRO C[C@H]1CCC[C@@](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)([NH+](C)C)C1 ZINC000066623108 1408871545 /nfs/dbraw/zinc/87/15/45/1408871545.db2.gz YJQMITJJLKXERT-WMZHIEFXSA-N 1 0 398.551 3.340 20 30 GGEDRO CC[NH+]1CCC(n2nccc2NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000066663159 1408879156 /nfs/dbraw/zinc/87/91/56/1408879156.db2.gz FVDPDGISHAAABO-UHFFFAOYSA-N 1 0 383.521 3.283 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000066676489 1408882699 /nfs/dbraw/zinc/88/26/99/1408882699.db2.gz FXXLDYLOTGJNQJ-UHFFFAOYSA-N 1 0 377.488 3.308 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000066749773 1408899154 /nfs/dbraw/zinc/89/91/54/1408899154.db2.gz LOSMHWNMPPDWGQ-UHFFFAOYSA-N 1 0 381.451 3.119 20 30 GGEDRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000176545316 1428358567 /nfs/dbraw/zinc/35/85/67/1428358567.db2.gz VICJZZWCWGZZDZ-UHFFFAOYSA-N 1 0 385.434 3.471 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176547493 1428359346 /nfs/dbraw/zinc/35/93/46/1428359346.db2.gz IVNVVMQFNZHEPV-UHFFFAOYSA-N 1 0 387.572 3.221 20 30 GGEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000176548554 1428359957 /nfs/dbraw/zinc/35/99/57/1428359957.db2.gz OTWXRBLSLYLDRN-UHFFFAOYSA-N 1 0 396.878 3.062 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000066877558 1408940346 /nfs/dbraw/zinc/94/03/46/1408940346.db2.gz LXHUDLNDTJUPDY-QHCPKHFHSA-N 1 0 396.510 3.339 20 30 GGEDRO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000176554447 1428361903 /nfs/dbraw/zinc/36/19/03/1428361903.db2.gz XJQMYDSJJOROJP-GOSISDBHSA-N 1 0 399.539 3.400 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@@H](C)N1CCOCC1 ZINC000066906036 1408948660 /nfs/dbraw/zinc/94/86/60/1408948660.db2.gz ROKQBPRCVJQLMC-RTBURBONSA-N 1 0 379.504 3.336 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC1 ZINC000066921749 1408952032 /nfs/dbraw/zinc/95/20/32/1408952032.db2.gz DTWULCHYZZJMHY-UHFFFAOYSA-N 1 0 385.851 3.469 20 30 GGEDRO Cc1cc(N2CCSCC2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000176558360 1428363003 /nfs/dbraw/zinc/36/30/03/1428363003.db2.gz AVNUYWDBLWBPQO-UHFFFAOYSA-N 1 0 389.569 3.248 20 30 GGEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)o1 ZINC000066944033 1408959276 /nfs/dbraw/zinc/95/92/76/1408959276.db2.gz RHZGRFINBWZSJE-GOSISDBHSA-N 1 0 379.460 3.431 20 30 GGEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066953594 1408962960 /nfs/dbraw/zinc/96/29/60/1408962960.db2.gz UAFDYASVVGJHPV-QGZVFWFLSA-N 1 0 393.491 3.108 20 30 GGEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[NH+](C)C ZINC000066983708 1408971368 /nfs/dbraw/zinc/97/13/68/1408971368.db2.gz CPBHSPKLEJADNF-HOTGVXAUSA-N 1 0 390.553 3.112 20 30 GGEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000067010304 1408979732 /nfs/dbraw/zinc/97/97/32/1408979732.db2.gz UTXPHMAVQXPWGT-MRXNPFEDSA-N 1 0 387.505 3.128 20 30 GGEDRO COc1cc2c(cc1C[NH2+]C1CCN(c3ccc(C#N)cn3)CC1)O[C@H](C)C2 ZINC000067011003 1408980009 /nfs/dbraw/zinc/98/00/09/1408980009.db2.gz HIPRMMBTAAGROR-OAHLLOKOSA-N 1 0 378.476 3.044 20 30 GGEDRO C=C(Br)CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000067066101 1408998513 /nfs/dbraw/zinc/99/85/13/1408998513.db2.gz WUUFIRXGGMZIHX-UHFFFAOYSA-N 1 0 380.330 3.449 20 30 GGEDRO CC1CC[NH+](C[C@H](O)CNCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000067122176 1409013287 /nfs/dbraw/zinc/01/32/87/1409013287.db2.gz AMIYBOTYGONXLD-HSZRJFAPSA-N 1 0 393.531 3.320 20 30 GGEDRO CC1CC[NH+](C[C@@H](O)CNCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000067122205 1409013298 /nfs/dbraw/zinc/01/32/98/1409013298.db2.gz VSUKRDFGPLTLAQ-QHCPKHFHSA-N 1 0 393.531 3.320 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)CC1 ZINC000067163098 1409028387 /nfs/dbraw/zinc/02/83/87/1409028387.db2.gz AQWLCKQEXMPJBL-UHFFFAOYSA-N 1 0 375.900 3.106 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000176577438 1428368816 /nfs/dbraw/zinc/36/88/16/1428368816.db2.gz MTPVFCINBXZUOW-YLJYHZDGSA-N 1 0 378.476 3.051 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)CC1 ZINC000067207153 1409042426 /nfs/dbraw/zinc/04/24/26/1409042426.db2.gz QHKAUEBCNZWEEQ-ROUUACIJSA-N 1 0 395.547 3.397 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)c1 ZINC000067324020 1409073403 /nfs/dbraw/zinc/07/34/03/1409073403.db2.gz IYLZHLYPEOBMGD-NRFANRHFSA-N 1 0 395.503 3.171 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000067327278 1409075475 /nfs/dbraw/zinc/07/54/75/1409075475.db2.gz WETXOWFDYWXSPF-UHFFFAOYSA-N 1 0 393.487 3.102 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000067377908 1409092239 /nfs/dbraw/zinc/09/22/39/1409092239.db2.gz WVXBFZLDHGPOPH-XLIONFOSSA-N 1 0 393.487 3.142 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000067479429 1409132912 /nfs/dbraw/zinc/13/29/12/1409132912.db2.gz CVOLPVHTGDAIAJ-HXUWFJFHSA-N 1 0 384.524 3.433 20 30 GGEDRO CC(C)OCC[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000176618966 1428381850 /nfs/dbraw/zinc/38/18/50/1428381850.db2.gz CUVVBBCWDDEYKP-UHFFFAOYSA-N 1 0 386.540 3.368 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000067491910 1409135017 /nfs/dbraw/zinc/13/50/17/1409135017.db2.gz XEGDLQBPRBFOOQ-HXUWFJFHSA-N 1 0 399.466 3.138 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000067491909 1409135076 /nfs/dbraw/zinc/13/50/76/1409135076.db2.gz XEGDLQBPRBFOOQ-FQEVSTJZSA-N 1 0 399.466 3.138 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc2ccc(C)nc21)C(C)C ZINC000067524685 1409144725 /nfs/dbraw/zinc/14/47/25/1409144725.db2.gz PXSDZOSPVRZXKP-FQEVSTJZSA-N 1 0 394.519 3.297 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176619514 1428381963 /nfs/dbraw/zinc/38/19/63/1428381963.db2.gz MRIIEPXBRZZMIB-UHFFFAOYSA-N 1 0 386.540 3.369 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000067554361 1409158769 /nfs/dbraw/zinc/15/87/69/1409158769.db2.gz ZERWKANBGAHYRS-QGZVFWFLSA-N 1 0 387.524 3.207 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000067596095 1409180441 /nfs/dbraw/zinc/18/04/41/1409180441.db2.gz PCVLYEDCOMIUIM-UHFFFAOYSA-N 1 0 395.503 3.300 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000067709618 1409212769 /nfs/dbraw/zinc/21/27/69/1409212769.db2.gz XQYOHSZHPDOPKN-ROUUACIJSA-N 1 0 381.520 3.088 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067837595 1409241494 /nfs/dbraw/zinc/24/14/94/1409241494.db2.gz JLCDLOBCZXMNOY-SFHVURJKSA-N 1 0 377.488 3.354 20 30 GGEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3ccc(OCC#N)cc3)cc2)CC1 ZINC000067925885 1409256964 /nfs/dbraw/zinc/25/69/64/1409256964.db2.gz VSQJNGDUNLIDCE-UHFFFAOYSA-N 1 0 392.503 3.049 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000067976288 1409267931 /nfs/dbraw/zinc/26/79/31/1409267931.db2.gz ZNNRHYBRTMCFNQ-QFIPXVFZSA-N 1 0 392.503 3.444 20 30 GGEDRO COc1ccc2[nH]cc(CC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2c1 ZINC000068310235 1409360936 /nfs/dbraw/zinc/36/09/36/1409360936.db2.gz YEYLFWGGYYQNFI-UHFFFAOYSA-N 1 0 390.487 3.181 20 30 GGEDRO COc1cccc(SCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000068501555 1409420801 /nfs/dbraw/zinc/42/08/01/1409420801.db2.gz HQFMBGSTOHKJAF-UHFFFAOYSA-N 1 0 383.517 3.249 20 30 GGEDRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000068532843 1409429954 /nfs/dbraw/zinc/42/99/54/1409429954.db2.gz RSICVICRDSEAQQ-IBGZPJMESA-N 1 0 380.467 3.158 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000068568146 1409440875 /nfs/dbraw/zinc/44/08/75/1409440875.db2.gz MGRBMZOYRNJPCG-AWEZNQCLSA-N 1 0 395.366 3.391 20 30 GGEDRO NC(=NOCc1cccc2cccnc21)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776585 1409489700 /nfs/dbraw/zinc/48/97/00/1409489700.db2.gz IDEGRXHFBHDSBP-UHFFFAOYSA-N 1 0 390.487 3.029 20 30 GGEDRO Cc1ccccc1OCCCON=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776593 1409489801 /nfs/dbraw/zinc/48/98/01/1409489801.db2.gz ZSCPBBJLMAQGQA-UHFFFAOYSA-N 1 0 397.519 3.058 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000068825185 1409501400 /nfs/dbraw/zinc/50/14/00/1409501400.db2.gz HMIAIUKIFLEXNV-QGZVFWFLSA-N 1 0 390.503 3.084 20 30 GGEDRO C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000068828850 1409503604 /nfs/dbraw/zinc/50/36/04/1409503604.db2.gz WGBMLTAYLGADKQ-MSOLQXFVSA-N 1 0 398.551 3.478 20 30 GGEDRO CCNC(=S)C(C(=O)c1ccccc1OC(F)F)[n+]1ccc(N(C)C)cc1 ZINC000068865668 1409510764 /nfs/dbraw/zinc/51/07/64/1409510764.db2.gz GDDAIZCCETXXDL-UHFFFAOYSA-O 1 0 394.467 3.190 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NC2CCOCC2)[n+]2ccc(C)cc2)cc1 ZINC000068866443 1409511166 /nfs/dbraw/zinc/51/11/66/1409511166.db2.gz VKFLYCOJNAPGNB-UHFFFAOYSA-O 1 0 399.536 3.389 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2cccnc2)c1 ZINC000068866379 1409511334 /nfs/dbraw/zinc/51/13/34/1409511334.db2.gz HIRDAWCEZULCDV-UHFFFAOYSA-O 1 0 376.505 3.449 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000068883554 1409515456 /nfs/dbraw/zinc/51/54/56/1409515456.db2.gz KKXHWOAVOJZFTN-QFIPXVFZSA-N 1 0 376.504 3.429 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CC1 ZINC000068918449 1409524069 /nfs/dbraw/zinc/52/40/69/1409524069.db2.gz PPCAALJWGNTWAL-UHFFFAOYSA-N 1 0 391.471 3.231 20 30 GGEDRO N#CCSc1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000068967008 1409535343 /nfs/dbraw/zinc/53/53/43/1409535343.db2.gz GYFLSHVJIHDMJG-UHFFFAOYSA-N 1 0 394.544 3.449 20 30 GGEDRO COCCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000068991320 1409538130 /nfs/dbraw/zinc/53/81/30/1409538130.db2.gz XUCZIFSAGUGANI-LJQANCHMSA-N 1 0 383.467 3.481 20 30 GGEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(OC)c1OC ZINC000068991471 1409538804 /nfs/dbraw/zinc/53/88/04/1409538804.db2.gz LEYZZGGLPQBXED-QGZVFWFLSA-N 1 0 399.466 3.482 20 30 GGEDRO C=C(Br)CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000069075017 1409558067 /nfs/dbraw/zinc/55/80/67/1409558067.db2.gz OZWBODXIDRTPKK-UHFFFAOYSA-N 1 0 381.318 3.167 20 30 GGEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[N@@H+](C(C)C)CC2)c1C#N ZINC000069082336 1409559875 /nfs/dbraw/zinc/55/98/75/1409559875.db2.gz WQHXWWQBAHDPMA-UHFFFAOYSA-N 1 0 385.556 3.446 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069112094 1409568670 /nfs/dbraw/zinc/56/86/70/1409568670.db2.gz DGFUXBAZPACGKF-IBGZPJMESA-N 1 0 399.514 3.006 20 30 GGEDRO C=C(Br)CNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000069117336 1409570311 /nfs/dbraw/zinc/57/03/11/1409570311.db2.gz FZPYPQIJFFXCQO-GASCZTMLSA-N 1 0 396.329 3.004 20 30 GGEDRO C=C(Br)CNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000069119561 1409571154 /nfs/dbraw/zinc/57/11/54/1409571154.db2.gz YPUBKBSLIOMSGP-INIZCTEOSA-N 1 0 382.302 3.040 20 30 GGEDRO COc1ccc(CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(OC)c1OC ZINC000069170422 1409580247 /nfs/dbraw/zinc/58/02/47/1409580247.db2.gz LEIPHKUJDNUCMC-UHFFFAOYSA-N 1 0 383.492 3.395 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(OCC#N)cc2)[NH+]2CCCC2)o1 ZINC000069309719 1409611298 /nfs/dbraw/zinc/61/12/98/1409611298.db2.gz XUMNLCCPJPERJE-LJQANCHMSA-N 1 0 382.464 3.127 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(OCC#N)cc2)[NH+]2CCCC2)o1 ZINC000069309723 1409611380 /nfs/dbraw/zinc/61/13/80/1409611380.db2.gz XUMNLCCPJPERJE-IBGZPJMESA-N 1 0 382.464 3.127 20 30 GGEDRO N#CCOc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000069314958 1409612122 /nfs/dbraw/zinc/61/21/22/1409612122.db2.gz SPUCGEAJRBCXBL-UHFFFAOYSA-N 1 0 378.476 3.006 20 30 GGEDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000069649101 1409668472 /nfs/dbraw/zinc/66/84/72/1409668472.db2.gz JLDKKUZRSXZVNI-UHFFFAOYSA-N 1 0 384.402 3.447 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069742680 1409687280 /nfs/dbraw/zinc/68/72/80/1409687280.db2.gz KLGUZIXBQFNAKL-LJQANCHMSA-N 1 0 389.499 3.410 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]CCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000069786211 1409699568 /nfs/dbraw/zinc/69/95/68/1409699568.db2.gz YINJYRCKZJWRQI-UHFFFAOYSA-N 1 0 385.533 3.131 20 30 GGEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000069828304 1409710780 /nfs/dbraw/zinc/71/07/80/1409710780.db2.gz LTFFJHVSZMZMGJ-UHFFFAOYSA-N 1 0 394.519 3.295 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069864577 1409718240 /nfs/dbraw/zinc/71/82/40/1409718240.db2.gz ADSPATJPNLXKJT-NRFANRHFSA-N 1 0 398.576 3.434 20 30 GGEDRO C=CCc1ccc(OCC(=O)Nc2ccnn2C2CC[NH+](CC)CC2)c(OC)c1 ZINC000069898807 1409722068 /nfs/dbraw/zinc/72/20/68/1409722068.db2.gz KAIZHDVKIBOZSR-UHFFFAOYSA-N 1 0 398.507 3.295 20 30 GGEDRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(C#N)c3)c2C1 ZINC000069924680 1409725631 /nfs/dbraw/zinc/72/56/31/1409725631.db2.gz AWRPEWNZBBWBDR-INIZCTEOSA-N 1 0 390.487 3.173 20 30 GGEDRO COc1ccc(C[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000070787671 1409775481 /nfs/dbraw/zinc/77/54/81/1409775481.db2.gz AQKFLMCSPCTWBF-VGOFRKELSA-N 1 0 395.503 3.338 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)Cc2ccccc2)sc2c1CCCC2 ZINC000070788172 1409776420 /nfs/dbraw/zinc/77/64/20/1409776420.db2.gz JYFWCINYSIAEHN-UHFFFAOYSA-N 1 0 383.517 3.322 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](CCO)C2CCCCC2)c1C#N ZINC000071089219 1409820570 /nfs/dbraw/zinc/82/05/70/1409820570.db2.gz NUTHETTZKUAJOQ-UHFFFAOYSA-N 1 0 398.507 3.183 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176721549 1428434143 /nfs/dbraw/zinc/43/41/43/1428434143.db2.gz KKIIEPNPKNVVNY-XLIONFOSSA-N 1 0 393.487 3.115 20 30 GGEDRO N#Cc1ccc(OCCON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000072040610 1409840331 /nfs/dbraw/zinc/84/03/31/1409840331.db2.gz MUHISBHBTDVQMM-UHFFFAOYSA-N 1 0 378.476 3.260 20 30 GGEDRO C[C@@H]1CCC[C@@H](C)N1C(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000072073201 1409845465 /nfs/dbraw/zinc/84/54/65/1409845465.db2.gz POQJNVPXAMSIFU-QZTJIDSGSA-N 1 0 386.540 3.099 20 30 GGEDRO C[C@H](C(=O)Nc1ccccc1C#N)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868708 1409854363 /nfs/dbraw/zinc/85/43/63/1409854363.db2.gz FSPGJXURIBWFTK-QUCCMNQESA-N 1 0 376.504 3.339 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000077315109 1409895334 /nfs/dbraw/zinc/89/53/34/1409895334.db2.gz BMMMELGEKYVYJA-SFTDATJTSA-N 1 0 382.552 3.499 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[NH+](CC(C)C)CC2)ccc1Cl ZINC000078276335 1409912354 /nfs/dbraw/zinc/91/23/54/1409912354.db2.gz NSHNCCWXLDUQHJ-UHFFFAOYSA-N 1 0 376.932 3.169 20 30 GGEDRO N#CCCN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000078419228 1409917456 /nfs/dbraw/zinc/91/74/56/1409917456.db2.gz GPAFTUKOGANBIJ-LJQANCHMSA-N 1 0 380.467 3.375 20 30 GGEDRO COC(=O)[C@H](NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(C#N)c1 ZINC000176745274 1428445928 /nfs/dbraw/zinc/44/59/28/1428445928.db2.gz WRUCPZKKFXKIBM-HXUWFJFHSA-N 1 0 383.517 3.336 20 30 GGEDRO COC(=O)[C@@H](NCC1CC[NH+](Cc2cccs2)CC1)c1cccc(C#N)c1 ZINC000176745289 1428445954 /nfs/dbraw/zinc/44/59/54/1428445954.db2.gz WRUCPZKKFXKIBM-FQEVSTJZSA-N 1 0 383.517 3.336 20 30 GGEDRO COC1CC[NH+](CCNC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000079803718 1409989915 /nfs/dbraw/zinc/98/99/15/1409989915.db2.gz AMCVMRCJMLIWNZ-HNNXBMFYSA-N 1 0 376.526 3.171 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000081300870 1410017330 /nfs/dbraw/zinc/01/73/30/1410017330.db2.gz VBAXZOFTFVAWGB-UHFFFAOYSA-N 1 0 376.504 3.303 20 30 GGEDRO CCOC[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000081520081 1410020441 /nfs/dbraw/zinc/02/04/41/1410020441.db2.gz PJYGNOYILYCQQW-HUUCEWRRSA-N 1 0 375.538 3.432 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)CC1 ZINC000089819971 1410056886 /nfs/dbraw/zinc/05/68/86/1410056886.db2.gz UOGWPYCFSLMVEA-UHFFFAOYSA-N 1 0 375.900 3.237 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091885932 1410088714 /nfs/dbraw/zinc/08/87/14/1410088714.db2.gz URDMWNCKSKLRIA-HXUWFJFHSA-N 1 0 384.451 3.118 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)c1 ZINC000092034399 1410099234 /nfs/dbraw/zinc/09/92/34/1410099234.db2.gz BHFMUNDUTQFVPF-UHFFFAOYSA-N 1 0 377.488 3.438 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000092048024 1410101797 /nfs/dbraw/zinc/10/17/97/1410101797.db2.gz BAHIGBMZYCMHEQ-UHFFFAOYSA-N 1 0 379.464 3.267 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092149451 1410112928 /nfs/dbraw/zinc/11/29/28/1410112928.db2.gz XALUZYCLPBZELW-KKXNLOMOSA-N 1 0 399.539 3.207 20 30 GGEDRO CC1CC[NH+](CCCNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092149561 1410113120 /nfs/dbraw/zinc/11/31/20/1410113120.db2.gz RXMJMFHFPRGQOJ-UHFFFAOYSA-N 1 0 399.539 3.064 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4c(c3)COC4)CC2)cc1 ZINC000092163334 1410115124 /nfs/dbraw/zinc/11/51/24/1410115124.db2.gz NNZWPOPECOHBMM-UHFFFAOYSA-N 1 0 376.460 3.328 20 30 GGEDRO CC(C)(C)[NH+]1CCC(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092191162 1410119733 /nfs/dbraw/zinc/11/97/33/1410119733.db2.gz PMZBNNGULNOWQD-UHFFFAOYSA-N 1 0 399.539 3.205 20 30 GGEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C[NH+]1CCCCC1 ZINC000092191372 1410119822 /nfs/dbraw/zinc/11/98/22/1410119822.db2.gz NGKCPRLALWSHSG-KKXNLOMOSA-N 1 0 399.539 3.064 20 30 GGEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C[NH+]1CCCCC1 ZINC000092191373 1410120022 /nfs/dbraw/zinc/12/00/22/1410120022.db2.gz NGKCPRLALWSHSG-QHGAOEGBSA-N 1 0 399.539 3.064 20 30 GGEDRO CC(C)[C@@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[NH+]1CCCC1 ZINC000092236006 1410125782 /nfs/dbraw/zinc/12/57/82/1410125782.db2.gz VXZAQMZIYWMRMU-SOAGJPPSSA-N 1 0 399.539 3.063 20 30 GGEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092236156 1410126220 /nfs/dbraw/zinc/12/62/20/1410126220.db2.gz QBWROMQXABIVEH-XEVCZEQESA-N 1 0 399.539 3.063 20 30 GGEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092282724 1410131744 /nfs/dbraw/zinc/13/17/44/1410131744.db2.gz KAGVMHFNXRPGIV-IOJLRTSASA-N 1 0 399.539 3.207 20 30 GGEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cc(C#N)ccc1C ZINC000176782027 1428458921 /nfs/dbraw/zinc/45/89/21/1428458921.db2.gz MPKBXIMLUGOPCP-UHFFFAOYSA-N 1 0 391.459 3.152 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000092485038 1410161367 /nfs/dbraw/zinc/16/13/67/1410161367.db2.gz QPOGNRKGUKBXRK-UHFFFAOYSA-N 1 0 382.533 3.492 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000092535073 1410168833 /nfs/dbraw/zinc/16/88/33/1410168833.db2.gz YJGWEYRJNYJCCN-GOSISDBHSA-N 1 0 395.478 3.394 20 30 GGEDRO C=CCc1cc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc(OC)c1O ZINC000092665054 1410185261 /nfs/dbraw/zinc/18/52/61/1410185261.db2.gz XOLWQQAVDHNNTL-OALUTQOASA-N 1 0 387.568 3.120 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1OCCCC#N ZINC000092706518 1410191346 /nfs/dbraw/zinc/19/13/46/1410191346.db2.gz LKRIFZQNDQDQRS-LJQANCHMSA-N 1 0 387.524 3.362 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1OCCCC#N ZINC000092706517 1410191617 /nfs/dbraw/zinc/19/16/17/1410191617.db2.gz LKRIFZQNDQDQRS-IBGZPJMESA-N 1 0 387.524 3.362 20 30 GGEDRO COCCOc1ccccc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092854032 1410205203 /nfs/dbraw/zinc/20/52/03/1410205203.db2.gz YHUZCQNCTLLTIV-UHFFFAOYSA-N 1 0 381.476 3.458 20 30 GGEDRO Cn1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(-c2cccnc2)n1 ZINC000092854271 1410206239 /nfs/dbraw/zinc/20/62/39/1410206239.db2.gz CZLDSPSMFCLXDG-UHFFFAOYSA-N 1 0 388.475 3.229 20 30 GGEDRO N#CCCn1cc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c(-c2ccccc2)n1 ZINC000093277478 1410228406 /nfs/dbraw/zinc/22/84/06/1410228406.db2.gz OOSFUZCLQSUHQU-FQEVSTJZSA-N 1 0 377.492 3.051 20 30 GGEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c(-c2ccccc2)n1 ZINC000093277480 1410229032 /nfs/dbraw/zinc/22/90/32/1410229032.db2.gz OOSFUZCLQSUHQU-HXUWFJFHSA-N 1 0 377.492 3.051 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1 ZINC000093335881 1410235750 /nfs/dbraw/zinc/23/57/50/1410235750.db2.gz HCQSEVRBEWMITB-UHFFFAOYSA-N 1 0 392.532 3.363 20 30 GGEDRO C=C(C)COc1cc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)ccc1OC ZINC000093455122 1410246878 /nfs/dbraw/zinc/24/68/78/1410246878.db2.gz KDRXBYABFOSFFY-NRFANRHFSA-N 1 0 385.508 3.329 20 30 GGEDRO C=C(C)COc1cc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)ccc1OC ZINC000093455123 1410247095 /nfs/dbraw/zinc/24/70/95/1410247095.db2.gz KDRXBYABFOSFFY-OAQYLSRUSA-N 1 0 385.508 3.329 20 30 GGEDRO COCCCOC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000093561301 1410253901 /nfs/dbraw/zinc/25/39/01/1410253901.db2.gz DKOCYYCJTAOQAS-UHFFFAOYSA-N 1 0 382.508 3.481 20 30 GGEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000093613290 1410256062 /nfs/dbraw/zinc/25/60/62/1410256062.db2.gz ADLGHRFKRUWGAF-SFTDATJTSA-N 1 0 394.519 3.216 20 30 GGEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000093614247 1410256284 /nfs/dbraw/zinc/25/62/84/1410256284.db2.gz JQQBZWULRXVJNG-NHCUHLMSSA-N 1 0 388.508 3.130 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000093665257 1410258436 /nfs/dbraw/zinc/25/84/36/1410258436.db2.gz ZFMWRMYCGVWDGB-OAQYLSRUSA-N 1 0 391.515 3.291 20 30 GGEDRO N#CCCn1cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(-c2ccccc2)n1 ZINC000093741486 1410263115 /nfs/dbraw/zinc/26/31/15/1410263115.db2.gz DLGIOBHSIXFAKD-UHFFFAOYSA-N 1 0 391.519 3.441 20 30 GGEDRO N#Cc1cccc(COc2cccc(CN3CC[NH+](C[C@H]4CCOC4)CC3)c2)c1 ZINC000093817892 1410271062 /nfs/dbraw/zinc/27/10/62/1410271062.db2.gz NVOUPIJBZVBSME-HSZRJFAPSA-N 1 0 391.515 3.291 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000094033649 1410296046 /nfs/dbraw/zinc/29/60/46/1410296046.db2.gz JQVXOZVXLHXYHT-UHFFFAOYSA-N 1 0 379.545 3.227 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000097207636 1410358077 /nfs/dbraw/zinc/35/80/77/1410358077.db2.gz QLKRZFJCXLVGSF-KRWDZBQOSA-N 1 0 392.503 3.495 20 30 GGEDRO C[C@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(=O)N1CCCCCC1 ZINC000097571473 1410378641 /nfs/dbraw/zinc/37/86/41/1410378641.db2.gz BBOOBEOYHFNVLA-SFHVURJKSA-N 1 0 386.540 3.101 20 30 GGEDRO Cc1c(Cl)cccc1OCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000097589584 1410381178 /nfs/dbraw/zinc/38/11/78/1410381178.db2.gz FBXMGAHYEUKCTH-UHFFFAOYSA-N 1 0 385.895 3.489 20 30 GGEDRO CCc1cccc(C)c1NC(=O)CO/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000097604618 1410385027 /nfs/dbraw/zinc/38/50/27/1410385027.db2.gz PURXCQFISDNTAI-HZHRSRAPSA-N 1 0 381.476 3.383 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)CC1 ZINC000098094041 1410412250 /nfs/dbraw/zinc/41/22/50/1410412250.db2.gz VLGRQUHAKQOZLM-UHFFFAOYSA-N 1 0 377.488 3.137 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100311130 1410437653 /nfs/dbraw/zinc/43/76/53/1410437653.db2.gz BHZWKGFRSPJDSA-UHFFFAOYSA-N 1 0 385.508 3.012 20 30 GGEDRO CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NCC(F)(F)F)cc1 ZINC000101535139 1410453032 /nfs/dbraw/zinc/45/30/32/1410453032.db2.gz UJAGURFMWAELNO-UHFFFAOYSA-O 1 0 382.431 3.131 20 30 GGEDRO Cc1ccc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2cccc(CO)c2)cc1C ZINC000101535158 1410453133 /nfs/dbraw/zinc/45/31/33/1410453133.db2.gz YAZBESCOANPWFR-UHFFFAOYSA-O 1 0 397.442 3.174 20 30 GGEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NCC(F)(F)F)[n+]1ccccc1 ZINC000101535151 1410453400 /nfs/dbraw/zinc/45/34/00/1410453400.db2.gz QWASPQRBJQRBOE-UHFFFAOYSA-O 1 0 375.342 3.343 20 30 GGEDRO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(C#N)cc1 ZINC000101544249 1410457240 /nfs/dbraw/zinc/45/72/40/1410457240.db2.gz VDAKNGNVQNEBNA-UHFFFAOYSA-N 1 0 394.544 3.178 20 30 GGEDRO COc1ccc(CCC(=O)N2CCCN(Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000101554174 1410461145 /nfs/dbraw/zinc/46/11/45/1410461145.db2.gz UVNFQJJBKJCEAE-UHFFFAOYSA-N 1 0 395.478 3.373 20 30 GGEDRO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566690 1410466946 /nfs/dbraw/zinc/46/69/46/1410466946.db2.gz QMGDILIULKTGIT-QHCPKHFHSA-N 1 0 398.551 3.058 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cnn(C)c1 ZINC000101730607 1410495641 /nfs/dbraw/zinc/49/56/41/1410495641.db2.gz JEIZILDHWYNWCZ-UHFFFAOYSA-N 1 0 385.537 3.473 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1cccc(C#N)c1 ZINC000101784748 1410502240 /nfs/dbraw/zinc/50/22/40/1410502240.db2.gz NAWXFQWJURTNIN-NRFANRHFSA-N 1 0 377.492 3.149 20 30 GGEDRO CCn1cc(NC(=S)C(C(=O)c2ccc(C)cc2)[n+]2cccc(CO)c2)cn1 ZINC000101900493 1410515286 /nfs/dbraw/zinc/51/52/86/1410515286.db2.gz ZQNSBHYVYRJIPB-UHFFFAOYSA-O 1 0 395.508 3.042 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC000101909787 1410518598 /nfs/dbraw/zinc/51/85/98/1410518598.db2.gz JVQXZYFSOOCHQB-WOJBJXKFSA-N 1 0 398.551 3.114 20 30 GGEDRO N#Cc1ccc(OCCC[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000101920540 1410524805 /nfs/dbraw/zinc/52/48/05/1410524805.db2.gz GPILJPMAFBILLY-LJQANCHMSA-N 1 0 382.439 3.362 20 30 GGEDRO C#Cc1cccc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000102044293 1410549898 /nfs/dbraw/zinc/54/98/98/1410549898.db2.gz VUWMWKSHCICVRQ-MRXNPFEDSA-N 1 0 380.467 3.442 20 30 GGEDRO CCC[N@@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000102388689 1410617725 /nfs/dbraw/zinc/61/77/25/1410617725.db2.gz RYJILRWIYXAPMS-UHFFFAOYSA-N 1 0 376.460 3.192 20 30 GGEDRO CCC[N@@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000102388693 1410617908 /nfs/dbraw/zinc/61/79/08/1410617908.db2.gz VURPFUHGIYRNIV-UHFFFAOYSA-N 1 0 376.460 3.192 20 30 GGEDRO Cc1cccc([C@H]2CCC[N@@H+]2CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000102390962 1410618827 /nfs/dbraw/zinc/61/88/27/1410618827.db2.gz JDRLVRALJQHOPB-OAQYLSRUSA-N 1 0 388.471 3.426 20 30 GGEDRO C[N@H+](CCCCc1ccccc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000102390592 1410619360 /nfs/dbraw/zinc/61/93/60/1410619360.db2.gz NHYDAGWPSYKJMC-UHFFFAOYSA-N 1 0 390.487 3.235 20 30 GGEDRO N#Cc1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000176847862 1428499538 /nfs/dbraw/zinc/49/95/38/1428499538.db2.gz AOMJJFCSLKKXMO-UHFFFAOYSA-N 1 0 377.488 3.359 20 30 GGEDRO CCc1nc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000102458942 1410635124 /nfs/dbraw/zinc/63/51/24/1410635124.db2.gz VVCRSLYCZZKQEF-UHFFFAOYSA-N 1 0 397.548 3.037 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000102774672 1410741062 /nfs/dbraw/zinc/74/10/62/1410741062.db2.gz QAQHBYHDJPCISQ-UHFFFAOYSA-N 1 0 380.492 3.022 20 30 GGEDRO COCCC[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)c2C1 ZINC000102779302 1410746504 /nfs/dbraw/zinc/74/65/04/1410746504.db2.gz JHQDXXUHSFVSLD-INIZCTEOSA-N 1 0 378.476 3.349 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)cc1OCCCC#N ZINC000102939317 1410810336 /nfs/dbraw/zinc/81/03/36/1410810336.db2.gz DBWIFGJBAFLVMS-SFHVURJKSA-N 1 0 382.460 3.480 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cnn(-c4ccc(F)cc4)c3)CC2)nc1 ZINC000102939204 1410810356 /nfs/dbraw/zinc/81/03/56/1410810356.db2.gz RBYRZONBOHVOGM-UHFFFAOYSA-N 1 0 376.439 3.037 20 30 GGEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 ZINC000103002174 1410818782 /nfs/dbraw/zinc/81/87/82/1410818782.db2.gz YGYKUOSQNTZEAE-UHFFFAOYSA-N 1 0 382.489 3.179 20 30 GGEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000176910729 1428518690 /nfs/dbraw/zinc/51/86/90/1428518690.db2.gz XPFJTZCNJKYDKG-HXUWFJFHSA-N 1 0 382.508 3.052 20 30 GGEDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000103853877 1410877406 /nfs/dbraw/zinc/87/74/06/1410877406.db2.gz ODOHRXHCQLTDLN-UHFFFAOYSA-N 1 0 392.503 3.373 20 30 GGEDRO CC(C)C[NH+]1CCC(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000103858040 1410877580 /nfs/dbraw/zinc/87/75/80/1410877580.db2.gz VGUDFIQGIBCSII-UHFFFAOYSA-N 1 0 384.524 3.231 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000103859471 1410877675 /nfs/dbraw/zinc/87/76/75/1410877675.db2.gz LOVJYAKFYAJFHP-KDURUIRLSA-N 1 0 398.551 3.479 20 30 GGEDRO NC(=NOCc1ccc(F)cc1Cl)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000104054348 1410883211 /nfs/dbraw/zinc/88/32/11/1410883211.db2.gz HVYAHAHVGZKIQN-UHFFFAOYSA-N 1 0 391.874 3.273 20 30 GGEDRO CCNC(=O)COc1ccc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)cc1OC ZINC000104163219 1410885897 /nfs/dbraw/zinc/88/58/97/1410885897.db2.gz XNHNMXFBACCIHF-UHFFFAOYSA-N 1 0 398.507 3.260 20 30 GGEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000104159007 1410885923 /nfs/dbraw/zinc/88/59/23/1410885923.db2.gz DEFMMNIYLGGKLZ-HOTGVXAUSA-N 1 0 392.544 3.098 20 30 GGEDRO Cc1ccc(C(=O)NCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1F ZINC000104161411 1410885970 /nfs/dbraw/zinc/88/59/70/1410885970.db2.gz BJIDUUGZVSOATO-UHFFFAOYSA-N 1 0 398.360 3.189 20 30 GGEDRO CCN(CC)C(=O)c1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)cc1 ZINC000104163295 1410886000 /nfs/dbraw/zinc/88/60/00/1410886000.db2.gz GNIZSCFTNNTIQM-UHFFFAOYSA-N 1 0 396.491 3.257 20 30 GGEDRO CCNC(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000104163316 1410886027 /nfs/dbraw/zinc/88/60/27/1410886027.db2.gz PSUCYGUUAZCIFR-UHFFFAOYSA-N 1 0 380.370 3.262 20 30 GGEDRO COc1ccc(OC)c(NC(=[NH2+])NCC2(c3ccccc3C)CCOCC2)c1 ZINC000104179316 1410886337 /nfs/dbraw/zinc/88/63/37/1410886337.db2.gz OHIRRBUWKAQEDY-UHFFFAOYSA-N 1 0 383.492 3.487 20 30 GGEDRO Cc1ccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000104173128 1410886358 /nfs/dbraw/zinc/88/63/58/1410886358.db2.gz YDOKIKHRIVLDAR-UHFFFAOYSA-N 1 0 386.521 3.096 20 30 GGEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H](O)COC2CCOCC2)cc1 ZINC000176920969 1428521059 /nfs/dbraw/zinc/52/10/59/1428521059.db2.gz GYPFGZBLOJHYOP-JOCHJYFZSA-N 1 0 398.478 3.256 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000104326770 1410892225 /nfs/dbraw/zinc/89/22/25/1410892225.db2.gz MYWQBOJXSGJIJH-UHFFFAOYSA-N 1 0 378.476 3.246 20 30 GGEDRO C[C@H](O)C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCCCC1 ZINC000104683876 1410929333 /nfs/dbraw/zinc/92/93/33/1410929333.db2.gz YXOGUKJQAHYOHT-MAUKXSAKSA-N 1 0 378.476 3.239 20 30 GGEDRO CCOc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104716264 1410939743 /nfs/dbraw/zinc/93/97/43/1410939743.db2.gz CREDYEIGELARFO-LJQANCHMSA-N 1 0 396.487 3.240 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000104715943 1410940682 /nfs/dbraw/zinc/94/06/82/1410940682.db2.gz PTVITULIEGJTNE-UHFFFAOYSA-N 1 0 394.431 3.338 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715438 1410940791 /nfs/dbraw/zinc/94/07/91/1410940791.db2.gz PZKRGHGKIYCPHP-UHFFFAOYSA-N 1 0 380.473 3.363 20 30 GGEDRO CC[NH+](CC)[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000104895347 1410992041 /nfs/dbraw/zinc/99/20/41/1410992041.db2.gz NJMFJZQYGHFMTE-JOCHJYFZSA-N 1 0 391.519 3.121 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000105024737 1411017185 /nfs/dbraw/zinc/01/71/85/1411017185.db2.gz GMGKRJJLNVPVGY-UHFFFAOYSA-N 1 0 391.519 3.148 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccs1 ZINC000105062922 1411024272 /nfs/dbraw/zinc/02/42/72/1411024272.db2.gz UUNNDCXSICEKCU-IBGZPJMESA-N 1 0 398.532 3.475 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000105075115 1411024790 /nfs/dbraw/zinc/02/47/90/1411024790.db2.gz IGBLLCZBVAEVBG-QFIPXVFZSA-N 1 0 392.503 3.414 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000105075119 1411025198 /nfs/dbraw/zinc/02/51/98/1411025198.db2.gz IGBLLCZBVAEVBG-JOCHJYFZSA-N 1 0 392.503 3.414 20 30 GGEDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]Cc1ccc(C#N)s1)CC2 ZINC000176966089 1428533214 /nfs/dbraw/zinc/53/32/14/1428533214.db2.gz QUVXWLITWGLZRW-UHFFFAOYSA-N 1 0 399.516 3.092 20 30 GGEDRO C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000105126876 1411032533 /nfs/dbraw/zinc/03/25/33/1411032533.db2.gz OKYGSGQDQQLMTD-MSOLQXFVSA-N 1 0 384.524 3.231 20 30 GGEDRO C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C[NH+]1CCCCC1 ZINC000105167295 1411037669 /nfs/dbraw/zinc/03/76/69/1411037669.db2.gz XLEYIRYBTZXTEV-GOSISDBHSA-N 1 0 384.524 3.233 20 30 GGEDRO CCCC[NH+]1CCC(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000105216925 1411043114 /nfs/dbraw/zinc/04/31/14/1411043114.db2.gz IOMNPWSWFKQWHI-UHFFFAOYSA-N 1 0 384.524 3.376 20 30 GGEDRO CC(=O)Nc1ccc(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000176968129 1428534276 /nfs/dbraw/zinc/53/42/76/1428534276.db2.gz WVZHPRYWHMFZAY-UHFFFAOYSA-N 1 0 394.397 3.191 20 30 GGEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000176971965 1428535297 /nfs/dbraw/zinc/53/52/97/1428535297.db2.gz FNQMPNUJWMJLRW-HOTGVXAUSA-N 1 0 388.487 3.441 20 30 GGEDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)cc1OC ZINC000176972051 1428535594 /nfs/dbraw/zinc/53/55/94/1428535594.db2.gz UWRKCFJUHDYYJW-UHFFFAOYSA-N 1 0 385.489 3.031 20 30 GGEDRO CCNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(C(C)(C)C)cc1 ZINC000105391679 1411062041 /nfs/dbraw/zinc/06/20/41/1411062041.db2.gz JLYKKQQWXBSVOT-UHFFFAOYSA-O 1 0 389.497 3.200 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(CC)cc1 ZINC000105391789 1411062089 /nfs/dbraw/zinc/06/20/89/1411062089.db2.gz MYVQHXUPTJDOJF-UHFFFAOYSA-O 1 0 389.497 3.245 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)N[C@@H](C)CC)cc1 ZINC000105391834 1411062387 /nfs/dbraw/zinc/06/23/87/1411062387.db2.gz LLVIILYBCSBURI-ZDUSSCGKSA-O 1 0 389.497 3.243 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000105404123 1411063058 /nfs/dbraw/zinc/06/30/58/1411063058.db2.gz NNMWJXGQYSCVFN-AAEUAGOBSA-N 1 0 390.484 3.309 20 30 GGEDRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H](C)N1CCOCC1 ZINC000105501368 1411073510 /nfs/dbraw/zinc/07/35/10/1411073510.db2.gz YLJCDCAVJDXLJC-OALUTQOASA-N 1 0 379.504 3.336 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC000106035955 1411154521 /nfs/dbraw/zinc/15/45/21/1411154521.db2.gz PNHLZQJKZNENNY-HXUWFJFHSA-N 1 0 397.563 3.312 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)CC1 ZINC000106035396 1411155160 /nfs/dbraw/zinc/15/51/60/1411155160.db2.gz UNQIJHLMZRRTGS-PGRDOPGGSA-N 1 0 397.563 3.143 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000106036253 1411155191 /nfs/dbraw/zinc/15/51/91/1411155191.db2.gz MMWALWAXMYNDTQ-CYBMUJFWSA-N 1 0 398.334 3.268 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)CC1 ZINC000106039320 1411155670 /nfs/dbraw/zinc/15/56/70/1411155670.db2.gz ADTWSQYPVHIHQS-LJQANCHMSA-N 1 0 391.943 3.251 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000106037571 1411155738 /nfs/dbraw/zinc/15/57/38/1411155738.db2.gz JLHWPPQZEKMMLM-UHFFFAOYSA-N 1 0 389.499 3.311 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000106037307 1411155817 /nfs/dbraw/zinc/15/58/17/1411155817.db2.gz WRBJTTOXNCCXDZ-KRWDZBQOSA-N 1 0 385.552 3.259 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)CC1 ZINC000106038072 1411155863 /nfs/dbraw/zinc/15/58/63/1411155863.db2.gz WVEGOFWNNSSALV-IBGZPJMESA-N 1 0 391.515 3.349 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000106038840 1411156063 /nfs/dbraw/zinc/15/60/63/1411156063.db2.gz FBBKCZMHFNAARO-SFHVURJKSA-N 1 0 384.524 3.087 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)CC1 ZINC000106039120 1411156147 /nfs/dbraw/zinc/15/61/47/1411156147.db2.gz VMLXRBFHAGHXFC-IBGZPJMESA-N 1 0 377.916 3.064 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)CC1 ZINC000106036473 1411156544 /nfs/dbraw/zinc/15/65/44/1411156544.db2.gz XFPHHDAAZSGVPQ-UHFFFAOYSA-N 1 0 382.483 3.270 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000106040029 1411157289 /nfs/dbraw/zinc/15/72/89/1411157289.db2.gz ZUGRBJUEWCYZKQ-FNORWQNLSA-N 1 0 380.435 3.467 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)CC1 ZINC000106039381 1411157597 /nfs/dbraw/zinc/15/75/97/1411157597.db2.gz FREYEMJEJRDEKF-NRFANRHFSA-N 1 0 385.552 3.296 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000106040650 1411157620 /nfs/dbraw/zinc/15/76/20/1411157620.db2.gz JDRUDOOGLWTAJW-CMDGGOBGSA-N 1 0 395.547 3.095 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176992595 1428544504 /nfs/dbraw/zinc/54/45/04/1428544504.db2.gz FFFQDXBVCHOFDQ-SJORKVTESA-N 1 0 388.537 3.267 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000106264597 1411185396 /nfs/dbraw/zinc/18/53/96/1411185396.db2.gz BYNZBCHCYUVXOG-UHFFFAOYSA-N 1 0 387.528 3.056 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)NCCCCCC)C2)CC1 ZINC000106275680 1411189294 /nfs/dbraw/zinc/18/92/94/1411189294.db2.gz IDDMSIFRGDLQPZ-LJQANCHMSA-N 1 0 392.588 3.145 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000106276114 1411190046 /nfs/dbraw/zinc/19/00/46/1411190046.db2.gz LMBXDANEAUYMKA-UHFFFAOYSA-N 1 0 390.959 3.208 20 30 GGEDRO C=CCc1cc(CNC(=O)NC2CC[NH+](CC(=C)C)CC2)cc(OC)c1OC ZINC000106275696 1411190087 /nfs/dbraw/zinc/19/00/87/1411190087.db2.gz DFBQUYJLIQJWIG-UHFFFAOYSA-N 1 0 387.524 3.272 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000106291013 1411191014 /nfs/dbraw/zinc/19/10/14/1411191014.db2.gz HFVHAIIWANBBHW-UHFFFAOYSA-N 1 0 379.504 3.116 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000106322236 1411195011 /nfs/dbraw/zinc/19/50/11/1411195011.db2.gz NOVYGYSXUBYFOC-UHFFFAOYSA-N 1 0 384.524 3.475 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000106329621 1411195797 /nfs/dbraw/zinc/19/57/97/1411195797.db2.gz CQMQZLUZTKYVLE-UHFFFAOYSA-N 1 0 395.551 3.388 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000106341202 1411198107 /nfs/dbraw/zinc/19/81/07/1411198107.db2.gz MTVSTGQTBLWVNA-SFHVURJKSA-N 1 0 377.554 3.479 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000106341297 1411198561 /nfs/dbraw/zinc/19/85/61/1411198561.db2.gz OWSYOHQFVFITCQ-FQEVSTJZSA-N 1 0 387.524 3.123 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000106341228 1411198718 /nfs/dbraw/zinc/19/87/18/1411198718.db2.gz BJYBWORRRQQDOV-LJQANCHMSA-N 1 0 385.508 3.345 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000106349509 1411201064 /nfs/dbraw/zinc/20/10/64/1411201064.db2.gz PFOZCEQRTYPCGO-UHFFFAOYSA-N 1 0 377.488 3.449 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2OCCC)CC1 ZINC000106349129 1411201494 /nfs/dbraw/zinc/20/14/94/1411201494.db2.gz SSMLARMGAVMSNX-UHFFFAOYSA-N 1 0 393.915 3.224 20 30 GGEDRO CCc1oc(C(=O)OC)cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000176998797 1428547395 /nfs/dbraw/zinc/54/73/95/1428547395.db2.gz MVQFHAQWXGMHRG-UHFFFAOYSA-N 1 0 381.476 3.208 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1Cl ZINC000177003473 1428549332 /nfs/dbraw/zinc/54/93/32/1428549332.db2.gz GSLGRWDFCWCKAT-UHFFFAOYSA-N 1 0 388.899 3.063 20 30 GGEDRO C=CCc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc(OC)c1OC ZINC000106551041 1411243220 /nfs/dbraw/zinc/24/32/20/1411243220.db2.gz BYAUDZDJHOWGPQ-GOSISDBHSA-N 1 0 387.524 3.248 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177007108 1428551606 /nfs/dbraw/zinc/55/16/06/1428551606.db2.gz ZZYLAYKEFQZYOL-UHFFFAOYSA-N 1 0 385.508 3.103 20 30 GGEDRO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)o2)cc1 ZINC000106787737 1411301966 /nfs/dbraw/zinc/30/19/66/1411301966.db2.gz MHDZVZHFKHLKJH-QGZVFWFLSA-N 1 0 379.460 3.477 20 30 GGEDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106865587 1411311772 /nfs/dbraw/zinc/31/17/72/1411311772.db2.gz ZXMZRIGRAGWFTJ-RHSMWYFYSA-N 1 0 375.538 3.453 20 30 GGEDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000106869475 1411313306 /nfs/dbraw/zinc/31/33/06/1411313306.db2.gz OWFHHTKDZHHHCI-OAHLLOKOSA-N 1 0 392.887 3.139 20 30 GGEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000106943288 1411324059 /nfs/dbraw/zinc/32/40/59/1411324059.db2.gz HUEGBGREVKYXSA-KRWDZBQOSA-N 1 0 393.491 3.108 20 30 GGEDRO Cc1ccc(-n2nc(C(=O)N(CCC#N)CCC[NH+](C)C)c3c2CCC3)c(F)c1 ZINC000107230733 1411354195 /nfs/dbraw/zinc/35/41/95/1411354195.db2.gz MBEIIUGNBIJCEQ-UHFFFAOYSA-N 1 0 397.498 3.116 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2C#N)C(C)C)cc1 ZINC000107307586 1411359065 /nfs/dbraw/zinc/35/90/65/1411359065.db2.gz QSEFBXKLKVVYCL-OAQYLSRUSA-N 1 0 381.476 3.167 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C#N)cc2F)C(C)C)cc1 ZINC000107307556 1411359284 /nfs/dbraw/zinc/35/92/84/1411359284.db2.gz XJNNNNBKPOICJP-HXUWFJFHSA-N 1 0 399.466 3.306 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2cc(C#N)ccc2F)C(C)C)cc1 ZINC000107307614 1411359832 /nfs/dbraw/zinc/35/98/32/1411359832.db2.gz VLXRVDZCNLNNOT-FQEVSTJZSA-N 1 0 399.466 3.306 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1Cl ZINC000107537478 1411386006 /nfs/dbraw/zinc/38/60/06/1411386006.db2.gz YSJGAVIBWRGTJS-LJQANCHMSA-N 1 0 389.908 3.327 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1Cl ZINC000108393470 1411488332 /nfs/dbraw/zinc/48/83/32/1411488332.db2.gz DILFWHNAICFIOW-UHFFFAOYSA-N 1 0 389.908 3.286 20 30 GGEDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]Cc1ccc(C#N)cc1)CC2 ZINC000108421637 1411497963 /nfs/dbraw/zinc/49/79/63/1411497963.db2.gz JGSVIZYFQUNFST-UHFFFAOYSA-N 1 0 393.487 3.030 20 30 GGEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000108468660 1411512615 /nfs/dbraw/zinc/51/26/15/1411512615.db2.gz PYFQNOXIEUEUMF-IRLDBZIGSA-N 1 0 379.504 3.251 20 30 GGEDRO C#CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000108520447 1411528928 /nfs/dbraw/zinc/52/89/28/1411528928.db2.gz GTCVROVKZDYGOF-UHFFFAOYSA-N 1 0 376.460 3.166 20 30 GGEDRO C#CCOc1ccc(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000108523817 1411529725 /nfs/dbraw/zinc/52/97/25/1411529725.db2.gz XJJAMFPOCACIRU-UHFFFAOYSA-N 1 0 381.476 3.351 20 30 GGEDRO N#CCCSc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000108604757 1411548422 /nfs/dbraw/zinc/54/84/22/1411548422.db2.gz XWTWVSFMAJUQLT-UHFFFAOYSA-N 1 0 388.537 3.013 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177075124 1428578677 /nfs/dbraw/zinc/57/86/77/1428578677.db2.gz ARTWYGMSEKQNSG-ZIFCJYIRSA-N 1 0 386.565 3.311 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000108933437 1411643068 /nfs/dbraw/zinc/64/30/68/1411643068.db2.gz UJDLJLPGDLJASB-UHFFFAOYSA-N 1 0 376.500 3.270 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(n3cccn3)CC2)c1 ZINC000109007100 1411659178 /nfs/dbraw/zinc/65/91/78/1411659178.db2.gz QWQKBKNTRYLDSF-LJQANCHMSA-N 1 0 379.508 3.472 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000109029462 1411665264 /nfs/dbraw/zinc/66/52/64/1411665264.db2.gz PDTFEBXKKTYFCM-OAHLLOKOSA-N 1 0 376.526 3.313 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)ncn2)ccc1OC ZINC000109069930 1411674921 /nfs/dbraw/zinc/67/49/21/1411674921.db2.gz HZKGTVNPOVQXIO-SFHVURJKSA-N 1 0 397.523 3.240 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C[N@@H+]1C1CC1 ZINC000177100062 1428588067 /nfs/dbraw/zinc/58/80/67/1428588067.db2.gz FXJOOQHVEJOPEA-OXJNMPFZSA-N 1 0 375.472 3.492 20 30 GGEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)Cc3cccc(C#N)c3)cc2)CC1 ZINC000109198017 1411710799 /nfs/dbraw/zinc/71/07/99/1411710799.db2.gz VJLOJHXBHFCXAP-UHFFFAOYSA-N 1 0 376.504 3.361 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1[N+](=O)[O-] ZINC000109351947 1411746491 /nfs/dbraw/zinc/74/64/91/1411746491.db2.gz XVDRMDFYFGUBEY-MRXNPFEDSA-N 1 0 384.411 3.373 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109404723 1411755816 /nfs/dbraw/zinc/75/58/16/1411755816.db2.gz PYYFMKBHUUVNSI-NRFANRHFSA-N 1 0 381.476 3.167 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000109854574 1411814665 /nfs/dbraw/zinc/81/46/65/1411814665.db2.gz BPNABOINNUHWOW-LJQANCHMSA-N 1 0 393.487 3.201 20 30 GGEDRO COc1cccc(NC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000110036817 1411826797 /nfs/dbraw/zinc/82/67/97/1411826797.db2.gz MDXNCJBIEFVPER-UHFFFAOYSA-N 1 0 378.476 3.472 20 30 GGEDRO NC(=NOCC(=O)NCCC1=CCCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000110181276 1411835754 /nfs/dbraw/zinc/83/57/54/1411835754.db2.gz GTQGBFBBHDPAHM-UHFFFAOYSA-N 1 0 398.551 3.316 20 30 GGEDRO C#CCN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCCC1 ZINC000110185248 1411836067 /nfs/dbraw/zinc/83/60/67/1411836067.db2.gz DWLQOJVXCPJGFJ-UHFFFAOYSA-N 1 0 385.577 3.442 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1ccc(OCC#N)cc1 ZINC000110188555 1411836219 /nfs/dbraw/zinc/83/62/19/1411836219.db2.gz IGGHEFHEULWYGP-IRLDBZIGSA-N 1 0 375.472 3.274 20 30 GGEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000110191330 1411836544 /nfs/dbraw/zinc/83/65/44/1411836544.db2.gz PAZSXTRGFHXLMA-UHFFFAOYSA-N 1 0 381.476 3.491 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[N@@H+]1C1CC1 ZINC000177138436 1428600008 /nfs/dbraw/zinc/60/00/08/1428600008.db2.gz MRPCVSNNBBDUDQ-OXQOHEQNSA-N 1 0 375.472 3.492 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[N@@H+]1C1CC1 ZINC000177138451 1428600055 /nfs/dbraw/zinc/60/00/55/1428600055.db2.gz MRPCVSNNBBDUDQ-OXJNMPFZSA-N 1 0 375.472 3.492 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)CC1 ZINC000110274127 1411842008 /nfs/dbraw/zinc/84/20/08/1411842008.db2.gz FSZXUAQPTUAUJJ-UHFFFAOYSA-N 1 0 380.536 3.171 20 30 GGEDRO NC(=NOCC(=O)NCCC1=CCCCC1)c1ccccc1C[NH+]1CCCCC1 ZINC000110460375 1411851441 /nfs/dbraw/zinc/85/14/41/1411851441.db2.gz BKDVNKWNNBNMEO-UHFFFAOYSA-N 1 0 398.551 3.316 20 30 GGEDRO Cc1ccc(NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000110460378 1411851491 /nfs/dbraw/zinc/85/14/91/1411851491.db2.gz PZNYTOADNFDHNV-UHFFFAOYSA-N 1 0 380.492 3.257 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)[NH+]1CCCC1 ZINC000110605866 1411859726 /nfs/dbraw/zinc/85/97/26/1411859726.db2.gz PWWJONDEFDDJAW-NRFANRHFSA-N 1 0 393.487 3.093 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110635322 1411861695 /nfs/dbraw/zinc/86/16/95/1411861695.db2.gz WLMSPSZALYBSEL-UHFFFAOYSA-N 1 0 377.488 3.221 20 30 GGEDRO C[C@H](CN1CCOCC1)[N@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000111054817 1411884634 /nfs/dbraw/zinc/88/46/34/1411884634.db2.gz RGZGXIFKYIHEIE-HXUWFJFHSA-N 1 0 379.504 3.160 20 30 GGEDRO C[C@@H](CN1CCOCC1)[N@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000111054399 1411884702 /nfs/dbraw/zinc/88/47/02/1411884702.db2.gz DSNKZRFKPUZLRC-FQEVSTJZSA-N 1 0 379.504 3.160 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(N)=O)cc1)[n+]1ccc(CC)cc1 ZINC000111163103 1411892545 /nfs/dbraw/zinc/89/25/45/1411892545.db2.gz QNYYDQIBYXNJOB-UHFFFAOYSA-O 1 0 397.524 3.132 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(NC(N)=O)cc2)C(=S)N[C@@H](C)CC)cc1 ZINC000111163164 1411892593 /nfs/dbraw/zinc/89/25/93/1411892593.db2.gz WCESBWLJQABMQE-AWEZNQCLSA-O 1 0 399.540 3.354 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc(NC(N)=O)cc2)C(=S)NC(C)(C)C)c1 ZINC000111163156 1411892606 /nfs/dbraw/zinc/89/26/06/1411892606.db2.gz DQWIMWALBYZECQ-UHFFFAOYSA-O 1 0 385.513 3.100 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000111243506 1411897697 /nfs/dbraw/zinc/89/76/97/1411897697.db2.gz JCANANWSTMKVSV-IBGZPJMESA-N 1 0 379.508 3.472 20 30 GGEDRO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000111257568 1411898022 /nfs/dbraw/zinc/89/80/22/1411898022.db2.gz IFSQOLNNACLVGL-INIZCTEOSA-N 1 0 381.476 3.435 20 30 GGEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCC1 ZINC000111295979 1411903393 /nfs/dbraw/zinc/90/33/93/1411903393.db2.gz INCUXBRSUWVGOT-QGZVFWFLSA-N 1 0 384.524 3.088 20 30 GGEDRO N#Cc1ccccc1N1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000111518689 1411985670 /nfs/dbraw/zinc/98/56/70/1411985670.db2.gz QRKJJUPSTAOLSL-UHFFFAOYSA-N 1 0 383.540 3.046 20 30 GGEDRO COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000177174334 1428613696 /nfs/dbraw/zinc/61/36/96/1428613696.db2.gz RNDDJLCIVSMTCX-IRLDBZIGSA-N 1 0 377.488 3.226 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000111693413 1412012622 /nfs/dbraw/zinc/01/26/22/1412012622.db2.gz ZBKFZHFYQLODGK-HSZRJFAPSA-N 1 0 394.515 3.421 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000111731481 1412019402 /nfs/dbraw/zinc/01/94/02/1412019402.db2.gz CFFHYAYQZSWVFC-KRWDZBQOSA-N 1 0 380.492 3.244 20 30 GGEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000111770299 1412027789 /nfs/dbraw/zinc/02/77/89/1412027789.db2.gz TVVIUMIDECHJRX-UHFFFAOYSA-N 1 0 399.498 3.472 20 30 GGEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000111800618 1412030909 /nfs/dbraw/zinc/03/09/09/1412030909.db2.gz ZDTKCSHXOILVEJ-FQEVSTJZSA-N 1 0 383.492 3.362 20 30 GGEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C[NH+]1CCCC1 ZINC000111831907 1412035151 /nfs/dbraw/zinc/03/51/51/1412035151.db2.gz GSUPLZFGLJOZGN-QHGAOEGBSA-N 1 0 384.524 3.279 20 30 GGEDRO C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000112214811 1412094409 /nfs/dbraw/zinc/09/44/09/1412094409.db2.gz PBAXSNJGRCWUBZ-UHFFFAOYSA-N 1 0 376.589 3.323 20 30 GGEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112217203 1412095012 /nfs/dbraw/zinc/09/50/12/1412095012.db2.gz DWLFOQHGXVLNNZ-UHFFFAOYSA-N 1 0 386.565 3.451 20 30 GGEDRO COCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000112353914 1412134696 /nfs/dbraw/zinc/13/46/96/1412134696.db2.gz NHQXQQMUWNFVJG-CQSZACIVSA-N 1 0 375.538 3.432 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)cc1OCCCC#N ZINC000112383099 1412136643 /nfs/dbraw/zinc/13/66/43/1412136643.db2.gz HGIBUIPJVGJONH-SFHVURJKSA-N 1 0 397.450 3.412 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)cc1OCCCC#N ZINC000112383097 1412136793 /nfs/dbraw/zinc/13/67/93/1412136793.db2.gz HGIBUIPJVGJONH-GOSISDBHSA-N 1 0 397.450 3.412 20 30 GGEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000112457049 1412149676 /nfs/dbraw/zinc/14/96/76/1412149676.db2.gz NPRSQQUZLIETAH-KRWDZBQOSA-N 1 0 378.476 3.242 20 30 GGEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000112457052 1412149872 /nfs/dbraw/zinc/14/98/72/1412149872.db2.gz NPRSQQUZLIETAH-QGZVFWFLSA-N 1 0 378.476 3.242 20 30 GGEDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2)ncn1 ZINC000112505483 1412158205 /nfs/dbraw/zinc/15/82/05/1412158205.db2.gz BVLCCBSRNPBOLF-FQEVSTJZSA-N 1 0 379.508 3.480 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)N(C)CCC#N ZINC000112527296 1412162618 /nfs/dbraw/zinc/16/26/18/1412162618.db2.gz LIXVDYQWYYUIPT-IRXDYDNUSA-N 1 0 378.476 3.350 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000112533492 1412164822 /nfs/dbraw/zinc/16/48/22/1412164822.db2.gz TWXPTNOEMUMSEV-HZPDHXFCSA-N 1 0 396.466 3.489 20 30 GGEDRO C=CCNC(=O)c1ccc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc1 ZINC000112555428 1412168226 /nfs/dbraw/zinc/16/82/26/1412168226.db2.gz VVSBPIBMAUZGPM-UHFFFAOYSA-N 1 0 378.520 3.346 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000112636577 1412183423 /nfs/dbraw/zinc/18/34/23/1412183423.db2.gz VPXVZIKNYILJPM-RCCKNPSSSA-N 1 0 393.487 3.207 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)CCc2ccccc2)sc2c1CCCC2 ZINC000112698710 1412195016 /nfs/dbraw/zinc/19/50/16/1412195016.db2.gz ZTOZFQKQBRPGFS-UHFFFAOYSA-N 1 0 397.544 3.364 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000112755314 1412211666 /nfs/dbraw/zinc/21/16/66/1412211666.db2.gz TZEYZCRMKZUEAK-UHFFFAOYSA-N 1 0 390.487 3.189 20 30 GGEDRO CCNc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000112821159 1412221917 /nfs/dbraw/zinc/22/19/17/1412221917.db2.gz LDVHHDSQRQGFSA-UHFFFAOYSA-N 1 0 395.463 3.102 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)C(C)C ZINC000112919939 1412240482 /nfs/dbraw/zinc/24/04/82/1412240482.db2.gz RHMIQJYCCBMYAK-PKOBYXMFSA-N 1 0 387.549 3.304 20 30 GGEDRO C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000112976270 1412249345 /nfs/dbraw/zinc/24/93/45/1412249345.db2.gz KEACAWGTKNCSSB-KRWDZBQOSA-N 1 0 388.475 3.272 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113093276 1412261447 /nfs/dbraw/zinc/26/14/47/1412261447.db2.gz RMQRAFNEMLFLOG-SFHVURJKSA-N 1 0 377.488 3.449 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1 ZINC000113313195 1412291887 /nfs/dbraw/zinc/29/18/87/1412291887.db2.gz YODLYWHSWWELHK-DEOSSOPVSA-N 1 0 394.515 3.260 20 30 GGEDRO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113324879 1412292086 /nfs/dbraw/zinc/29/20/86/1412292086.db2.gz IMBNLNUYKASENE-UHFFFAOYSA-N 1 0 387.487 3.212 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCNC(=O)c2cccs2)c(-c2ccccc2)n1 ZINC000113323591 1412292406 /nfs/dbraw/zinc/29/24/06/1412292406.db2.gz VVHAVCDXRMOEJW-UHFFFAOYSA-N 1 0 379.489 3.045 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000113327883 1412293062 /nfs/dbraw/zinc/29/30/62/1412293062.db2.gz SVGOYUOKUYRKPD-JOCHJYFZSA-N 1 0 378.472 3.496 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCS(=O)(=O)c2ccccc2)c(-c2ccccc2)n1 ZINC000113328311 1412293178 /nfs/dbraw/zinc/29/31/78/1412293178.db2.gz SCKKSMXBBHBREU-UHFFFAOYSA-N 1 0 394.500 3.027 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000113327586 1412293362 /nfs/dbraw/zinc/29/33/62/1412293362.db2.gz XKKUXKQUKDUSFP-HXUWFJFHSA-N 1 0 394.450 3.132 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000113329339 1412293371 /nfs/dbraw/zinc/29/33/71/1412293371.db2.gz YJZWZADVLKUIRH-QHCPKHFHSA-N 1 0 382.479 3.391 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000113331162 1412293412 /nfs/dbraw/zinc/29/34/12/1412293412.db2.gz FHTMLIKNVSITIW-QGZVFWFLSA-N 1 0 377.414 3.190 20 30 GGEDRO N#CCCn1cc(C[NH2+]CC(=O)Nc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000113331223 1412293434 /nfs/dbraw/zinc/29/34/34/1412293434.db2.gz SYBQYEAJFDZTNK-UHFFFAOYSA-N 1 0 377.423 3.331 20 30 GGEDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000113327755 1412293482 /nfs/dbraw/zinc/29/34/82/1412293482.db2.gz XAKLPANCFAUWBM-NRFANRHFSA-N 1 0 390.487 3.302 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000113327881 1412293593 /nfs/dbraw/zinc/29/35/93/1412293593.db2.gz SVGOYUOKUYRKPD-QFIPXVFZSA-N 1 0 378.472 3.496 20 30 GGEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1 ZINC000113327943 1412293602 /nfs/dbraw/zinc/29/36/02/1412293602.db2.gz XFYKGGOQFGHRSG-UHFFFAOYSA-N 1 0 386.517 3.017 20 30 GGEDRO COCCC[NH+]1CCC(NCc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000113333512 1412294154 /nfs/dbraw/zinc/29/41/54/1412294154.db2.gz AGBMZBYSYRANDZ-UHFFFAOYSA-N 1 0 381.524 3.054 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000113341079 1412295145 /nfs/dbraw/zinc/29/51/45/1412295145.db2.gz YDTSUNKZPOEDEE-UHFFFAOYSA-N 1 0 376.456 3.255 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCCNC(=O)c2cccs2)c(-c2ccccc2)n1 ZINC000113354078 1412297391 /nfs/dbraw/zinc/29/73/91/1412297391.db2.gz WAJGMKCSDUFOKN-UHFFFAOYSA-N 1 0 393.516 3.435 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000113366278 1412298683 /nfs/dbraw/zinc/29/86/83/1412298683.db2.gz DUBCKIWZVFNAPM-UHFFFAOYSA-N 1 0 378.476 3.053 20 30 GGEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1cccc(OCC#N)c1 ZINC000113371743 1412299992 /nfs/dbraw/zinc/29/99/92/1412299992.db2.gz DOSQFUBJZKNWFW-UHFFFAOYSA-N 1 0 380.492 3.430 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000113409197 1412304181 /nfs/dbraw/zinc/30/41/81/1412304181.db2.gz XZOXPIYLZVJBEC-OAQYLSRUSA-N 1 0 378.476 3.225 20 30 GGEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000113528584 1412312029 /nfs/dbraw/zinc/31/20/29/1412312029.db2.gz YKIFFYBJEHMRCH-INIZCTEOSA-N 1 0 388.855 3.157 20 30 GGEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000113539713 1412313360 /nfs/dbraw/zinc/31/33/60/1412313360.db2.gz CABLVAOULNJENS-LJQANCHMSA-N 1 0 396.491 3.433 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000113580649 1412317907 /nfs/dbraw/zinc/31/79/07/1412317907.db2.gz HDVQJIWIYNTDOM-GOSISDBHSA-N 1 0 384.505 3.287 20 30 GGEDRO CCc1ccc([C@H](CNC(=O)NCc2cccc(OCC#N)c2)[NH+](C)C)cc1 ZINC000113580516 1412317940 /nfs/dbraw/zinc/31/79/40/1412317940.db2.gz GYVUDLZBGWDEOJ-NRFANRHFSA-N 1 0 380.492 3.253 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000113578601 1412318102 /nfs/dbraw/zinc/31/81/02/1412318102.db2.gz UKWMWPQKHFIPQE-LJQANCHMSA-N 1 0 382.464 3.208 20 30 GGEDRO CC1(C)CN(C(=O)NCc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000113629665 1412324099 /nfs/dbraw/zinc/32/40/99/1412324099.db2.gz ONVRNXANULUHAH-UHFFFAOYSA-N 1 0 392.503 3.395 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)ccc1OC ZINC000113631073 1412324268 /nfs/dbraw/zinc/32/42/68/1412324268.db2.gz CKWKCDLWVKKDHA-SFHVURJKSA-N 1 0 388.512 3.048 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000113930412 1412353672 /nfs/dbraw/zinc/35/36/72/1412353672.db2.gz ZWVBWYMKAIOSMW-LJQANCHMSA-N 1 0 394.471 3.128 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000113945140 1412357532 /nfs/dbraw/zinc/35/75/32/1412357532.db2.gz MOJGWELZTHTKAP-HOTGVXAUSA-N 1 0 395.956 3.487 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000113949300 1412357839 /nfs/dbraw/zinc/35/78/39/1412357839.db2.gz ZOZCMIRKBBBDDN-QGZVFWFLSA-N 1 0 375.350 3.352 20 30 GGEDRO CN(C)C1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCOCC1 ZINC000113959920 1412358962 /nfs/dbraw/zinc/35/89/62/1412358962.db2.gz RFKYFZICZOBLDT-UHFFFAOYSA-N 1 0 379.504 3.338 20 30 GGEDRO N#CCCN(C(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000114193302 1412391691 /nfs/dbraw/zinc/39/16/91/1412391691.db2.gz ZITXIBPWKUNYCW-QFIPXVFZSA-N 1 0 377.488 3.305 20 30 GGEDRO C[C@@H](CCN1CCOCC1)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000114368445 1412420350 /nfs/dbraw/zinc/42/03/50/1412420350.db2.gz QAVXVXXUWQLACP-INIZCTEOSA-N 1 0 397.450 3.330 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@H](C[NH+](C)C)C2)c1C#N ZINC000114477660 1412442171 /nfs/dbraw/zinc/44/21/71/1412442171.db2.gz XUIWPBHVDUCKII-SFHVURJKSA-N 1 0 385.556 3.304 20 30 GGEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)CC(C)(C)O ZINC000114487321 1412442635 /nfs/dbraw/zinc/44/26/35/1412442635.db2.gz VJGSKCRASBLGMI-UHFFFAOYSA-N 1 0 398.507 3.006 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000114527302 1412453588 /nfs/dbraw/zinc/45/35/88/1412453588.db2.gz DHGUYKUBMOXLSB-CQSZACIVSA-N 1 0 379.476 3.244 20 30 GGEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000114677103 1412494450 /nfs/dbraw/zinc/49/44/50/1412494450.db2.gz CSWOJVJFUCAJDX-UHFFFAOYSA-N 1 0 375.472 3.494 20 30 GGEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000114680819 1412495759 /nfs/dbraw/zinc/49/57/59/1412495759.db2.gz YVMHWNLUYAXAKK-SFHVURJKSA-N 1 0 375.472 3.351 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000114738582 1412514777 /nfs/dbraw/zinc/51/47/77/1412514777.db2.gz LEFDQTKXDHPRLT-KRWDZBQOSA-N 1 0 389.546 3.119 20 30 GGEDRO N#Cc1ccc(N2CC[C@H]([NH2+]CC3(c4ccccc4)CCOCC3)C2=O)cc1 ZINC000114747634 1412516757 /nfs/dbraw/zinc/51/67/57/1412516757.db2.gz BTCUNITYSQWRCG-NRFANRHFSA-N 1 0 375.472 3.002 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000114747451 1412517159 /nfs/dbraw/zinc/51/71/59/1412517159.db2.gz NMSNLFRUFYHBEE-HOTGVXAUSA-N 1 0 376.460 3.363 20 30 GGEDRO N#Cc1ccc(N2CC[C@H]([NH2+]CC3(N4CCSCC4)CCCCC3)C2=O)cc1 ZINC000114752549 1412519675 /nfs/dbraw/zinc/51/96/75/1412519675.db2.gz RDVOSQZNARNPKR-FQEVSTJZSA-N 1 0 398.576 3.005 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114790986 1412526220 /nfs/dbraw/zinc/52/62/20/1412526220.db2.gz JHFVLDOVTHUBBC-FQEVSTJZSA-N 1 0 378.476 3.053 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3cc(C#N)ccc3C)c(C)c2)CC1 ZINC000114850161 1412541220 /nfs/dbraw/zinc/54/12/20/1412541220.db2.gz CNOHKEYKMFZVMJ-UHFFFAOYSA-N 1 0 398.532 3.118 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000114850184 1412541472 /nfs/dbraw/zinc/54/14/72/1412541472.db2.gz BIVLZGLISTZMOB-UHFFFAOYSA-N 1 0 398.532 3.198 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115029596 1412572586 /nfs/dbraw/zinc/57/25/86/1412572586.db2.gz YGODDLQXCPPYNE-UHFFFAOYSA-N 1 0 378.451 3.312 20 30 GGEDRO C[NH+](C)CCn1ccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC000115048728 1412578242 /nfs/dbraw/zinc/57/82/42/1412578242.db2.gz HQWFHBUOUXAHDW-UHFFFAOYSA-N 1 0 389.459 3.148 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115254709 1412622089 /nfs/dbraw/zinc/62/20/89/1412622089.db2.gz UVKHOEIMKVAAFI-UHFFFAOYSA-N 1 0 385.556 3.069 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CC1 ZINC000115258136 1412623731 /nfs/dbraw/zinc/62/37/31/1412623731.db2.gz HTXAHMFXFDMMGT-MHZLTWQESA-N 1 0 380.513 3.278 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000115323736 1412647617 /nfs/dbraw/zinc/64/76/17/1412647617.db2.gz ZVIQIFBHSIVSTA-QHCPKHFHSA-N 1 0 389.499 3.297 20 30 GGEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000115339007 1412652857 /nfs/dbraw/zinc/65/28/57/1412652857.db2.gz VRHHWOPGISMHDC-UHFFFAOYSA-N 1 0 375.472 3.305 20 30 GGEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2)c1 ZINC000115358526 1412658649 /nfs/dbraw/zinc/65/86/49/1412658649.db2.gz SVZXZIAWLFMARX-NRFANRHFSA-N 1 0 375.472 3.448 20 30 GGEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2)c1 ZINC000115358528 1412658673 /nfs/dbraw/zinc/65/86/73/1412658673.db2.gz SVZXZIAWLFMARX-OAQYLSRUSA-N 1 0 375.472 3.448 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000115433507 1412674518 /nfs/dbraw/zinc/67/45/18/1412674518.db2.gz OJXBLCNMFMQUGU-LJQANCHMSA-N 1 0 393.535 3.494 20 30 GGEDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000115512109 1412697508 /nfs/dbraw/zinc/69/75/08/1412697508.db2.gz NGQARUJMFKCSLA-UTKZUKDTSA-N 1 0 388.471 3.158 20 30 GGEDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000115512928 1412698998 /nfs/dbraw/zinc/69/89/98/1412698998.db2.gz OMULPKXATVQNSI-LAUBAEHRSA-N 1 0 388.471 3.158 20 30 GGEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115543516 1412704660 /nfs/dbraw/zinc/70/46/60/1412704660.db2.gz QPBYDPKREXVUNL-OAQYLSRUSA-N 1 0 391.450 3.178 20 30 GGEDRO N#CCSc1cccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000177285613 1428671093 /nfs/dbraw/zinc/67/10/93/1428671093.db2.gz XWUQLBQMLPTCAI-UHFFFAOYSA-N 1 0 395.528 3.189 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597141 1412724763 /nfs/dbraw/zinc/72/47/63/1412724763.db2.gz CKICFBRSHNIYBE-IXFSTUDKSA-N 1 0 390.531 3.352 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C(N)=O)cc1 ZINC000115598159 1412724883 /nfs/dbraw/zinc/72/48/83/1412724883.db2.gz VOYLMLNNTIZILI-IBGZPJMESA-N 1 0 383.879 3.076 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000115669666 1412754367 /nfs/dbraw/zinc/75/43/67/1412754367.db2.gz SYRPXPUHOHJGAH-UHFFFAOYSA-N 1 0 385.508 3.203 20 30 GGEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000115704334 1412767397 /nfs/dbraw/zinc/76/73/97/1412767397.db2.gz HUALARMSZLLAJX-WIYYLYMNSA-N 1 0 389.515 3.108 20 30 GGEDRO Cc1cc(N(C)C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000115855829 1412803117 /nfs/dbraw/zinc/80/31/17/1412803117.db2.gz HYLXMZPIWVROLR-UHFFFAOYSA-N 1 0 393.535 3.206 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116064478 1412826862 /nfs/dbraw/zinc/82/68/62/1412826862.db2.gz ONCNFBAXEGMJGI-KRWDZBQOSA-N 1 0 393.487 3.287 20 30 GGEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000116064016 1412827071 /nfs/dbraw/zinc/82/70/71/1412827071.db2.gz GIKYBNHYYQACOZ-SFHVURJKSA-N 1 0 377.488 3.473 20 30 GGEDRO CCOC(=O)CCN(Cc1cccnc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000116366256 1412852832 /nfs/dbraw/zinc/85/28/32/1412852832.db2.gz KXHBUDLNUINBER-UHFFFAOYSA-N 1 0 389.459 3.230 20 30 GGEDRO C[NH+](C)CC[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(C)(C)C ZINC000116438909 1412860783 /nfs/dbraw/zinc/86/07/83/1412860783.db2.gz XVFLTVPZTADVDY-HXUWFJFHSA-N 1 0 386.540 3.477 20 30 GGEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000116449578 1412862035 /nfs/dbraw/zinc/86/20/35/1412862035.db2.gz CSPRCWQYNPOLHX-FQEVSTJZSA-N 1 0 393.487 3.173 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116562186 1412877788 /nfs/dbraw/zinc/87/77/88/1412877788.db2.gz JZQPWJDVSFQWOW-YLJYHZDGSA-N 1 0 398.457 3.466 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116579936 1412880884 /nfs/dbraw/zinc/88/08/84/1412880884.db2.gz PVEPSZGRJCASQI-QGZVFWFLSA-N 1 0 390.487 3.147 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116589137 1412884199 /nfs/dbraw/zinc/88/41/99/1412884199.db2.gz GNCJOWSRFKGOIJ-SFHVURJKSA-N 1 0 375.513 3.063 20 30 GGEDRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)C(C)(C)C ZINC000116588930 1412884241 /nfs/dbraw/zinc/88/42/41/1412884241.db2.gz HKUAEDNRKWCXCQ-KRWDZBQOSA-N 1 0 390.553 3.113 20 30 GGEDRO COCC[N@H+](C)CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116745985 1412914472 /nfs/dbraw/zinc/91/44/72/1412914472.db2.gz CBMGZVKBHDNPNN-UHFFFAOYSA-N 1 0 387.867 3.312 20 30 GGEDRO COCC[N@H+](C)CCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000116745969 1412915166 /nfs/dbraw/zinc/91/51/66/1412915166.db2.gz GKZAERGMTLINOD-UHFFFAOYSA-N 1 0 387.867 3.312 20 30 GGEDRO COc1cc(C[NH+]2CCC(NC(C)=O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000116878079 1412947443 /nfs/dbraw/zinc/94/74/43/1412947443.db2.gz UAQNEAPNBLRKBU-UHFFFAOYSA-N 1 0 393.487 3.246 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCN2CCC(O)CC2)c1 ZINC000116914779 1412955569 /nfs/dbraw/zinc/95/55/69/1412955569.db2.gz SLNXEPMNAWWYJR-UHFFFAOYSA-N 1 0 379.504 3.074 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)CC1 ZINC000177326271 1428691320 /nfs/dbraw/zinc/69/13/20/1428691320.db2.gz KVKIQKSHLPBADB-GOSISDBHSA-N 1 0 398.551 3.079 20 30 GGEDRO CS[C@H]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000117507328 1413044500 /nfs/dbraw/zinc/04/45/00/1413044500.db2.gz KBUGIGMHMUSFLK-PMACEKPBSA-N 1 0 386.565 3.450 20 30 GGEDRO N#CCCn1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000117718302 1413070785 /nfs/dbraw/zinc/07/07/85/1413070785.db2.gz UMJSVOGCPDQMEM-SFHVURJKSA-N 1 0 391.397 3.190 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)CC1 ZINC000117793456 1413079214 /nfs/dbraw/zinc/07/92/14/1413079214.db2.gz GXEJGOBBKQIESV-UHFFFAOYSA-N 1 0 385.487 3.300 20 30 GGEDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000177342741 1428699467 /nfs/dbraw/zinc/69/94/67/1428699467.db2.gz BIOREHZUENKHLO-UHFFFAOYSA-N 1 0 390.915 3.024 20 30 GGEDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000177343528 1428700099 /nfs/dbraw/zinc/70/00/99/1428700099.db2.gz WKMNSMBVZYYEHW-UHFFFAOYSA-N 1 0 398.551 3.301 20 30 GGEDRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000118093306 1413108084 /nfs/dbraw/zinc/10/80/84/1413108084.db2.gz SSDGMTCYURNEIR-NRFANRHFSA-N 1 0 390.487 3.086 20 30 GGEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000118125165 1413114130 /nfs/dbraw/zinc/11/41/30/1413114130.db2.gz QELLNJGUICPNHU-HOTGVXAUSA-N 1 0 388.537 3.010 20 30 GGEDRO CC[N@@H+]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000118826414 1413235003 /nfs/dbraw/zinc/23/50/03/1413235003.db2.gz BEHZGJCJYJNLAS-UHFFFAOYSA-N 1 0 397.498 3.071 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C(C)(C)O)c1C#N ZINC000118994993 1413296693 /nfs/dbraw/zinc/29/66/93/1413296693.db2.gz RLJBKXWNCVKYAI-IBGZPJMESA-N 1 0 380.492 3.140 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000119139763 1413352804 /nfs/dbraw/zinc/35/28/04/1413352804.db2.gz WGNLZKMZDBPYPG-QHCPKHFHSA-N 1 0 386.499 3.484 20 30 GGEDRO C[NH+]=C(NCc1c(C)nn(C)c1C)N(C)Cc1ccc(Br)s1 ZINC000119398989 1413434639 /nfs/dbraw/zinc/43/46/39/1413434639.db2.gz WPEJAHCFBNFNDK-UHFFFAOYSA-N 1 0 384.347 3.068 20 30 GGEDRO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000119473916 1413459583 /nfs/dbraw/zinc/45/95/83/1413459583.db2.gz SEMIAQWQJIAZHL-HNNXBMFYSA-N 1 0 390.505 3.100 20 30 GGEDRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000177411048 1428724529 /nfs/dbraw/zinc/72/45/29/1428724529.db2.gz YONHBMWOYNAZDJ-BFUOFWGJSA-N 1 0 385.851 3.290 20 30 GGEDRO Cc1cc(O)c(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1C ZINC000119640179 1413512329 /nfs/dbraw/zinc/51/23/29/1413512329.db2.gz JVDRPJIWTNJCMX-UHFFFAOYSA-N 1 0 378.432 3.451 20 30 GGEDRO C#Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000119835317 1413587040 /nfs/dbraw/zinc/58/70/40/1413587040.db2.gz MHWZNLFMUCIWSS-YADHBBJMSA-N 1 0 382.552 3.469 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000119897790 1413609426 /nfs/dbraw/zinc/60/94/26/1413609426.db2.gz XBEWFTXWABZLFV-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000119941402 1413625308 /nfs/dbraw/zinc/62/53/08/1413625308.db2.gz WSRPKELUOLICJY-UHFFFAOYSA-N 1 0 385.512 3.012 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000177451070 1428742425 /nfs/dbraw/zinc/74/24/25/1428742425.db2.gz HXTYDNXFWBGZGJ-UHFFFAOYSA-N 1 0 396.535 3.237 20 30 GGEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000120009757 1413652345 /nfs/dbraw/zinc/65/23/45/1413652345.db2.gz VQSVXXHKLIZVQS-MRXNPFEDSA-N 1 0 394.475 3.136 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000120034352 1413661957 /nfs/dbraw/zinc/66/19/57/1413661957.db2.gz GSOCZEYWEZJYIB-INIZCTEOSA-N 1 0 398.536 3.146 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000120074333 1413676551 /nfs/dbraw/zinc/67/65/51/1413676551.db2.gz RJBXNTDMIDYJCX-UHFFFAOYSA-N 1 0 386.540 3.322 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000120096684 1413686162 /nfs/dbraw/zinc/68/61/62/1413686162.db2.gz LZPCWMKBXFGHCS-LSDHHAIUSA-N 1 0 392.525 3.231 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C#N)s2)C(C)C)cc1 ZINC000120110405 1413691855 /nfs/dbraw/zinc/69/18/55/1413691855.db2.gz YOIOOKBVOSBUBF-KRWDZBQOSA-N 1 0 387.505 3.228 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000120118001 1413694580 /nfs/dbraw/zinc/69/45/80/1413694580.db2.gz NMPKMCFEZWJVJD-FUHWJXTLSA-N 1 0 386.496 3.170 20 30 GGEDRO CC(=O)Nc1ccc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000120137968 1413702559 /nfs/dbraw/zinc/70/25/59/1413702559.db2.gz ILBQCULJEPXGOH-UHFFFAOYSA-N 1 0 393.491 3.421 20 30 GGEDRO N#Cc1csc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000177468021 1428751557 /nfs/dbraw/zinc/75/15/57/1428751557.db2.gz UOBDUJSDWCKRAP-UHFFFAOYSA-N 1 0 388.924 3.215 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cc(Cl)cn2C)c(OC)c1 ZINC000120245641 1413749343 /nfs/dbraw/zinc/74/93/43/1413749343.db2.gz MOSUNXYQJKZVSD-SFHVURJKSA-N 1 0 378.900 3.287 20 30 GGEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1N1CCSCC1 ZINC000120295505 1413771580 /nfs/dbraw/zinc/77/15/80/1413771580.db2.gz CWGGCTZROCIPTC-UHFFFAOYSA-N 1 0 389.569 3.248 20 30 GGEDRO CC[NH+]1CCN(CCNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000120305451 1413776750 /nfs/dbraw/zinc/77/67/50/1413776750.db2.gz HGOCEGHRSYWBJX-UHFFFAOYSA-N 1 0 392.503 3.026 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000120316420 1413782411 /nfs/dbraw/zinc/78/24/11/1413782411.db2.gz YOPKTWFJOLOJHZ-GOSISDBHSA-N 1 0 384.505 3.070 20 30 GGEDRO CN(C)c1ccc(C(N)=[NH+]OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000120377882 1413805427 /nfs/dbraw/zinc/80/54/27/1413805427.db2.gz BWIXTBYNUFDEJD-UHFFFAOYSA-N 1 0 380.370 3.047 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1OC ZINC000120592740 1413850420 /nfs/dbraw/zinc/85/04/20/1413850420.db2.gz LKSHDOUDMGDKQJ-RDJZCZTQSA-N 1 0 390.528 3.152 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(OCC#N)c1 ZINC000120706655 1413880266 /nfs/dbraw/zinc/88/02/66/1413880266.db2.gz OSSHUTDXSOORPM-NRFANRHFSA-N 1 0 377.488 3.112 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000120752135 1413892631 /nfs/dbraw/zinc/89/26/31/1413892631.db2.gz FHCWWNCBRYEJDL-UHFFFAOYSA-N 1 0 388.475 3.340 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000120808710 1413909813 /nfs/dbraw/zinc/90/98/13/1413909813.db2.gz VISUTMFAMSACRM-AVRDEDQJSA-N 1 0 377.488 3.158 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(c3cccc(O)c3)CC2)c1 ZINC000120857800 1413928238 /nfs/dbraw/zinc/92/82/38/1413928238.db2.gz LWFZBRDEHUACGI-UHFFFAOYSA-N 1 0 392.503 3.078 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCc4occc43)CC2)cc1 ZINC000120908625 1413944960 /nfs/dbraw/zinc/94/49/60/1413944960.db2.gz ZNBOOEPXSSIOTD-HXUWFJFHSA-N 1 0 378.476 3.446 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCc4occc43)CC2)cc1 ZINC000120908797 1413945010 /nfs/dbraw/zinc/94/50/10/1413945010.db2.gz ZNBOOEPXSSIOTD-FQEVSTJZSA-N 1 0 378.476 3.446 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc(-c2ccccc2)on1 ZINC000121131281 1414019105 /nfs/dbraw/zinc/01/91/05/1414019105.db2.gz CEFJXYLOIFJOJW-UHFFFAOYSA-N 1 0 388.471 3.346 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000121176734 1414033833 /nfs/dbraw/zinc/03/38/33/1414033833.db2.gz ZZKAZURBADFMSL-BUVFEPMLSA-N 1 0 375.472 3.469 20 30 GGEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000121220777 1414048046 /nfs/dbraw/zinc/04/80/46/1414048046.db2.gz OLSSLJSWHAGUSN-LJQANCHMSA-N 1 0 385.508 3.019 20 30 GGEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1 ZINC000121247461 1414057500 /nfs/dbraw/zinc/05/75/00/1414057500.db2.gz ZVRGGVLZGDWZGH-UHFFFAOYSA-N 1 0 376.504 3.385 20 30 GGEDRO Cc1nc(SCC(=O)N(CC[NH+](C)C)Cc2ccco2)c(C#N)c(C)c1C ZINC000121272661 1414066904 /nfs/dbraw/zinc/06/69/04/1414066904.db2.gz WGTQEXKDRUPYNB-UHFFFAOYSA-N 1 0 386.521 3.154 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000121277530 1414068796 /nfs/dbraw/zinc/06/87/96/1414068796.db2.gz XALBARWGRDXMCJ-GOSISDBHSA-N 1 0 390.483 3.432 20 30 GGEDRO CC(C)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](O)c1ccc(F)cc1 ZINC000121295639 1414075424 /nfs/dbraw/zinc/07/54/24/1414075424.db2.gz VZGLYDOVWZSOJL-IBGZPJMESA-N 1 0 375.488 3.160 20 30 GGEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000121321109 1414082641 /nfs/dbraw/zinc/08/26/41/1414082641.db2.gz HQFUAIOJWBSFJZ-UHFFFAOYSA-N 1 0 384.867 3.466 20 30 GGEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000121410130 1414112316 /nfs/dbraw/zinc/11/23/16/1414112316.db2.gz ZNNVNCOZZOFSAQ-HNNXBMFYSA-N 1 0 397.454 3.470 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000121412229 1414113027 /nfs/dbraw/zinc/11/30/27/1414113027.db2.gz MZGWJQXQIZOGAB-UHFFFAOYSA-N 1 0 388.475 3.180 20 30 GGEDRO Cc1cc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000121412052 1414113228 /nfs/dbraw/zinc/11/32/28/1414113228.db2.gz CHOOLYDHQVHLDB-UHFFFAOYSA-N 1 0 395.898 3.347 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(NC(=O)c2cccnc2)c1 ZINC000121431166 1414119795 /nfs/dbraw/zinc/11/97/95/1414119795.db2.gz FYDULQRADVWHKT-KRWDZBQOSA-N 1 0 379.460 3.224 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000121473632 1414139923 /nfs/dbraw/zinc/13/99/23/1414139923.db2.gz FTUUJSLBKHLCBO-CXAGYDPISA-N 1 0 394.924 3.420 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000121473789 1414140307 /nfs/dbraw/zinc/14/03/07/1414140307.db2.gz FTUUJSLBKHLCBO-SUMWQHHRSA-N 1 0 394.924 3.420 20 30 GGEDRO C=C[C@@H](CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)c1ccccc1 ZINC000121488291 1414146265 /nfs/dbraw/zinc/14/62/65/1414146265.db2.gz PHYDVLSEHQLEJB-INIZCTEOSA-N 1 0 379.460 3.455 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H]3C(=O)NC3CC3)c2)c1 ZINC000121494351 1414149052 /nfs/dbraw/zinc/14/90/52/1414149052.db2.gz GJMVGKYVRIDMDQ-JOCHJYFZSA-N 1 0 375.472 3.380 20 30 GGEDRO C[C@@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000177537800 1428785583 /nfs/dbraw/zinc/78/55/83/1428785583.db2.gz NLOAZNKLFKQKBE-HIQXPHMNSA-N 1 0 399.466 3.060 20 30 GGEDRO C[C@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000177537783 1428785726 /nfs/dbraw/zinc/78/57/26/1428785726.db2.gz NLOAZNKLFKQKBE-SYXCRGJESA-N 1 0 399.466 3.060 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CC1 ZINC000121534773 1414166088 /nfs/dbraw/zinc/16/60/88/1414166088.db2.gz JTFAAIZZZPXILD-UHFFFAOYSA-N 1 0 393.413 3.056 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000121602122 1414195343 /nfs/dbraw/zinc/19/53/43/1414195343.db2.gz HPYGXSCSQRKNJW-VQTJNVASSA-N 1 0 384.524 3.377 20 30 GGEDRO C[C@H](c1cn(-c2ccccc2)nn1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000121621545 1414203374 /nfs/dbraw/zinc/20/33/74/1414203374.db2.gz FCHNPVMCVXCPJU-LJQANCHMSA-N 1 0 386.503 3.408 20 30 GGEDRO N#Cc1ccc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)s1 ZINC000121656135 1414213673 /nfs/dbraw/zinc/21/36/73/1414213673.db2.gz ONSXSZMYHVBWIW-UHFFFAOYSA-N 1 0 390.408 3.082 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000121900295 1414298958 /nfs/dbraw/zinc/29/89/58/1414298958.db2.gz KOXGPWHGFYTKKP-UHFFFAOYSA-N 1 0 388.519 3.002 20 30 GGEDRO CCC[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1CCOC ZINC000121925041 1414309705 /nfs/dbraw/zinc/30/97/05/1414309705.db2.gz WSFMNKQKZNYQEI-SFHVURJKSA-N 1 0 384.442 3.369 20 30 GGEDRO N#CCCn1cc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000122082166 1414357867 /nfs/dbraw/zinc/35/78/67/1414357867.db2.gz IWGSODVXGWARKQ-UHFFFAOYSA-N 1 0 387.487 3.341 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000122141087 1414371609 /nfs/dbraw/zinc/37/16/09/1414371609.db2.gz RZVKZJGIASFVKP-UHFFFAOYSA-N 1 0 394.475 3.111 20 30 GGEDRO C=C[C@H](CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000122456841 1414466453 /nfs/dbraw/zinc/46/64/53/1414466453.db2.gz QMUVFSHTBKLTLB-LJQANCHMSA-N 1 0 385.552 3.089 20 30 GGEDRO N#Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000122485539 1414477772 /nfs/dbraw/zinc/47/77/72/1414477772.db2.gz KZLPNLCRTPJXSS-IRLDBZIGSA-N 1 0 395.528 3.233 20 30 GGEDRO COc1cc(OC)c(OC)cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122822929 1414573889 /nfs/dbraw/zinc/57/38/89/1414573889.db2.gz CRWIKHGNOMKQAZ-UHFFFAOYSA-N 1 0 395.503 3.292 20 30 GGEDRO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC000122827141 1414574882 /nfs/dbraw/zinc/57/48/82/1414574882.db2.gz OTJOHJJLRJNXOV-WMLDXEAASA-N 1 0 377.460 3.201 20 30 GGEDRO Cn1c(Cl)nc(Cl)c1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122829796 1414575169 /nfs/dbraw/zinc/57/51/69/1414575169.db2.gz YKLURCCUMIFCIK-UHFFFAOYSA-N 1 0 378.307 3.306 20 30 GGEDRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC000122827329 1414575193 /nfs/dbraw/zinc/57/51/93/1414575193.db2.gz OTJOHJJLRJNXOV-RHSMWYFYSA-N 1 0 377.460 3.201 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1nnc(C2CCCC2)o1 ZINC000122870795 1414585317 /nfs/dbraw/zinc/58/53/17/1414585317.db2.gz WNSWBYOCZMCZPO-UHFFFAOYSA-N 1 0 395.507 3.122 20 30 GGEDRO C=CCOc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000122895027 1414591326 /nfs/dbraw/zinc/59/13/26/1414591326.db2.gz NHJMEQVVWLLACZ-KNQAVFIVSA-N 1 0 395.503 3.256 20 30 GGEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000122963395 1414607456 /nfs/dbraw/zinc/60/74/56/1414607456.db2.gz FYNSMBNQQJZCDJ-JOCHJYFZSA-N 1 0 395.503 3.218 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123076148 1414634764 /nfs/dbraw/zinc/63/47/64/1414634764.db2.gz HHYZCLZISMIXCW-QRWLVFNGSA-N 1 0 399.466 3.108 20 30 GGEDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000123536250 1414766270 /nfs/dbraw/zinc/76/62/70/1414766270.db2.gz VLJXGHXEMSONBI-KRWDZBQOSA-N 1 0 391.899 3.091 20 30 GGEDRO N#Cc1cccc(OCCC[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000177694782 1428835254 /nfs/dbraw/zinc/83/52/54/1428835254.db2.gz FKOHPZNSZPJCKM-UHFFFAOYSA-N 1 0 379.460 3.383 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000123831388 1414831571 /nfs/dbraw/zinc/83/15/71/1414831571.db2.gz CZGQJIMWNVRCCI-LJQANCHMSA-N 1 0 389.499 3.016 20 30 GGEDRO COc1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1OCCCC#N ZINC000124008345 1414868118 /nfs/dbraw/zinc/86/81/18/1414868118.db2.gz DBKQSNFXWHWKML-QGZVFWFLSA-N 1 0 376.403 3.479 20 30 GGEDRO C[C@@H]1CCN(C(=O)NCCSCc2ccccc2C#N)C[C@@H]1n1ccnc1 ZINC000177733434 1428844664 /nfs/dbraw/zinc/84/46/64/1428844664.db2.gz LHZWJIOLPMIXLF-APWZRJJASA-N 1 0 383.521 3.281 20 30 GGEDRO Cc1cc(C(O)=CONC(=[NH2+])c2ccc(N(C)C)cc2)c(C)n1Cc1ccco1 ZINC000177758210 1428851094 /nfs/dbraw/zinc/85/10/94/1428851094.db2.gz JYFSOJYERQUWLN-UHFFFAOYSA-N 1 0 394.475 3.332 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000124150647 1414896184 /nfs/dbraw/zinc/89/61/84/1414896184.db2.gz VHFJTOFCMJIJFM-SFHVURJKSA-N 1 0 384.524 3.151 20 30 GGEDRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000124217364 1414911354 /nfs/dbraw/zinc/91/13/54/1414911354.db2.gz WFMNCEMUSHEDSP-UHFFFAOYSA-N 1 0 379.464 3.010 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000124288353 1414929936 /nfs/dbraw/zinc/92/99/36/1414929936.db2.gz DLQJQBYPLRAXBS-YADHBBJMSA-N 1 0 379.504 3.094 20 30 GGEDRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000124427338 1414965168 /nfs/dbraw/zinc/96/51/68/1414965168.db2.gz WQCALQGXLPLKKY-SFHVURJKSA-N 1 0 398.894 3.002 20 30 GGEDRO N#CCc1ccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000124554138 1414992338 /nfs/dbraw/zinc/99/23/38/1414992338.db2.gz AQQLWDUGNAPXDB-UHFFFAOYSA-N 1 0 391.519 3.477 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(S(C)(=O)=O)c(C)c1)C(C)C ZINC000124599177 1415002737 /nfs/dbraw/zinc/00/27/37/1415002737.db2.gz SJEPIXUFDBHANJ-GOSISDBHSA-N 1 0 393.553 3.219 20 30 GGEDRO CN(CCC#N)c1ccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000124625653 1415008112 /nfs/dbraw/zinc/00/81/12/1415008112.db2.gz DZVWYBSABNTIAU-UHFFFAOYSA-N 1 0 393.491 3.118 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCCOCc2ccc(Cl)cc2)cc1OC ZINC000124872460 1415063942 /nfs/dbraw/zinc/06/39/42/1415063942.db2.gz OZOYDQOUROJTSB-UHFFFAOYSA-N 1 0 391.899 3.021 20 30 GGEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000125018885 1415092792 /nfs/dbraw/zinc/09/27/92/1415092792.db2.gz HKKZJBQBCGVFKP-JKSUJKDBSA-N 1 0 378.542 3.417 20 30 GGEDRO CCOC(=O)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000125101664 1415109210 /nfs/dbraw/zinc/10/92/10/1415109210.db2.gz IOVWRDMSXANFJN-UHFFFAOYSA-N 1 0 389.521 3.102 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CC(=O)N(CCOc3ccccc3)C2)c(O)c1 ZINC000125159436 1415121485 /nfs/dbraw/zinc/12/14/85/1415121485.db2.gz PXJRDECPOCQOJJ-JWGRYVKWSA-N 1 0 395.503 3.337 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NCC(=O)N(C)C)c1 ZINC000125165285 1415122475 /nfs/dbraw/zinc/12/24/75/1415122475.db2.gz FMJMMTHKKACCDQ-UHFFFAOYSA-O 1 0 398.552 3.023 20 30 GGEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000125247445 1415140069 /nfs/dbraw/zinc/14/00/69/1415140069.db2.gz LAGYWUWTDVTDJD-HXUWFJFHSA-N 1 0 398.894 3.485 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3ccc(CC#N)cc3)CC2)c1 ZINC000125285082 1415151993 /nfs/dbraw/zinc/15/19/93/1415151993.db2.gz UQTUDLNBRVWGCV-UHFFFAOYSA-N 1 0 391.519 3.395 20 30 GGEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)c1 ZINC000177822251 1428865142 /nfs/dbraw/zinc/86/51/42/1428865142.db2.gz PAMVHPOVFQSFAE-OAHLLOKOSA-N 1 0 389.546 3.050 20 30 GGEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3nccn3CC(F)(F)F)CC2)nc1 ZINC000125416952 1415192436 /nfs/dbraw/zinc/19/24/36/1415192436.db2.gz CFQMVNAILKIDSZ-UHFFFAOYSA-N 1 0 379.386 3.192 20 30 GGEDRO C[NH+](C)CC1CCC(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000125432328 1415196796 /nfs/dbraw/zinc/19/67/96/1415196796.db2.gz LANWTJHVWABRIF-UHFFFAOYSA-N 1 0 384.524 3.231 20 30 GGEDRO COc1ccc([C@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)N2CCOCC2)cc1 ZINC000125519766 1415219577 /nfs/dbraw/zinc/21/95/77/1415219577.db2.gz YTORQMJZSSYGRF-RZMWZJFBSA-N 1 0 391.515 3.282 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2COc2ccccc2)c1C#N ZINC000125608110 1415237086 /nfs/dbraw/zinc/23/70/86/1415237086.db2.gz GUQUKORTWXQJOR-UHFFFAOYSA-N 1 0 389.459 3.265 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000125610267 1415237606 /nfs/dbraw/zinc/23/76/06/1415237606.db2.gz RKLVDJOHHPPQSK-QZTJIDSGSA-N 1 0 394.560 3.162 20 30 GGEDRO Cc1cccc(NC2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000125677859 1415252445 /nfs/dbraw/zinc/25/24/45/1415252445.db2.gz IFXOLWJHEJOLRC-JOCHJYFZSA-N 1 0 379.504 3.377 20 30 GGEDRO CN(C(=O)Cc1cccc(OCC#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000125688625 1415254754 /nfs/dbraw/zinc/25/47/54/1415254754.db2.gz DUMSOVNMIYHQHW-UHFFFAOYSA-N 1 0 377.488 3.254 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000125723185 1415262058 /nfs/dbraw/zinc/26/20/58/1415262058.db2.gz IJEDATCFHNZSNA-OAQYLSRUSA-N 1 0 380.488 3.022 20 30 GGEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177902752 1428887695 /nfs/dbraw/zinc/88/76/95/1428887695.db2.gz FTMYBBOHKSBJFN-HOTGVXAUSA-N 1 0 388.487 3.441 20 30 GGEDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000177912366 1428889918 /nfs/dbraw/zinc/88/99/18/1428889918.db2.gz NXKLSIZAVJTDCN-UHFFFAOYSA-N 1 0 377.492 3.111 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(OC(F)F)cc1 ZINC000125808820 1415286892 /nfs/dbraw/zinc/28/68/92/1415286892.db2.gz VORBOSWTWWDRLA-RHSMWYFYSA-N 1 0 376.403 3.445 20 30 GGEDRO CCN(CCC#N)C(=O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000125821636 1415289987 /nfs/dbraw/zinc/28/99/87/1415289987.db2.gz CKVJGSQCNDPULP-UHFFFAOYSA-N 1 0 388.515 3.136 20 30 GGEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000125826788 1415291229 /nfs/dbraw/zinc/29/12/29/1415291229.db2.gz JOVWZYGPCMMKKA-DNVCBOLYSA-N 1 0 387.480 3.029 20 30 GGEDRO C=CCNc1ncc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)s1 ZINC000125966144 1415324471 /nfs/dbraw/zinc/32/44/71/1415324471.db2.gz LPJIBKUIWGAPCZ-INIZCTEOSA-N 1 0 398.532 3.459 20 30 GGEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000125993191 1415332248 /nfs/dbraw/zinc/33/22/48/1415332248.db2.gz YPUWCLJRDBOYLI-UGKGYDQZSA-N 1 0 392.503 3.434 20 30 GGEDRO CC(C)(C)OC(=O)Nc1ccc(CC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000126015147 1415336980 /nfs/dbraw/zinc/33/69/80/1415336980.db2.gz FPAPTWCVJBAYNE-IBGZPJMESA-N 1 0 394.475 3.264 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1nccn1C(C)(C)C ZINC000126045508 1415343416 /nfs/dbraw/zinc/34/34/16/1415343416.db2.gz NLOMRZHWLWVTHG-UHFFFAOYSA-N 1 0 399.564 3.192 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000126230640 1415389519 /nfs/dbraw/zinc/38/95/19/1415389519.db2.gz JXRWKWFDUXLREN-LJQANCHMSA-N 1 0 377.488 3.254 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000177968927 1428907409 /nfs/dbraw/zinc/90/74/09/1428907409.db2.gz CUHQWWFMEPTQQC-HNNXBMFYSA-N 1 0 377.893 3.477 20 30 GGEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126427638 1415450246 /nfs/dbraw/zinc/45/02/46/1415450246.db2.gz YUJVOVSZRLYEHI-GHTZIAJQSA-N 1 0 394.519 3.142 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000177996906 1428922822 /nfs/dbraw/zinc/92/28/22/1428922822.db2.gz OEMPQJUIASYSHE-RTWAWAEBSA-N 1 0 382.508 3.011 20 30 GGEDRO C#CCOc1ccc(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000126543853 1415484759 /nfs/dbraw/zinc/48/47/59/1415484759.db2.gz QUCBNSKYTIEUPU-UHFFFAOYSA-N 1 0 391.515 3.051 20 30 GGEDRO Cc1nc(SCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C#N)c(C)c1C ZINC000126645074 1415515650 /nfs/dbraw/zinc/51/56/50/1415515650.db2.gz SVGLNOZZXCSMRI-XLIONFOSSA-N 1 0 398.576 3.446 20 30 GGEDRO CC1CC[NH+](C2CCC(NC(=O)NCc3cccc(OCC#N)c3)CC2)CC1 ZINC000126737924 1415543539 /nfs/dbraw/zinc/54/35/39/1415543539.db2.gz KFDUYTBDJCESPH-UHFFFAOYSA-N 1 0 384.524 3.431 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000178043103 1428953236 /nfs/dbraw/zinc/95/32/36/1428953236.db2.gz VICYXIDCLPZGEI-IBGZPJMESA-N 1 0 390.487 3.029 20 30 GGEDRO CCc1nnc(N2CCC([NH2+]CCOc3ccccc3)CC2)c(C#N)c1CC ZINC000126936449 1415613750 /nfs/dbraw/zinc/61/37/50/1415613750.db2.gz SNQWPGXJWPAIKS-UHFFFAOYSA-N 1 0 379.508 3.110 20 30 GGEDRO COc1cccc(OC)c1OC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000127127076 1415666219 /nfs/dbraw/zinc/66/62/19/1415666219.db2.gz KBIFHCFHPGAHAW-IBGZPJMESA-N 1 0 382.460 3.152 20 30 GGEDRO COc1cccc(OC)c1OC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000127127329 1415666229 /nfs/dbraw/zinc/66/62/29/1415666229.db2.gz KBIFHCFHPGAHAW-LJQANCHMSA-N 1 0 382.460 3.152 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178063748 1428964476 /nfs/dbraw/zinc/96/44/76/1428964476.db2.gz UMKSFPHYWJGANH-GOSISDBHSA-N 1 0 390.487 3.029 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3noc(-c4ccsc4)n3)CC2)cc1 ZINC000127271856 1415711471 /nfs/dbraw/zinc/71/14/71/1415711471.db2.gz IOMBKBPAHKONDQ-UHFFFAOYSA-N 1 0 379.489 3.378 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)ccc1OC ZINC000127283729 1415717525 /nfs/dbraw/zinc/71/75/25/1415717525.db2.gz UAHGOYVTYNARSH-UHFFFAOYSA-N 1 0 389.517 3.485 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178101598 1428981855 /nfs/dbraw/zinc/98/18/55/1428981855.db2.gz NOASJAVEXPBDAE-GOSISDBHSA-N 1 0 375.472 3.020 20 30 GGEDRO C[NH+](C)CC1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000127340811 1415744616 /nfs/dbraw/zinc/74/46/16/1415744616.db2.gz XBVFTDFIXBQXDI-UHFFFAOYSA-N 1 0 398.532 3.137 20 30 GGEDRO C#CC[N@@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@H]1CCc2ccccc21 ZINC000127532421 1415805750 /nfs/dbraw/zinc/80/57/50/1415805750.db2.gz VNKPNJZIEPESOT-IBGZPJMESA-N 1 0 398.890 3.335 20 30 GGEDRO N#Cc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(F)c1 ZINC000127551643 1415808589 /nfs/dbraw/zinc/80/85/89/1415808589.db2.gz MDYYDVLJHGEELR-UHFFFAOYSA-N 1 0 385.464 3.264 20 30 GGEDRO CC[N@H+](C)[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1 ZINC000127565808 1415811198 /nfs/dbraw/zinc/81/11/98/1415811198.db2.gz FNJYALRRSKZTKI-QFIPXVFZSA-N 1 0 392.503 3.151 20 30 GGEDRO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000127601491 1415817554 /nfs/dbraw/zinc/81/75/54/1415817554.db2.gz XBLURXOVCOCKSR-JYJNAYRXSA-N 1 0 381.476 3.492 20 30 GGEDRO CC(C)(C)NC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccccc1 ZINC000127678924 1415831360 /nfs/dbraw/zinc/83/13/60/1415831360.db2.gz MLTKGWKCPRXCBL-UHFFFAOYSA-O 1 0 396.536 3.428 20 30 GGEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000127886688 1415870152 /nfs/dbraw/zinc/87/01/52/1415870152.db2.gz NEDNLSZAXHYKQG-UHFFFAOYSA-N 1 0 394.475 3.102 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)c1C#N ZINC000128123474 1415918134 /nfs/dbraw/zinc/91/81/34/1415918134.db2.gz IILHOUGFEJHNRJ-JTQLQIEISA-N 1 0 396.278 3.146 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)c1C#N ZINC000128123714 1415918240 /nfs/dbraw/zinc/91/82/40/1415918240.db2.gz IILHOUGFEJHNRJ-SNVBAGLBSA-N 1 0 396.278 3.146 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1C#N ZINC000128188323 1415934986 /nfs/dbraw/zinc/93/49/86/1415934986.db2.gz ZIKFYPQMTYHXBI-UHFFFAOYSA-N 1 0 375.432 3.478 20 30 GGEDRO Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000128225375 1415943808 /nfs/dbraw/zinc/94/38/08/1415943808.db2.gz ZSKPRXQSIFBMJO-INIZCTEOSA-N 1 0 395.507 3.012 20 30 GGEDRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000128279756 1415953718 /nfs/dbraw/zinc/95/37/18/1415953718.db2.gz HUJOOSFHAKVYKT-UHFFFAOYSA-N 1 0 398.894 3.090 20 30 GGEDRO CCS[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000178248412 1429031815 /nfs/dbraw/zinc/03/18/15/1429031815.db2.gz YPSYHVDUVXZAHH-INIZCTEOSA-N 1 0 385.537 3.463 20 30 GGEDRO CCS[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000178248424 1429032284 /nfs/dbraw/zinc/03/22/84/1429032284.db2.gz YPSYHVDUVXZAHH-MRXNPFEDSA-N 1 0 385.537 3.463 20 30 GGEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000178257691 1429035095 /nfs/dbraw/zinc/03/50/95/1429035095.db2.gz HBJUMDXCCBYODN-KDURUIRLSA-N 1 0 383.536 3.229 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)ncc1Cl ZINC000128659960 1416035759 /nfs/dbraw/zinc/03/57/59/1416035759.db2.gz VMGXVIABMSVTSL-UHFFFAOYSA-N 1 0 377.275 3.464 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000128680549 1416041154 /nfs/dbraw/zinc/04/11/54/1416041154.db2.gz PIOSJDIAFVNOJD-PKOBYXMFSA-N 1 0 386.879 3.299 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000128770993 1416064418 /nfs/dbraw/zinc/06/44/18/1416064418.db2.gz ZOYKSLKCKJSISY-KRWDZBQOSA-N 1 0 386.879 3.495 20 30 GGEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000128793575 1416070433 /nfs/dbraw/zinc/07/04/33/1416070433.db2.gz UEGRVMIMOGGAAB-UHFFFAOYSA-N 1 0 392.503 3.194 20 30 GGEDRO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000128799269 1416071877 /nfs/dbraw/zinc/07/18/77/1416071877.db2.gz SSPUTOWADLPACV-JOCHJYFZSA-N 1 0 383.492 3.358 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc(C#N)cc3F)CC2)cc1 ZINC000178342719 1429056085 /nfs/dbraw/zinc/05/60/85/1429056085.db2.gz OXECFLLKLFBDOX-UHFFFAOYSA-N 1 0 381.451 3.119 20 30 GGEDRO N#Cc1cccc(OCCC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000178293902 1429044739 /nfs/dbraw/zinc/04/47/39/1429044739.db2.gz OOQKNBILOOHUBP-UHFFFAOYSA-N 1 0 376.460 3.307 20 30 GGEDRO COc1ccc(NC(=[NH2+])NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000128886463 1416092738 /nfs/dbraw/zinc/09/27/38/1416092738.db2.gz FMMIEGPFGAWFDM-CQSZACIVSA-N 1 0 397.397 3.172 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc(OC(C)C)cc1)[n+]1cccc(CO)c1 ZINC000128965917 1416115204 /nfs/dbraw/zinc/11/52/04/1416115204.db2.gz VXAXJZMJVZMGII-UHFFFAOYSA-O 1 0 387.525 3.192 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000128995964 1416122225 /nfs/dbraw/zinc/12/22/25/1416122225.db2.gz SWDRUVSNRDVCNU-KRWDZBQOSA-N 1 0 381.451 3.465 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000129046093 1416132974 /nfs/dbraw/zinc/13/29/74/1416132974.db2.gz XWEKRQCGOYTWJO-SNXQWQLTSA-N 1 0 382.508 3.173 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC1 ZINC000178383795 1429066131 /nfs/dbraw/zinc/06/61/31/1429066131.db2.gz MBTNCBZQUIJEAW-LEWJYISDSA-N 1 0 379.508 3.061 20 30 GGEDRO C=CCOc1ccccc1CN(C(=O)[C@H]([NH3+])CC)c1ccc2c(c1)OCCO2 ZINC000129149677 1416156802 /nfs/dbraw/zinc/15/68/02/1416156802.db2.gz YBNAFJCAZZJJOY-GOSISDBHSA-N 1 0 382.460 3.293 20 30 GGEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000178405105 1429071070 /nfs/dbraw/zinc/07/10/70/1429071070.db2.gz LOGXBRHCNJMCQU-QZTJIDSGSA-N 1 0 387.528 3.004 20 30 GGEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000178405089 1429071352 /nfs/dbraw/zinc/07/13/52/1429071352.db2.gz LOGXBRHCNJMCQU-MSOLQXFVSA-N 1 0 387.528 3.004 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CCC(F)(F)F)CC1 ZINC000129461880 1416213316 /nfs/dbraw/zinc/21/33/16/1416213316.db2.gz JWRLUILOCWKWAQ-UHFFFAOYSA-N 1 0 397.441 3.277 20 30 GGEDRO C[C@@]([NH2+]CCCOc1cccc(C#N)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000129497410 1416218991 /nfs/dbraw/zinc/21/89/91/1416218991.db2.gz ZKUCGKIZJYCXMU-IBGZPJMESA-N 1 0 391.393 3.336 20 30 GGEDRO CC(C)OC(=O)[C@@H](C)N(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000129618894 1416237834 /nfs/dbraw/zinc/23/78/34/1416237834.db2.gz XOYXOCAQHUHLQN-CYBMUJFWSA-N 1 0 377.510 3.099 20 30 GGEDRO C=CCNc1ncc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000129676550 1416247166 /nfs/dbraw/zinc/24/71/66/1416247166.db2.gz RABDUFUIIAWDSY-HOTGVXAUSA-N 1 0 392.569 3.093 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129757919 1416259072 /nfs/dbraw/zinc/25/90/72/1416259072.db2.gz MXPKYARSJJZKDT-ZWOKBUDYSA-N 1 0 383.471 3.240 20 30 GGEDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000129763213 1416260082 /nfs/dbraw/zinc/26/00/82/1416260082.db2.gz YMZFZQHFASTACR-UHFFFAOYSA-N 1 0 379.451 3.047 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2C)[NH+]2CCCC2)cc1 ZINC000178458760 1429081863 /nfs/dbraw/zinc/08/18/63/1429081863.db2.gz IEAFSWFYDNMKMG-OAQYLSRUSA-N 1 0 390.487 3.067 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@]2(CC)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000129950460 1416289907 /nfs/dbraw/zinc/28/99/07/1416289907.db2.gz CWPJRXWBKPQEET-OAQYLSRUSA-N 1 0 379.545 3.180 20 30 GGEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000130016958 1416303388 /nfs/dbraw/zinc/30/33/88/1416303388.db2.gz BMCAYEKJERDMLG-QFIPXVFZSA-N 1 0 377.488 3.213 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000178481564 1429087185 /nfs/dbraw/zinc/08/71/85/1429087185.db2.gz WJOZVIOQLTXQSN-QGZVFWFLSA-N 1 0 390.487 3.147 20 30 GGEDRO CCc1cnc(CNC(N[C@@H]2CCCN(c3cccc(F)c3)C2)=[NH+]C)s1 ZINC000130609647 1416409225 /nfs/dbraw/zinc/40/92/25/1416409225.db2.gz RGPPGIRQRRSWFO-OAHLLOKOSA-N 1 0 375.517 3.179 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000130619935 1416411849 /nfs/dbraw/zinc/41/18/49/1416411849.db2.gz PKQNLCPREIVOQZ-LEWJYISDSA-N 1 0 392.503 3.245 20 30 GGEDRO COCc1c(C(=O)N(CCC#N)CCC[NH+](C)C)sc2cccc(F)c21 ZINC000130809717 1416456153 /nfs/dbraw/zinc/45/61/53/1416456153.db2.gz PESHJJRFJAWLKI-UHFFFAOYSA-N 1 0 377.485 3.494 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130819973 1416459193 /nfs/dbraw/zinc/45/91/93/1416459193.db2.gz PXNLQJIFPFOJPJ-HXUWFJFHSA-N 1 0 381.432 3.065 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000178534482 1429099790 /nfs/dbraw/zinc/09/97/90/1429099790.db2.gz YBCWBKCCPOSWDV-UHFFFAOYSA-N 1 0 378.476 3.145 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCOCC3CC3)sc2C1 ZINC000130886767 1416475899 /nfs/dbraw/zinc/47/58/99/1416475899.db2.gz VRKRUPMMKCUKCA-AWEZNQCLSA-N 1 0 375.538 3.432 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@H]2CSC)c1=S ZINC000130959518 1416487828 /nfs/dbraw/zinc/48/78/28/1416487828.db2.gz VADYHOVNTRVNCN-KRWDZBQOSA-N 1 0 395.642 3.413 20 30 GGEDRO CCOc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000131170025 1416518945 /nfs/dbraw/zinc/51/89/45/1416518945.db2.gz WXYJBFMDPQCGGT-KRWDZBQOSA-N 1 0 395.503 3.444 20 30 GGEDRO COc1cc(C[N@H+](CC(N)=O)C(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000131205840 1416523625 /nfs/dbraw/zinc/52/36/25/1416523625.db2.gz SDZUTPOZCFITQV-UHFFFAOYSA-N 1 0 381.476 3.232 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccccc2OC)C(=S)NCCSC)cc1 ZINC000131260744 1416531354 /nfs/dbraw/zinc/53/13/54/1416531354.db2.gz PTRUIPGEJLYRGA-UHFFFAOYSA-O 1 0 389.566 3.437 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1cccc(C)c1 ZINC000131273897 1416533282 /nfs/dbraw/zinc/53/32/82/1416533282.db2.gz XGRVJPZBVMZLDF-UHFFFAOYSA-O 1 0 381.493 3.452 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NCc2ccon2)[n+]2cccc(C)c2)cc1 ZINC000131284085 1416535103 /nfs/dbraw/zinc/53/51/03/1416535103.db2.gz UMDDONNYUYKWJI-UHFFFAOYSA-O 1 0 396.492 3.398 20 30 GGEDRO C=CCOc1cccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000131305170 1416537404 /nfs/dbraw/zinc/53/74/04/1416537404.db2.gz ODOFYPSVYBXXIK-VQTJNVASSA-N 1 0 381.476 3.008 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(OC)cc2)C(=S)NCCSC)cc1 ZINC000131309416 1416538264 /nfs/dbraw/zinc/53/82/64/1416538264.db2.gz NSXAFLWIYWJKCI-UHFFFAOYSA-O 1 0 389.566 3.437 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131324875 1416540449 /nfs/dbraw/zinc/54/04/49/1416540449.db2.gz JKHHZMKMPMKPAH-QZTJIDSGSA-N 1 0 397.498 3.149 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131329143 1416540671 /nfs/dbraw/zinc/54/06/71/1416540671.db2.gz NVYPYWRRKCKPBV-ZWKOTPCHSA-N 1 0 386.565 3.339 20 30 GGEDRO CC[C@@H](c1ccncc1)N(CC)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000131506372 1416568381 /nfs/dbraw/zinc/56/83/81/1416568381.db2.gz YZIVLJXPXASSGI-SIKLNZKXSA-N 1 0 391.475 3.151 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1OCCCC#N ZINC000131631796 1416587378 /nfs/dbraw/zinc/58/73/78/1416587378.db2.gz WUPFONJDTWUPGA-LJQANCHMSA-N 1 0 385.508 3.401 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000131636032 1416587648 /nfs/dbraw/zinc/58/76/48/1416587648.db2.gz DIJKZRLEXTZZIM-VQTJNVASSA-N 1 0 399.535 3.148 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000131635827 1416587818 /nfs/dbraw/zinc/58/78/18/1416587818.db2.gz DIJKZRLEXTZZIM-WOJBJXKFSA-N 1 0 399.535 3.148 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[C@H](COCc2ccccc2)C1 ZINC000131798610 1416623016 /nfs/dbraw/zinc/62/30/16/1416623016.db2.gz RUESSMBFGYWWGZ-KJJMTIBFSA-N 1 0 397.563 3.448 20 30 GGEDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000131874757 1416639440 /nfs/dbraw/zinc/63/94/40/1416639440.db2.gz PVPUQFGMNZYFCJ-RTWAWAEBSA-N 1 0 379.504 3.223 20 30 GGEDRO CC(C)C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000178593235 1429115595 /nfs/dbraw/zinc/11/55/95/1429115595.db2.gz QCHQXPLFAQXMST-SFHVURJKSA-N 1 0 398.551 3.476 20 30 GGEDRO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132226462 1416720280 /nfs/dbraw/zinc/72/02/80/1416720280.db2.gz SBGHXIZBCSMBHQ-WIYYLYMNSA-N 1 0 377.488 3.449 20 30 GGEDRO N#Cc1c(NC(=O)CC[NH2+][C@]2(CO)CCc3ccccc32)sc2c1CCCC2 ZINC000132226090 1416720307 /nfs/dbraw/zinc/72/03/07/1416720307.db2.gz FLJALTZOGGGYRO-QFIPXVFZSA-N 1 0 395.528 3.251 20 30 GGEDRO N#Cc1c(NC(=O)CC[NH2+][C@@]2(CO)CCc3ccccc32)sc2c1CCCC2 ZINC000132226279 1416720416 /nfs/dbraw/zinc/72/04/16/1416720416.db2.gz FLJALTZOGGGYRO-JOCHJYFZSA-N 1 0 395.528 3.251 20 30 GGEDRO N#Cc1c(NC(=O)C[NH2+][C@@]2(CO)CCc3ccccc32)sc2c1CCCCC2 ZINC000132247229 1416723621 /nfs/dbraw/zinc/72/36/21/1416723621.db2.gz YIDNRRLXFFWJFY-JOCHJYFZSA-N 1 0 395.528 3.251 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000132281606 1416728406 /nfs/dbraw/zinc/72/84/06/1416728406.db2.gz PEWWBCAFUGOPMJ-AOMKIAJQSA-N 1 0 395.528 3.300 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(N4CCCC4)nc3)C2)c(F)c1 ZINC000132318745 1416734878 /nfs/dbraw/zinc/73/48/78/1416734878.db2.gz YTKPAYBWCQNXPL-LJQANCHMSA-N 1 0 379.483 3.451 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(N4CCCC4)nc3)C2)c(F)c1 ZINC000132318538 1416734971 /nfs/dbraw/zinc/73/49/71/1416734971.db2.gz YTKPAYBWCQNXPL-IBGZPJMESA-N 1 0 379.483 3.451 20 30 GGEDRO COC(=O)c1cccc(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000132401321 1416752458 /nfs/dbraw/zinc/75/24/58/1416752458.db2.gz KZVJFLCPCTWBHP-UHFFFAOYSA-N 1 0 381.354 3.341 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000132408822 1416754162 /nfs/dbraw/zinc/75/41/62/1416754162.db2.gz BZISEKZURYSTTJ-GOSISDBHSA-N 1 0 398.507 3.492 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000132409033 1416754360 /nfs/dbraw/zinc/75/43/60/1416754360.db2.gz BZISEKZURYSTTJ-SFHVURJKSA-N 1 0 398.507 3.492 20 30 GGEDRO C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000132496768 1416773191 /nfs/dbraw/zinc/77/31/91/1416773191.db2.gz UBZAOOJRVGZEFG-HXUWFJFHSA-N 1 0 380.492 3.471 20 30 GGEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)COc3ccc(C#N)cc3)cc2)CC1 ZINC000132607522 1416792371 /nfs/dbraw/zinc/79/23/71/1416792371.db2.gz WMNYARDXEFTIFM-UHFFFAOYSA-N 1 0 392.503 3.354 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000132631718 1416797090 /nfs/dbraw/zinc/79/70/90/1416797090.db2.gz OTRMAJJSUWZTLD-UHFFFAOYSA-N 1 0 393.413 3.199 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC(C)(C)C)[n+]1cccc(CO)c1 ZINC000132980229 1416838140 /nfs/dbraw/zinc/83/81/40/1416838140.db2.gz KKDFWTBWQYSANS-UHFFFAOYSA-O 1 0 387.525 3.110 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)C(C)C ZINC000133052342 1416846306 /nfs/dbraw/zinc/84/63/06/1416846306.db2.gz FYHJEVLAXJNTJU-QWFCFKBJSA-N 1 0 381.586 3.039 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1)C(C)C ZINC000133052963 1416846312 /nfs/dbraw/zinc/84/63/12/1416846312.db2.gz FYHJEVLAXJNTJU-CMKODMSKSA-N 1 0 381.586 3.039 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000133216095 1416865848 /nfs/dbraw/zinc/86/58/48/1416865848.db2.gz HYSPFTBNZBXDPF-REWPJTCUSA-N 1 0 393.531 3.089 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000133215896 1416865867 /nfs/dbraw/zinc/86/58/67/1416865867.db2.gz HYSPFTBNZBXDPF-OFNKIYASSA-N 1 0 393.531 3.089 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNc2nccc(C#N)c2[N+](=O)[O-])cc1OC ZINC000133309208 1416877023 /nfs/dbraw/zinc/87/70/23/1416877023.db2.gz UGDGXOYCTOZLOH-UHFFFAOYSA-N 1 0 399.451 3.203 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)c1C#N ZINC000133418223 1416888009 /nfs/dbraw/zinc/88/80/09/1416888009.db2.gz ILBLZKXLRJQFOZ-LJQANCHMSA-N 1 0 381.480 3.072 20 30 GGEDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000133425362 1416888571 /nfs/dbraw/zinc/88/85/71/1416888571.db2.gz LCPMZXXRHOQIJF-LJQANCHMSA-N 1 0 384.524 3.295 20 30 GGEDRO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000133424931 1416888642 /nfs/dbraw/zinc/88/86/42/1416888642.db2.gz BODWXXMIOYCHEY-TZIWHRDSSA-N 1 0 396.535 3.072 20 30 GGEDRO CCNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc2c(c1)CCCC2 ZINC000133430745 1416889337 /nfs/dbraw/zinc/88/93/37/1416889337.db2.gz YYKOXLCWMZZFML-UHFFFAOYSA-O 1 0 397.520 3.188 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(-c3ccccc3)cc2OC)c1C#N ZINC000133558682 1416904089 /nfs/dbraw/zinc/90/40/89/1416904089.db2.gz KDKVPVVTYGSKJM-UHFFFAOYSA-N 1 0 395.488 3.423 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)c1C#N ZINC000133576643 1416908851 /nfs/dbraw/zinc/90/88/51/1416908851.db2.gz NENIYLCTOYLMSE-OAHLLOKOSA-N 1 0 382.512 3.451 20 30 GGEDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000178672800 1429135839 /nfs/dbraw/zinc/13/58/39/1429135839.db2.gz JWAYPAOPQWSQFL-UHFFFAOYSA-N 1 0 380.419 3.257 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1C#N ZINC000133590976 1416913517 /nfs/dbraw/zinc/91/35/17/1416913517.db2.gz FCJZLUPKIUJQGK-KBPBESRZSA-N 1 0 392.290 3.482 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(C)cc1 ZINC000133595905 1416914214 /nfs/dbraw/zinc/91/42/14/1416914214.db2.gz OBYVSGFZVIRQKG-OAHLLOKOSA-O 1 0 385.509 3.396 20 30 GGEDRO C[N@H+](CCCNC(=O)CCCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000133635208 1416926170 /nfs/dbraw/zinc/92/61/70/1416926170.db2.gz YCSGDBYFOCMVLU-UHFFFAOYSA-N 1 0 392.503 3.305 20 30 GGEDRO COC(=O)c1cccc(C(=O)C(C(=S)NCC2CCC2)[n+]2ccccc2)c1 ZINC000133639730 1416927730 /nfs/dbraw/zinc/92/77/30/1416927730.db2.gz HOEDVCQVUPMNMC-UHFFFAOYSA-O 1 0 383.493 3.089 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Sc3ccccn3)cc2)c1C#N ZINC000133648267 1416930267 /nfs/dbraw/zinc/93/02/67/1416930267.db2.gz MVDBMTSYVIBGCC-UHFFFAOYSA-N 1 0 392.488 3.232 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(OC(F)F)c1 ZINC000133708315 1416948099 /nfs/dbraw/zinc/94/80/99/1416948099.db2.gz OKAZFDZUQZRBAE-WMLDXEAASA-N 1 0 376.403 3.445 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(OC(F)F)c1 ZINC000133708170 1416948283 /nfs/dbraw/zinc/94/82/83/1416948283.db2.gz OKAZFDZUQZRBAE-PBHICJAKSA-N 1 0 376.403 3.445 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(OC(F)F)c1 ZINC000133707988 1416948298 /nfs/dbraw/zinc/94/82/98/1416948298.db2.gz OKAZFDZUQZRBAE-YOEHRIQHSA-N 1 0 376.403 3.445 20 30 GGEDRO C=CCOc1cc(OC)ccc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000133939883 1416999293 /nfs/dbraw/zinc/99/92/93/1416999293.db2.gz YPHRDWUZFLHBLE-UHFFFAOYSA-N 1 0 388.508 3.025 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc2ccccc2o1 ZINC000133989741 1417006600 /nfs/dbraw/zinc/00/66/00/1417006600.db2.gz QTWPMULSAGDDPN-UHFFFAOYSA-N 1 0 383.473 3.057 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000178726713 1429153079 /nfs/dbraw/zinc/15/30/79/1429153079.db2.gz NNGBUWCOMYQWGH-KURKYZTESA-N 1 0 398.551 3.476 20 30 GGEDRO COc1ccc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2cccc(C)c2)cc1 ZINC000134152759 1417030469 /nfs/dbraw/zinc/03/04/69/1417030469.db2.gz PHDIYLBMVUDSQY-LJQANCHMSA-O 1 0 399.536 3.389 20 30 GGEDRO O=C(c1ccc2c(c1)CCO2)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134208359 1417037875 /nfs/dbraw/zinc/03/78/75/1417037875.db2.gz RTKJEKXASDHBES-GOSISDBHSA-O 1 0 397.520 3.007 20 30 GGEDRO COc1ccc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccccc2)cc1 ZINC000134218632 1417039188 /nfs/dbraw/zinc/03/91/88/1417039188.db2.gz PSSMDAJHFCIZRZ-GOSISDBHSA-O 1 0 385.509 3.080 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134218381 1417039342 /nfs/dbraw/zinc/03/93/42/1417039342.db2.gz XGTCDTUOMYIVKV-KRWDZBQOSA-O 1 0 399.536 3.389 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(OC2CCC2)c1 ZINC000134218895 1417039807 /nfs/dbraw/zinc/03/98/07/1417039807.db2.gz RSMJGKIUSLZJQH-UHFFFAOYSA-N 1 0 378.476 3.089 20 30 GGEDRO O=C(c1cc(F)ccc1F)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134222231 1417040129 /nfs/dbraw/zinc/04/01/29/1417040129.db2.gz JDQJWYSFQONDCY-HNNXBMFYSA-O 1 0 391.463 3.350 20 30 GGEDRO CC(C)(CNC(=O)Cc1cccc(OCC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000134456531 1417071264 /nfs/dbraw/zinc/07/12/64/1417071264.db2.gz NWZGSTZEVRYQDA-UHFFFAOYSA-N 1 0 377.488 3.085 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c(-c2ccccc2)n1 ZINC000134547065 1417085592 /nfs/dbraw/zinc/08/55/92/1417085592.db2.gz UNYQXOSVHFXXHH-OAQYLSRUSA-N 1 0 391.519 3.344 20 30 GGEDRO COc1ccc(C[C@H](C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1OC ZINC000134547353 1417085626 /nfs/dbraw/zinc/08/56/26/1417085626.db2.gz PLLQHMRZZGKPMP-YJBOKZPZSA-N 1 0 383.492 3.311 20 30 GGEDRO CS[C@@H]1CCCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000134557950 1417087182 /nfs/dbraw/zinc/08/71/82/1417087182.db2.gz YQPZKMDXDLOHNJ-QGZVFWFLSA-N 1 0 384.467 3.391 20 30 GGEDRO CN(C)c1ccc(C(N)=[NH+]OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000134684560 1417112157 /nfs/dbraw/zinc/11/21/57/1417112157.db2.gz AFYVDNUAXHLDIE-UHFFFAOYSA-N 1 0 381.392 3.153 20 30 GGEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000134772699 1417123398 /nfs/dbraw/zinc/12/33/98/1417123398.db2.gz QFUCWBFCCBPUBT-IIBYNOLFSA-N 1 0 397.450 3.213 20 30 GGEDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000134798023 1417127124 /nfs/dbraw/zinc/12/71/24/1417127124.db2.gz UYCQEVMSMXPURF-UXHICEINSA-N 1 0 387.499 3.398 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134805028 1417129160 /nfs/dbraw/zinc/12/91/60/1417129160.db2.gz CBXUSRJKEPMKOC-XPNTWCBSSA-N 1 0 398.478 3.220 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134876711 1417137959 /nfs/dbraw/zinc/13/79/59/1417137959.db2.gz JSJQOPFTCBUGOF-SPYBWZPUSA-N 1 0 398.576 3.384 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CCC2 ZINC000134888629 1417140092 /nfs/dbraw/zinc/14/00/92/1417140092.db2.gz WRWZQRJGXUHLQN-DNVCBOLYSA-N 1 0 398.576 3.386 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000134901095 1417141915 /nfs/dbraw/zinc/14/19/15/1417141915.db2.gz YEFDFDVBJQXAII-OFNKIYASSA-N 1 0 394.563 3.499 20 30 GGEDRO C=C(Br)CNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000135013530 1417160825 /nfs/dbraw/zinc/16/08/25/1417160825.db2.gz KKCHIYOYYJUDNK-ZIAGYGMSSA-N 1 0 380.330 3.351 20 30 GGEDRO Cc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)c(OCC[NH+](C)C)c1 ZINC000135038816 1417165842 /nfs/dbraw/zinc/16/58/42/1417165842.db2.gz FOCWPCIPVPLSPV-UHFFFAOYSA-N 1 0 381.480 3.278 20 30 GGEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000135111575 1417172915 /nfs/dbraw/zinc/17/29/15/1417172915.db2.gz NAJODSVYEZZYIW-UHFFFAOYSA-N 1 0 397.544 3.431 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1C#N ZINC000135174618 1417181092 /nfs/dbraw/zinc/18/10/92/1417181092.db2.gz NXSFOIUOBWURJC-UHFFFAOYSA-N 1 0 384.867 3.466 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1C#N ZINC000135176931 1417181908 /nfs/dbraw/zinc/18/19/08/1417181908.db2.gz DPYAYUPVLGDDAX-UHFFFAOYSA-N 1 0 383.517 3.199 20 30 GGEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000135252436 1417197468 /nfs/dbraw/zinc/19/74/68/1417197468.db2.gz QDIJKCVFJUAABG-SFHVURJKSA-N 1 0 396.466 3.414 20 30 GGEDRO N#CCOc1cc(F)ccc1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000135287862 1417203551 /nfs/dbraw/zinc/20/35/51/1417203551.db2.gz MPRFKGYYOTZLND-UHFFFAOYSA-N 1 0 382.439 3.468 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@H]2CCOC2)c1C#N ZINC000178787321 1429169865 /nfs/dbraw/zinc/16/98/65/1429169865.db2.gz XZZNCIHXKDVRPS-MRXNPFEDSA-N 1 0 384.455 3.012 20 30 GGEDRO N#CCC[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000178774722 1429166275 /nfs/dbraw/zinc/16/62/75/1429166275.db2.gz BMLMBKGAZCZBJX-OAQYLSRUSA-N 1 0 377.492 3.390 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(F)cc2OCC#N)[NH+](C)C)c1 ZINC000135299028 1417204807 /nfs/dbraw/zinc/20/48/07/1417204807.db2.gz KPZCBLIEESJZRP-GOSISDBHSA-N 1 0 386.427 3.161 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCS[C@H]3COCC[C@@H]32)sc2c1CCCC2 ZINC000135535050 1417234493 /nfs/dbraw/zinc/23/44/93/1417234493.db2.gz PDIGUDYXNPFHMF-RDJZCZTQSA-N 1 0 391.562 3.033 20 30 GGEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C[C@@H]1CCOC1 ZINC000178783616 1429169161 /nfs/dbraw/zinc/16/91/61/1429169161.db2.gz SVNYXDWNOYBVSZ-KRWDZBQOSA-N 1 0 392.503 3.135 20 30 GGEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000135720190 1417261868 /nfs/dbraw/zinc/26/18/68/1417261868.db2.gz SISQKCHTXNFENB-OAQYLSRUSA-N 1 0 395.528 3.225 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)cc1OC ZINC000135945463 1417280174 /nfs/dbraw/zinc/28/01/74/1417280174.db2.gz MFYNTVJUSGYOCX-IBGZPJMESA-N 1 0 386.492 3.325 20 30 GGEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000136101936 1417292022 /nfs/dbraw/zinc/29/20/22/1417292022.db2.gz CMPSVPSBAQHGAI-UHFFFAOYSA-N 1 0 396.466 3.006 20 30 GGEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CN(Cc2ccccc2)C1 ZINC000136390039 1417313284 /nfs/dbraw/zinc/31/32/84/1417313284.db2.gz DFVPIILYIQKYIR-AUSIDOKSSA-N 1 0 389.547 3.422 20 30 GGEDRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1C#N ZINC000136495839 1417321133 /nfs/dbraw/zinc/32/11/33/1417321133.db2.gz LAXDKPLYSZTCIF-INIZCTEOSA-N 1 0 394.393 3.406 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@@H]2CCOC2)c1 ZINC000136521062 1417323304 /nfs/dbraw/zinc/32/33/04/1417323304.db2.gz FYCPCVUKVAPIHK-SFHVURJKSA-O 1 0 383.537 3.464 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136520806 1417323522 /nfs/dbraw/zinc/32/35/22/1417323522.db2.gz RAMHWDDUIPXMJY-MRXNPFEDSA-O 1 0 387.500 3.241 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136543995 1417324830 /nfs/dbraw/zinc/32/48/30/1417324830.db2.gz HEAPDMWMWKJFSW-KRWDZBQOSA-O 1 0 386.541 3.046 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000136656307 1417335956 /nfs/dbraw/zinc/33/59/56/1417335956.db2.gz CPRRRQUYHYNSPG-WMZOPIPTSA-N 1 0 379.426 3.183 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136867930 1417351640 /nfs/dbraw/zinc/35/16/40/1417351640.db2.gz ZRTQJGKTWZLCNR-GOSISDBHSA-N 1 0 389.499 3.456 20 30 GGEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000136887801 1417352499 /nfs/dbraw/zinc/35/24/99/1417352499.db2.gz PDMBEDWNPXDREB-UHFFFAOYSA-N 1 0 380.444 3.126 20 30 GGEDRO N#Cc1ccc(CC(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000178813849 1429179177 /nfs/dbraw/zinc/17/91/77/1429179177.db2.gz ZFBXTOXSDNUQQM-OAQYLSRUSA-N 1 0 385.471 3.383 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=S)NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000138713833 1417435554 /nfs/dbraw/zinc/43/55/54/1417435554.db2.gz BXKPARHKZGDYNL-IBGZPJMESA-N 1 0 386.565 3.272 20 30 GGEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)COc1ccccc1C#N ZINC000138970043 1417444470 /nfs/dbraw/zinc/44/44/70/1417444470.db2.gz VMMRWTSLKXPTEC-UHFFFAOYSA-N 1 0 381.501 3.433 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000139574889 1417464526 /nfs/dbraw/zinc/46/45/26/1417464526.db2.gz SALHKBYPLQKJMJ-MSOLQXFVSA-N 1 0 382.508 3.068 20 30 GGEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C#N ZINC000140053856 1417486716 /nfs/dbraw/zinc/48/67/16/1417486716.db2.gz RSYDGFGYZDVPHT-WIYYLYMNSA-N 1 0 397.567 3.446 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)CC[C@@H]21 ZINC000140081518 1417487391 /nfs/dbraw/zinc/48/73/91/1417487391.db2.gz UDEBQSPFUOTZKV-HAMDTZRPSA-N 1 0 396.535 3.374 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140219305 1417492530 /nfs/dbraw/zinc/49/25/30/1417492530.db2.gz WAHCIYRVHPVEQI-SJLPKXTDSA-N 1 0 383.517 3.415 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1Cl ZINC000141105972 1417526625 /nfs/dbraw/zinc/52/66/25/1417526625.db2.gz MKAOGMJQIJWQRQ-INIZCTEOSA-N 1 0 389.805 3.175 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000141329841 1417533908 /nfs/dbraw/zinc/53/39/08/1417533908.db2.gz VEFLPHKPKFEGPD-OAQYLSRUSA-N 1 0 375.472 3.448 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000141679668 1417550319 /nfs/dbraw/zinc/55/03/19/1417550319.db2.gz QHCLWPCKUQWIQN-UHFFFAOYSA-N 1 0 386.565 3.387 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000143186623 1417619336 /nfs/dbraw/zinc/61/93/36/1417619336.db2.gz JOLJWKWZPLTSJF-HXUWFJFHSA-N 1 0 393.487 3.207 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000144765821 1417671779 /nfs/dbraw/zinc/67/17/79/1417671779.db2.gz YDBWONRWQYMRRI-LJQANCHMSA-N 1 0 398.532 3.418 20 30 GGEDRO CCCCCCCCc1nnc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)s1 ZINC000150697761 1417789243 /nfs/dbraw/zinc/78/92/43/1417789243.db2.gz JSYNWAOPRRYHLO-UHFFFAOYSA-N 1 0 391.545 3.209 20 30 GGEDRO C=CCOc1ccccc1CN(C(=O)[C@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000150727933 1417792635 /nfs/dbraw/zinc/79/26/35/1417792635.db2.gz BNXLUNTXIKGNFW-KRWDZBQOSA-N 1 0 394.471 3.165 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1Cl ZINC000150753882 1417799641 /nfs/dbraw/zinc/79/96/41/1417799641.db2.gz ZUVIIKXILBGDGN-SFHVURJKSA-N 1 0 388.943 3.313 20 30 GGEDRO N#Cc1c(NC(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)sc2c1CCCCC2 ZINC000150755654 1417800200 /nfs/dbraw/zinc/80/02/00/1417800200.db2.gz JCZKUEHGYQBHHW-INIZCTEOSA-N 1 0 386.565 3.245 20 30 GGEDRO C=CCCO[C@H](C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000150878140 1417826621 /nfs/dbraw/zinc/82/66/21/1417826621.db2.gz UQHYEVHCQFBTKH-OAHLLOKOSA-N 1 0 399.457 3.055 20 30 GGEDRO C[NH+](C)CC1CCN(c2ccc(Nc3nccc(C#N)c3[N+](=O)[O-])cc2)CC1 ZINC000150878377 1417826736 /nfs/dbraw/zinc/82/67/36/1417826736.db2.gz KUHXZKMVCBEPJK-UHFFFAOYSA-N 1 0 380.452 3.383 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)COc1ccccc1C#N ZINC000150904762 1417831995 /nfs/dbraw/zinc/83/19/95/1417831995.db2.gz YYTUHWJYMQGTSS-ROUUACIJSA-N 1 0 377.488 3.210 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000150985736 1417849680 /nfs/dbraw/zinc/84/96/80/1417849680.db2.gz RJFQAZVVPVCXGV-INIZCTEOSA-N 1 0 376.460 3.481 20 30 GGEDRO C#Cc1cccc(N(CC(=O)NC2CC[NH+](CC)CC2)Cc2cccs2)c1 ZINC000151008190 1417854530 /nfs/dbraw/zinc/85/45/30/1417854530.db2.gz CBBRJSIJFCYKQW-UHFFFAOYSA-N 1 0 381.545 3.337 20 30 GGEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000151031632 1417858996 /nfs/dbraw/zinc/85/89/96/1417858996.db2.gz ORINNTHHZICBCD-UHFFFAOYSA-N 1 0 375.469 3.018 20 30 GGEDRO C=CCOc1ccccc1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000151107450 1417873346 /nfs/dbraw/zinc/87/33/46/1417873346.db2.gz YUPLFZAIJQYQJD-UHFFFAOYSA-N 1 0 380.444 3.413 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000151112933 1417874731 /nfs/dbraw/zinc/87/47/31/1417874731.db2.gz HKQQNXUCUMCJKC-FPOVZHCZSA-N 1 0 381.520 3.292 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)NCc2cccc(OCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000151120503 1417876223 /nfs/dbraw/zinc/87/62/23/1417876223.db2.gz BVNKKHFGGUEVAC-PXNSSMCTSA-N 1 0 378.476 3.051 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000151189148 1417890578 /nfs/dbraw/zinc/89/05/78/1417890578.db2.gz FFBCXMCORDJZHU-LJQANCHMSA-N 1 0 379.508 3.247 20 30 GGEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000151200104 1417892792 /nfs/dbraw/zinc/89/27/92/1417892792.db2.gz BASWRZFLQIDWKX-HNNXBMFYSA-N 1 0 387.480 3.201 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCCC1 ZINC000151225813 1417897508 /nfs/dbraw/zinc/89/75/08/1417897508.db2.gz QEEWCWLRQNQTCO-GOSISDBHSA-N 1 0 385.414 3.412 20 30 GGEDRO CCOCCOc1cc(C)ccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000151252473 1417904236 /nfs/dbraw/zinc/90/42/36/1417904236.db2.gz RUDKANRGSBSUCL-LJQANCHMSA-N 1 0 383.492 3.338 20 30 GGEDRO CCOCCOc1cc(C)ccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000151252539 1417904465 /nfs/dbraw/zinc/90/44/65/1417904465.db2.gz RUDKANRGSBSUCL-IBGZPJMESA-N 1 0 383.492 3.338 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)[NH+](C)C)cc1 ZINC000151326914 1417927016 /nfs/dbraw/zinc/92/70/16/1417927016.db2.gz MVXNQJSXHVMUSR-OAQYLSRUSA-N 1 0 392.503 3.395 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccco1 ZINC000151328379 1417927407 /nfs/dbraw/zinc/92/74/07/1417927407.db2.gz YGLRMQLDDUTXKP-LJQANCHMSA-N 1 0 396.491 3.459 20 30 GGEDRO N#CCC[C@@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000151355941 1417934891 /nfs/dbraw/zinc/93/48/91/1417934891.db2.gz AVDJOWPYRHYVMX-OAQYLSRUSA-N 1 0 384.524 3.318 20 30 GGEDRO COc1cc([C@H](C)[NH2+]Cc2cccc(C#N)c2)ccc1S(=O)(=O)C(F)F ZINC000151384704 1417943794 /nfs/dbraw/zinc/94/37/94/1417943794.db2.gz ORQMQQDWGPRXCQ-LBPRGKRZSA-N 1 0 380.416 3.414 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000151558359 1418023774 /nfs/dbraw/zinc/02/37/74/1418023774.db2.gz DRKOEIMQLRBEQE-LJQANCHMSA-N 1 0 387.524 3.409 20 30 GGEDRO C#CCOc1ccc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000151754200 1418078871 /nfs/dbraw/zinc/07/88/71/1418078871.db2.gz ARBZSERVOHKXQE-UHFFFAOYSA-N 1 0 377.488 3.481 20 30 GGEDRO Cc1cc(C(O)=CONC(=[NH2+])c2ccc3c(c2)CCO3)c(C)n1Cc1ccco1 ZINC000178977185 1429233376 /nfs/dbraw/zinc/23/33/76/1429233376.db2.gz NOCAIRQVKCIEQP-UHFFFAOYSA-N 1 0 393.443 3.201 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CC1(O)CCCC1 ZINC000152005273 1418117857 /nfs/dbraw/zinc/11/78/57/1418117857.db2.gz DPSIPTKIVJCZSX-CQSZACIVSA-N 1 0 375.538 3.453 20 30 GGEDRO C[NH+]=C(NCc1ccc(OC(F)F)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000178987661 1429235287 /nfs/dbraw/zinc/23/52/87/1429235287.db2.gz ZNBAFQLSKSOMRT-BBWFWOEESA-N 1 0 379.451 3.301 20 30 GGEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000152051939 1418130997 /nfs/dbraw/zinc/13/09/97/1418130997.db2.gz HGEMSSIDKHTHGU-KRWDZBQOSA-N 1 0 377.492 3.320 20 30 GGEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000152054646 1418131767 /nfs/dbraw/zinc/13/17/67/1418131767.db2.gz RTMHCOZQSPVICH-LJQANCHMSA-N 1 0 382.508 3.048 20 30 GGEDRO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000152070405 1418137141 /nfs/dbraw/zinc/13/71/41/1418137141.db2.gz GZACNEDLXSOZGC-IBGZPJMESA-N 1 0 399.466 3.176 20 30 GGEDRO CC[C@H](c1ccc(F)cc1F)N1CCN(C(NCc2cc(C)no2)=[NH+]C)CC1 ZINC000179068058 1429253988 /nfs/dbraw/zinc/25/39/88/1429253988.db2.gz UNUCRCYQEKJYFS-LJQANCHMSA-N 1 0 391.466 3.106 20 30 GGEDRO COC(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000179147656 1429277980 /nfs/dbraw/zinc/27/79/80/1429277980.db2.gz HPSRLJBMVGCSHP-CQSZACIVSA-N 1 0 389.521 3.245 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000179197468 1429291892 /nfs/dbraw/zinc/29/18/92/1429291892.db2.gz WBZASMSKUODCLU-INIZCTEOSA-N 1 0 397.306 3.158 20 30 GGEDRO C[NH+]=C(NCc1ccc(Br)c(F)c1)N(C)CCC1CCOCC1 ZINC000179207846 1429294909 /nfs/dbraw/zinc/29/49/09/1429294909.db2.gz JLFWYPUWMRICLH-UHFFFAOYSA-N 1 0 386.309 3.412 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1OCCCC#N ZINC000179344194 1429336282 /nfs/dbraw/zinc/33/62/82/1429336282.db2.gz UEJFXIHHIQZCJH-IBGZPJMESA-N 1 0 385.508 3.116 20 30 GGEDRO COC(=O)[C@H](c1cccc(C#N)c1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389435 1429354367 /nfs/dbraw/zinc/35/43/67/1429354367.db2.gz LXOFLVYJYCNXNH-QFIPXVFZSA-N 1 0 392.503 3.406 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000179470546 1429386254 /nfs/dbraw/zinc/38/62/54/1429386254.db2.gz YYAUBPQQLAKJOH-LEWJYISDSA-N 1 0 393.487 3.142 20 30 GGEDRO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000179665364 1429497876 /nfs/dbraw/zinc/49/78/76/1429497876.db2.gz UBQBIGLXGCQYBL-GCJKJVERSA-N 1 0 394.494 3.194 20 30 GGEDRO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000179665447 1429497944 /nfs/dbraw/zinc/49/79/44/1429497944.db2.gz ZXARXRLFCJZURI-IEBWSBKVSA-N 1 0 382.533 3.116 20 30 GGEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000179698191 1429511345 /nfs/dbraw/zinc/51/13/45/1429511345.db2.gz NPSBRARTOHPWHS-KNQAVFIVSA-N 1 0 394.544 3.198 20 30 GGEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000179698180 1429511743 /nfs/dbraw/zinc/51/17/43/1429511743.db2.gz NPSBRARTOHPWHS-SIKLNZKXSA-N 1 0 394.544 3.198 20 30 GGEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000179727269 1429524771 /nfs/dbraw/zinc/52/47/71/1429524771.db2.gz COXYWJYBKIHLSB-LJQANCHMSA-N 1 0 381.476 3.275 20 30 GGEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H]([NH+](C)C)C2)c1=S ZINC000152312611 1422069944 /nfs/dbraw/zinc/06/99/44/1422069944.db2.gz SQQQQPGNJIEKKY-KRWDZBQOSA-N 1 0 375.517 3.390 20 30 GGEDRO COCCC[N@H+](C)CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000152322035 1422072167 /nfs/dbraw/zinc/07/21/67/1422072167.db2.gz VIIIULRLHWEUGP-UHFFFAOYSA-N 1 0 385.439 3.188 20 30 GGEDRO C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H]([NH+](C)C)C2)c1=S ZINC000152327448 1422073536 /nfs/dbraw/zinc/07/35/36/1422073536.db2.gz KUZBNJIWLIBDOC-OAHLLOKOSA-N 1 0 375.517 3.390 20 30 GGEDRO COC(=O)CC1([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCOCC1 ZINC000152533178 1422133503 /nfs/dbraw/zinc/13/35/03/1422133503.db2.gz DFRCTVQIELNDKN-UHFFFAOYSA-N 1 0 394.471 3.339 20 30 GGEDRO C[C@H](O)C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000152575901 1422149773 /nfs/dbraw/zinc/14/97/73/1422149773.db2.gz IJKNRQIOKGFUKW-KKUMJFAQSA-N 1 0 375.538 3.451 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1C#N ZINC000152576879 1422150653 /nfs/dbraw/zinc/15/06/53/1422150653.db2.gz ZKHCYDBKHJGVLU-KDOFPFPSSA-N 1 0 398.482 3.279 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000179747212 1429535158 /nfs/dbraw/zinc/53/51/58/1429535158.db2.gz SYRHHRNFTUNEJL-QFIPXVFZSA-N 1 0 377.444 3.399 20 30 GGEDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000179753073 1429539801 /nfs/dbraw/zinc/53/98/01/1429539801.db2.gz XVXNFPBUTFZLAV-LHSJRXKWSA-N 1 0 377.444 3.397 20 30 GGEDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000179753085 1429539920 /nfs/dbraw/zinc/53/99/20/1429539920.db2.gz XVXNFPBUTFZLAV-SPLOXXLWSA-N 1 0 377.444 3.397 20 30 GGEDRO C=CCOc1cccc(NC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000152835122 1422265868 /nfs/dbraw/zinc/26/58/68/1422265868.db2.gz BHVOMPKNSPTVHQ-OALUTQOASA-N 1 0 386.540 3.274 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000152931294 1422300034 /nfs/dbraw/zinc/30/00/34/1422300034.db2.gz OZCOGTZUZJCLIN-MRXNPFEDSA-N 1 0 375.513 3.051 20 30 GGEDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1C#N ZINC000179762912 1429546607 /nfs/dbraw/zinc/54/66/07/1429546607.db2.gz OKCWNCNICGNFAG-SZNDQCEHSA-N 1 0 377.444 3.397 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C#N)c1C ZINC000179767657 1429549448 /nfs/dbraw/zinc/54/94/48/1429549448.db2.gz YFQAFFOKVIYDSB-ZDUSSCGKSA-N 1 0 380.448 3.406 20 30 GGEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000153086237 1422351525 /nfs/dbraw/zinc/35/15/25/1422351525.db2.gz JVJOXTCWDHKVIQ-FQEVSTJZSA-N 1 0 387.867 3.046 20 30 GGEDRO N#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)[nH]1 ZINC000153301260 1422453213 /nfs/dbraw/zinc/45/32/13/1422453213.db2.gz TZGYBMVESOCHTJ-UHFFFAOYSA-N 1 0 376.382 3.253 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153315560 1422463328 /nfs/dbraw/zinc/46/33/28/1422463328.db2.gz YAIDVHXHUGYDTQ-FQEVSTJZSA-N 1 0 381.432 3.065 20 30 GGEDRO 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COc1cc(/C=C/C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OCC#N ZINC000153376445 1422505065 /nfs/dbraw/zinc/50/50/65/1422505065.db2.gz WLBLKFXDYHCVMZ-BYFYMVKISA-N 1 0 395.503 3.086 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(CC#N)C2CCCC2)c1=S ZINC000153419720 1422525063 /nfs/dbraw/zinc/52/50/63/1422525063.db2.gz NDAQVFTWZFFMKE-UHFFFAOYSA-N 1 0 388.585 3.354 20 30 GGEDRO COC(=O)c1c(NC(=O)N(CCC#N)CCC[NH+](C)C)sc2c1CCCC2 ZINC000153541111 1422597822 /nfs/dbraw/zinc/59/78/22/1422597822.db2.gz KACIETKCIVSRIB-UHFFFAOYSA-N 1 0 392.525 3.113 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CCSC2(CCCCC2)C1 ZINC000153567931 1422622798 /nfs/dbraw/zinc/62/27/98/1422622798.db2.gz JTMLNRNNAXXAKQ-UHFFFAOYSA-N 1 0 398.580 3.403 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000153597080 1422639960 /nfs/dbraw/zinc/63/99/60/1422639960.db2.gz BFAOEGUFBXKKIQ-UHFFFAOYSA-N 1 0 395.507 3.014 20 30 GGEDRO C=CCn1c(=S)n(CN2CC[NH+](CC3CC3)CC2)nc1-c1cccs1 ZINC000153600975 1422641620 /nfs/dbraw/zinc/64/16/20/1422641620.db2.gz QPWLLULCGAUERE-UHFFFAOYSA-N 1 0 375.567 3.314 20 30 GGEDRO C=CCn1c(COc2ccccc2)nn(CN2CC[NH+](CC3CC3)CC2)c1=S ZINC000153600842 1422642184 /nfs/dbraw/zinc/64/21/84/1422642184.db2.gz IKSSZQOMBFGJQX-UHFFFAOYSA-N 1 0 399.564 3.164 20 30 GGEDRO COC(=O)[C@H](C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000153753168 1422737412 /nfs/dbraw/zinc/73/74/12/1422737412.db2.gz PSADPLYMYRQFJF-CYBMUJFWSA-N 1 0 389.521 3.101 20 30 GGEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000154098222 1422840102 /nfs/dbraw/zinc/84/01/02/1422840102.db2.gz UYLORPKABMAEMO-IBGZPJMESA-N 1 0 384.524 3.294 20 30 GGEDRO CC(C)CSCCCON=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000154318138 1422872004 /nfs/dbraw/zinc/87/20/04/1422872004.db2.gz HNMYCLQQHQMYRZ-UHFFFAOYSA-N 1 0 379.570 3.060 20 30 GGEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000154381062 1422881330 /nfs/dbraw/zinc/88/13/30/1422881330.db2.gz OPCKIWVPTKNQNK-LJQANCHMSA-N 1 0 396.878 3.103 20 30 GGEDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000154454434 1422890790 /nfs/dbraw/zinc/89/07/90/1422890790.db2.gz WAMUSVWRCFCFGE-IBGZPJMESA-N 1 0 379.460 3.273 20 30 GGEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+]1CCCCCC1 ZINC000154465327 1422892295 /nfs/dbraw/zinc/89/22/95/1422892295.db2.gz FDJVRDNDGSBNNB-GOSISDBHSA-N 1 0 390.915 3.167 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)CC(C)C ZINC000154467051 1422892593 /nfs/dbraw/zinc/89/25/93/1422892593.db2.gz PWDVQZZIPSSJBV-OAHLLOKOSA-N 1 0 378.904 3.023 20 30 GGEDRO c1coc(CC[NH+]=C(N[C@@H]2CCc3ccccc3C2)N2CC[C@]3(CCOC3)C2)c1 ZINC000154480700 1422894573 /nfs/dbraw/zinc/89/45/73/1422894573.db2.gz NHHVIFDFYYCMLS-QPPBQGQZSA-N 1 0 393.531 3.438 20 30 GGEDRO c1coc(CC[NH+]=C(N[C@@H]2CCc3ccccc3C2)N2CC[C@@]3(CCOC3)C2)c1 ZINC000154480901 1422894617 /nfs/dbraw/zinc/89/46/17/1422894617.db2.gz NHHVIFDFYYCMLS-ZJSXRUAMSA-N 1 0 393.531 3.438 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000154513267 1422898880 /nfs/dbraw/zinc/89/88/80/1422898880.db2.gz CZXNYZPEBSVEFV-HNNXBMFYSA-O 1 0 386.541 3.376 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000154535575 1422908926 /nfs/dbraw/zinc/90/89/26/1422908926.db2.gz MVZDPCCAPCAGSQ-GJZGRUSLSA-N 1 0 390.915 3.024 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000154535675 1422909283 /nfs/dbraw/zinc/90/92/83/1422909283.db2.gz MVZDPCCAPCAGSQ-HUUCEWRRSA-N 1 0 390.915 3.024 20 30 GGEDRO Cc1oc(NC(=O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c(C#N)c1C ZINC000154612432 1422962392 /nfs/dbraw/zinc/96/23/92/1422962392.db2.gz ZSKBRZAWNSHSSR-FQEVSTJZSA-N 1 0 381.476 3.469 20 30 GGEDRO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000154674421 1422996416 /nfs/dbraw/zinc/99/64/16/1422996416.db2.gz DVHOSUCWNWFPFE-UHFFFAOYSA-N 1 0 384.524 3.346 20 30 GGEDRO COc1cccc2c1CC[C@H]2NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000154715627 1423010075 /nfs/dbraw/zinc/01/00/75/1423010075.db2.gz PYGLVYKNVPUMMY-OAQYLSRUSA-N 1 0 392.503 3.328 20 30 GGEDRO CC1([C@@H]2CCCN(C(NCCc3ccco3)=[NH+]C3CCCC3)C2)OCCO1 ZINC000154744913 1423019698 /nfs/dbraw/zinc/01/96/98/1423019698.db2.gz HLCVZHMLJZHGMZ-QGZVFWFLSA-N 1 0 375.513 3.185 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](C)C2CCOCC2)c1C#N ZINC000179862905 1429614496 /nfs/dbraw/zinc/61/44/96/1429614496.db2.gz HLJBVAVVLQUBTD-OAHLLOKOSA-N 1 0 398.482 3.448 20 30 GGEDRO COc1ccc(C[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000155117245 1423176380 /nfs/dbraw/zinc/17/63/80/1423176380.db2.gz WJGVUYKVYXFRKI-SFHVURJKSA-N 1 0 379.504 3.336 20 30 GGEDRO C[NH+]=C(NCc1c(C)nn(C)c1C)N(C)Cc1ccccc1Br ZINC000155134002 1423188868 /nfs/dbraw/zinc/18/88/68/1423188868.db2.gz LUPJBNLJYBVZDW-UHFFFAOYSA-N 1 0 378.318 3.007 20 30 GGEDRO COc1ccc(OCC[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000179887352 1429625446 /nfs/dbraw/zinc/62/54/46/1429625446.db2.gz SWFCJUWMFUTIAZ-UHFFFAOYSA-N 1 0 376.460 3.478 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000155161789 1423204239 /nfs/dbraw/zinc/20/42/39/1423204239.db2.gz BSVHQSNXQHFIHL-FQEVSTJZSA-N 1 0 394.515 3.260 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)C2CCOCC2)c1C#N ZINC000179882568 1429623362 /nfs/dbraw/zinc/62/33/62/1429623362.db2.gz ASACXZLQIOJPCE-OAHLLOKOSA-N 1 0 398.482 3.448 20 30 GGEDRO COc1cccc(N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000179883776 1429623574 /nfs/dbraw/zinc/62/35/74/1429623574.db2.gz URDWCWWXUMFGQJ-UHFFFAOYSA-N 1 0 387.487 3.290 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000155190057 1423230259 /nfs/dbraw/zinc/23/02/59/1423230259.db2.gz NJKPVSVUWNNKFP-UHFFFAOYSA-N 1 0 398.894 3.260 20 30 GGEDRO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cccc(C[NH+](C)C)c2)C1=O ZINC000155517729 1423396335 /nfs/dbraw/zinc/39/63/35/1423396335.db2.gz ZYLKVFFHWKELCK-NRFANRHFSA-N 1 0 388.512 3.064 20 30 GGEDRO C=CCn1c(C)nn(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1=S ZINC000179918026 1429640060 /nfs/dbraw/zinc/64/00/60/1429640060.db2.gz CMACWJWKCLKDKX-UHFFFAOYSA-N 1 0 386.569 3.500 20 30 GGEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1 ZINC000155716913 1423502491 /nfs/dbraw/zinc/50/24/91/1423502491.db2.gz LDKWATXYAYCLGF-AWEZNQCLSA-N 1 0 398.894 3.396 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl ZINC000155721427 1423504439 /nfs/dbraw/zinc/50/44/39/1423504439.db2.gz BRWBTULNKCUMOY-QGZVFWFLSA-N 1 0 396.878 3.161 20 30 GGEDRO Cn1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179944545 1429655341 /nfs/dbraw/zinc/65/53/41/1429655341.db2.gz IKLXJSUSCDAWCO-UHFFFAOYSA-N 1 0 391.519 3.183 20 30 GGEDRO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1Cl ZINC000155922986 1423595682 /nfs/dbraw/zinc/59/56/82/1423595682.db2.gz MAMYQMYHOOLGAJ-HXUWFJFHSA-N 1 0 383.879 3.423 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000155964462 1423612117 /nfs/dbraw/zinc/61/21/17/1423612117.db2.gz SLJKSYVFWWPTLJ-FCHUYYIVSA-N 1 0 398.551 3.246 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000155964261 1423612249 /nfs/dbraw/zinc/61/22/49/1423612249.db2.gz SLJKSYVFWWPTLJ-VXKWHMMOSA-N 1 0 398.551 3.246 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1)N(C)C[C@@H]1CCOC1 ZINC000155965745 1423613115 /nfs/dbraw/zinc/61/31/15/1423613115.db2.gz YMTFQIKEJLEOIV-IRXDYDNUSA-N 1 0 378.948 3.018 20 30 GGEDRO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c(C#N)c1C ZINC000155979358 1423618202 /nfs/dbraw/zinc/61/82/02/1423618202.db2.gz KMMAARRAHZRBKP-LJQANCHMSA-N 1 0 383.517 3.448 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000156022146 1423637427 /nfs/dbraw/zinc/63/74/27/1423637427.db2.gz QWQHUWPIDXRKQW-DYESRHJHSA-N 1 0 397.519 3.055 20 30 GGEDRO CCS(=O)(=O)c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000179953571 1429660634 /nfs/dbraw/zinc/66/06/34/1429660634.db2.gz QORAIEHCLYXUJG-UHFFFAOYSA-N 1 0 397.544 3.106 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156104530 1423674369 /nfs/dbraw/zinc/67/43/69/1423674369.db2.gz NPRLFCWVKLCWJM-NHCUHLMSSA-N 1 0 389.515 3.291 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156104638 1423674717 /nfs/dbraw/zinc/67/47/17/1423674717.db2.gz NPRLFCWVKLCWJM-LEWJYISDSA-N 1 0 389.515 3.291 20 30 GGEDRO CC(C)OCCCNC(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156120437 1423680951 /nfs/dbraw/zinc/68/09/51/1423680951.db2.gz CEQLHAZCCWASHX-UHFFFAOYSA-N 1 0 376.928 3.335 20 30 GGEDRO C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156146684 1423694567 /nfs/dbraw/zinc/69/45/67/1423694567.db2.gz JQJKEVXBLMDNQD-SNJCGAMXSA-N 1 0 397.563 3.198 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC3CCOCC3)sc2C1 ZINC000156163393 1423701805 /nfs/dbraw/zinc/70/18/05/1423701805.db2.gz KOVARMSTJQZTQU-CQSZACIVSA-N 1 0 375.538 3.432 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]CC3(c4ccccc4)CCOCC3)C2=O)cc1 ZINC000179971614 1429668262 /nfs/dbraw/zinc/66/82/62/1429668262.db2.gz HMKDUPOGKHWBAV-JOCHJYFZSA-N 1 0 389.499 3.392 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C2CCC(CO)CC2)c1C#N ZINC000156270508 1423752037 /nfs/dbraw/zinc/75/20/37/1423752037.db2.gz GIMGDERJNUFRAT-UHFFFAOYSA-N 1 0 394.519 3.387 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncccc1C(F)(F)F ZINC000179977548 1429671337 /nfs/dbraw/zinc/67/13/37/1429671337.db2.gz DSIMZRBIROWKQY-UHFFFAOYSA-N 1 0 376.382 3.176 20 30 GGEDRO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000156349175 1423791928 /nfs/dbraw/zinc/79/19/28/1423791928.db2.gz VSTOLIRVPXEIKA-LJQANCHMSA-N 1 0 380.467 3.158 20 30 GGEDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000156391958 1423804618 /nfs/dbraw/zinc/80/46/18/1423804618.db2.gz GQEYVKAKDGIKQN-UHFFFAOYSA-N 1 0 390.915 3.024 20 30 GGEDRO C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000156396905 1423805317 /nfs/dbraw/zinc/80/53/17/1423805317.db2.gz ZMXQXJMMRSBKQM-HNNXBMFYSA-N 1 0 377.945 3.357 20 30 GGEDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000156412049 1423807329 /nfs/dbraw/zinc/80/73/29/1423807329.db2.gz QVDJSPPSDPROEI-UHFFFAOYSA-N 1 0 397.422 3.117 20 30 GGEDRO C#CCCOc1ccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000156509643 1423820692 /nfs/dbraw/zinc/82/06/92/1423820692.db2.gz VXKYLSBJQRLFGW-UHFFFAOYSA-N 1 0 391.515 3.398 20 30 GGEDRO Cn1cc(C[N@@H+]2CCCN(c3nccs3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179984624 1429674743 /nfs/dbraw/zinc/67/47/43/1429674743.db2.gz QHRKLXQODKTNIS-UHFFFAOYSA-N 1 0 378.505 3.128 20 30 GGEDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000156643456 1423839891 /nfs/dbraw/zinc/83/98/91/1423839891.db2.gz YGJYUCYCMJPBPB-UHFFFAOYSA-N 1 0 389.443 3.118 20 30 GGEDRO CC(C)[C@H](CC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000156653599 1423841756 /nfs/dbraw/zinc/84/17/56/1423841756.db2.gz HPASJDSRBPVADK-OALUTQOASA-N 1 0 375.513 3.463 20 30 GGEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000156668248 1423844604 /nfs/dbraw/zinc/84/46/04/1423844604.db2.gz BMKRWSQFABAIRH-UHFFFAOYSA-N 1 0 391.515 3.494 20 30 GGEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2-n2nc(C)cc2C)c1 ZINC000156969669 1423895052 /nfs/dbraw/zinc/89/50/52/1423895052.db2.gz GSZJIRBCJHSVFW-UHFFFAOYSA-N 1 0 379.464 3.433 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000156997332 1423899419 /nfs/dbraw/zinc/89/94/19/1423899419.db2.gz HGYBOMXUSNPIEF-SJORKVTESA-N 1 0 377.916 3.439 20 30 GGEDRO Cc1cccc(Cl)c1NC(=O)CO/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000157069590 1423917224 /nfs/dbraw/zinc/91/72/24/1423917224.db2.gz COPZYRDXPDYLQH-LPYMAVHISA-N 1 0 387.867 3.474 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3nc(C4CC4)cs3)CC2)cc1 ZINC000157176209 1423945787 /nfs/dbraw/zinc/94/57/87/1423945787.db2.gz RXADNVAQAMHMHR-UHFFFAOYSA-N 1 0 395.532 3.310 20 30 GGEDRO N#CCC[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000157195689 1423952812 /nfs/dbraw/zinc/95/28/12/1423952812.db2.gz WBHCTTLFRUUDQP-HXUWFJFHSA-N 1 0 384.524 3.366 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000157197139 1423952935 /nfs/dbraw/zinc/95/29/35/1423952935.db2.gz SDXVNFHJJWAEER-UHFFFAOYSA-N 1 0 378.476 3.142 20 30 GGEDRO Fc1ccc(C#CCN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000157320893 1423983985 /nfs/dbraw/zinc/98/39/85/1423983985.db2.gz YHABEIQFQXWWIV-JOCHJYFZSA-N 1 0 392.522 3.106 20 30 GGEDRO C[NH+]=C(NCc1c(C)noc1C)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000157428683 1424009818 /nfs/dbraw/zinc/00/98/18/1424009818.db2.gz LCSDGKRWNVFMRE-UHFFFAOYSA-N 1 0 390.915 3.358 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157458597 1424015099 /nfs/dbraw/zinc/01/50/99/1424015099.db2.gz MXIANLMYGZOEOH-UXHICEINSA-N 1 0 398.551 3.281 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000157479828 1424019581 /nfs/dbraw/zinc/01/95/81/1424019581.db2.gz RODZCRNZUUONTO-UHFFFAOYSA-N 1 0 376.504 3.341 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180015407 1429692346 /nfs/dbraw/zinc/69/23/46/1429692346.db2.gz UFIPWQXQZDSMIO-SFHVURJKSA-N 1 0 381.480 3.058 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)N(C)C3(C#N)CCCCC3)ccc2NC1=O ZINC000180014997 1429692989 /nfs/dbraw/zinc/69/29/89/1429692989.db2.gz ZKYCKXYRRFFPPI-QAPCUYQASA-N 1 0 398.507 3.132 20 30 GGEDRO Cc1cccc(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C#N ZINC000157560341 1424038101 /nfs/dbraw/zinc/03/81/01/1424038101.db2.gz GSGORUZRVQHOPQ-ROUUACIJSA-N 1 0 375.538 3.142 20 30 GGEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC2CCS(=O)(=O)CC2)cc1 ZINC000157616515 1424049959 /nfs/dbraw/zinc/04/99/59/1424049959.db2.gz JJVDRHQUFMJSBW-UHFFFAOYSA-N 1 0 385.533 3.378 20 30 GGEDRO Cc1cccc(S(=O)(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1C#N ZINC000157646276 1424056810 /nfs/dbraw/zinc/05/68/10/1424056810.db2.gz WRBUGVWLVLTSGS-KRWDZBQOSA-N 1 0 383.517 3.371 20 30 GGEDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180017356 1429694663 /nfs/dbraw/zinc/69/46/63/1429694663.db2.gz CQFQLRVRPADQJM-SFHVURJKSA-N 1 0 379.508 3.087 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157706383 1424069764 /nfs/dbraw/zinc/06/97/64/1424069764.db2.gz CHJIIHWVDXAPIM-SFHVURJKSA-N 1 0 396.535 3.308 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000157714348 1424071813 /nfs/dbraw/zinc/07/18/13/1424071813.db2.gz MCRGIBCQBOOLDZ-GOSISDBHSA-N 1 0 381.520 3.110 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000157726433 1424075106 /nfs/dbraw/zinc/07/51/06/1424075106.db2.gz LODXRHYRVSFZSH-SFHVURJKSA-N 1 0 382.504 3.270 20 30 GGEDRO Cn1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180028462 1429702721 /nfs/dbraw/zinc/70/27/21/1429702721.db2.gz MEQWOUBQXVMGMI-FQEVSTJZSA-N 1 0 375.476 3.478 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3sccc3C#N)ccc2NC1=O ZINC000180021495 1429697405 /nfs/dbraw/zinc/69/74/05/1429697405.db2.gz MSLCAGVGURJVII-NHYWBVRUSA-N 1 0 384.461 3.019 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCC(=O)Nc3cccc(C#N)c3)ccc2NC1=O ZINC000180028957 1429703018 /nfs/dbraw/zinc/70/30/18/1429703018.db2.gz AFPISFDNYCBIPR-KUHUBIRLSA-N 1 0 392.459 3.347 20 30 GGEDRO COc1cccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N(C)C)c1 ZINC000180026864 1429701662 /nfs/dbraw/zinc/70/16/62/1429701662.db2.gz OGQBPDTUGHNPGC-QFIPXVFZSA-N 1 0 389.503 3.360 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000158051506 1424149961 /nfs/dbraw/zinc/14/99/61/1424149961.db2.gz JNOYTIRYCKTDRE-IBGZPJMESA-N 1 0 382.460 3.332 20 30 GGEDRO CC[NH+]=C(NCCc1csc(-c2ccccc2)n1)N1CC[C@]2(CCOC2)C1 ZINC000158108431 1424169008 /nfs/dbraw/zinc/16/90/08/1424169008.db2.gz ZFAIXXFFGJWAAH-NRFANRHFSA-N 1 0 384.549 3.431 20 30 GGEDRO CC[NH+]=C(NCc1c(C)nn(Cc2ccccc2)c1C)N1CC[C@@]2(CCOC2)C1 ZINC000158122917 1424172040 /nfs/dbraw/zinc/17/20/40/1424172040.db2.gz GURGPVOYUQIGSC-HSZRJFAPSA-N 1 0 395.551 3.126 20 30 GGEDRO CC[NH+]=C(NCc1c(C)nn(Cc2ccccc2)c1C)N1CC[C@]2(CCOC2)C1 ZINC000158122767 1424172258 /nfs/dbraw/zinc/17/22/58/1424172258.db2.gz GURGPVOYUQIGSC-QHCPKHFHSA-N 1 0 395.551 3.126 20 30 GGEDRO Cn1cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180029654 1429703324 /nfs/dbraw/zinc/70/33/24/1429703324.db2.gz CKKVVDMTUCSVOM-UHFFFAOYSA-N 1 0 393.535 3.083 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000158187148 1424189119 /nfs/dbraw/zinc/18/91/19/1424189119.db2.gz XXHZKRHAYCDARI-FUHWJXTLSA-N 1 0 394.560 3.114 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000158187987 1424189929 /nfs/dbraw/zinc/18/99/29/1424189929.db2.gz MIKNDFFXDVUDAV-MRXNPFEDSA-N 1 0 390.553 3.249 20 30 GGEDRO C=CCC[C@@H]([NH2+]Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)c1ccccc1 ZINC000180040842 1429709128 /nfs/dbraw/zinc/70/91/28/1429709128.db2.gz MTEAVHIZVAWSOQ-GOSISDBHSA-N 1 0 380.448 3.409 20 30 GGEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000180041742 1429710012 /nfs/dbraw/zinc/71/00/12/1429710012.db2.gz GXDSKFVPOBRRHJ-OAQYLSRUSA-N 1 0 383.536 3.145 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000180041861 1429710041 /nfs/dbraw/zinc/71/00/41/1429710041.db2.gz OWJRKBLHGMJTTA-INIZCTEOSA-N 1 0 382.464 3.240 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)[NH+](C)C)c1 ZINC000180045645 1429711322 /nfs/dbraw/zinc/71/13/22/1429711322.db2.gz JQUUMUFFXKPRNY-HNAYVOBHSA-N 1 0 382.464 3.410 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000158433844 1424252765 /nfs/dbraw/zinc/25/27/65/1424252765.db2.gz XGNGDCSQEMSARG-QFIPXVFZSA-N 1 0 398.507 3.220 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000158433979 1424252955 /nfs/dbraw/zinc/25/29/55/1424252955.db2.gz XGNGDCSQEMSARG-JOCHJYFZSA-N 1 0 398.507 3.220 20 30 GGEDRO Cn1cc(C[NH2+]CCc2cnn(-c3ccccc3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180047082 1429711914 /nfs/dbraw/zinc/71/19/14/1429711914.db2.gz YYYPPISAARZCQD-UHFFFAOYSA-N 1 0 382.471 3.477 20 30 GGEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cc(-n2nnnc2C)ccc1F)c1ccccc1 ZINC000180049355 1429713595 /nfs/dbraw/zinc/71/35/95/1429713595.db2.gz WJRGOKSKIYLEDL-IBGZPJMESA-N 1 0 394.454 3.345 20 30 GGEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000158591003 1424297786 /nfs/dbraw/zinc/29/77/86/1424297786.db2.gz KRIZEOZVBHCMOG-UHFFFAOYSA-N 1 0 386.515 3.104 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(C)c2)CC1 ZINC000158731536 1424329333 /nfs/dbraw/zinc/32/93/33/1424329333.db2.gz KQCSIMKCFIWPMP-DEOSSOPVSA-N 1 0 390.527 3.402 20 30 GGEDRO N#Cc1cccc(COc2cccc(CN3CCN(c4ncccn4)CC3)c2)c1 ZINC000158827611 1424351995 /nfs/dbraw/zinc/35/19/95/1424351995.db2.gz CUBMIJOZGMHYCG-UHFFFAOYSA-N 1 0 385.471 3.249 20 30 GGEDRO CC[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCN(c2cccs2)CC1 ZINC000158914722 1424371442 /nfs/dbraw/zinc/37/14/42/1424371442.db2.gz AEORARUDUCKWIF-CQSZACIVSA-N 1 0 375.542 3.244 20 30 GGEDRO CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000158917741 1424372377 /nfs/dbraw/zinc/37/23/77/1424372377.db2.gz UTEXCLZXRJICAX-YADHBBJMSA-N 1 0 397.567 3.037 20 30 GGEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000158972576 1424384471 /nfs/dbraw/zinc/38/44/71/1424384471.db2.gz WLIFWAMBJYHAQQ-UHFFFAOYSA-N 1 0 395.956 3.488 20 30 GGEDRO CC[NH+]=C(NC[C@H](O)c1cc2ccccc2s1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000159074793 1424411258 /nfs/dbraw/zinc/41/12/58/1424411258.db2.gz BAAMOSFCFMQWPA-SAKMYQHLSA-N 1 0 387.549 3.303 20 30 GGEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000159146109 1424428413 /nfs/dbraw/zinc/42/84/13/1424428413.db2.gz LQKIDFSUVAEOFU-UHFFFAOYSA-N 1 0 386.515 3.104 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159205983 1424442081 /nfs/dbraw/zinc/44/20/81/1424442081.db2.gz NTSMAQXLNQDUNN-XPNTWCBSSA-N 1 0 382.552 3.027 20 30 GGEDRO COC(=O)C1([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCC1 ZINC000159213762 1424444996 /nfs/dbraw/zinc/44/49/96/1424444996.db2.gz ZXYWTCZPWHMEJR-UHFFFAOYSA-N 1 0 389.521 3.245 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000180080175 1429727997 /nfs/dbraw/zinc/72/79/97/1429727997.db2.gz YUUFGBZKWWPQIB-QGZVFWFLSA-N 1 0 391.475 3.445 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NC[C@H](O)c2cc3ccccc3s2)cc1OC ZINC000159372423 1424497223 /nfs/dbraw/zinc/49/72/23/1424497223.db2.gz AAJFNJBCBLAOCP-INIZCTEOSA-N 1 0 399.516 3.099 20 30 GGEDRO C=C[C@@H](CC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000159588791 1424516563 /nfs/dbraw/zinc/51/65/63/1424516563.db2.gz LLOYIKCABLCNJU-IBGZPJMESA-N 1 0 399.579 3.289 20 30 GGEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)ccc1OCC(C)C ZINC000180089150 1429732258 /nfs/dbraw/zinc/73/22/58/1429732258.db2.gz VREMLFOAMYGFDI-IIBYNOLFSA-N 1 0 375.513 3.435 20 30 GGEDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000159876615 1424548033 /nfs/dbraw/zinc/54/80/33/1424548033.db2.gz JONUXRFTQIPFAA-CVEARBPZSA-N 1 0 389.459 3.024 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000159949321 1424555800 /nfs/dbraw/zinc/55/58/00/1424555800.db2.gz ASFUCNNZLRPBGO-HOCLYGCPSA-N 1 0 384.509 3.258 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000159984461 1424559640 /nfs/dbraw/zinc/55/96/40/1424559640.db2.gz TXTOKSSJHYOBQR-NQIIRXRSSA-N 1 0 399.491 3.144 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000160001279 1424561408 /nfs/dbraw/zinc/56/14/08/1424561408.db2.gz IDIVINUULRZONI-XLIONFOSSA-N 1 0 383.517 3.232 20 30 GGEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000160007209 1424561736 /nfs/dbraw/zinc/56/17/36/1424561736.db2.gz FJHZTIKGNISUKN-AVRDEDQJSA-N 1 0 397.544 3.373 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000160007075 1424562070 /nfs/dbraw/zinc/56/20/70/1424562070.db2.gz FJHZTIKGNISUKN-GCJKJVERSA-N 1 0 397.544 3.373 20 30 GGEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000160000998 1424562165 /nfs/dbraw/zinc/56/21/65/1424562165.db2.gz IDIVINUULRZONI-YLJYHZDGSA-N 1 0 383.517 3.232 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](CC#Cc2ccc(F)cc2)C(C)C)cc1 ZINC000160078416 1424572313 /nfs/dbraw/zinc/57/23/13/1424572313.db2.gz SUCDOOOPPVAHFL-JOCHJYFZSA-N 1 0 398.478 3.286 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CC#Cc2ccc(F)cc2)C(C)C)cc1 ZINC000160078290 1424572360 /nfs/dbraw/zinc/57/23/60/1424572360.db2.gz SUCDOOOPPVAHFL-QFIPXVFZSA-N 1 0 398.478 3.286 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160447239 1424604978 /nfs/dbraw/zinc/60/49/78/1424604978.db2.gz BTRJNFHMAYLQSA-MRXNPFEDSA-N 1 0 379.932 3.021 20 30 GGEDRO [NH2+]=C(NCCc1ccc2c(c1)OCCO2)Nc1ccccc1OC(F)(F)F ZINC000160600880 1424618276 /nfs/dbraw/zinc/61/82/76/1424618276.db2.gz OGJHMCPVCXSHPF-UHFFFAOYSA-N 1 0 381.354 3.326 20 30 GGEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000160622667 1424619757 /nfs/dbraw/zinc/61/97/57/1424619757.db2.gz IHBVJCLCBDSFLB-UHFFFAOYSA-N 1 0 389.496 3.157 20 30 GGEDRO Cn1cc(C[NH2+]CCN2CCc3sccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180107859 1429740663 /nfs/dbraw/zinc/74/06/63/1429740663.db2.gz VGBUUDJRIBXEKR-UHFFFAOYSA-N 1 0 377.517 3.168 20 30 GGEDRO CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160692887 1424627227 /nfs/dbraw/zinc/62/72/27/1424627227.db2.gz SPKGUGSHHPKSAY-UHFFFAOYSA-N 1 0 394.397 3.361 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1cccc(C#N)c1 ZINC000160716532 1424629899 /nfs/dbraw/zinc/62/98/99/1424629899.db2.gz CPUCDOWOFAOWDR-UHFFFAOYSA-N 1 0 395.532 3.339 20 30 GGEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000160947198 1424646819 /nfs/dbraw/zinc/64/68/19/1424646819.db2.gz RVIFAZVBEFQOCE-LJQANCHMSA-N 1 0 386.540 3.102 20 30 GGEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000160947331 1424647012 /nfs/dbraw/zinc/64/70/12/1424647012.db2.gz RVIFAZVBEFQOCE-IBGZPJMESA-N 1 0 386.540 3.102 20 30 GGEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000160985453 1424650539 /nfs/dbraw/zinc/65/05/39/1424650539.db2.gz UASHSSMZOLKJRK-UHFFFAOYSA-N 1 0 393.528 3.115 20 30 GGEDRO CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000161116208 1424659541 /nfs/dbraw/zinc/65/95/41/1424659541.db2.gz JYQHYMHOPUZNRQ-HNNXBMFYSA-N 1 0 387.503 3.322 20 30 GGEDRO CCC[C@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1CCOC ZINC000161151628 1424662366 /nfs/dbraw/zinc/66/23/66/1424662366.db2.gz UPHZQLQFHYUJLJ-HNNXBMFYSA-N 1 0 396.438 3.124 20 30 GGEDRO C=CCOc1ccc(-c2nn(CN3CC[C@H]([NH+]4CC=CC4)C3)c(=S)o2)cc1 ZINC000161338020 1424677907 /nfs/dbraw/zinc/67/79/07/1424677907.db2.gz KUMFDKSTGQUXMX-KRWDZBQOSA-N 1 0 384.505 3.341 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncccc1C(F)(F)F ZINC000180122866 1429746715 /nfs/dbraw/zinc/74/67/15/1429746715.db2.gz YJDUFUBXERSRAW-UHFFFAOYSA-N 1 0 376.382 3.176 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000161526538 1424701008 /nfs/dbraw/zinc/70/10/08/1424701008.db2.gz ANINMUOAVBNPRB-IAGOWNOFSA-N 1 0 386.517 3.361 20 30 GGEDRO N#C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000161616258 1424725413 /nfs/dbraw/zinc/72/54/13/1424725413.db2.gz JULMJXBZQSQVPX-JOCHJYFZSA-N 1 0 397.567 3.062 20 30 GGEDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CN1Cc1ccccc1 ZINC000161671384 1424736972 /nfs/dbraw/zinc/73/69/72/1424736972.db2.gz ADOOAUQFEVFXCV-AVRDEDQJSA-N 1 0 375.520 3.175 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(Cc4ccccc4)CC3)CC2)nc1 ZINC000161675233 1424737950 /nfs/dbraw/zinc/73/79/50/1424737950.db2.gz VAPGGEISCIYMPP-UHFFFAOYSA-N 1 0 375.520 3.176 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)COc1ccc(C#N)cc1 ZINC000161683650 1424739792 /nfs/dbraw/zinc/73/97/92/1424739792.db2.gz SAGUJMDEQJRKDG-FQEVSTJZSA-N 1 0 393.487 3.156 20 30 GGEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161692232 1424742091 /nfs/dbraw/zinc/74/20/91/1424742091.db2.gz NKEROVOEZPVSMH-MRXNPFEDSA-N 1 0 378.476 3.262 20 30 GGEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161698160 1424742953 /nfs/dbraw/zinc/74/29/53/1424742953.db2.gz FJZHWOYVSOLQFV-QGZVFWFLSA-N 1 0 391.519 3.491 20 30 GGEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)OCCCO2 ZINC000161695112 1424743144 /nfs/dbraw/zinc/74/31/44/1424743144.db2.gz WQJZIUXSMVIWNM-INIZCTEOSA-N 1 0 378.476 3.434 20 30 GGEDRO COc1ccc(C[C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000161712338 1424748749 /nfs/dbraw/zinc/74/87/49/1424748749.db2.gz OMEYNEBEPJAJRK-INIZCTEOSA-N 1 0 380.492 3.160 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000161764951 1424759302 /nfs/dbraw/zinc/75/93/02/1424759302.db2.gz IUYJVJPWEJBFJK-QGZVFWFLSA-N 1 0 389.503 3.400 20 30 GGEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161793736 1424766306 /nfs/dbraw/zinc/76/63/06/1424766306.db2.gz OUJKNPHVVFSYKT-INIZCTEOSA-N 1 0 379.464 3.441 20 30 GGEDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000161827492 1424774303 /nfs/dbraw/zinc/77/43/03/1424774303.db2.gz FHCBEBZGWZLZDC-UHFFFAOYSA-N 1 0 381.436 3.371 20 30 GGEDRO CCOC(=O)CC[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000161983695 1424805878 /nfs/dbraw/zinc/80/58/78/1424805878.db2.gz MKMMGAVVKOQJHL-AWEZNQCLSA-N 1 0 377.872 3.205 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)cc1 ZINC000162021982 1424809657 /nfs/dbraw/zinc/80/96/57/1424809657.db2.gz DOSMALMFZLEMBD-HXUWFJFHSA-N 1 0 394.515 3.260 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000180141379 1429755839 /nfs/dbraw/zinc/75/58/39/1429755839.db2.gz MHMNFDHHXLRUPK-QGZVFWFLSA-N 1 0 380.467 3.087 20 30 GGEDRO C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)NC1CCC(C(F)(F)F)CC1 ZINC000162273856 1424833415 /nfs/dbraw/zinc/83/34/15/1424833415.db2.gz OVMFENGMNLZPII-UHFFFAOYSA-N 1 0 385.356 3.225 20 30 GGEDRO CC(C)[C@H](CCO)[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000162280664 1424833743 /nfs/dbraw/zinc/83/37/43/1424833743.db2.gz BSMMCYQGLMILHF-FQEVSTJZSA-N 1 0 394.519 3.163 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCCc2cccc(OCc3ccccc3)c2)CC1 ZINC000162558120 1424866028 /nfs/dbraw/zinc/86/60/28/1424866028.db2.gz OXRORVLPWYOSEB-UHFFFAOYSA-N 1 0 376.500 3.270 20 30 GGEDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162572093 1424867725 /nfs/dbraw/zinc/86/77/25/1424867725.db2.gz PTWKUXWSQMBTLH-QGZVFWFLSA-N 1 0 375.538 3.453 20 30 GGEDRO CC(=O)Nc1ccc(F)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000162798044 1424891317 /nfs/dbraw/zinc/89/13/17/1424891317.db2.gz YEPIUEIOJCTMQT-UHFFFAOYSA-N 1 0 397.454 3.251 20 30 GGEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)[C@H]2CCOC2)c1C#N ZINC000162923942 1424906167 /nfs/dbraw/zinc/90/61/67/1424906167.db2.gz VNTFHQIXSGYZQP-YJBOKZPZSA-N 1 0 398.482 3.117 20 30 GGEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCOC2)c1C#N ZINC000162923717 1424906459 /nfs/dbraw/zinc/90/64/59/1424906459.db2.gz VNTFHQIXSGYZQP-MAUKXSAKSA-N 1 0 398.482 3.117 20 30 GGEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000163016784 1424923672 /nfs/dbraw/zinc/92/36/72/1424923672.db2.gz VONQPIWVFUQNQG-NRFANRHFSA-N 1 0 391.515 3.396 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc2c(C)cc(F)cc2c1O)C(C)C ZINC000163020456 1424925068 /nfs/dbraw/zinc/92/50/68/1424925068.db2.gz LZSCOEZIUYOJKA-IBGZPJMESA-N 1 0 385.483 3.404 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 ZINC000180150675 1429763480 /nfs/dbraw/zinc/76/34/80/1429763480.db2.gz QFSZJIFDYASGSC-INIZCTEOSA-N 1 0 382.895 3.211 20 30 GGEDRO C=CCOc1ccccc1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000163976250 1425064968 /nfs/dbraw/zinc/06/49/68/1425064968.db2.gz MPOZQSQJBRAVTL-UHFFFAOYSA-N 1 0 394.515 3.386 20 30 GGEDRO COc1cc(C)cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1O ZINC000164241252 1425091245 /nfs/dbraw/zinc/09/12/45/1425091245.db2.gz GEYRXHFUZYBWGO-UHFFFAOYSA-N 1 0 388.471 3.451 20 30 GGEDRO C=CCn1c(-c2ccncc2)nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000164659391 1425132663 /nfs/dbraw/zinc/13/26/63/1425132663.db2.gz GBFUFKVXRIDQNL-ROUUACIJSA-N 1 0 384.553 3.036 20 30 GGEDRO C=CCn1c(-c2cccnc2)nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164685088 1425135368 /nfs/dbraw/zinc/13/53/68/1425135368.db2.gz KBYDRISLZLJJNV-MSOLQXFVSA-N 1 0 384.553 3.036 20 30 GGEDRO Cc1ccccc1C[N@@H+]1CCCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000164781452 1425142275 /nfs/dbraw/zinc/14/22/75/1425142275.db2.gz RZBKDJFIHIGRBE-UHFFFAOYSA-N 1 0 376.504 3.403 20 30 GGEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000165359219 1425176714 /nfs/dbraw/zinc/17/67/14/1425176714.db2.gz XCMDMDKOMAENSC-UHFFFAOYSA-N 1 0 393.528 3.115 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000170653217 1425278370 /nfs/dbraw/zinc/27/83/70/1425278370.db2.gz NCSQJOIYUAUQAA-UHFFFAOYSA-N 1 0 392.459 3.094 20 30 GGEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCC[C@H]2c3ccccc3NC2=O)c1 ZINC000170907462 1425387817 /nfs/dbraw/zinc/38/78/17/1425387817.db2.gz JYARUILPZKPMPL-INIZCTEOSA-N 1 0 382.464 3.337 20 30 GGEDRO Cc1ccccc1NC(=[NH2+])NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000170914251 1425388585 /nfs/dbraw/zinc/38/85/85/1425388585.db2.gz ABBILUYCNQNABT-UHFFFAOYSA-N 1 0 386.521 3.096 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1OC ZINC000170909096 1425388792 /nfs/dbraw/zinc/38/87/92/1425388792.db2.gz YPCVJSMPBZWVQP-UGKGYDQZSA-N 1 0 397.519 3.319 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1)C(=O)OC(C)(C)C ZINC000170918005 1425390466 /nfs/dbraw/zinc/39/04/66/1425390466.db2.gz USBISCNIZIBBNB-INIZCTEOSA-N 1 0 386.496 3.076 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000170919025 1425392223 /nfs/dbraw/zinc/39/22/23/1425392223.db2.gz IMYKRUMVVHYFSZ-KRWDZBQOSA-N 1 0 386.496 3.076 20 30 GGEDRO COc1cccc([C@@H]2C[C@H]2C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000170944224 1425403443 /nfs/dbraw/zinc/40/34/43/1425403443.db2.gz XQHJESIYVDEQLV-FCHUYYIVSA-N 1 0 377.488 3.261 20 30 GGEDRO N#Cc1ccc(CC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000170950248 1425411228 /nfs/dbraw/zinc/41/12/28/1425411228.db2.gz UIGRUYZAJUDKHW-UHFFFAOYSA-N 1 0 396.922 3.083 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000170988469 1425425197 /nfs/dbraw/zinc/42/51/97/1425425197.db2.gz XPQPGEPWPCNEEO-QFIPXVFZSA-N 1 0 381.451 3.472 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000171045052 1425452781 /nfs/dbraw/zinc/45/27/81/1425452781.db2.gz FEDXIKNJNXURJJ-UHFFFAOYSA-N 1 0 379.479 3.137 20 30 GGEDRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4cccc(C#N)c4)CC3)cc2NC1=O ZINC000171066074 1425464335 /nfs/dbraw/zinc/46/43/35/1425464335.db2.gz TUVPTGWPARAULE-OAHLLOKOSA-N 1 0 389.455 3.373 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NCCc1ccccn1)[n+]1ccccc1 ZINC000171086697 1425475730 /nfs/dbraw/zinc/47/57/30/1425475730.db2.gz MEHMHBTVLYLONY-UHFFFAOYSA-O 1 0 392.504 3.149 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000171112184 1425489740 /nfs/dbraw/zinc/48/97/40/1425489740.db2.gz LJEBEFMWUZYSEQ-QGZVFWFLSA-N 1 0 390.487 3.159 20 30 GGEDRO COc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1OCCCC#N ZINC000171129767 1425496745 /nfs/dbraw/zinc/49/67/45/1425496745.db2.gz DBZAYMYTARQBPV-UHFFFAOYSA-N 1 0 385.430 3.494 20 30 GGEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171156368 1425514637 /nfs/dbraw/zinc/51/46/37/1425514637.db2.gz KINUUVMMZSNJSI-UHFFFAOYSA-N 1 0 383.496 3.377 20 30 GGEDRO C=CCOc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000171171299 1425524379 /nfs/dbraw/zinc/52/43/79/1425524379.db2.gz NKUWDDCOHKKEDP-GOSISDBHSA-N 1 0 393.487 3.201 20 30 GGEDRO C=C(Br)CNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000171199116 1425535715 /nfs/dbraw/zinc/53/57/15/1425535715.db2.gz CJINGZCVSDHFHY-UHFFFAOYSA-N 1 0 396.329 3.115 20 30 GGEDRO C[NH+]=C(NCc1ccco1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000171411771 1425668102 /nfs/dbraw/zinc/66/81/02/1425668102.db2.gz PYKLPLNFPAFBAF-UHFFFAOYSA-N 1 0 377.370 3.349 20 30 GGEDRO Cc1nn(-c2ccccc2)c2nc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc12 ZINC000171468887 1425692602 /nfs/dbraw/zinc/69/26/02/1425692602.db2.gz JSFWEEHDOKMQGO-UHFFFAOYSA-N 1 0 390.491 3.037 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000171477503 1425698625 /nfs/dbraw/zinc/69/86/25/1425698625.db2.gz LHTDXIODZPQIFM-UHFFFAOYSA-N 1 0 391.450 3.087 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000171537143 1425722832 /nfs/dbraw/zinc/72/28/32/1425722832.db2.gz DSVOQVHQQCHHIT-UHFFFAOYSA-N 1 0 378.476 3.145 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000171557329 1425733866 /nfs/dbraw/zinc/73/38/66/1425733866.db2.gz FEQGVYKGBUVHEF-MRXNPFEDSA-N 1 0 386.496 3.044 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000171563490 1425737867 /nfs/dbraw/zinc/73/78/67/1425737867.db2.gz IAZDEMYHLOFPIA-AWEZNQCLSA-N 1 0 378.881 3.194 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171585100 1425745170 /nfs/dbraw/zinc/74/51/70/1425745170.db2.gz PCIBXSAWOLYHRC-SJORKVTESA-N 1 0 381.561 3.425 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171585115 1425745337 /nfs/dbraw/zinc/74/53/37/1425745337.db2.gz PCIBXSAWOLYHRC-IRXDYDNUSA-N 1 0 381.561 3.425 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171585095 1425745408 /nfs/dbraw/zinc/74/54/08/1425745408.db2.gz PCIBXSAWOLYHRC-IAGOWNOFSA-N 1 0 381.561 3.425 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)CC1 ZINC000171591706 1425751742 /nfs/dbraw/zinc/75/17/42/1425751742.db2.gz BEOAUTWQWHYKHG-IBGZPJMESA-N 1 0 378.948 3.282 20 30 GGEDRO C[N@H+](CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000171591492 1425751839 /nfs/dbraw/zinc/75/18/39/1425751839.db2.gz UFOPJZZOXZWUCI-UHFFFAOYSA-N 1 0 392.503 3.243 20 30 GGEDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000171591230 1425751922 /nfs/dbraw/zinc/75/19/22/1425751922.db2.gz ARXCTOOUCPYCHK-UHFFFAOYSA-N 1 0 384.524 3.374 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2Cl)N(C)C)CC1 ZINC000171591710 1425752091 /nfs/dbraw/zinc/75/20/91/1425752091.db2.gz BEOAUTWQWHYKHG-LJQANCHMSA-N 1 0 378.948 3.282 20 30 GGEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000171604513 1425756571 /nfs/dbraw/zinc/75/65/71/1425756571.db2.gz ZCBHPSVXBISTID-KRWDZBQOSA-N 1 0 381.442 3.477 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1cnn(C)c1 ZINC000171655420 1425776937 /nfs/dbraw/zinc/77/69/37/1425776937.db2.gz ZJLYVDGUPLJQFA-CQSZACIVSA-N 1 0 385.537 3.329 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000171679954 1425787129 /nfs/dbraw/zinc/78/71/29/1425787129.db2.gz MPVWVEIBQACUTH-IYBDPMFKSA-N 1 0 390.503 3.211 20 30 GGEDRO N#Cc1c(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)sc2c1CCCCC2 ZINC000171707806 1425798571 /nfs/dbraw/zinc/79/85/71/1425798571.db2.gz YRPXARGKCCHAGE-MRXNPFEDSA-N 1 0 386.565 3.387 20 30 GGEDRO N#Cc1c(NC(=O)CN2CCC[C@H]2C[NH+]2CCCC2)sc2c1CCCCC2 ZINC000171707810 1425798619 /nfs/dbraw/zinc/79/86/19/1425798619.db2.gz YRPXARGKCCHAGE-INIZCTEOSA-N 1 0 386.565 3.387 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CC1 ZINC000171710081 1425799722 /nfs/dbraw/zinc/79/97/22/1425799722.db2.gz KPSXOPIZPSNQJW-UHFFFAOYSA-N 1 0 396.491 3.332 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccc3c(C)nn(-c4ccccc4)c3n2)CC1 ZINC000171715499 1425800947 /nfs/dbraw/zinc/80/09/47/1425800947.db2.gz XFMVPOMVMMDVND-UHFFFAOYSA-N 1 0 375.476 3.109 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000171714872 1425801038 /nfs/dbraw/zinc/80/10/38/1425801038.db2.gz NWKUXFJAATUGGR-ZDUSSCGKSA-N 1 0 396.318 3.113 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000171714672 1425801113 /nfs/dbraw/zinc/80/11/13/1425801113.db2.gz JCKPKIYZVGVPKF-IBGZPJMESA-N 1 0 391.924 3.035 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000171714831 1425801163 /nfs/dbraw/zinc/80/11/63/1425801163.db2.gz ILMVABFBMRPGBJ-OAHLLOKOSA-N 1 0 385.487 3.330 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CC1 ZINC000171720115 1425802789 /nfs/dbraw/zinc/80/27/89/1425802789.db2.gz AEIHGMKIBLLXPL-UHFFFAOYSA-N 1 0 389.503 3.324 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000171721609 1425803438 /nfs/dbraw/zinc/80/34/38/1425803438.db2.gz XEPQKCRVSMEVGC-JOCHJYFZSA-N 1 0 391.515 3.314 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)CC1 ZINC000171725140 1425803984 /nfs/dbraw/zinc/80/39/84/1425803984.db2.gz JWTRUKIQHBJDDP-UHFFFAOYSA-N 1 0 384.455 3.463 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)COc2ccc(OCc3ccccc3)cc2)CC1 ZINC000171725751 1425804550 /nfs/dbraw/zinc/80/45/50/1425804550.db2.gz CVOUUUACNGXICS-UHFFFAOYSA-N 1 0 380.488 3.411 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000171725971 1425804635 /nfs/dbraw/zinc/80/46/35/1425804635.db2.gz QCUVBMYORGXOBL-UHFFFAOYSA-N 1 0 392.912 3.249 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c3ccccc3nc3c2CN(CC)CC3)CC1 ZINC000171729383 1425805128 /nfs/dbraw/zinc/80/51/28/1425805128.db2.gz NXEJEUZUQBTUFG-UHFFFAOYSA-N 1 0 392.547 3.383 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000171728808 1425805333 /nfs/dbraw/zinc/80/53/33/1425805333.db2.gz WSSCOFKMKZRJKU-UHFFFAOYSA-N 1 0 389.503 3.475 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000171736637 1425806814 /nfs/dbraw/zinc/80/68/14/1425806814.db2.gz KRSVQWAIQNJYCL-UHFFFAOYSA-N 1 0 396.457 3.187 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)CC1 ZINC000171738229 1425807653 /nfs/dbraw/zinc/80/76/53/1425807653.db2.gz JWHXRZVDVAARMF-UHFFFAOYSA-N 1 0 387.402 3.408 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000171740318 1425808525 /nfs/dbraw/zinc/80/85/25/1425808525.db2.gz OOPPLJHAMXOPET-UHFFFAOYSA-N 1 0 391.537 3.175 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3cc(OCC)c(OCC)cc3C2)CC1 ZINC000171740485 1425808734 /nfs/dbraw/zinc/80/87/34/1425808734.db2.gz QEMHLSVSDODPEY-UHFFFAOYSA-N 1 0 387.524 3.202 20 30 GGEDRO C=CCOc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171832470 1425831153 /nfs/dbraw/zinc/83/11/53/1425831153.db2.gz DRYSKPLULYTHES-UHFFFAOYSA-N 1 0 380.492 3.110 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000171842500 1425833360 /nfs/dbraw/zinc/83/33/60/1425833360.db2.gz UBGISEODACRMHP-MRXNPFEDSA-N 1 0 388.537 3.012 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)CC1 ZINC000171907771 1425848779 /nfs/dbraw/zinc/84/87/79/1425848779.db2.gz UZUMNUPXJJNJGI-DNVCBOLYSA-N 1 0 377.916 3.462 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)CC1 ZINC000171907769 1425848975 /nfs/dbraw/zinc/84/89/75/1425848975.db2.gz UZUMNUPXJJNJGI-BEFAXECRSA-N 1 0 377.916 3.462 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000172074884 1425890214 /nfs/dbraw/zinc/89/02/14/1425890214.db2.gz HXTJQBSBHWYQLI-JOCHJYFZSA-N 1 0 377.488 3.153 20 30 GGEDRO N#CCCn1cc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c(-c2ccccc2)n1 ZINC000172113179 1425899812 /nfs/dbraw/zinc/89/98/12/1425899812.db2.gz NTNAFODJACXXKN-UHFFFAOYSA-N 1 0 397.486 3.393 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000172114164 1425899829 /nfs/dbraw/zinc/89/98/29/1425899829.db2.gz YUGDZXHXOMGOPW-UHFFFAOYSA-N 1 0 398.528 3.163 20 30 GGEDRO C=CCc1cc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1O ZINC000172116234 1425901607 /nfs/dbraw/zinc/90/16/07/1425901607.db2.gz YIFFWMONKHFZJB-UHFFFAOYSA-N 1 0 395.908 3.346 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000172202572 1425945447 /nfs/dbraw/zinc/94/54/47/1425945447.db2.gz XYXJFNUYWOKVLB-FQEVSTJZSA-N 1 0 378.476 3.053 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)NCCC[NH+]2CCCCC2)ccc1OC ZINC000172240605 1425961984 /nfs/dbraw/zinc/96/19/84/1425961984.db2.gz PRWABAMLIGHZRO-GOSISDBHSA-N 1 0 388.512 3.051 20 30 GGEDRO Cc1nc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)ccc1C#N ZINC000172401692 1426027352 /nfs/dbraw/zinc/02/73/52/1426027352.db2.gz QJLPEWAPYFFYRX-UHFFFAOYSA-N 1 0 398.894 3.188 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172462194 1426050132 /nfs/dbraw/zinc/05/01/32/1426050132.db2.gz CDNMSKSCMCYCTA-UHFFFAOYSA-N 1 0 389.499 3.410 20 30 GGEDRO C=CCn1c(=S)n(CN2CCC[C@H]2C[NH+]2CCCC2)nc1-c1cccnc1 ZINC000172485885 1426057252 /nfs/dbraw/zinc/05/72/52/1426057252.db2.gz HUNXSABHNYUCEN-SFHVURJKSA-N 1 0 384.553 3.180 20 30 GGEDRO Cc1ccc(NC(=O)NCc2ccc(OCC#N)cc2)c(OCC[NH+](C)C)c1 ZINC000172501289 1426061270 /nfs/dbraw/zinc/06/12/70/1426061270.db2.gz YJYFKVLXMXFQCT-UHFFFAOYSA-N 1 0 382.464 3.160 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000172674250 1426137621 /nfs/dbraw/zinc/13/76/21/1426137621.db2.gz XQGDBBJIYRROBL-UHFFFAOYSA-N 1 0 389.546 3.119 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000172691682 1426144861 /nfs/dbraw/zinc/14/48/61/1426144861.db2.gz QMRBCKNNPAYGBF-OAQYLSRUSA-N 1 0 398.551 3.323 20 30 GGEDRO C#CCOc1ccc(C(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2)cc1 ZINC000172704433 1426151296 /nfs/dbraw/zinc/15/12/96/1426151296.db2.gz QZGNLRWQXBWLGV-UHFFFAOYSA-N 1 0 393.487 3.023 20 30 GGEDRO CN(C(=O)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000172718859 1426158519 /nfs/dbraw/zinc/15/85/19/1426158519.db2.gz CSZBKTRUAAHIQJ-OAQYLSRUSA-N 1 0 390.487 3.171 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172752767 1426173606 /nfs/dbraw/zinc/17/36/06/1426173606.db2.gz UFSBKYFAHFHVCW-FQEVSTJZSA-N 1 0 376.460 3.096 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172752772 1426173827 /nfs/dbraw/zinc/17/38/27/1426173827.db2.gz UFSBKYFAHFHVCW-HXUWFJFHSA-N 1 0 376.460 3.096 20 30 GGEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[C@@H]([NH+]3CC=CC3)C2)c1=S ZINC000172933579 1426271377 /nfs/dbraw/zinc/27/13/77/1426271377.db2.gz LHIMHVAOYVUOAB-MRXNPFEDSA-N 1 0 385.512 3.310 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 ZINC000173101620 1426342108 /nfs/dbraw/zinc/34/21/08/1426342108.db2.gz DZUWWJYOPOHYRJ-UHFFFAOYSA-N 1 0 385.386 3.178 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(OC)c(OC(F)F)c(OC)c2)CC1 ZINC000173102122 1426342815 /nfs/dbraw/zinc/34/28/15/1426342815.db2.gz VUECNPIKIDECGX-UHFFFAOYSA-N 1 0 384.423 3.076 20 30 GGEDRO C[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)C[NH+]1CCN(C)CC1 ZINC000173121944 1426351730 /nfs/dbraw/zinc/35/17/30/1426351730.db2.gz OXZNOJZVJASGAN-IAGOWNOFSA-N 1 0 389.569 3.086 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000173121958 1426351918 /nfs/dbraw/zinc/35/19/18/1426351918.db2.gz OXZNOJZVJASGAN-DLBZAZTESA-N 1 0 389.569 3.086 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1C#N ZINC000173223361 1426406515 /nfs/dbraw/zinc/40/65/15/1426406515.db2.gz NPOYDSYAXMYBPD-LJQANCHMSA-N 1 0 383.517 3.091 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000173224210 1426409042 /nfs/dbraw/zinc/40/90/42/1426409042.db2.gz YUOPOOLBYKVQBU-NRFANRHFSA-N 1 0 397.544 3.399 20 30 GGEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)ccc2NC1=O ZINC000173225046 1426410137 /nfs/dbraw/zinc/41/01/37/1426410137.db2.gz YVXKDRIWMSRQSI-CKFHNAJUSA-N 1 0 392.459 3.346 20 30 GGEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)ccc2NC1=O ZINC000173229070 1426413442 /nfs/dbraw/zinc/41/34/42/1426413442.db2.gz AISRXKNGLBGBAY-BIENJYKASA-N 1 0 392.459 3.346 20 30 GGEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000173261597 1426439966 /nfs/dbraw/zinc/43/99/66/1426439966.db2.gz LHNYULFIKRBRLU-QGZVFWFLSA-N 1 0 398.482 3.238 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173262267 1426440907 /nfs/dbraw/zinc/44/09/07/1426440907.db2.gz DZFXZEZNKOLCPE-LJQANCHMSA-N 1 0 385.508 3.107 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)CC1 ZINC000173272431 1426450943 /nfs/dbraw/zinc/45/09/43/1426450943.db2.gz QKHDBEZVDQLDAL-UHFFFAOYSA-N 1 0 399.535 3.241 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2Oc2ccccc2)CC1 ZINC000173272415 1426451539 /nfs/dbraw/zinc/45/15/39/1426451539.db2.gz KDCXZCMFDCJBTF-UHFFFAOYSA-N 1 0 397.450 3.323 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000173275399 1426454035 /nfs/dbraw/zinc/45/40/35/1426454035.db2.gz MOZXZEKHCBNDIA-UHFFFAOYSA-N 1 0 397.450 3.323 20 30 GGEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000173338020 1426518267 /nfs/dbraw/zinc/51/82/67/1426518267.db2.gz QQGCASMYELEMIS-PKOBYXMFSA-N 1 0 380.496 3.314 20 30 GGEDRO N#CCCn1ccc(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1 ZINC000173372616 1426545330 /nfs/dbraw/zinc/54/53/30/1426545330.db2.gz PXQYGMIQPOKYSN-KRWDZBQOSA-N 1 0 386.887 3.409 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1SCC#N ZINC000173378622 1426551361 /nfs/dbraw/zinc/55/13/61/1426551361.db2.gz ANSAKEOSRVCXJV-GOSISDBHSA-N 1 0 394.544 3.447 20 30 GGEDRO COc1cccc([C@H](CNC(=O)NCc2cc(C#N)ccc2F)[NH+]2CCCC2)c1 ZINC000173426266 1426608038 /nfs/dbraw/zinc/60/80/38/1426608038.db2.gz KNPSNBQXYSAPOM-NRFANRHFSA-N 1 0 396.466 3.342 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000173447353 1426627273 /nfs/dbraw/zinc/62/72/73/1426627273.db2.gz WSASTBQXTNJGCZ-UHFFFAOYSA-N 1 0 398.470 3.188 20 30 GGEDRO C(=[NH+]/OCc1nc(Cc2ccccc2)no1)\c1ccc(N2CCOCC2)cc1 ZINC000173461891 1426636249 /nfs/dbraw/zinc/63/62/49/1426636249.db2.gz NAOKJVDFHMCINE-PXLXIMEGSA-N 1 0 378.432 3.048 20 30 GGEDRO NC(=[NH+]OCc1nc(Cc2ccccc2)no1)c1ccc(N2CCCCC2)cc1 ZINC000173466480 1426640926 /nfs/dbraw/zinc/64/09/26/1426640926.db2.gz BETFJKRCXNSHKZ-UHFFFAOYSA-N 1 0 391.475 3.488 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000173580200 1426745756 /nfs/dbraw/zinc/74/57/56/1426745756.db2.gz HSSMWOKPTSSVDL-HSZRJFAPSA-N 1 0 383.536 3.086 20 30 GGEDRO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000173642604 1426807721 /nfs/dbraw/zinc/80/77/21/1426807721.db2.gz VAQYDALYLVHDCK-UHFFFAOYSA-N 1 0 389.459 3.332 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173699604 1426824586 /nfs/dbraw/zinc/82/45/86/1426824586.db2.gz KJYGWKURWCBGEO-FQEVSTJZSA-N 1 0 393.487 3.069 20 30 GGEDRO CN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173704526 1426826737 /nfs/dbraw/zinc/82/67/37/1426826737.db2.gz FGSNMGVHLWNCCK-NRFANRHFSA-N 1 0 377.488 3.254 20 30 GGEDRO C[C@H]([NH2+]CC=CC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000824585807 1426836840 /nfs/dbraw/zinc/83/68/40/1426836840.db2.gz UJOPCBNDIIYSLZ-RYTMFUSVSA-N 1 0 387.491 3.296 20 30 GGEDRO C[N@H+](CCc1cccs1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000173754004 1426840641 /nfs/dbraw/zinc/84/06/41/1426840641.db2.gz FTAWHLMASAHTQA-UHFFFAOYSA-N 1 0 380.435 3.409 20 30 GGEDRO C=CCOCCCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000173806173 1426856168 /nfs/dbraw/zinc/85/61/68/1426856168.db2.gz RTKUATHSJGVVET-UHFFFAOYSA-N 1 0 394.519 3.325 20 30 GGEDRO C[C@H](CCc1cccn1C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000173826742 1426861898 /nfs/dbraw/zinc/86/18/98/1426861898.db2.gz DTXXOOYESMRWBA-LJQANCHMSA-N 1 0 393.535 3.135 20 30 GGEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000173853854 1426871744 /nfs/dbraw/zinc/87/17/44/1426871744.db2.gz AZQZKKAZZBJOFJ-KRWDZBQOSA-N 1 0 383.517 3.371 20 30 GGEDRO C[NH+]1CCN(Cc2cccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2)CC1 ZINC000173867522 1426876156 /nfs/dbraw/zinc/87/61/56/1426876156.db2.gz ZGBDMXQAYSXLAE-UHFFFAOYSA-N 1 0 388.515 3.110 20 30 GGEDRO C[C@H]([NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000173974359 1426918737 /nfs/dbraw/zinc/91/87/37/1426918737.db2.gz SWCBXDALWWYHGG-SFHVURJKSA-N 1 0 392.503 3.070 20 30 GGEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978679 1426922348 /nfs/dbraw/zinc/92/23/48/1426922348.db2.gz KKVUAEHRYWALKN-FYYLOGMGSA-N 1 0 388.515 3.117 20 30 GGEDRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(=O)c1cccc(F)c1 ZINC000174017222 1426946258 /nfs/dbraw/zinc/94/62/58/1426946258.db2.gz QMHNDBJOBNRDDW-QGZVFWFLSA-N 1 0 395.478 3.497 20 30 GGEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000174088616 1426996212 /nfs/dbraw/zinc/99/62/12/1426996212.db2.gz RCECONKELVJRHO-BETUJISGSA-N 1 0 384.402 3.198 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000174094206 1426999552 /nfs/dbraw/zinc/99/95/52/1426999552.db2.gz FCXRAZTZTGOIAH-ZDUSSCGKSA-N 1 0 396.413 3.199 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C(F)(F)F ZINC000174096983 1427000774 /nfs/dbraw/zinc/00/07/74/1427000774.db2.gz JUBFCLNWAIYLHE-AWEZNQCLSA-N 1 0 396.413 3.153 20 30 GGEDRO CCOc1cccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2cccc(C)c2)c1 ZINC000174102698 1427003124 /nfs/dbraw/zinc/00/31/24/1427003124.db2.gz GKURIOQINFOSEF-UHFFFAOYSA-O 1 0 395.508 3.466 20 30 GGEDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174109290 1427006115 /nfs/dbraw/zinc/00/61/15/1427006115.db2.gz XAWQURXIHPNYOY-KRWDZBQOSA-N 1 0 383.517 3.203 20 30 GGEDRO Cc1cccc(C)c1OCCCO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000174126297 1427012794 /nfs/dbraw/zinc/01/27/94/1427012794.db2.gz DAPWVABHPPJRQL-UHFFFAOYSA-N 1 0 397.519 3.371 20 30 GGEDRO NC(=[NH+]OCc1cc(-c2ccccc2)on1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174126840 1427013938 /nfs/dbraw/zinc/01/39/38/1427013938.db2.gz AMXRWTDZPYQDDA-UHFFFAOYSA-N 1 0 392.459 3.140 20 30 GGEDRO NC(=[NH+]OCC(=O)Nc1ccc(F)c(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000174128453 1427014330 /nfs/dbraw/zinc/01/43/30/1427014330.db2.gz SYZZJCFWZYTQJL-UHFFFAOYSA-N 1 0 388.418 3.231 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCOC2)c1C#N ZINC000174141480 1427019128 /nfs/dbraw/zinc/01/91/28/1427019128.db2.gz DZUWDSVRTVLXGI-SFHVURJKSA-N 1 0 380.492 3.263 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(N2CCCNC2=O)c1)C(C)C ZINC000174182621 1427036516 /nfs/dbraw/zinc/03/65/16/1427036516.db2.gz FSMOVMUUITYKPC-FQEVSTJZSA-N 1 0 399.539 3.426 20 30 GGEDRO CN(C(=O)NCc1ccc(OCC#N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174235167 1427062967 /nfs/dbraw/zinc/06/29/67/1427062967.db2.gz RRBPKZXAUKRYGJ-NRFANRHFSA-N 1 0 392.503 3.395 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245139 1427066994 /nfs/dbraw/zinc/06/69/94/1427066994.db2.gz UKLYPPDRPXHIQN-UHFFFAOYSA-N 1 0 397.431 3.397 20 30 GGEDRO COc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000174264472 1427074875 /nfs/dbraw/zinc/07/48/75/1427074875.db2.gz MAVDDTZFWOLTBI-QFIPXVFZSA-N 1 0 378.520 3.035 20 30 GGEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000174281356 1427083036 /nfs/dbraw/zinc/08/30/36/1427083036.db2.gz QIELLDXSWJQAJY-IBGZPJMESA-N 1 0 381.476 3.275 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(C#N)cc1 ZINC000174310733 1427095509 /nfs/dbraw/zinc/09/55/09/1427095509.db2.gz SRUMQCQTPXUVTF-UHFFFAOYSA-N 1 0 379.464 3.353 20 30 GGEDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)cc1C#N ZINC000174328382 1427104317 /nfs/dbraw/zinc/10/43/17/1427104317.db2.gz XDGYHDNYDKIHSO-UHFFFAOYSA-N 1 0 388.265 3.448 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000174401139 1427140403 /nfs/dbraw/zinc/14/04/03/1427140403.db2.gz YANATOAVGWTUCY-LEWJYISDSA-N 1 0 394.523 3.012 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000174401102 1427140775 /nfs/dbraw/zinc/14/07/75/1427140775.db2.gz YANATOAVGWTUCY-RTWAWAEBSA-N 1 0 394.523 3.012 20 30 GGEDRO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cc(Br)ccc1O ZINC000174423696 1427151016 /nfs/dbraw/zinc/15/10/16/1427151016.db2.gz WJORBMGHCHGAIU-UHFFFAOYSA-N 1 0 394.313 3.319 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc(C#N)c1 ZINC000174443913 1427158768 /nfs/dbraw/zinc/15/87/68/1427158768.db2.gz FRGQTJFMXHOZCD-UHFFFAOYSA-N 1 0 379.464 3.353 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]CCCN2C(=O)COc3ccccc32)c1 ZINC000174520981 1427200217 /nfs/dbraw/zinc/20/02/17/1427200217.db2.gz VJTFSLYQTGGEGH-UHFFFAOYSA-N 1 0 379.460 3.274 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000174541880 1427213178 /nfs/dbraw/zinc/21/31/78/1427213178.db2.gz TWAOXJNCUIRYEB-UHFFFAOYSA-N 1 0 380.492 3.187 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C#N ZINC000174601852 1427252477 /nfs/dbraw/zinc/25/24/77/1427252477.db2.gz UDNZNTWYZZZFDN-UHFFFAOYSA-N 1 0 390.487 3.108 20 30 GGEDRO N#Cc1cccc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1 ZINC000174601778 1427252716 /nfs/dbraw/zinc/25/27/16/1427252716.db2.gz NWPDABLDMUDRSO-UHFFFAOYSA-N 1 0 389.546 3.127 20 30 GGEDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(COc3ccccc3C#N)c1)C2 ZINC000174643625 1427283496 /nfs/dbraw/zinc/28/34/96/1427283496.db2.gz SFMIZDFJZMCYQA-LEWJYISDSA-N 1 0 375.472 3.446 20 30 GGEDRO C[C@H](C#N)Oc1ccc(CNc2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000174653055 1427290067 /nfs/dbraw/zinc/29/00/67/1427290067.db2.gz UWXOFMKLYDBCMY-LJQANCHMSA-N 1 0 394.519 3.216 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1Cl ZINC000174659944 1427293403 /nfs/dbraw/zinc/29/34/03/1427293403.db2.gz RTSZVNNSUXUEQT-UHFFFAOYSA-N 1 0 398.894 3.064 20 30 GGEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000174744053 1427344428 /nfs/dbraw/zinc/34/44/28/1427344428.db2.gz JDJYKFHQFZQTEP-UHFFFAOYSA-N 1 0 392.503 3.496 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)CC1 ZINC000174770493 1427357927 /nfs/dbraw/zinc/35/79/27/1427357927.db2.gz LQTFOQVFZPQJTL-UHFFFAOYSA-N 1 0 396.576 3.410 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174829193 1427390604 /nfs/dbraw/zinc/39/06/04/1427390604.db2.gz VLPHSWAWLPHDTJ-UHFFFAOYSA-N 1 0 386.496 3.218 20 30 GGEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc2)CC1 ZINC000174840956 1427399084 /nfs/dbraw/zinc/39/90/84/1427399084.db2.gz VPGSFJZDMQFLHH-FQEVSTJZSA-N 1 0 382.895 3.477 20 30 GGEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](C#N)c3ccccc3Cl)c2)CC1 ZINC000174840753 1427399244 /nfs/dbraw/zinc/39/92/44/1427399244.db2.gz PGBOZEYKQAHHHG-HXUWFJFHSA-N 1 0 382.895 3.082 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](CCCC(C)(C)C#N)C(C)C)cc1 ZINC000174853007 1427408421 /nfs/dbraw/zinc/40/84/21/1427408421.db2.gz IQYABVFJKWPEET-LJQANCHMSA-N 1 0 375.513 3.425 20 30 GGEDRO C[NH+](C)Cc1cccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 ZINC000174870269 1427419755 /nfs/dbraw/zinc/41/97/55/1427419755.db2.gz NHQULVHCLQRTTD-UHFFFAOYSA-N 1 0 393.491 3.225 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)ccc1OC ZINC000174896149 1427433021 /nfs/dbraw/zinc/43/30/21/1427433021.db2.gz NEDLOFKQVLHGTG-ROUUACIJSA-N 1 0 388.512 3.002 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)ccc1OC ZINC000174896181 1427433051 /nfs/dbraw/zinc/43/30/51/1427433051.db2.gz NEDLOFKQVLHGTG-MSOLQXFVSA-N 1 0 388.512 3.002 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000174935842 1427453730 /nfs/dbraw/zinc/45/37/30/1427453730.db2.gz IEGHHCLUCKTZJM-NRFANRHFSA-N 1 0 377.488 3.112 20 30 GGEDRO CCC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000174947685 1427460829 /nfs/dbraw/zinc/46/08/29/1427460829.db2.gz HVYYWJNIDCJGMT-INIZCTEOSA-N 1 0 388.581 3.491 20 30 GGEDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000174962623 1427469242 /nfs/dbraw/zinc/46/92/42/1427469242.db2.gz BMFKSZWSTOQKKC-INIZCTEOSA-N 1 0 388.581 3.491 20 30 GGEDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000174962649 1427469286 /nfs/dbraw/zinc/46/92/86/1427469286.db2.gz BMFKSZWSTOQKKC-MRXNPFEDSA-N 1 0 388.581 3.491 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175170091 1427579989 /nfs/dbraw/zinc/57/99/89/1427579989.db2.gz WZOMRYUURONCBM-HXUWFJFHSA-N 1 0 390.487 3.171 20 30 GGEDRO N#CCSCC(=O)O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000175184372 1427588043 /nfs/dbraw/zinc/58/80/43/1427588043.db2.gz AFVPYYFPIPNPFN-QZTJIDSGSA-N 1 0 393.940 3.183 20 30 GGEDRO N#CCSCC(=O)O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000175184386 1427588210 /nfs/dbraw/zinc/58/82/10/1427588210.db2.gz AFVPYYFPIPNPFN-ZWKOTPCHSA-N 1 0 393.940 3.183 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000175247593 1427624710 /nfs/dbraw/zinc/62/47/10/1427624710.db2.gz PVQNYNHEJGIKDB-JLHYYAGUSA-N 1 0 387.480 3.062 20 30 GGEDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000175269278 1427637534 /nfs/dbraw/zinc/63/75/34/1427637534.db2.gz FFADRZLPOBVSKQ-DYESRHJHSA-N 1 0 388.471 3.158 20 30 GGEDRO N#CCc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000175315933 1427671795 /nfs/dbraw/zinc/67/17/95/1427671795.db2.gz UZJRVVCVFMQPJG-UHFFFAOYSA-N 1 0 378.476 3.031 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc(N2CCCNC2=O)c1)C(C)C ZINC000175332426 1427685079 /nfs/dbraw/zinc/68/50/79/1427685079.db2.gz PJVVWVGAXDNVCY-HXUWFJFHSA-N 1 0 384.524 3.035 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000175466178 1427770325 /nfs/dbraw/zinc/77/03/25/1427770325.db2.gz XVNAXLLFBONPKF-UHFFFAOYSA-N 1 0 398.482 3.417 20 30 GGEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NCc1cc(C#N)ccc1F ZINC000175466365 1427770338 /nfs/dbraw/zinc/77/03/38/1427770338.db2.gz JNQKNOKXNZUAAD-UHFFFAOYSA-N 1 0 398.482 3.417 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175495592 1427788732 /nfs/dbraw/zinc/78/87/32/1427788732.db2.gz QKGIOIGMXGNVSR-RXVVDRJESA-N 1 0 392.503 3.441 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000175511293 1427798041 /nfs/dbraw/zinc/79/80/41/1427798041.db2.gz ICGZJPVFNVMNQN-QFIPXVFZSA-N 1 0 385.552 3.460 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000175513154 1427799852 /nfs/dbraw/zinc/79/98/52/1427799852.db2.gz KIMGFFFVSGUNND-ZDUSSCGKSA-N 1 0 389.887 3.401 20 30 GGEDRO N#Cc1c[nH]c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)c1 ZINC000175533990 1427806935 /nfs/dbraw/zinc/80/69/35/1427806935.db2.gz IEIDPJYAZHFEEZ-UHFFFAOYSA-N 1 0 379.464 3.343 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175552336 1427812748 /nfs/dbraw/zinc/81/27/48/1427812748.db2.gz HOHKFNJEHZCLQY-UHFFFAOYSA-N 1 0 386.565 3.498 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000175576946 1427820365 /nfs/dbraw/zinc/82/03/65/1427820365.db2.gz CETYDDWKIGHWCD-GOSISDBHSA-N 1 0 384.524 3.306 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000175588172 1427823461 /nfs/dbraw/zinc/82/34/61/1427823461.db2.gz DAZWIEAHWQIESR-JLYLLQBASA-N 1 0 391.556 3.321 20 30 GGEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175593908 1427825623 /nfs/dbraw/zinc/82/56/23/1427825623.db2.gz BEMXRMMDMRYTRU-KRWDZBQOSA-N 1 0 394.544 3.075 20 30 GGEDRO N#CCSc1cccc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000175659086 1427847683 /nfs/dbraw/zinc/84/76/83/1427847683.db2.gz QCUSERFUAULRJV-UHFFFAOYSA-N 1 0 387.549 3.315 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175700644 1427863337 /nfs/dbraw/zinc/86/33/37/1427863337.db2.gz WPPOIXAVDZXLNR-INIZCTEOSA-N 1 0 388.537 3.409 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175700664 1427863455 /nfs/dbraw/zinc/86/34/55/1427863455.db2.gz WPPOIXAVDZXLNR-MRXNPFEDSA-N 1 0 388.537 3.409 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175845783 1427928030 /nfs/dbraw/zinc/92/80/30/1427928030.db2.gz AOJZSDWIVUEBNE-XLIONFOSSA-N 1 0 383.517 3.198 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175865547 1427941064 /nfs/dbraw/zinc/94/10/64/1427941064.db2.gz CVROZJYFSWUBIQ-QZTJIDSGSA-N 1 0 388.537 3.072 20 30 GGEDRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000175952871 1427994055 /nfs/dbraw/zinc/99/40/55/1427994055.db2.gz NVBCPKODZJITIA-UHFFFAOYSA-N 1 0 388.537 3.010 20 30 GGEDRO C=C(Br)CNC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000175960549 1427999469 /nfs/dbraw/zinc/99/94/69/1427999469.db2.gz ZIHBYZLBSGMXSH-QGZVFWFLSA-N 1 0 380.330 3.449 20 30 GGEDRO N#CC1(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CCOCC1 ZINC000175975770 1428008361 /nfs/dbraw/zinc/00/83/61/1428008361.db2.gz DABPNLICYIAORX-UHFFFAOYSA-N 1 0 381.520 3.354 20 30 GGEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000175975864 1428008539 /nfs/dbraw/zinc/00/85/39/1428008539.db2.gz YLUHLGXNHJEZOA-UHFFFAOYSA-N 1 0 379.426 3.231 20 30 GGEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000176101304 1428082858 /nfs/dbraw/zinc/08/28/58/1428082858.db2.gz WDTLKAGBLDLNOC-QGZVFWFLSA-N 1 0 398.482 3.238 20 30 GGEDRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccccc1SCCC#N)C(C)C ZINC000176120504 1428095165 /nfs/dbraw/zinc/09/51/65/1428095165.db2.gz FOKHTZJTWRJGOH-UHFFFAOYSA-N 1 0 390.553 3.256 20 30 GGEDRO N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000176128241 1428100768 /nfs/dbraw/zinc/10/07/68/1428100768.db2.gz QZERJLIVMIQULL-MRXNPFEDSA-N 1 0 386.496 3.470 20 30 GGEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000176210337 1428169734 /nfs/dbraw/zinc/16/97/34/1428169734.db2.gz MSHZGEPFPDJUAE-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000176212902 1428171655 /nfs/dbraw/zinc/17/16/55/1428171655.db2.gz QBPQZRJBFQAQLD-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO Cn1cc(C[NH2+]CCCNC(=O)c2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180191596 1429793403 /nfs/dbraw/zinc/79/34/03/1429793403.db2.gz GZKLKGCSCPJDSH-UHFFFAOYSA-N 1 0 391.450 3.008 20 30 GGEDRO Cn1cc(C[NH2+]CCNC(=O)c2ccccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000180208325 1429802039 /nfs/dbraw/zinc/80/20/39/1429802039.db2.gz UYWHOCSXJWANGB-UHFFFAOYSA-N 1 0 393.878 3.132 20 30 GGEDRO C=CCc1cc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc(OC)c1O ZINC000180220017 1429805629 /nfs/dbraw/zinc/80/56/29/1429805629.db2.gz RJNIWPROZBLZFX-HNNXBMFYSA-N 1 0 388.414 3.303 20 30 GGEDRO Cn1cc(C[NH2+]CCc2nc3cc(F)ccc3n2C)c(-c2ccc(C#N)cc2)n1 ZINC000180230498 1429808918 /nfs/dbraw/zinc/80/89/18/1429808918.db2.gz FUXWNMPCULTLCR-UHFFFAOYSA-N 1 0 388.450 3.317 20 30 GGEDRO N#CCSc1cccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000180308227 1429832278 /nfs/dbraw/zinc/83/22/78/1429832278.db2.gz IAMFLTQCSJLYJO-UHFFFAOYSA-N 1 0 387.549 3.267 20 30 GGEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000180361042 1429846307 /nfs/dbraw/zinc/84/63/07/1429846307.db2.gz QMOOIZYJCAKMAM-UHFFFAOYSA-N 1 0 389.499 3.014 20 30 GGEDRO NC(=NOCCCc1cccc(F)c1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000180374514 1429849776 /nfs/dbraw/zinc/84/97/76/1429849776.db2.gz OQRDVFSYJPOUGM-UHFFFAOYSA-N 1 0 385.483 3.052 20 30 GGEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000180398604 1429856933 /nfs/dbraw/zinc/85/69/33/1429856933.db2.gz IERDLPDZCRNVNL-OAHLLOKOSA-N 1 0 398.463 3.262 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000180411953 1429861373 /nfs/dbraw/zinc/86/13/73/1429861373.db2.gz IHMLWWYLXOKFNN-ROUUACIJSA-N 1 0 399.535 3.349 20 30 GGEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180411601 1429861553 /nfs/dbraw/zinc/86/15/53/1429861553.db2.gz LOFZOIDVBJPUDY-IRXDYDNUSA-N 1 0 396.535 3.195 20 30 GGEDRO C#CCOc1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180450524 1429872078 /nfs/dbraw/zinc/87/20/78/1429872078.db2.gz CXIALMHZJXGFBE-UHFFFAOYSA-N 1 0 377.488 3.472 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180538686 1429893267 /nfs/dbraw/zinc/89/32/67/1429893267.db2.gz IOWZYTHBUAKQDW-QZTJIDSGSA-N 1 0 381.879 3.259 20 30 GGEDRO C=CCc1cc(C[N@H+]2CCCN(c3nccc(OCC)n3)CC2)cc(OC)c1O ZINC000180605875 1429929535 /nfs/dbraw/zinc/92/95/35/1429929535.db2.gz MQIGHIOGCGIECT-UHFFFAOYSA-N 1 0 398.507 3.030 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180609133 1429931520 /nfs/dbraw/zinc/93/15/20/1429931520.db2.gz JBXJOVZBZDRGMR-MRXNPFEDSA-N 1 0 396.466 3.491 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180609118 1429931607 /nfs/dbraw/zinc/93/16/07/1429931607.db2.gz JBXJOVZBZDRGMR-INIZCTEOSA-N 1 0 396.466 3.491 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](CO)C(C)(C)C)c1C#N ZINC000180635796 1429946819 /nfs/dbraw/zinc/94/68/19/1429946819.db2.gz RMDZTXFZKPWXLG-GOSISDBHSA-N 1 0 386.471 3.040 20 30 GGEDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000180705738 1429988913 /nfs/dbraw/zinc/98/89/13/1429988913.db2.gz XJMQWDXSBRXUOP-MRXNPFEDSA-N 1 0 389.459 3.432 20 30 GGEDRO N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000180711586 1429993686 /nfs/dbraw/zinc/99/36/86/1429993686.db2.gz WGNPMUFMJFNANL-QHCPKHFHSA-N 1 0 389.499 3.485 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000180716616 1429997109 /nfs/dbraw/zinc/99/71/09/1429997109.db2.gz GRPOKMFFDWFEAZ-OALUTQOASA-N 1 0 379.451 3.135 20 30 GGEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)ccc1OC ZINC000180811007 1430053751 /nfs/dbraw/zinc/05/37/51/1430053751.db2.gz MCOXJXGSQLSVIH-DNVCBOLYSA-N 1 0 392.463 3.203 20 30 GGEDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cnn1-c1cccc(Cl)c1 ZINC000180869317 1430078785 /nfs/dbraw/zinc/07/87/85/1430078785.db2.gz OGOUNFBROFFSPR-YSGBTYPNSA-N 1 0 399.882 3.011 20 30 GGEDRO CC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc2cc(OC)ccc2c1 ZINC000180879503 1430084879 /nfs/dbraw/zinc/08/48/79/1430084879.db2.gz XMQUYSRQMSZNCA-XQDODVJUSA-N 1 0 379.460 3.416 20 30 GGEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Cl)ccc1OC(F)F ZINC000180880862 1430085908 /nfs/dbraw/zinc/08/59/08/1430085908.db2.gz UYEZKISKXYBAPF-JRELAMLQSA-N 1 0 385.798 3.118 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180921905 1430116504 /nfs/dbraw/zinc/11/65/04/1430116504.db2.gz DZJPIIKTIVODGK-VGSWGCGISA-N 1 0 378.472 3.159 20 30 GGEDRO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000180952465 1430132334 /nfs/dbraw/zinc/13/23/34/1430132334.db2.gz ZAAHZACCDIDHOF-GOSISDBHSA-N 1 0 398.551 3.018 20 30 GGEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000180952293 1430132374 /nfs/dbraw/zinc/13/23/74/1430132374.db2.gz ZAAHZACCDIDHOF-SFHVURJKSA-N 1 0 398.551 3.018 20 30 GGEDRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000180967937 1430141365 /nfs/dbraw/zinc/14/13/65/1430141365.db2.gz KYJRRYKQGIEWER-JOCHJYFZSA-N 1 0 379.508 3.044 20 30 GGEDRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000180968422 1430142372 /nfs/dbraw/zinc/14/23/72/1430142372.db2.gz YSRZAOATRWVSPJ-KRWDZBQOSA-N 1 0 381.524 3.244 20 30 GGEDRO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180972907 1430144670 /nfs/dbraw/zinc/14/46/70/1430144670.db2.gz RLPUBAHLZJLRPT-QGZVFWFLSA-N 1 0 386.540 3.017 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000181034534 1430178731 /nfs/dbraw/zinc/17/87/31/1430178731.db2.gz PSEUKPILNFAVQY-INIZCTEOSA-N 1 0 394.922 3.398 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H]3COC4(CCOCC4)O3)c2)c1 ZINC000181072840 1430197775 /nfs/dbraw/zinc/19/77/75/1430197775.db2.gz PKJSRRXZTNUOEQ-JOCHJYFZSA-N 1 0 394.471 3.149 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3COC4(CCOCC4)O3)c2)c1 ZINC000181072858 1430198239 /nfs/dbraw/zinc/19/82/39/1430198239.db2.gz PKJSRRXZTNUOEQ-QFIPXVFZSA-N 1 0 394.471 3.149 20 30 GGEDRO COc1cccc2[nH]cc(CC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c21 ZINC000181106063 1430212516 /nfs/dbraw/zinc/21/25/16/1430212516.db2.gz KFHMIYYHRQGQNI-UHFFFAOYSA-N 1 0 390.487 3.181 20 30 GGEDRO CCc1nnc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(C#N)c1CC ZINC000181135237 1430221694 /nfs/dbraw/zinc/22/16/94/1430221694.db2.gz RUKFBUKJEOGACF-GOSISDBHSA-N 1 0 379.508 3.042 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000181175289 1430238150 /nfs/dbraw/zinc/23/81/50/1430238150.db2.gz YIYJPGGYPDFJQF-MAUKXSAKSA-N 1 0 388.899 3.398 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000181186553 1430241770 /nfs/dbraw/zinc/24/17/70/1430241770.db2.gz PZBDFIYHGHIRSQ-MAUKXSAKSA-N 1 0 388.899 3.316 20 30 GGEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000181213999 1430249206 /nfs/dbraw/zinc/24/92/06/1430249206.db2.gz KYXKVPTUMKGHKW-CQSZACIVSA-N 1 0 396.434 3.316 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000181269209 1430259729 /nfs/dbraw/zinc/25/97/29/1430259729.db2.gz SJBXETBWDAMUEX-CABCVRRESA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000181272683 1430260646 /nfs/dbraw/zinc/26/06/46/1430260646.db2.gz WICZQTHRUJXYMN-CYBMUJFWSA-N 1 0 384.461 3.256 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000181275727 1430261180 /nfs/dbraw/zinc/26/11/80/1430261180.db2.gz SLVROPLMTZNTQA-GJZGRUSLSA-N 1 0 378.432 3.193 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c(C#N)c1C ZINC000181278828 1430262043 /nfs/dbraw/zinc/26/20/43/1430262043.db2.gz DJOCXNOBEAVMHH-CYBMUJFWSA-N 1 0 382.420 3.014 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000181282502 1430262411 /nfs/dbraw/zinc/26/24/11/1430262411.db2.gz AWQAQHOAWNVIDJ-QGZVFWFLSA-N 1 0 392.459 3.241 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000181309483 1430269496 /nfs/dbraw/zinc/26/94/96/1430269496.db2.gz CWFBVQCOXUMDBU-CABCVRRESA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(N2CCOC2=O)c1 ZINC000181313613 1430270358 /nfs/dbraw/zinc/27/03/58/1430270358.db2.gz MKFCBVPQESJLIB-HNNXBMFYSA-N 1 0 378.432 3.194 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000181315825 1430271057 /nfs/dbraw/zinc/27/10/57/1430271057.db2.gz QNQNUQZXJKLVGE-QGZVFWFLSA-N 1 0 392.459 3.241 20 30 GGEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c(C#N)c1C ZINC000181324859 1430273153 /nfs/dbraw/zinc/27/31/53/1430273153.db2.gz WFFIKJACGPJIER-CYBMUJFWSA-N 1 0 398.488 3.483 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c(C#N)c1C ZINC000181330155 1430274608 /nfs/dbraw/zinc/27/46/08/1430274608.db2.gz XHKYBOBLRPOIRH-KGLIPLIRSA-N 1 0 396.447 3.403 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2cccnc2)c1C#N ZINC000181366291 1430282547 /nfs/dbraw/zinc/28/25/47/1430282547.db2.gz IPDJLMKDEHBAAT-HNNXBMFYSA-N 1 0 377.448 3.302 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2cccnc2)c1C#N ZINC000181366308 1430282580 /nfs/dbraw/zinc/28/25/80/1430282580.db2.gz IPDJLMKDEHBAAT-OAHLLOKOSA-N 1 0 377.448 3.302 20 30 GGEDRO COc1cccc([C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N(C)C)c1 ZINC000181388178 1430286743 /nfs/dbraw/zinc/28/67/43/1430286743.db2.gz JVAMPMUAPIMIKZ-DEOSSOPVSA-N 1 0 392.547 3.424 20 30 GGEDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)cc1 ZINC000181399414 1430288782 /nfs/dbraw/zinc/28/87/82/1430288782.db2.gz JRCXBYZQRQSCPB-MBSDFSHPSA-N 1 0 395.503 3.322 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(N4CCOCC4)CCCCC3)CC2)cc1 ZINC000181399168 1430288808 /nfs/dbraw/zinc/28/88/08/1430288808.db2.gz RKATVENFQDMULL-UHFFFAOYSA-N 1 0 396.579 3.147 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NC1(C#N)CCCCC1 ZINC000181407082 1430290180 /nfs/dbraw/zinc/29/01/80/1430290180.db2.gz OFNKHIVJXVJVBX-IRXDYDNUSA-N 1 0 382.508 3.195 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NC1(C#N)CCCCC1 ZINC000181407127 1430290251 /nfs/dbraw/zinc/29/02/51/1430290251.db2.gz OFNKHIVJXVJVBX-DLBZAZTESA-N 1 0 382.508 3.195 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)NC1(C#N)CCCCC1 ZINC000181407145 1430290380 /nfs/dbraw/zinc/29/03/80/1430290380.db2.gz OFNKHIVJXVJVBX-IAGOWNOFSA-N 1 0 382.508 3.195 20 30 GGEDRO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000181410102 1430290789 /nfs/dbraw/zinc/29/07/89/1430290789.db2.gz LKOXOIBBTCMKLF-SFTDATJTSA-N 1 0 399.583 3.370 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc(C#N)c1 ZINC000181412219 1430291166 /nfs/dbraw/zinc/29/11/66/1430291166.db2.gz DZGZXKAZENMOSI-JKSUJKDBSA-N 1 0 376.460 3.363 20 30 GGEDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N2CCOCC2)cc1OC ZINC000181415449 1430292402 /nfs/dbraw/zinc/29/24/02/1430292402.db2.gz CQXWYCQQRVHABK-DYESRHJHSA-N 1 0 395.503 3.300 20 30 GGEDRO COc1ccc([C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N2CCOCC2)cc1OC ZINC000181415412 1430292420 /nfs/dbraw/zinc/29/24/20/1430292420.db2.gz CQXWYCQQRVHABK-UTKZUKDTSA-N 1 0 395.503 3.300 20 30 GGEDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N2CCOCC2)cc1OC ZINC000181415392 1430292547 /nfs/dbraw/zinc/29/25/47/1430292547.db2.gz CQXWYCQQRVHABK-UWJYYQICSA-N 1 0 395.503 3.300 20 30 GGEDRO C[C@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181441613 1430300213 /nfs/dbraw/zinc/30/02/13/1430300213.db2.gz UTJFWTKSVSPCDX-FQEVSTJZSA-N 1 0 378.520 3.452 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181454433 1430303364 /nfs/dbraw/zinc/30/33/64/1430303364.db2.gz SNQXLNDBOWXHKI-GOSISDBHSA-N 1 0 392.503 3.343 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)ccc1Cl ZINC000181485218 1430308724 /nfs/dbraw/zinc/30/87/24/1430308724.db2.gz DLBVKEOQSSCOSS-APWZRJJASA-N 1 0 377.916 3.378 20 30 GGEDRO COCCOc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181491252 1430309757 /nfs/dbraw/zinc/30/97/57/1430309757.db2.gz GYIPIRXMMQLIKO-UHFFFAOYSA-N 1 0 379.504 3.338 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181496210 1430310362 /nfs/dbraw/zinc/31/03/62/1430310362.db2.gz IWTVNEKQMGOABJ-VQTJNVASSA-N 1 0 378.520 3.450 20 30 GGEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)N1CCN(c2ccccc2)CC1 ZINC000181496188 1430310375 /nfs/dbraw/zinc/31/03/75/1430310375.db2.gz IWTVNEKQMGOABJ-UXHICEINSA-N 1 0 378.520 3.450 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(N4CCCC4=O)c3)CC2)cc1 ZINC000181497747 1430310683 /nfs/dbraw/zinc/31/06/83/1430310683.db2.gz NZFGSBONWGWAQW-UHFFFAOYSA-N 1 0 388.515 3.439 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000181516892 1430313798 /nfs/dbraw/zinc/31/37/98/1430313798.db2.gz JWKZLQFNLVHDDG-UTKZUKDTSA-N 1 0 394.560 3.104 20 30 GGEDRO CCCNC(=O)c1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181519489 1430314228 /nfs/dbraw/zinc/31/42/28/1430314228.db2.gz MVPSTSJTFWEIOD-UHFFFAOYSA-N 1 0 390.531 3.452 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181538731 1430317483 /nfs/dbraw/zinc/31/74/83/1430317483.db2.gz PDHSEIKHDZBEOQ-GOSISDBHSA-N 1 0 392.503 3.070 20 30 GGEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000181550034 1430318896 /nfs/dbraw/zinc/31/88/96/1430318896.db2.gz LCFJYNPRYDMFAJ-NRFANRHFSA-N 1 0 385.471 3.293 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181592595 1430324675 /nfs/dbraw/zinc/32/46/75/1430324675.db2.gz QWPBUMPFHFBRQV-JTSKRJEESA-N 1 0 383.467 3.452 20 30 GGEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000181602050 1430326182 /nfs/dbraw/zinc/32/61/82/1430326182.db2.gz RCVUAWJCYDGREA-KRWDZBQOSA-N 1 0 399.516 3.224 20 30 GGEDRO CCOc1ccc(NC(=O)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181605463 1430326737 /nfs/dbraw/zinc/32/67/37/1430326737.db2.gz GALZAAWQXOANPE-UHFFFAOYSA-N 1 0 392.503 3.150 20 30 GGEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000181606625 1430326779 /nfs/dbraw/zinc/32/67/79/1430326779.db2.gz NTNAYUUHBWRFTI-QAPCUYQASA-N 1 0 396.457 3.048 20 30 GGEDRO N#Cc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000181621454 1430329391 /nfs/dbraw/zinc/32/93/91/1430329391.db2.gz USSODCHBMIBWKW-SFHVURJKSA-N 1 0 384.867 3.100 20 30 GGEDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000181665228 1430338064 /nfs/dbraw/zinc/33/80/64/1430338064.db2.gz JQKCGIYQGXSQKL-UHFFFAOYSA-N 1 0 392.381 3.358 20 30 GGEDRO COc1cccc2c1OC[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC000181679826 1430340729 /nfs/dbraw/zinc/34/07/29/1430340729.db2.gz CAPVOYRHZPJAKR-OAQYLSRUSA-N 1 0 377.488 3.125 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000181787994 1430359992 /nfs/dbraw/zinc/35/99/92/1430359992.db2.gz UZXKUKREZQUJQF-ACJLOTCBSA-N 1 0 388.851 3.398 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000181800333 1430363239 /nfs/dbraw/zinc/36/32/39/1430363239.db2.gz KJABCCVOXYOFFW-OAQYLSRUSA-N 1 0 398.551 3.416 20 30 GGEDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181804771 1430364187 /nfs/dbraw/zinc/36/41/87/1430364187.db2.gz PHCNSPVJCQZVHZ-GOSISDBHSA-N 1 0 392.503 3.106 20 30 GGEDRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181807237 1430364592 /nfs/dbraw/zinc/36/45/92/1430364592.db2.gz WQKBXXDQDNTZBH-WOJBJXKFSA-N 1 0 378.520 3.450 20 30 GGEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000181861325 1430373453 /nfs/dbraw/zinc/37/34/53/1430373453.db2.gz LEDQUMFJPJMGKU-KRWDZBQOSA-N 1 0 383.517 3.283 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000181890041 1430378670 /nfs/dbraw/zinc/37/86/70/1430378670.db2.gz RFKWXNYLWZMUJM-NQIIRXRSSA-N 1 0 377.488 3.473 20 30 GGEDRO COc1ccc([C@H](CCO)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181911672 1430382082 /nfs/dbraw/zinc/38/20/82/1430382082.db2.gz YNXHHFBJRSOTAI-QHCPKHFHSA-N 1 0 379.504 3.245 20 30 GGEDRO COC(=O)NCc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181961677 1430389168 /nfs/dbraw/zinc/38/91/68/1430389168.db2.gz UCYMSHATQWSARB-UHFFFAOYSA-N 1 0 378.476 3.491 20 30 GGEDRO C[C@@](O)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000181966105 1430389762 /nfs/dbraw/zinc/38/97/62/1430389762.db2.gz FIJYHBKZXJAGNH-JOCHJYFZSA-N 1 0 385.458 3.298 20 30 GGEDRO Cn1c(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)nc2cc(F)ccc21 ZINC000181976147 1430390982 /nfs/dbraw/zinc/39/09/82/1430390982.db2.gz HFWYIXUCQJANLQ-UHFFFAOYSA-N 1 0 391.494 3.381 20 30 GGEDRO C[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000181978010 1430391251 /nfs/dbraw/zinc/39/12/51/1430391251.db2.gz RBGOJYZGSUVCET-IBGZPJMESA-N 1 0 376.504 3.338 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(C#N)c1 ZINC000181991061 1430392929 /nfs/dbraw/zinc/39/29/29/1430392929.db2.gz WGWSRGZSROGDBQ-INIZCTEOSA-N 1 0 382.895 3.211 20 30 GGEDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000182006354 1430395101 /nfs/dbraw/zinc/39/51/01/1430395101.db2.gz VPMBXZRRELFPCG-UHFFFAOYSA-N 1 0 391.515 3.397 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000182017937 1430397246 /nfs/dbraw/zinc/39/72/46/1430397246.db2.gz HTGAYIVUQSIBAK-UHFFFAOYSA-N 1 0 391.393 3.487 20 30 GGEDRO COc1cc(OC)cc(OCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182020408 1430397575 /nfs/dbraw/zinc/39/75/75/1430397575.db2.gz AVDKONPULGUWBV-UHFFFAOYSA-N 1 0 395.503 3.208 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182019362 1430397793 /nfs/dbraw/zinc/39/77/93/1430397793.db2.gz WOLHCABNYQERCK-UWJYYQICSA-N 1 0 378.476 3.086 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000182039529 1430400139 /nfs/dbraw/zinc/40/01/39/1430400139.db2.gz PLFQHFXSGIUWHY-UHFFFAOYSA-N 1 0 377.488 3.474 20 30 GGEDRO COc1cc(/C=C/C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1OCC#N ZINC000182073223 1430406334 /nfs/dbraw/zinc/40/63/34/1430406334.db2.gz RDWQGQFJKAICAY-KSEUIEODSA-N 1 0 393.487 3.247 20 30 GGEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182131423 1430417190 /nfs/dbraw/zinc/41/71/90/1430417190.db2.gz YNQUJDMICAEGFF-GOSISDBHSA-N 1 0 391.471 3.145 20 30 GGEDRO C[C@@H](CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000182136417 1430418184 /nfs/dbraw/zinc/41/81/84/1430418184.db2.gz BSAOSOKIWPFYMC-KKXNLOMOSA-N 1 0 399.539 3.207 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H]1CCCO1 ZINC000182336204 1430450235 /nfs/dbraw/zinc/45/02/35/1430450235.db2.gz MILOYUNSLGNLBJ-WOJBJXKFSA-N 1 0 380.492 3.452 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CCCO1 ZINC000182352655 1430452496 /nfs/dbraw/zinc/45/24/96/1430452496.db2.gz DHTKTPWAJRCYRV-RBUKOAKNSA-N 1 0 384.480 3.104 20 30 GGEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000182379189 1430455570 /nfs/dbraw/zinc/45/55/70/1430455570.db2.gz CJGNXILXNSMOIF-UHFFFAOYSA-N 1 0 381.517 3.220 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000182548361 1430489139 /nfs/dbraw/zinc/48/91/39/1430489139.db2.gz ALYAWVUCCCXFGL-UHFFFAOYSA-N 1 0 384.524 3.247 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557573 1430491346 /nfs/dbraw/zinc/49/13/46/1430491346.db2.gz LADKPPUOBHRWJB-KRWDZBQOSA-N 1 0 378.476 3.352 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182558327 1430491633 /nfs/dbraw/zinc/49/16/33/1430491633.db2.gz AAKVFIYFGKWVNX-WAIKUNEKSA-N 1 0 390.487 3.398 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182558288 1430491747 /nfs/dbraw/zinc/49/17/47/1430491747.db2.gz AAKVFIYFGKWVNX-MWTRTKDXSA-N 1 0 390.487 3.398 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000182565939 1430493566 /nfs/dbraw/zinc/49/35/66/1430493566.db2.gz WILDFOKIFZNADA-GOSISDBHSA-N 1 0 390.572 3.078 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182566602 1430493747 /nfs/dbraw/zinc/49/37/47/1430493747.db2.gz QNJUREPGLHRBDZ-QGZVFWFLSA-N 1 0 378.476 3.352 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000182567334 1430494212 /nfs/dbraw/zinc/49/42/12/1430494212.db2.gz FVLRATBRDTWWPP-KRWDZBQOSA-N 1 0 384.524 3.246 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccc(Cl)c1 ZINC000182594532 1430499379 /nfs/dbraw/zinc/49/93/79/1430499379.db2.gz QFGWGEUYRSSZQA-RTBURBONSA-N 1 0 376.932 3.073 20 30 GGEDRO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCc2ccccc21 ZINC000182625179 1430504664 /nfs/dbraw/zinc/50/46/64/1430504664.db2.gz BQLKKKBXNWTLRG-WOJBJXKFSA-N 1 0 394.544 3.076 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCCN(c4ccccc4C#N)CC3)C2=O)cc1 ZINC000182654630 1430511073 /nfs/dbraw/zinc/51/10/73/1430511073.db2.gz SXMHETRLGMIXGA-HSZRJFAPSA-N 1 0 399.498 3.138 20 30 GGEDRO C[NH+](C)CCn1ccc(NC(=O)c2ccccc2Oc2ccccc2C#N)n1 ZINC000182663110 1430512706 /nfs/dbraw/zinc/51/27/06/1430512706.db2.gz LFJCRRSWQYRABK-UHFFFAOYSA-N 1 0 375.432 3.361 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(cccc3OC)C2)c(OC)c1 ZINC000182715953 1430525468 /nfs/dbraw/zinc/52/54/68/1430525468.db2.gz ZXNDQLPFHZYXLR-IBGZPJMESA-N 1 0 383.488 3.230 20 30 GGEDRO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182770099 1430537034 /nfs/dbraw/zinc/53/70/34/1430537034.db2.gz PLPNAYQTGMDAOT-XLIONFOSSA-N 1 0 394.544 3.076 20 30 GGEDRO CCS(=O)(=O)Nc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182775302 1430537771 /nfs/dbraw/zinc/53/77/71/1430537771.db2.gz HXGQVANSCFSPEW-UHFFFAOYSA-N 1 0 398.532 3.396 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(OC[C@H]4CCCCO4)CC3)C2=O)cc1 ZINC000182832619 1430549861 /nfs/dbraw/zinc/54/98/61/1430549861.db2.gz KQZUJRKMGUINJG-FGZHOGPDSA-N 1 0 397.519 3.104 20 30 GGEDRO N#CCc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182880708 1430560945 /nfs/dbraw/zinc/56/09/45/1430560945.db2.gz AQZIUQOTHJUHHN-OAQYLSRUSA-N 1 0 378.476 3.031 20 30 GGEDRO N#Cc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000182882030 1430561272 /nfs/dbraw/zinc/56/12/72/1430561272.db2.gz JTTXICUQFXUXJZ-IBGZPJMESA-N 1 0 398.894 3.490 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182890907 1430563724 /nfs/dbraw/zinc/56/37/24/1430563724.db2.gz YESXBJMHVOSCER-WIYYLYMNSA-N 1 0 398.551 3.369 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182892672 1430563903 /nfs/dbraw/zinc/56/39/03/1430563903.db2.gz UOOUDGAORYEVPK-NRFANRHFSA-N 1 0 397.494 3.290 20 30 GGEDRO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182899432 1430566050 /nfs/dbraw/zinc/56/60/50/1430566050.db2.gz ZTTRWQFJMOSODC-QFIPXVFZSA-N 1 0 379.504 3.151 20 30 GGEDRO COc1ccc(C(=O)N(C)C)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182907914 1430568431 /nfs/dbraw/zinc/56/84/31/1430568431.db2.gz XXLRRQFVCXSWHI-UHFFFAOYSA-N 1 0 392.503 3.345 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182921728 1430572025 /nfs/dbraw/zinc/57/20/25/1430572025.db2.gz CNDWPGCSXVWNNJ-AEFFLSMTSA-N 1 0 384.524 3.377 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182921709 1430572054 /nfs/dbraw/zinc/57/20/54/1430572054.db2.gz CNDWPGCSXVWNNJ-WMZOPIPTSA-N 1 0 384.524 3.377 20 30 GGEDRO Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1NS(C)(=O)=O ZINC000182941214 1430576671 /nfs/dbraw/zinc/57/66/71/1430576671.db2.gz ITHMRJDDIIORMZ-UHFFFAOYSA-N 1 0 398.532 3.315 20 30 GGEDRO Cc1c([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cnn1-c1ccc(F)cc1 ZINC000182999907 1430589076 /nfs/dbraw/zinc/58/90/76/1430589076.db2.gz KSCIVQXSSIUYGQ-OAHLLOKOSA-N 1 0 383.471 3.313 20 30 GGEDRO C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(OCC#N)cc1 ZINC000183013013 1430592476 /nfs/dbraw/zinc/59/24/76/1430592476.db2.gz VHISMZPHMYLRQY-IIBYNOLFSA-N 1 0 378.476 3.212 20 30 GGEDRO CCNC(=O)COc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000183051113 1430600536 /nfs/dbraw/zinc/60/05/36/1430600536.db2.gz LJVAROKTGRDKME-UHFFFAOYSA-N 1 0 392.503 3.150 20 30 GGEDRO CC[C@@H](C)Oc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000183065649 1430603268 /nfs/dbraw/zinc/60/32/68/1430603268.db2.gz ZSCPJVXZSNDKLM-QGZVFWFLSA-N 1 0 380.492 3.335 20 30 GGEDRO CC1([C@@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)OCCO1 ZINC000183243321 1430658250 /nfs/dbraw/zinc/65/82/50/1430658250.db2.gz HLUKRTKGQDSECI-HXUWFJFHSA-N 1 0 380.492 3.439 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)ccc1OC ZINC000183257267 1430661576 /nfs/dbraw/zinc/66/15/76/1430661576.db2.gz MYLMYWSDXWYLAW-INIZCTEOSA-N 1 0 385.430 3.492 20 30 GGEDRO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CC1 ZINC000183456496 1430716138 /nfs/dbraw/zinc/71/61/38/1430716138.db2.gz OEIDIAOCIVNUCY-FQEVSTJZSA-N 1 0 398.482 3.117 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183574324 1430744582 /nfs/dbraw/zinc/74/45/82/1430744582.db2.gz QQTVWERKZMZKQD-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183747336 1430785947 /nfs/dbraw/zinc/78/59/47/1430785947.db2.gz DEIBMQSHYCYZGY-OAQYLSRUSA-N 1 0 376.504 3.483 20 30 GGEDRO Cc1cc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c(C)o1 ZINC000183806876 1430798729 /nfs/dbraw/zinc/79/87/29/1430798729.db2.gz WNAIDZYVKHFRCA-MAUKXSAKSA-N 1 0 386.521 3.018 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2ncc(C)s2)c(OC)c1 ZINC000183924923 1430813966 /nfs/dbraw/zinc/81/39/66/1430813966.db2.gz REUANCUTXRBQBN-INIZCTEOSA-N 1 0 376.522 3.453 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1CN1CCNC1=O)C(C)C ZINC000183957295 1430818563 /nfs/dbraw/zinc/81/85/63/1430818563.db2.gz KZVDDHJXROUTPD-FQEVSTJZSA-N 1 0 399.539 3.032 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](CC(N)=O)c3cccc(Cl)c3)CC2)cc1 ZINC000183966975 1430819844 /nfs/dbraw/zinc/81/98/44/1430819844.db2.gz RGHCBSSQOCPLSX-OAQYLSRUSA-N 1 0 396.922 3.382 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184299574 1430870590 /nfs/dbraw/zinc/87/05/90/1430870590.db2.gz OVXQHLVASWLVQN-HNNXBMFYSA-N 1 0 399.457 3.026 20 30 GGEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000184321566 1430873048 /nfs/dbraw/zinc/87/30/48/1430873048.db2.gz HNSUYOJEJFQHDW-DLBZAZTESA-N 1 0 389.569 3.086 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)[C@H](C)C1 ZINC000184330890 1430874021 /nfs/dbraw/zinc/87/40/21/1430874021.db2.gz BMELENCQHIHDSY-SQNIBIBYSA-N 1 0 388.512 3.236 20 30 GGEDRO C#CCNC(=O)c1ccc(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nc1 ZINC000184351119 1430876464 /nfs/dbraw/zinc/87/64/64/1430876464.db2.gz DGHJDBOMDCWFLC-QGZVFWFLSA-N 1 0 390.409 3.178 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[S@@](C)=O ZINC000184370279 1430879426 /nfs/dbraw/zinc/87/94/26/1430879426.db2.gz AGWIATHMMCVDID-MUUNZHRXSA-N 1 0 398.532 3.032 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 ZINC000184411825 1430884760 /nfs/dbraw/zinc/88/47/60/1430884760.db2.gz GCRMHOOHTQCMPW-UHFFFAOYSA-N 1 0 397.527 3.264 20 30 GGEDRO Cc1cnc([C@@H](C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000184459890 1430890093 /nfs/dbraw/zinc/89/00/93/1430890093.db2.gz HVPNQIIQKOXNTJ-INIZCTEOSA-N 1 0 397.548 3.344 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000184608041 1430917693 /nfs/dbraw/zinc/91/76/93/1430917693.db2.gz QEMUUZBJEMXQRJ-SFHVURJKSA-N 1 0 398.463 3.135 20 30 GGEDRO CCN(C(=O)NCc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184610944 1430918955 /nfs/dbraw/zinc/91/89/55/1430918955.db2.gz WAHFJEWJETZLIT-NRFANRHFSA-N 1 0 392.503 3.395 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000184619454 1430921627 /nfs/dbraw/zinc/92/16/27/1430921627.db2.gz DYRSTPXSBFSDQO-XLIONFOSSA-N 1 0 398.507 3.064 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2sc(-c3ccccc3)nc2C)CC1 ZINC000184631459 1430924541 /nfs/dbraw/zinc/92/45/41/1430924541.db2.gz FPUCMQPMYFLNRF-UHFFFAOYSA-N 1 0 398.532 3.214 20 30 GGEDRO CCO[C@@H]1C[C@@H](NC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C12CCOCC2 ZINC000184643964 1430928341 /nfs/dbraw/zinc/92/83/41/1430928341.db2.gz OTWFDHOVDBPZBF-HUUCEWRRSA-N 1 0 387.402 3.286 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1cccc(C#N)c1 ZINC000184740122 1430960667 /nfs/dbraw/zinc/96/06/67/1430960667.db2.gz BMXXVUOCPKLVNL-ROUUACIJSA-N 1 0 376.504 3.243 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000184747716 1430964083 /nfs/dbraw/zinc/96/40/83/1430964083.db2.gz OLCFUIRMOMMJHV-WOJBJXKFSA-N 1 0 396.579 3.417 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000184747695 1430964399 /nfs/dbraw/zinc/96/43/99/1430964399.db2.gz OLCFUIRMOMMJHV-PMACEKPBSA-N 1 0 396.579 3.417 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)Nc1sccc1C#N ZINC000184750219 1430965286 /nfs/dbraw/zinc/96/52/86/1430965286.db2.gz GFCCISTXLAOYBA-HZPDHXFCSA-N 1 0 382.533 3.304 20 30 GGEDRO C#CCOc1ccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000184754073 1430966553 /nfs/dbraw/zinc/96/65/53/1430966553.db2.gz RQXPTNJFHRETTH-UHFFFAOYSA-N 1 0 396.487 3.047 20 30 GGEDRO C[NH+](C)CC1(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCCC1 ZINC000185161954 1431075051 /nfs/dbraw/zinc/07/50/51/1431075051.db2.gz SIHATNDTVJUGHG-UHFFFAOYSA-N 1 0 384.524 3.233 20 30 GGEDRO Cc1cn(-c2ccccc2)nc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000185201944 1431083660 /nfs/dbraw/zinc/08/36/60/1431083660.db2.gz IWWUIRHOYCBMHV-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO CC[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000185332710 1431117171 /nfs/dbraw/zinc/11/71/71/1431117171.db2.gz WAVXEHNJBPMXCO-OAQYLSRUSA-N 1 0 377.488 3.254 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(O)(c4ccccc4)CC3)C2=O)cc1 ZINC000185519484 1431163348 /nfs/dbraw/zinc/16/33/48/1431163348.db2.gz FASMMFTTWIQABL-NRFANRHFSA-N 1 0 375.472 3.037 20 30 GGEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000185588935 1431177912 /nfs/dbraw/zinc/17/79/12/1431177912.db2.gz WPGAOUCVVVAXPH-UHFFFAOYSA-N 1 0 386.521 3.277 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1C#N ZINC000185592800 1431178908 /nfs/dbraw/zinc/17/89/08/1431178908.db2.gz PZYLSCXXSCKHMY-OAQYLSRUSA-N 1 0 392.503 3.078 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000185636428 1431190633 /nfs/dbraw/zinc/19/06/33/1431190633.db2.gz AQXGOEHJDLQEJY-GXTWGEPZSA-N 1 0 399.461 3.444 20 30 GGEDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H]1CCC[C@@H](C#N)C1)CC2 ZINC000185825197 1431245324 /nfs/dbraw/zinc/24/53/24/1431245324.db2.gz UXMGGHIAHNMZHU-APWZRJJASA-N 1 0 385.508 3.041 20 30 GGEDRO C=C(C)[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000185829285 1431245512 /nfs/dbraw/zinc/24/55/12/1431245512.db2.gz DQMUFRASZWPDAO-APWZRJJASA-N 1 0 381.467 3.334 20 30 GGEDRO C=C(C)[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000185831463 1431246429 /nfs/dbraw/zinc/24/64/29/1431246429.db2.gz NEVVJDQKQRDLFU-FQEVSTJZSA-N 1 0 394.510 3.249 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000185833971 1431246850 /nfs/dbraw/zinc/24/68/50/1431246850.db2.gz NSELEZCBKVULTO-MGPUTAFESA-N 1 0 393.478 3.477 20 30 GGEDRO Cc1cn(-c2ccccc2)nc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000185848486 1431250829 /nfs/dbraw/zinc/25/08/29/1431250829.db2.gz ZUIHKAOVGPTWBZ-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000185870216 1431257674 /nfs/dbraw/zinc/25/76/74/1431257674.db2.gz XDINFBWCTCLGAN-STQMWFEESA-N 1 0 376.400 3.031 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NC[C@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000185954577 1431294959 /nfs/dbraw/zinc/29/49/59/1431294959.db2.gz KQZJYXSZZWNPQQ-MRXNPFEDSA-N 1 0 395.425 3.497 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000186039249 1431317270 /nfs/dbraw/zinc/31/72/70/1431317270.db2.gz FQLKMRXLPQKFBC-KRWDZBQOSA-N 1 0 384.501 3.089 20 30 GGEDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186064712 1431322961 /nfs/dbraw/zinc/32/29/61/1431322961.db2.gz ONUCEMXAYVGOCP-UHFFFAOYSA-N 1 0 391.924 3.354 20 30 GGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000186192365 1431349844 /nfs/dbraw/zinc/34/98/44/1431349844.db2.gz QTJCJHXLRWPINA-JOCHJYFZSA-N 1 0 389.547 3.296 20 30 GGEDRO Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1NC(=O)CC[NH+](C)C ZINC000186207326 1431352506 /nfs/dbraw/zinc/35/25/06/1431352506.db2.gz FOWSDZJCEDWQDD-UHFFFAOYSA-N 1 0 386.402 3.287 20 30 GGEDRO C#CCOc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000186241325 1431360506 /nfs/dbraw/zinc/36/05/06/1431360506.db2.gz YNISPLFFVPPDES-UHFFFAOYSA-N 1 0 379.460 3.150 20 30 GGEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000186278300 1431369998 /nfs/dbraw/zinc/36/99/98/1431369998.db2.gz OBPGYLOCZJKBEZ-KRWDZBQOSA-N 1 0 399.516 3.170 20 30 GGEDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC000186286274 1431372097 /nfs/dbraw/zinc/37/20/97/1431372097.db2.gz MCVZNVRFGRVSGO-HXUWFJFHSA-N 1 0 397.544 3.366 20 30 GGEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCOc1ccccc1C#N ZINC000186303876 1431376409 /nfs/dbraw/zinc/37/64/09/1431376409.db2.gz LOKLBSFVFRPTCT-QGZVFWFLSA-N 1 0 399.516 3.170 20 30 GGEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000186305123 1431376977 /nfs/dbraw/zinc/37/69/77/1431376977.db2.gz JBUHIASTASRMDE-OAHLLOKOSA-N 1 0 387.480 3.430 20 30 GGEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000186423587 1431413538 /nfs/dbraw/zinc/41/35/38/1431413538.db2.gz KEPCWROCLZKZFO-UHFFFAOYSA-N 1 0 381.476 3.049 20 30 GGEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ncccc1OCCCC#N ZINC000186448819 1431422428 /nfs/dbraw/zinc/42/24/28/1431422428.db2.gz NFINLFQPTISMFZ-UHFFFAOYSA-N 1 0 387.509 3.421 20 30 GGEDRO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000186478697 1431430873 /nfs/dbraw/zinc/43/08/73/1431430873.db2.gz UMIPYVUUZDVVSS-HXOBKFHXSA-N 1 0 392.503 3.475 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186482223 1431432453 /nfs/dbraw/zinc/43/24/53/1431432453.db2.gz NLXNOIFXZLYJEH-UHFFFAOYSA-N 1 0 385.414 3.149 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCC[C@@H]3CCCCO3)CC2)cc1 ZINC000186629055 1431474131 /nfs/dbraw/zinc/47/41/31/1431474131.db2.gz GKZFITBYZQHSDH-NRFANRHFSA-N 1 0 384.524 3.125 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000186680846 1431490632 /nfs/dbraw/zinc/49/06/32/1431490632.db2.gz GFDFJRIQSSENKM-RDTXWAMCSA-N 1 0 381.467 3.069 20 30 GGEDRO Cc1csc([C@H](C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000186798830 1431519418 /nfs/dbraw/zinc/51/94/18/1431519418.db2.gz JLNCXUYXCAFAJZ-OAHLLOKOSA-N 1 0 385.537 3.200 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186837187 1431533648 /nfs/dbraw/zinc/53/36/48/1431533648.db2.gz SFGPADIPVKZHOR-MRXNPFEDSA-N 1 0 391.512 3.059 20 30 GGEDRO CN1c2ccc(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000186860782 1431544454 /nfs/dbraw/zinc/54/44/54/1431544454.db2.gz MVYKXNDELAMZNO-UHFFFAOYSA-N 1 0 388.515 3.175 20 30 GGEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCCCCc2ccc(F)cc2)CC1 ZINC000186881869 1431553137 /nfs/dbraw/zinc/55/31/37/1431553137.db2.gz VZZCRVHREFVHRB-UHFFFAOYSA-N 1 0 378.492 3.064 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186929107 1431568568 /nfs/dbraw/zinc/56/85/68/1431568568.db2.gz KPGMWBYMWZLDFI-UHFFFAOYSA-N 1 0 384.451 3.154 20 30 GGEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccccc1OC)[n+]1cccc(CO)c1 ZINC000186973454 1431580563 /nfs/dbraw/zinc/58/05/63/1431580563.db2.gz GHOXLQDTEHJWCI-UHFFFAOYSA-O 1 0 387.525 3.192 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccccc3)c(NC(C)=O)s2)CC1 ZINC000187006796 1431587913 /nfs/dbraw/zinc/58/79/13/1431587913.db2.gz MOLCUYWFNFSCOW-UHFFFAOYSA-N 1 0 382.489 3.052 20 30 GGEDRO COCCC1(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)CCCCC1 ZINC000187056911 1431601333 /nfs/dbraw/zinc/60/13/33/1431601333.db2.gz OCBVKMDDXAFNHB-UHFFFAOYSA-N 1 0 377.529 3.138 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187238694 1431661230 /nfs/dbraw/zinc/66/12/30/1431661230.db2.gz BMEQLXNFNUYQGB-HTAPYJJXSA-N 1 0 381.524 3.154 20 30 GGEDRO C=C(C)[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000187272404 1431676690 /nfs/dbraw/zinc/67/66/90/1431676690.db2.gz WMOQAQVPTPBGSV-ZRGWGRIASA-N 1 0 381.467 3.381 20 30 GGEDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000187523244 1431755704 /nfs/dbraw/zinc/75/57/04/1431755704.db2.gz GCBMRIWATDXVSA-HXUWFJFHSA-N 1 0 375.538 3.312 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3OC)c2CC)CC1 ZINC000187629564 1431782601 /nfs/dbraw/zinc/78/26/01/1431782601.db2.gz ZVYOBRNSWOGCBZ-UHFFFAOYSA-N 1 0 382.508 3.214 20 30 GGEDRO CCOC(=O)N1CCC([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000187695184 1431801098 /nfs/dbraw/zinc/80/10/98/1431801098.db2.gz HMXVUZKFUBYEPW-SFHVURJKSA-N 1 0 398.551 3.369 20 30 GGEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187771343 1431810435 /nfs/dbraw/zinc/81/04/35/1431810435.db2.gz HDRSVFXZUMKUJG-MOPGFXCFSA-N 1 0 381.444 3.309 20 30 GGEDRO C=C(C)[C@@H]([NH2+]C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187779930 1431811638 /nfs/dbraw/zinc/81/16/38/1431811638.db2.gz JTLWNYFFVIVSPY-UXHICEINSA-N 1 0 395.471 3.483 20 30 GGEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000187793692 1431812966 /nfs/dbraw/zinc/81/29/66/1431812966.db2.gz WHYRYFSLUCJVEK-HNNXBMFYSA-N 1 0 396.466 3.036 20 30 GGEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000187793674 1431813064 /nfs/dbraw/zinc/81/30/64/1431813064.db2.gz WHYRYFSLUCJVEK-OAHLLOKOSA-N 1 0 396.466 3.036 20 30 GGEDRO C=C(C)[C@@H](NC(=O)NC1CC[NH+](CCCOC)CC1)c1ccc(F)c(F)c1 ZINC000188024296 1431837392 /nfs/dbraw/zinc/83/73/92/1431837392.db2.gz LQFMSHYPAZJHNL-LJQANCHMSA-N 1 0 381.467 3.382 20 30 GGEDRO C#CCOc1ccccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000188034710 1431838404 /nfs/dbraw/zinc/83/84/04/1431838404.db2.gz WREQOHHEYZDHJL-HXUWFJFHSA-N 1 0 377.488 3.385 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000188041018 1431839097 /nfs/dbraw/zinc/83/90/97/1431839097.db2.gz RTIKQGIXNPKOKP-SFHVURJKSA-N 1 0 381.879 3.212 20 30 GGEDRO CCSc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000188110671 1431847863 /nfs/dbraw/zinc/84/78/63/1431847863.db2.gz WQWSHKOBAOYAAG-UHFFFAOYSA-N 1 0 397.548 3.339 20 30 GGEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCC[N@@H+]3CCCOCC3)cc2)c1 ZINC000188170416 1431856301 /nfs/dbraw/zinc/85/63/01/1431856301.db2.gz KTMISIHVFPNFCQ-UHFFFAOYSA-N 1 0 380.448 3.194 20 30 GGEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C[C@H](C)O1 ZINC000188176550 1431857219 /nfs/dbraw/zinc/85/72/19/1431857219.db2.gz UNUVTOPZDXXLGY-OALUTQOASA-N 1 0 395.547 3.328 20 30 GGEDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000188249978 1431865690 /nfs/dbraw/zinc/86/56/90/1431865690.db2.gz NJGFWDQPHIOZRK-UHFFFAOYSA-N 1 0 391.459 3.320 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000188301590 1431871076 /nfs/dbraw/zinc/87/10/76/1431871076.db2.gz AWUHNUJOBQNSPT-UXHICEINSA-N 1 0 394.510 3.153 20 30 GGEDRO C=CCC[C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000188362206 1431877117 /nfs/dbraw/zinc/87/71/17/1431877117.db2.gz HLKSTVWBWFVTNG-OAQYLSRUSA-N 1 0 378.520 3.200 20 30 GGEDRO N#Cc1c(F)cccc1C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000188423535 1431883094 /nfs/dbraw/zinc/88/30/94/1431883094.db2.gz DCQRMBGODIXIFX-UHFFFAOYSA-N 1 0 394.494 3.025 20 30 GGEDRO C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000188431868 1431883753 /nfs/dbraw/zinc/88/37/53/1431883753.db2.gz NAHURIOCZLKQEL-HTAPYJJXSA-N 1 0 391.531 3.374 20 30 GGEDRO C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000188629215 1431910190 /nfs/dbraw/zinc/91/01/90/1431910190.db2.gz BHDUCFFSJSALBJ-QGZVFWFLSA-N 1 0 377.488 3.142 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000188730841 1431949096 /nfs/dbraw/zinc/94/90/96/1431949096.db2.gz BYMXVTOKEYUDGG-HKUYNNGSSA-N 1 0 393.491 3.406 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000188771514 1431967811 /nfs/dbraw/zinc/96/78/11/1431967811.db2.gz BVTYVHZCYHOGOV-UHFFFAOYSA-N 1 0 394.479 3.197 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000188778958 1431971504 /nfs/dbraw/zinc/97/15/04/1431971504.db2.gz FCJTZJCQCYTXHD-UHFFFAOYSA-N 1 0 385.512 3.494 20 30 GGEDRO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188964069 1432017566 /nfs/dbraw/zinc/01/75/66/1432017566.db2.gz UIVOSBCDVREZGE-QGZVFWFLSA-N 1 0 385.430 3.124 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(F)c3C#N)cc2)C[C@@H](C)O1 ZINC000188999891 1432024544 /nfs/dbraw/zinc/02/45/44/1432024544.db2.gz UQYAJCBODUMHIE-HZPDHXFCSA-N 1 0 381.451 3.237 20 30 GGEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000189029044 1432029809 /nfs/dbraw/zinc/02/98/09/1432029809.db2.gz AEHSIZXJFMRZDL-SIKLNZKXSA-N 1 0 387.524 3.020 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cccc(F)c2C#N)cc1OC ZINC000189059595 1432036803 /nfs/dbraw/zinc/03/68/03/1432036803.db2.gz OWXVQJWJDRMRRX-UHFFFAOYSA-N 1 0 399.466 3.357 20 30 GGEDRO C=CCc1cc(C[NH2+][C@H](C)C2CCN(C(=O)OCC)CC2)cc(OC)c1O ZINC000189365421 1432093746 /nfs/dbraw/zinc/09/37/46/1432093746.db2.gz PZGRWEZHFCFYJN-OAHLLOKOSA-N 1 0 376.497 3.476 20 30 GGEDRO N#Cc1cc(NC(=O)NCC2CC[NH+](CCO)CC2)ccc1Oc1ccccc1 ZINC000189471299 1432124098 /nfs/dbraw/zinc/12/40/98/1432124098.db2.gz JSZIOGFCPJWYGC-UHFFFAOYSA-N 1 0 394.475 3.176 20 30 GGEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189478068 1432128529 /nfs/dbraw/zinc/12/85/29/1432128529.db2.gz CBNZUKCIRIRYLP-KRWDZBQOSA-N 1 0 393.491 3.108 20 30 GGEDRO C=CC[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000189486105 1432131458 /nfs/dbraw/zinc/13/14/58/1432131458.db2.gz HAZLFGCVZOLKGE-JOCHJYFZSA-N 1 0 397.563 3.187 20 30 GGEDRO COCCc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000189510596 1432141425 /nfs/dbraw/zinc/14/14/25/1432141425.db2.gz IXFYLYUNHGTWJY-UHFFFAOYSA-N 1 0 392.503 3.487 20 30 GGEDRO C[C@@H]([NH2+]C1(CNC(=O)c2cccc(F)c2C#N)CCOCC1)c1ccccc1 ZINC000189540063 1432153683 /nfs/dbraw/zinc/15/36/83/1432153683.db2.gz CNUOFAJLIHOTKJ-MRXNPFEDSA-N 1 0 381.451 3.327 20 30 GGEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000189564044 1432160583 /nfs/dbraw/zinc/16/05/83/1432160583.db2.gz VPDDZFXTKYEVKF-DYESRHJHSA-N 1 0 390.487 3.008 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2-c2ccc(C)s2)CC1 ZINC000189580041 1432165794 /nfs/dbraw/zinc/16/57/94/1432165794.db2.gz NGLCLAPKECUMHM-UHFFFAOYSA-N 1 0 398.532 3.214 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)CC1 ZINC000189845766 1432251625 /nfs/dbraw/zinc/25/16/25/1432251625.db2.gz UPUHOHILZJVTOK-UHFFFAOYSA-N 1 0 383.496 3.102 20 30 GGEDRO COC(=O)[C@@](C)(C[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000189935373 1432280119 /nfs/dbraw/zinc/28/01/19/1432280119.db2.gz GSEXLHMFHCUPPR-QKKBWIMNSA-N 1 0 399.878 3.259 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)Nc1ccc(C#N)cc1 ZINC000189955799 1432288392 /nfs/dbraw/zinc/28/83/92/1432288392.db2.gz UBRAWHZNRSZMKE-QZTJIDSGSA-N 1 0 376.504 3.243 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCOC[C@H]1c1nc(C)cs1)C(C)C ZINC000190069771 1432314027 /nfs/dbraw/zinc/31/40/27/1432314027.db2.gz ZLEXGEWQMKXHCK-MSOLQXFVSA-N 1 0 392.569 3.233 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000190186676 1432336097 /nfs/dbraw/zinc/33/60/97/1432336097.db2.gz GOMRKJKWXQZOSV-HOTGVXAUSA-N 1 0 390.553 3.247 20 30 GGEDRO CCN(CCC[NH+]1CCCC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000190233073 1432345765 /nfs/dbraw/zinc/34/57/65/1432345765.db2.gz KFAJTWAAVCRUIE-UHFFFAOYSA-N 1 0 399.539 3.161 20 30 GGEDRO C=CCc1cc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314511 1432359178 /nfs/dbraw/zinc/35/91/78/1432359178.db2.gz VPSCKPKVALJRKT-DEOSSOPVSA-N 1 0 396.531 3.198 20 30 GGEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000190331917 1432363264 /nfs/dbraw/zinc/36/32/64/1432363264.db2.gz BCECYMCPKAKXST-UHFFFAOYSA-N 1 0 396.878 3.427 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000190332493 1432363284 /nfs/dbraw/zinc/36/32/84/1432363284.db2.gz FVTPHPFTCUNWNY-UHFFFAOYSA-N 1 0 376.460 3.082 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)CC1 ZINC000190558440 1432406037 /nfs/dbraw/zinc/40/60/37/1432406037.db2.gz PBIBHKSYRSTEBV-UHFFFAOYSA-N 1 0 384.524 3.297 20 30 GGEDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000190604274 1432417303 /nfs/dbraw/zinc/41/73/03/1432417303.db2.gz SVYSPSBGUXIFOK-VQTJNVASSA-N 1 0 378.432 3.308 20 30 GGEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000190604288 1432417473 /nfs/dbraw/zinc/41/74/73/1432417473.db2.gz SVYSPSBGUXIFOK-WOJBJXKFSA-N 1 0 378.432 3.308 20 30 GGEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190603663 1432417568 /nfs/dbraw/zinc/41/75/68/1432417568.db2.gz UPEYICGJYGPFFP-VGOFRKELSA-N 1 0 377.488 3.279 20 30 GGEDRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190604386 1432417857 /nfs/dbraw/zinc/41/78/57/1432417857.db2.gz VNGUCWQUVORCOO-HTAPYJJXSA-N 1 0 393.487 3.035 20 30 GGEDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190604401 1432418051 /nfs/dbraw/zinc/41/80/51/1432418051.db2.gz VNGUCWQUVORCOO-VGOFRKELSA-N 1 0 393.487 3.035 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1N(C)C ZINC000190608520 1432419170 /nfs/dbraw/zinc/41/91/70/1432419170.db2.gz BVWAJSLUQPKSBK-QRWLVFNGSA-N 1 0 380.467 3.215 20 30 GGEDRO COCc1cc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC ZINC000190624157 1432423790 /nfs/dbraw/zinc/42/37/90/1432423790.db2.gz OWHBSFUNTAVREK-IIBYNOLFSA-N 1 0 393.487 3.165 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000190624110 1432423850 /nfs/dbraw/zinc/42/38/50/1432423850.db2.gz QTZASSGWLRCTPK-UZLBHIALSA-N 1 0 391.471 3.171 20 30 GGEDRO COCc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC ZINC000190624177 1432423976 /nfs/dbraw/zinc/42/39/76/1432423976.db2.gz OWHBSFUNTAVREK-KKSFZXQISA-N 1 0 393.487 3.165 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190629693 1432425424 /nfs/dbraw/zinc/42/54/24/1432425424.db2.gz AOEAQACSKZTWJA-DNVCBOLYSA-N 1 0 379.460 3.027 20 30 GGEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000190630289 1432426088 /nfs/dbraw/zinc/42/60/88/1432426088.db2.gz AEXLQYXBSSKRCC-HNAYVOBHSA-N 1 0 378.432 3.227 20 30 GGEDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190634185 1432427463 /nfs/dbraw/zinc/42/74/63/1432427463.db2.gz UELPVCIHJPRRNX-FCHUYYIVSA-N 1 0 395.478 3.036 20 30 GGEDRO Cn1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C#N ZINC000190788099 1432480159 /nfs/dbraw/zinc/48/01/59/1432480159.db2.gz MYMMYCVVRRQXRN-UHFFFAOYSA-N 1 0 378.398 3.042 20 30 GGEDRO C=CCOc1ccccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190967772 1432539812 /nfs/dbraw/zinc/53/98/12/1432539812.db2.gz USXBFPFKKABWQQ-FQEVSTJZSA-N 1 0 380.488 3.272 20 30 GGEDRO C[N@@H+]1CC[C@@H](CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)C1 ZINC000191049480 1432557148 /nfs/dbraw/zinc/55/71/48/1432557148.db2.gz MNWYPOMQBHPOTF-MRXNPFEDSA-N 1 0 376.485 3.301 20 30 GGEDRO COc1cc(-c2noc(CCCCC[NH2+]Cc3cc(C#N)n(C)c3)n2)ccc1O ZINC000191051609 1432557669 /nfs/dbraw/zinc/55/76/69/1432557669.db2.gz GUNKNJASUKNLBY-UHFFFAOYSA-N 1 0 395.463 3.164 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1C#N ZINC000191195571 1432588162 /nfs/dbraw/zinc/58/81/62/1432588162.db2.gz WMNLBJSVMLCZPM-CQSZACIVSA-N 1 0 388.397 3.338 20 30 GGEDRO COCCN(C)c1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cn1 ZINC000191255450 1432608012 /nfs/dbraw/zinc/60/80/12/1432608012.db2.gz CIRUDDZYDDPRTA-UHFFFAOYSA-N 1 0 380.492 3.079 20 30 GGEDRO COC(=O)[C@](C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000191581680 1432686743 /nfs/dbraw/zinc/68/67/43/1432686743.db2.gz KHVHTKRVZYCMIW-XMMPIXPASA-N 1 0 391.515 3.243 20 30 GGEDRO Cn1cc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1C#N ZINC000191615052 1432693359 /nfs/dbraw/zinc/69/33/59/1432693359.db2.gz LTORDOLPIYHCQF-UHFFFAOYSA-N 1 0 390.409 3.310 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@H](C)Cc2ccccc2)cc1 ZINC000191697915 1432708843 /nfs/dbraw/zinc/70/88/43/1432708843.db2.gz AYTIQVSYYBLLRQ-QGZVFWFLSA-O 1 0 393.536 3.176 20 30 GGEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(C(F)(F)F)cc2C)CC1 ZINC000191732833 1432714020 /nfs/dbraw/zinc/71/40/20/1432714020.db2.gz OVKIIIRBLVUNJA-UHFFFAOYSA-N 1 0 386.418 3.039 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191877357 1432745263 /nfs/dbraw/zinc/74/52/63/1432745263.db2.gz KUIFCEVYPSGZSW-FQEVSTJZSA-N 1 0 378.476 3.279 20 30 GGEDRO C#CCOc1ccccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191939229 1432760750 /nfs/dbraw/zinc/76/07/50/1432760750.db2.gz ZHTAZXSPSCWVSV-FQEVSTJZSA-N 1 0 393.487 3.111 20 30 GGEDRO CCC[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000191938299 1432761338 /nfs/dbraw/zinc/76/13/38/1432761338.db2.gz MVNKXFCPWRFDKI-UHFFFAOYSA-N 1 0 385.533 3.232 20 30 GGEDRO N#Cc1ccc(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1F ZINC000191975492 1432772833 /nfs/dbraw/zinc/77/28/33/1432772833.db2.gz XBDFRWAHFLTGQG-FQEVSTJZSA-N 1 0 393.510 3.127 20 30 GGEDRO O=C(NCC(F)(F)C(F)F)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000192020141 1432780671 /nfs/dbraw/zinc/78/06/71/1432780671.db2.gz NSASRSMSWLCGFQ-CQSZACIVSA-N 1 0 386.311 3.458 20 30 GGEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192044017 1432785530 /nfs/dbraw/zinc/78/55/30/1432785530.db2.gz JDWHGOGWUIXFIM-MOPGFXCFSA-N 1 0 390.892 3.105 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)C2=O)cc1 ZINC000192116643 1432800391 /nfs/dbraw/zinc/80/03/91/1432800391.db2.gz DWDOSPYZEAFZCH-QHAWAJNXSA-N 1 0 397.425 3.452 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)C2=O)cc1 ZINC000192116653 1432800437 /nfs/dbraw/zinc/80/04/37/1432800437.db2.gz DWDOSPYZEAFZCH-PCCBWWKXSA-N 1 0 397.425 3.452 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192126280 1432802513 /nfs/dbraw/zinc/80/25/13/1432802513.db2.gz URFOZCUMHZYHNL-FJNPEDAXSA-N 1 0 389.402 3.493 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192133714 1432804120 /nfs/dbraw/zinc/80/41/20/1432804120.db2.gz CYFTXZNEOSSOBB-RDJZCZTQSA-N 1 0 377.416 3.346 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000192135688 1432804300 /nfs/dbraw/zinc/80/43/00/1432804300.db2.gz XJFCBYGCFMMWFW-DOPJRALCSA-N 1 0 377.435 3.116 20 30 GGEDRO CN(C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1(C#N)CCCCC1 ZINC000192139403 1432805253 /nfs/dbraw/zinc/80/52/53/1432805253.db2.gz MNEYMDLCHMNSKL-MJGOQNOKSA-N 1 0 377.435 3.069 20 30 GGEDRO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192221674 1432818972 /nfs/dbraw/zinc/81/89/72/1432818972.db2.gz MKKBYCZFUQITPD-JOCHJYFZSA-N 1 0 380.488 3.272 20 30 GGEDRO CC1(C)Cc2cccc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2O1 ZINC000192244317 1432821735 /nfs/dbraw/zinc/82/17/35/1432821735.db2.gz GZDHHLCRBGZAKR-FQEVSTJZSA-N 1 0 375.472 3.162 20 30 GGEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000192244364 1432821755 /nfs/dbraw/zinc/82/17/55/1432821755.db2.gz PFDVZUCJSGBXKA-FQEVSTJZSA-N 1 0 391.471 3.022 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(OCC(F)F)cc3)C2=O)cc1 ZINC000192243291 1432821870 /nfs/dbraw/zinc/82/18/70/1432821870.db2.gz SSZLYCZWLKVERD-IBGZPJMESA-N 1 0 385.414 3.093 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(OCC4CC4)cc3)C2=O)cc1 ZINC000192244140 1432821882 /nfs/dbraw/zinc/82/18/82/1432821882.db2.gz CJBHLGRPVWIGKL-JOCHJYFZSA-N 1 0 375.472 3.238 20 30 GGEDRO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1SC ZINC000192245261 1432822061 /nfs/dbraw/zinc/82/20/61/1432822061.db2.gz YSKSFMNVYWPEPM-GOSISDBHSA-N 1 0 381.501 3.179 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000192464203 1432847684 /nfs/dbraw/zinc/84/76/84/1432847684.db2.gz AZWLEPBGASIPDJ-UHFFFAOYSA-N 1 0 378.476 3.077 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000192530399 1432855533 /nfs/dbraw/zinc/85/55/33/1432855533.db2.gz FLPHDCZZIOPAIV-QFIPXVFZSA-N 1 0 394.515 3.003 20 30 GGEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000192554895 1432859315 /nfs/dbraw/zinc/85/93/15/1432859315.db2.gz USBLUWLMUOYSHL-YFVAEKQCSA-N 1 0 396.535 3.070 20 30 GGEDRO C[C@H](CCO)[N@H+](Cc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192720305 1432879874 /nfs/dbraw/zinc/87/98/74/1432879874.db2.gz SLHGWRRMQUJTPV-XMSQKQJNSA-N 1 0 377.488 3.327 20 30 GGEDRO CCCN(CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000192827897 1432895693 /nfs/dbraw/zinc/89/56/93/1432895693.db2.gz VQGCSQFFIAWGQR-SFHVURJKSA-N 1 0 384.524 3.377 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000192958309 1432912966 /nfs/dbraw/zinc/91/29/66/1432912966.db2.gz AXRZSQILDBJLEY-FQEVSTJZSA-N 1 0 382.533 3.394 20 30 GGEDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCC1 ZINC000192963163 1432913977 /nfs/dbraw/zinc/91/39/77/1432913977.db2.gz QEZMWTZJWIPMJE-HXUWFJFHSA-N 1 0 398.551 3.443 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000192988301 1432917834 /nfs/dbraw/zinc/91/78/34/1432917834.db2.gz BAOXPCLTVLVRIN-INIZCTEOSA-N 1 0 389.908 3.012 20 30 GGEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCC(C)CC1 ZINC000193035402 1432925522 /nfs/dbraw/zinc/92/55/22/1432925522.db2.gz YAPCXFZZHBWXLJ-FQEVSTJZSA-N 1 0 398.551 3.299 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 ZINC000193045761 1432927152 /nfs/dbraw/zinc/92/71/52/1432927152.db2.gz ZKZWUPFVMIFIMC-IBGZPJMESA-N 1 0 384.524 3.053 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000193049725 1432928136 /nfs/dbraw/zinc/92/81/36/1432928136.db2.gz YRCVGKYUKQGDFK-OAQYLSRUSA-N 1 0 392.503 3.028 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193088668 1432934428 /nfs/dbraw/zinc/93/44/28/1432934428.db2.gz UHGASTZFLGARDM-HDICACEKSA-N 1 0 398.551 3.301 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193088697 1432934529 /nfs/dbraw/zinc/93/45/29/1432934529.db2.gz UHGASTZFLGARDM-QZTJIDSGSA-N 1 0 398.551 3.301 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2ncsc2c1)C(C)C ZINC000193107451 1432936916 /nfs/dbraw/zinc/93/69/16/1432936916.db2.gz FLXUOZAXWQDLHX-QGZVFWFLSA-N 1 0 386.521 3.050 20 30 GGEDRO N#CC(CC[NH2+][C@H](CC(N)=O)C1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000193117976 1432938957 /nfs/dbraw/zinc/93/89/57/1432938957.db2.gz SKMDGSUUGDKQDM-JOCHJYFZSA-N 1 0 391.515 3.147 20 30 GGEDRO CC(C)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000193572861 1433021928 /nfs/dbraw/zinc/02/19/28/1433021928.db2.gz PURXDOLKTGLUIG-UHFFFAOYSA-N 1 0 392.503 3.211 20 30 GGEDRO Cc1cc(Cl)ccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000193573553 1433022030 /nfs/dbraw/zinc/02/20/30/1433022030.db2.gz QDVFIVLTRKVUMY-UHFFFAOYSA-N 1 0 398.894 3.049 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000193595578 1433026019 /nfs/dbraw/zinc/02/60/19/1433026019.db2.gz GTIWFHNHRWTZCZ-LJQANCHMSA-N 1 0 382.464 3.390 20 30 GGEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000193656182 1433035206 /nfs/dbraw/zinc/03/52/06/1433035206.db2.gz RTUNIABPVRZTTI-UHFFFAOYSA-N 1 0 379.426 3.231 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000193671062 1433037694 /nfs/dbraw/zinc/03/76/94/1433037694.db2.gz HTXMGXSLBFIDQK-KRWDZBQOSA-N 1 0 388.414 3.120 20 30 GGEDRO CC[N@H+](CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000193757473 1433053827 /nfs/dbraw/zinc/05/38/27/1433053827.db2.gz UZYPPXGKLGEJQG-GOSISDBHSA-N 1 0 398.551 3.047 20 30 GGEDRO C=CCc1ccc(OCC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000193808784 1433064312 /nfs/dbraw/zinc/06/43/12/1433064312.db2.gz GTDUSJYWIFGNBZ-NRFANRHFSA-N 1 0 394.515 3.441 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193880659 1433077544 /nfs/dbraw/zinc/07/75/44/1433077544.db2.gz CHJHVMDUSANFRX-IBGZPJMESA-N 1 0 393.491 3.408 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)COc1ccccc1C#N)c1ccccc1O2 ZINC000193951913 1433091301 /nfs/dbraw/zinc/09/13/01/1433091301.db2.gz LLQVGGVFSFTGMW-LJQANCHMSA-N 1 0 391.471 3.041 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)COc1ccccc1C#N)c1ccccc1O2 ZINC000193951895 1433091355 /nfs/dbraw/zinc/09/13/55/1433091355.db2.gz LLQVGGVFSFTGMW-IBGZPJMESA-N 1 0 391.471 3.041 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1O2 ZINC000194034885 1433104853 /nfs/dbraw/zinc/10/48/53/1433104853.db2.gz PHTHRVQZTLPUIT-FQEVSTJZSA-N 1 0 375.472 3.471 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)c1ccccc1OCC#N)[NH+]1CCCC1 ZINC000194053166 1433108285 /nfs/dbraw/zinc/10/82/85/1433108285.db2.gz UMJADMLXIJANGX-LJQANCHMSA-N 1 0 379.460 3.164 20 30 GGEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)o1 ZINC000194249321 1433149049 /nfs/dbraw/zinc/14/90/49/1433149049.db2.gz RREZCPZKGLJKGX-UHFFFAOYSA-N 1 0 379.460 3.334 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000194509266 1433190046 /nfs/dbraw/zinc/19/00/46/1433190046.db2.gz WFEKMHLYUGBDCI-HSZRJFAPSA-N 1 0 380.532 3.015 20 30 GGEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000194557836 1433197098 /nfs/dbraw/zinc/19/70/98/1433197098.db2.gz TVRFXEKAPUVDDS-INIZCTEOSA-N 1 0 395.463 3.301 20 30 GGEDRO C=CCSCCNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000194565703 1433198385 /nfs/dbraw/zinc/19/83/85/1433198385.db2.gz QOTBTPVQTADZTO-CALCHBBNSA-N 1 0 377.554 3.014 20 30 GGEDRO C=CCSCCNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000194565724 1433198466 /nfs/dbraw/zinc/19/84/66/1433198466.db2.gz QOTBTPVQTADZTO-IAGOWNOFSA-N 1 0 377.554 3.014 20 30 GGEDRO C[NH+](C)Cc1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000194725924 1433220644 /nfs/dbraw/zinc/22/06/44/1433220644.db2.gz VIYGCXUGOLTIKR-UHFFFAOYSA-N 1 0 381.455 3.113 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000194856635 1433249476 /nfs/dbraw/zinc/24/94/76/1433249476.db2.gz KFYZGKAHXWEKGC-ROUUACIJSA-N 1 0 377.488 3.026 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1OCCCC#N ZINC000194933478 1433267495 /nfs/dbraw/zinc/26/74/95/1433267495.db2.gz WKQIZZFLPOBLEK-QGZVFWFLSA-N 1 0 399.495 3.206 20 30 GGEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)ccc1OC ZINC000194936218 1433268104 /nfs/dbraw/zinc/26/81/04/1433268104.db2.gz UQWYADAHBUOXML-KRWDZBQOSA-N 1 0 386.496 3.479 20 30 GGEDRO COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000194970315 1433274548 /nfs/dbraw/zinc/27/45/48/1433274548.db2.gz UJBXWXRPUTXIDK-RTWAWAEBSA-N 1 0 375.472 3.335 20 30 GGEDRO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000194970276 1433274556 /nfs/dbraw/zinc/27/45/56/1433274556.db2.gz UJBXWXRPUTXIDK-LEWJYISDSA-N 1 0 375.472 3.335 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)CC1 ZINC000195105303 1433292985 /nfs/dbraw/zinc/29/29/85/1433292985.db2.gz ZFBJRUREOGDSIG-UHFFFAOYSA-N 1 0 384.461 3.310 20 30 GGEDRO CN1CCC([NH+]2CCC(NC(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000195343354 1433321191 /nfs/dbraw/zinc/32/11/91/1433321191.db2.gz XJRXNPLHXQNZSQ-UHFFFAOYSA-N 1 0 383.540 3.168 20 30 GGEDRO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000195604853 1433341280 /nfs/dbraw/zinc/34/12/80/1433341280.db2.gz MSAGXZHRPOXGEN-CVEARBPZSA-N 1 0 381.442 3.477 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000195600774 1433341307 /nfs/dbraw/zinc/34/13/07/1433341307.db2.gz XPPQHLLFBPMWFD-JKSUJKDBSA-N 1 0 392.931 3.199 20 30 GGEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000195662762 1433343751 /nfs/dbraw/zinc/34/37/51/1433343751.db2.gz GRAOGTPWROPBAN-UHFFFAOYSA-N 1 0 395.482 3.157 20 30 GGEDRO C=CCOc1ccc(/C=C\C(=O)N2CCN(c3ccccn3)CC2)cc1OC ZINC000212430148 1433358319 /nfs/dbraw/zinc/35/83/19/1433358319.db2.gz DQQMOSHVPYSXES-NTMALXAHSA-N 1 0 379.460 3.017 20 30 GGEDRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000214042428 1433360775 /nfs/dbraw/zinc/36/07/75/1433360775.db2.gz IWCQCYQXANSNDS-SFTDATJTSA-N 1 0 395.503 3.145 20 30 GGEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000216166942 1433363116 /nfs/dbraw/zinc/36/31/16/1433363116.db2.gz ATPQRLUWZCBNBE-QGZVFWFLSA-N 1 0 393.553 3.086 20 30 GGEDRO N#Cc1cc2c(nc1NCCN1CC[NH+](Cc3ccccc3)CC1)CCCC2 ZINC000217634241 1433364685 /nfs/dbraw/zinc/36/46/85/1433364685.db2.gz NYZBLXDGHIUEHM-UHFFFAOYSA-N 1 0 375.520 3.062 20 30 GGEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000225414031 1433366990 /nfs/dbraw/zinc/36/69/90/1433366990.db2.gz XWBUZXZSOAHAAL-HNNXBMFYSA-N 1 0 396.466 3.036 20 30 GGEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N(C)C)cc1OC ZINC000237210678 1433392938 /nfs/dbraw/zinc/39/29/38/1433392938.db2.gz PYOUYOFSPOGPNV-OXQOHEQNSA-N 1 0 383.492 3.387 20 30 GGEDRO C=CCOc1ccccc1CN(C(=O)[C@@H](C)C[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000237287712 1433396108 /nfs/dbraw/zinc/39/61/08/1433396108.db2.gz UBYGTNWDYBFPNN-KRWDZBQOSA-N 1 0 396.487 3.411 20 30 GGEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000237306353 1433396574 /nfs/dbraw/zinc/39/65/74/1433396574.db2.gz FQEDLLHUKMBIMD-HXUWFJFHSA-N 1 0 380.488 3.080 20 30 GGEDRO C=CCc1cc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc(OC)c1OC ZINC000237309622 1433396687 /nfs/dbraw/zinc/39/66/87/1433396687.db2.gz LTOGEGIBRKZJJU-UHFFFAOYSA-N 1 0 394.515 3.370 20 30 GGEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC000237332933 1433397772 /nfs/dbraw/zinc/39/77/72/1433397772.db2.gz SKBWWPVUEZFOLJ-GOSISDBHSA-N 1 0 390.277 3.293 20 30 GGEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N2CCOCC2)cc1 ZINC000237337062 1433397881 /nfs/dbraw/zinc/39/78/81/1433397881.db2.gz VOJOENNDNOTVDI-JPYJTQIMSA-N 1 0 395.503 3.149 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000237489580 1433405881 /nfs/dbraw/zinc/40/58/81/1433405881.db2.gz VNBDBIPDBUUOON-HTAPYJJXSA-N 1 0 383.467 3.280 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)N2CCN(c3ccccc3)CC2)cc1 ZINC000237546809 1433408803 /nfs/dbraw/zinc/40/88/03/1433408803.db2.gz GYAIHTFLXAZRMU-WOJBJXKFSA-N 1 0 378.520 3.278 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000237600324 1433411897 /nfs/dbraw/zinc/41/18/97/1433411897.db2.gz LNIYEQQTHLZKOT-VGOFRKELSA-N 1 0 393.487 3.176 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H]([NH+]4CCCC4)C3)sc2C1 ZINC000245399020 1433460405 /nfs/dbraw/zinc/46/04/05/1433460405.db2.gz VJHZKKGQAUCDAM-JKSUJKDBSA-N 1 0 386.565 3.243 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000245460550 1433472318 /nfs/dbraw/zinc/47/23/18/1433472318.db2.gz VWLZVPWFZMXISU-WOJBJXKFSA-N 1 0 382.552 3.314 20 30 GGEDRO CCc1nccn1[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514420 1433480151 /nfs/dbraw/zinc/48/01/51/1433480151.db2.gz BVDRCODPBPMAFL-PMACEKPBSA-N 1 0 377.492 3.150 20 30 GGEDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245536735 1433482298 /nfs/dbraw/zinc/48/22/98/1433482298.db2.gz XUVPUDUSESFJDL-ICSRJNTNSA-N 1 0 383.492 3.109 20 30 GGEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000245563778 1433485671 /nfs/dbraw/zinc/48/56/71/1433485671.db2.gz QBNQQCPCNQPJMS-BEEJXANESA-N 1 0 399.539 3.063 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245603535 1433489637 /nfs/dbraw/zinc/48/96/37/1433489637.db2.gz MXPKYARSJJZKDT-FUHIMQAGSA-N 1 0 383.471 3.240 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245603542 1433489646 /nfs/dbraw/zinc/48/96/46/1433489646.db2.gz MXPKYARSJJZKDT-MBOZVWFJSA-N 1 0 383.471 3.240 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000245689709 1433500177 /nfs/dbraw/zinc/50/01/77/1433500177.db2.gz QCTAKSBTELBYMQ-CMKODMSKSA-N 1 0 395.507 3.110 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245851780 1433527199 /nfs/dbraw/zinc/52/71/99/1433527199.db2.gz JKHHZMKMPMKPAH-ROUUACIJSA-N 1 0 397.498 3.149 20 30 GGEDRO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245863673 1433529878 /nfs/dbraw/zinc/52/98/78/1433529878.db2.gz PLPNAYQTGMDAOT-YLJYHZDGSA-N 1 0 394.544 3.076 20 30 GGEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000245872114 1433530926 /nfs/dbraw/zinc/53/09/26/1433530926.db2.gz ABELXAZJJWMARN-FUHWJXTLSA-N 1 0 379.426 3.183 20 30 GGEDRO C[C@@H]1CN([C@H](CNC(=[NH2+])Nc2ccccn2)c2c(F)cccc2Cl)CCO1 ZINC000245895957 1433536467 /nfs/dbraw/zinc/53/64/67/1433536467.db2.gz IJTZSKLNUBNJDQ-CZUORRHYSA-N 1 0 391.878 3.063 20 30 GGEDRO C[C@H](C#N)Oc1ccc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000245903697 1433538415 /nfs/dbraw/zinc/53/84/15/1433538415.db2.gz AKABTXBLZHKHRR-YLJYHZDGSA-N 1 0 392.503 3.287 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245914603 1433541120 /nfs/dbraw/zinc/54/11/20/1433541120.db2.gz FHETXWIBXMZLSS-SESVDKBCSA-N 1 0 386.540 3.468 20 30 GGEDRO O=C1CC[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]2N1C1CC1 ZINC000245928566 1433544936 /nfs/dbraw/zinc/54/49/36/1433544936.db2.gz YARAJPOACPPMPE-QFBILLFUSA-N 1 0 392.421 3.412 20 30 GGEDRO CC(C)[C@@H](CC[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000245985888 1433553342 /nfs/dbraw/zinc/55/33/42/1433553342.db2.gz HPASJDSRBPVADK-RTBURBONSA-N 1 0 375.513 3.463 20 30 GGEDRO CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc(C#N)cc1 ZINC000246052177 1433561729 /nfs/dbraw/zinc/56/17/29/1433561729.db2.gz ALPRSYXDCGHGOI-HNTVYWHESA-N 1 0 389.499 3.359 20 30 GGEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246110556 1433570353 /nfs/dbraw/zinc/57/03/53/1433570353.db2.gz CAULYIHFVVJNDI-GUDVDZBRSA-N 1 0 398.551 3.097 20 30 GGEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246110547 1433570429 /nfs/dbraw/zinc/57/04/29/1433570429.db2.gz CAULYIHFVVJNDI-CEXWTWQISA-N 1 0 398.551 3.097 20 30 GGEDRO CC(C)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000246137704 1433573568 /nfs/dbraw/zinc/57/35/68/1433573568.db2.gz KEESOTHCZOUUBB-IFMALSPDSA-N 1 0 386.467 3.129 20 30 GGEDRO C[C@@](C#N)(NC(=O)CN1CCC[C@@H](COc2ccccc2Cl)C1)C1CC1 ZINC000246198629 1433581176 /nfs/dbraw/zinc/58/11/76/1433581176.db2.gz UISJRIDTWRLMIB-QRWLVFNGSA-N 1 0 375.900 3.239 20 30 GGEDRO C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1=S ZINC000246201105 1433581323 /nfs/dbraw/zinc/58/13/23/1433581323.db2.gz ATGCLFCEAJIVSK-ZWKOTPCHSA-N 1 0 384.553 3.036 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1C#N ZINC000246251040 1433586454 /nfs/dbraw/zinc/58/64/54/1433586454.db2.gz GSVWOPZLRYFSIE-OXJNMPFZSA-N 1 0 398.482 3.136 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246272101 1433588391 /nfs/dbraw/zinc/58/83/91/1433588391.db2.gz VAFFRVPHDAWCAK-QFBILLFUSA-N 1 0 389.546 3.290 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246279067 1433589012 /nfs/dbraw/zinc/58/90/12/1433589012.db2.gz VNNNNRXNJRFINI-VQIMIIECSA-N 1 0 389.546 3.290 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246286200 1433589615 /nfs/dbraw/zinc/58/96/15/1433589615.db2.gz ARTWYGMSEKQNSG-ZHALLVOQSA-N 1 0 386.565 3.311 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246286192 1433589862 /nfs/dbraw/zinc/58/98/62/1433589862.db2.gz ARTWYGMSEKQNSG-LMMKCTJWSA-N 1 0 386.565 3.311 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000246375815 1433602938 /nfs/dbraw/zinc/60/29/38/1433602938.db2.gz MWRCERNUNLRFDK-SJORKVTESA-N 1 0 397.523 3.197 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246375121 1433602997 /nfs/dbraw/zinc/60/29/97/1433602997.db2.gz AOJZSDWIVUEBNE-FXAWDEMLSA-N 1 0 383.517 3.198 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246375135 1433603010 /nfs/dbraw/zinc/60/30/10/1433603010.db2.gz AOJZSDWIVUEBNE-PXNSSMCTSA-N 1 0 383.517 3.198 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000246378288 1433603455 /nfs/dbraw/zinc/60/34/55/1433603455.db2.gz MOJGWELZTHTKAP-HZPDHXFCSA-N 1 0 395.956 3.487 20 30 GGEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246409734 1433608658 /nfs/dbraw/zinc/60/86/58/1433608658.db2.gz QELLNJGUICPNHU-CVEARBPZSA-N 1 0 388.537 3.010 20 30 GGEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246414815 1433609206 /nfs/dbraw/zinc/60/92/06/1433609206.db2.gz RRRZNCHEMUBPJX-GUDVDZBRSA-N 1 0 398.551 3.097 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246429709 1433611695 /nfs/dbraw/zinc/61/16/95/1433611695.db2.gz CNKLEJUEPIWHDH-LSTHTHJFSA-N 1 0 387.499 3.445 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246443497 1433613524 /nfs/dbraw/zinc/61/35/24/1433613524.db2.gz DTJNGLLTSMBNMK-QKLQHJQFSA-N 1 0 377.554 3.471 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246443480 1433613547 /nfs/dbraw/zinc/61/35/47/1433613547.db2.gz DTJNGLLTSMBNMK-HLIPFELVSA-N 1 0 377.554 3.471 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)C(=O)NC3(C#N)CCCCC3)ccc2NC1=O ZINC000246450209 1433614365 /nfs/dbraw/zinc/61/43/65/1433614365.db2.gz UNSCNWXVKDCXFU-RKVPGOIHSA-N 1 0 398.507 3.178 20 30 GGEDRO C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000246449488 1433614590 /nfs/dbraw/zinc/61/45/90/1433614590.db2.gz OKYGSGQDQQLMTD-ZWKOTPCHSA-N 1 0 384.524 3.231 20 30 GGEDRO CC1CC[NH+](C[C@@H]2CCCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000246495711 1433621087 /nfs/dbraw/zinc/62/10/87/1433621087.db2.gz PPAIDKGDNMEGAC-HKUYNNGSSA-N 1 0 386.565 3.169 20 30 GGEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246524713 1433625253 /nfs/dbraw/zinc/62/52/53/1433625253.db2.gz RNDDJLCIVSMTCX-IFMALSPDSA-N 1 0 377.488 3.226 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246543648 1433628402 /nfs/dbraw/zinc/62/84/02/1433628402.db2.gz QLDHVOJIASTUAE-PXNSSMCTSA-N 1 0 383.517 3.198 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3cccc(C#N)c3)ccc2NC1=O ZINC000246557155 1433630763 /nfs/dbraw/zinc/63/07/63/1433630763.db2.gz YVXKDRIWMSRQSI-LPMFXHHGSA-N 1 0 392.459 3.346 20 30 GGEDRO C[C@@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000246625584 1433641384 /nfs/dbraw/zinc/64/13/84/1433641384.db2.gz ZCKDZPACSWTKBA-XLIONFOSSA-N 1 0 394.544 3.321 20 30 GGEDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246660883 1433646731 /nfs/dbraw/zinc/64/67/31/1433646731.db2.gz AJXDNRMCFHWCLE-HFXUHXBXSA-N 1 0 388.471 3.161 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](C)O)c1C#N ZINC000246687130 1433649951 /nfs/dbraw/zinc/64/99/51/1433649951.db2.gz MDSYUUTUZOUNTI-KXBFYZLASA-N 1 0 380.492 3.140 20 30 GGEDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000246722789 1433655467 /nfs/dbraw/zinc/65/54/67/1433655467.db2.gz KNWMTYYGKWHYAI-HUUCEWRRSA-N 1 0 375.538 3.432 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000246736393 1433657950 /nfs/dbraw/zinc/65/79/50/1433657950.db2.gz NSROQRXBDPHVQX-FUHWJXTLSA-N 1 0 391.487 3.096 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246790907 1433667155 /nfs/dbraw/zinc/66/71/55/1433667155.db2.gz MIRLTXZTQOZXLF-XQBPLPMBSA-N 1 0 380.536 3.270 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246797057 1433668580 /nfs/dbraw/zinc/66/85/80/1433668580.db2.gz MQHNYNMWDBENHD-NZQKXSOJSA-N 1 0 394.563 3.499 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246797076 1433668631 /nfs/dbraw/zinc/66/86/31/1433668631.db2.gz MQHNYNMWDBENHD-REWPJTCUSA-N 1 0 394.563 3.499 20 30 GGEDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000246805661 1433670301 /nfs/dbraw/zinc/67/03/01/1433670301.db2.gz SYCVCHSPDRABQR-QLFBSQMISA-N 1 0 375.538 3.308 20 30 GGEDRO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)C2=O)cc1 ZINC000246814123 1433672435 /nfs/dbraw/zinc/67/24/35/1433672435.db2.gz NKDJKMXRFHEIBA-FDFHNCONSA-N 1 0 393.462 3.391 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000246862962 1433679714 /nfs/dbraw/zinc/67/97/14/1433679714.db2.gz DVNLRCJQGJRKLD-GOSISDBHSA-N 1 0 383.517 3.152 20 30 GGEDRO CCOC(=O)CC[C@@H]1CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246868306 1433680534 /nfs/dbraw/zinc/68/05/34/1433680534.db2.gz WFUPRLWSFRLIOZ-ZBFHGGJFSA-N 1 0 375.469 3.150 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000246872179 1433680970 /nfs/dbraw/zinc/68/09/70/1433680970.db2.gz DNTRVTBZBFAZCO-RBUKOAKNSA-N 1 0 398.580 3.426 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OCC)[C@@H](C)C1 ZINC000247218316 1433692679 /nfs/dbraw/zinc/69/26/79/1433692679.db2.gz MWEOGVSFJBRQOM-WMZOPIPTSA-N 1 0 388.512 3.215 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247242347 1433695518 /nfs/dbraw/zinc/69/55/18/1433695518.db2.gz TUNQWGGQSJLBJX-KZNAEPCWSA-N 1 0 377.554 3.424 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247295114 1433700974 /nfs/dbraw/zinc/70/09/74/1433700974.db2.gz UJNZOQLNIIONPO-AOIWGVFYSA-N 1 0 386.565 3.435 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247295123 1433701367 /nfs/dbraw/zinc/70/13/67/1433701367.db2.gz UJNZOQLNIIONPO-LMMKCTJWSA-N 1 0 386.565 3.435 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247295137 1433701384 /nfs/dbraw/zinc/70/13/84/1433701384.db2.gz UJNZOQLNIIONPO-ZIFCJYIRSA-N 1 0 386.565 3.435 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247359461 1433712377 /nfs/dbraw/zinc/71/23/77/1433712377.db2.gz YQTDITZQAPDTPU-ONTIZHBOSA-N 1 0 382.552 3.355 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000247359480 1433712836 /nfs/dbraw/zinc/71/28/36/1433712836.db2.gz YQTDITZQAPDTPU-VWPQPMDRSA-N 1 0 382.552 3.355 20 30 GGEDRO C=C(Br)CNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247365127 1433713156 /nfs/dbraw/zinc/71/31/56/1433713156.db2.gz KKCHIYOYYJUDNK-HALDLXJZSA-N 1 0 380.330 3.351 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247401631 1433716962 /nfs/dbraw/zinc/71/69/62/1433716962.db2.gz RKUSDEIDITVZLD-WOJBJXKFSA-N 1 0 392.503 3.077 20 30 GGEDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247580803 1433738830 /nfs/dbraw/zinc/73/88/30/1433738830.db2.gz LKLAMZIPSFMWHO-DLBZAZTESA-N 1 0 386.540 3.334 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000247664297 1433745258 /nfs/dbraw/zinc/74/52/58/1433745258.db2.gz VICLMBKQHQNMIE-UHFFFAOYSA-N 1 0 380.536 3.073 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC[C@H]21 ZINC000247993612 1433762143 /nfs/dbraw/zinc/76/21/43/1433762143.db2.gz JQPWLWWIFGENHG-PKOBYXMFSA-N 1 0 379.460 3.287 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC[C@H]21 ZINC000247993606 1433762218 /nfs/dbraw/zinc/76/22/18/1433762218.db2.gz JQPWLWWIFGENHG-IEBWSBKVSA-N 1 0 379.460 3.287 20 30 GGEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@H]1C ZINC000248333592 1433786890 /nfs/dbraw/zinc/78/68/90/1433786890.db2.gz FUOUHHZYVNDXNX-IXDOHACOSA-N 1 0 384.524 3.086 20 30 GGEDRO Cc1oc(NC(=O)CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000248394475 1433794803 /nfs/dbraw/zinc/79/48/03/1433794803.db2.gz HZYXYVIEEFKGTJ-BRLLKYFNSA-N 1 0 394.519 3.453 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000248399195 1433796538 /nfs/dbraw/zinc/79/65/38/1433796538.db2.gz OLCFUIRMOMMJHV-NPHXMPSESA-N 1 0 396.579 3.417 20 30 GGEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000248576205 1433809410 /nfs/dbraw/zinc/80/94/10/1433809410.db2.gz NMSZJYAJOCJBGH-CMKODMSKSA-N 1 0 396.560 3.239 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c(OC)c1 ZINC000248595303 1433810216 /nfs/dbraw/zinc/81/02/16/1433810216.db2.gz MGKMXRKTNGEWKX-ILZDJORESA-N 1 0 383.488 3.318 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000248781627 1433822185 /nfs/dbraw/zinc/82/21/85/1433822185.db2.gz BYMXVTOKEYUDGG-PKOBYXMFSA-N 1 0 393.491 3.406 20 30 GGEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)C1 ZINC000248975981 1433831232 /nfs/dbraw/zinc/83/12/32/1433831232.db2.gz DVWZQMXDBGCHRU-YSZBQJHXSA-N 1 0 394.563 3.292 20 30 GGEDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C12CCCCC2 ZINC000249024098 1433832352 /nfs/dbraw/zinc/83/23/52/1433832352.db2.gz LFHIOGVJDZCNDO-PCCBWWKXSA-N 1 0 381.520 3.377 20 30 GGEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000249017663 1433832452 /nfs/dbraw/zinc/83/24/52/1433832452.db2.gz KJHKDXAYPGIQOZ-YVHKJVDXSA-N 1 0 377.488 3.450 20 30 GGEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000249053201 1433833236 /nfs/dbraw/zinc/83/32/36/1433833236.db2.gz OLCDFXPNXXSPKA-LEOXJPRUSA-N 1 0 388.515 3.084 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000249059638 1433833537 /nfs/dbraw/zinc/83/35/37/1433833537.db2.gz GFDFJRIQSSENKM-KDOFPFPSSA-N 1 0 381.467 3.069 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2[C@H](C)C[C@@H](O)C[C@@H]2C)c1C#N ZINC000249111879 1433835687 /nfs/dbraw/zinc/83/56/87/1433835687.db2.gz XZWVIBFUFSSBOS-HBCWATKFSA-N 1 0 398.482 3.277 20 30 GGEDRO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000249114394 1433835935 /nfs/dbraw/zinc/83/59/35/1433835935.db2.gz QFEHLWHHPRREAL-ZCNNSNEGSA-N 1 0 382.552 3.244 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249369393 1433841953 /nfs/dbraw/zinc/84/19/53/1433841953.db2.gz NCYWCHGUTLZDNM-JKSUJKDBSA-N 1 0 390.553 3.390 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249417949 1433843368 /nfs/dbraw/zinc/84/33/68/1433843368.db2.gz WPIFLWIIDMZRFO-HZPDHXFCSA-N 1 0 390.553 3.390 20 30 GGEDRO C=CC[C@@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000249517468 1433845976 /nfs/dbraw/zinc/84/59/76/1433845976.db2.gz SDWUNMUUYMKNAH-VWNXMTODSA-N 1 0 378.516 3.442 20 30 GGEDRO CN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249727697 1433850115 /nfs/dbraw/zinc/85/01/15/1433850115.db2.gz RAMCNVQTTMPSPT-IEBWSBKVSA-N 1 0 390.270 3.394 20 30 GGEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000249735521 1433850369 /nfs/dbraw/zinc/85/03/69/1433850369.db2.gz VUUYTYUKJQOGLA-SJLPKXTDSA-N 1 0 392.507 3.083 20 30 GGEDRO CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000249739904 1433850517 /nfs/dbraw/zinc/85/05/17/1433850517.db2.gz DUJNYGPHZAUHMT-GMAHTHKFSA-N 1 0 384.568 3.417 20 30 GGEDRO Cc1ccccc1C[N@H+]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000251174451 1433857819 /nfs/dbraw/zinc/85/78/19/1433857819.db2.gz RNCBULQZFMNXQB-LJQANCHMSA-N 1 0 376.504 3.402 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000251682769 1433859700 /nfs/dbraw/zinc/85/97/00/1433859700.db2.gz NSELEZCBKVULTO-QRWLVFNGSA-N 1 0 393.478 3.477 20 30 GGEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H](C)[C@H]1OC ZINC000253335863 1433865592 /nfs/dbraw/zinc/86/55/92/1433865592.db2.gz ATWYATSQDWVEGD-CDHQVMDDSA-N 1 0 395.507 3.112 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C/C=C\c3ccccc3)CC2)CC1 ZINC000254952434 1433872934 /nfs/dbraw/zinc/87/29/34/1433872934.db2.gz PHHOBJHHCKSSAK-TWGQIWQCSA-N 1 0 382.552 3.068 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000254961958 1433873002 /nfs/dbraw/zinc/87/30/02/1433873002.db2.gz NYNLZTKJDNWPCK-FHLSJSRISA-N 1 0 378.419 3.375 20 30 GGEDRO C[C@H](NC(=O)[C@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000255061291 1433875248 /nfs/dbraw/zinc/87/52/48/1433875248.db2.gz QCFMSHUVHOXKDF-IRXDYDNUSA-N 1 0 399.466 3.279 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1 ZINC000255107857 1433876433 /nfs/dbraw/zinc/87/64/33/1433876433.db2.gz CXDCRTUGTVJQTJ-KAMYIIQDSA-N 1 0 390.487 3.282 20 30 GGEDRO C[C@@H](NC(=O)/C=C\c1ccccc1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000255168172 1433877857 /nfs/dbraw/zinc/87/78/57/1433877857.db2.gz WTCUUITUMPRJKK-CGQZWFTASA-N 1 0 392.478 3.340 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C=NOC)cc1 ZINC000255302328 1433879747 /nfs/dbraw/zinc/87/97/47/1433879747.db2.gz WXIVCVDRARWVRL-OAQYLSRUSA-N 1 0 395.503 3.499 20 30 GGEDRO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000255337525 1433880759 /nfs/dbraw/zinc/88/07/59/1433880759.db2.gz ZUFFYSHVNIQILI-CTNGQTDRSA-N 1 0 385.508 3.055 20 30 GGEDRO Clc1ccc(-n2cc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)nn2)cc1 ZINC000255379571 1433881717 /nfs/dbraw/zinc/88/17/17/1433881717.db2.gz SFRWNHCSXLAVPN-UHFFFAOYSA-N 1 0 397.866 3.308 20 30 GGEDRO C[C@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000255381531 1433881951 /nfs/dbraw/zinc/88/19/51/1433881951.db2.gz HDXQTVBBMPMPPE-ROUUACIJSA-N 1 0 393.487 3.240 20 30 GGEDRO Cc1ccc(NC(=O)[C@@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000255520133 1433884246 /nfs/dbraw/zinc/88/42/46/1433884246.db2.gz QUDJGSKZBGZKTH-MRXNPFEDSA-N 1 0 385.439 3.348 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)/C=C\c2ccccc2C#N)c1 ZINC000255686832 1433887870 /nfs/dbraw/zinc/88/78/70/1433887870.db2.gz OGTQIIGFJJSZFX-SEYXRHQNSA-N 1 0 390.487 3.282 20 30 GGEDRO Oc1ccc(/C=N\CCCOC2CC[NH+](Cc3ccccc3)CC2)c(O)c1O ZINC000255680143 1433887954 /nfs/dbraw/zinc/88/79/54/1433887954.db2.gz BNBIBLRFKANDLN-HAHDFKILSA-N 1 0 384.476 3.294 20 30 GGEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccccc1OCc1ccccc1 ZINC000255842745 1433890015 /nfs/dbraw/zinc/89/00/15/1433890015.db2.gz JVCYVRQVHOEUOX-DUPNKOKHSA-N 1 0 391.471 3.443 20 30 GGEDRO CC(C)N(C(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000255872017 1433890732 /nfs/dbraw/zinc/89/07/32/1433890732.db2.gz QVFUHRPZJHAXCM-UHFFFAOYSA-N 1 0 381.476 3.315 20 30 GGEDRO CCc1ccccc1NC(=O)[C@@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255907881 1433891543 /nfs/dbraw/zinc/89/15/43/1433891543.db2.gz XCMAGPZLBCAOBJ-QGZVFWFLSA-N 1 0 381.476 3.463 20 30 GGEDRO CCN(C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000255953636 1433892436 /nfs/dbraw/zinc/89/24/36/1433892436.db2.gz IUQSYUMCWPJMCT-QUCCMNQESA-N 1 0 393.487 3.484 20 30 GGEDRO C[NH+]=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)N(C)C[C@@H]1CCOC1 ZINC000261640276 1433897883 /nfs/dbraw/zinc/89/78/83/1433897883.db2.gz KWNKRUYRWGOVST-KRWDZBQOSA-N 1 0 387.524 3.161 20 30 GGEDRO C[NH+]=C(NCC1(c2ccc(Br)cc2)CCC1)N(C)C[C@H]1CCOC1 ZINC000261633680 1433897950 /nfs/dbraw/zinc/89/79/50/1433897950.db2.gz JZCLEQVZJONDHA-OAHLLOKOSA-N 1 0 394.357 3.415 20 30 GGEDRO C[NH+]=C(NCc1cccc2cccnc21)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261645002 1433898078 /nfs/dbraw/zinc/89/80/78/1433898078.db2.gz DOBWFDIDSAOKAK-OAQYLSRUSA-N 1 0 396.535 3.360 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@@H](Cc3ccc(F)cc3)C2)n1C ZINC000261657743 1433898292 /nfs/dbraw/zinc/89/82/92/1433898292.db2.gz AISWYDCBIUVIPL-SFHVURJKSA-N 1 0 398.530 3.215 20 30 GGEDRO C=CC[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261659999 1433898337 /nfs/dbraw/zinc/89/83/37/1433898337.db2.gz AQHOROQEWHUSGJ-GOSISDBHSA-N 1 0 394.523 3.181 20 30 GGEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCC(OCC2CC2)CC1 ZINC000261656206 1433898356 /nfs/dbraw/zinc/89/83/56/1433898356.db2.gz BHSDCFCRQSUMHB-ZCNNSNEGSA-N 1 0 375.557 3.191 20 30 GGEDRO C[NH+]=C(N[C@H](C)c1cccc(-n2cccn2)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261664593 1433898447 /nfs/dbraw/zinc/89/84/47/1433898447.db2.gz OIPKYQWJPRJEOZ-NMLACTOBSA-N 1 0 379.508 3.056 20 30 GGEDRO C[NH+]=C(NCc1csc(CCc2ccccc2)n1)N1CC[C@]2(CCOC2)C1 ZINC000261663646 1433898494 /nfs/dbraw/zinc/89/84/94/1433898494.db2.gz BDPQWSRJHCWSGV-NRFANRHFSA-N 1 0 384.549 3.116 20 30 GGEDRO C[NH+]=C(NCc1ccc(Br)cc1C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000261689512 1433899143 /nfs/dbraw/zinc/89/91/43/1433899143.db2.gz IGFJRAAKUHVXIP-ARFHVFGLSA-N 1 0 380.330 3.236 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CCN(c2cccs2)CC1 ZINC000261696910 1433899401 /nfs/dbraw/zinc/89/94/01/1433899401.db2.gz FSPXZACKEBMPHP-UHFFFAOYSA-N 1 0 381.505 3.301 20 30 GGEDRO C[NH+]=C(NCc1ccc2c(c1)COC2)N(C)Cc1cc(Br)cn1C ZINC000261705524 1433899496 /nfs/dbraw/zinc/89/94/96/1433899496.db2.gz GSJZZKYVCSMJQM-UHFFFAOYSA-N 1 0 391.313 3.025 20 30 GGEDRO C[NH+]=C(NCC(C)(C)c1ccc(Br)cc1)N(C)Cc1ccon1 ZINC000261702048 1433899526 /nfs/dbraw/zinc/89/95/26/1433899526.db2.gz GHEWDYODZXAKNL-UHFFFAOYSA-N 1 0 379.302 3.422 20 30 GGEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2oc3ccccc3c2C)=[NH+]C)C1 ZINC000261728802 1433900128 /nfs/dbraw/zinc/90/01/28/1433900128.db2.gz LKHLFNJXGLHQQV-DBFUXIHBSA-N 1 0 375.538 3.486 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCSC2(CCCCC2)C1 ZINC000261730043 1433900410 /nfs/dbraw/zinc/90/04/10/1433900410.db2.gz JJXBPMRNOTYDKF-HNNXBMFYSA-N 1 0 392.535 3.198 20 30 GGEDRO C[NH+]=C(NC[C@H](O)c1cc2ccccc2s1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261741574 1433900697 /nfs/dbraw/zinc/90/06/97/1433900697.db2.gz KRDSXCKRZIMRLC-ILRDRHFLSA-N 1 0 385.533 3.057 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261757100 1433902064 /nfs/dbraw/zinc/90/20/64/1433902064.db2.gz METDCYSVIWQQOD-QHCPKHFHSA-N 1 0 392.551 3.060 20 30 GGEDRO CC[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N1CCSC(C)(C)C1 ZINC000261835813 1433906194 /nfs/dbraw/zinc/90/61/94/1433906194.db2.gz JKLSUKGEZYMGAC-UHFFFAOYSA-N 1 0 386.569 3.177 20 30 GGEDRO C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=[NH2+])NC3CCCCCC3)c2)C1=O ZINC000261887324 1433909490 /nfs/dbraw/zinc/90/94/90/1433909490.db2.gz SHPKSXUQBZSYJH-JOCHJYFZSA-N 1 0 397.523 3.039 20 30 GGEDRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=[NH2+])NC3CCCCCC3)cc2)C1=O ZINC000261906074 1433911771 /nfs/dbraw/zinc/91/17/71/1433911771.db2.gz XAKMGOKXKPKLBL-QFIPXVFZSA-N 1 0 397.523 3.039 20 30 GGEDRO C[NH+]=C(NCc1cccnc1Oc1cccc(F)c1)N1CC[C@]2(CCOC2)C1 ZINC000261937905 1433914140 /nfs/dbraw/zinc/91/41/40/1433914140.db2.gz CYAMQUBUPBFRSO-NRFANRHFSA-N 1 0 384.455 3.201 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2Cl)CCOCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261937762 1433914416 /nfs/dbraw/zinc/91/44/16/1433914416.db2.gz CWAYXNWFGOYMBA-HXUWFJFHSA-N 1 0 391.943 3.076 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000261940464 1433914624 /nfs/dbraw/zinc/91/46/24/1433914624.db2.gz DLWFVQSKYHVIEI-APWZRJJASA-N 1 0 378.480 3.197 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000261940467 1433914821 /nfs/dbraw/zinc/91/48/21/1433914821.db2.gz DLWFVQSKYHVIEI-VQIMIIECSA-N 1 0 378.480 3.197 20 30 GGEDRO CC[NH+]=C(NCc1cc(C)cc2c(C)c(C)[nH]c21)N[C@H]1CCN(C(=O)CC)C1 ZINC000261943819 1433914828 /nfs/dbraw/zinc/91/48/28/1433914828.db2.gz FGTTUFZJRIENKP-SFHVURJKSA-N 1 0 383.540 3.159 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261940466 1433914969 /nfs/dbraw/zinc/91/49/69/1433914969.db2.gz DLWFVQSKYHVIEI-QFBILLFUSA-N 1 0 378.480 3.197 20 30 GGEDRO C[NH+]=C(NC[C@H]1CCCS1)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000261946043 1433915311 /nfs/dbraw/zinc/91/53/11/1433915311.db2.gz FYFLYYALTLXFIW-QGZVFWFLSA-N 1 0 381.973 3.449 20 30 GGEDRO CC[NH+]=C(NCc1nnc2n1CCCCC2)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261952084 1433916012 /nfs/dbraw/zinc/91/60/12/1433916012.db2.gz HRNFZQLXBLTZPH-KRWDZBQOSA-N 1 0 396.539 3.362 20 30 GGEDRO CC[NH+]=C(NCc1c(C)nn(-c2ccccc2)c1C)N1CC[C@@]2(CCOC2)C1 ZINC000261956235 1433916079 /nfs/dbraw/zinc/91/60/79/1433916079.db2.gz IVJMSJIZGVGPRE-JOCHJYFZSA-N 1 0 381.524 3.067 20 30 GGEDRO CC[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261957622 1433916366 /nfs/dbraw/zinc/91/63/66/1433916366.db2.gz JEULMZWUIDLXGJ-QGZVFWFLSA-N 1 0 394.523 3.116 20 30 GGEDRO CC[NH+]=C(NCCc1coc(-c2ccc(C)cc2)n1)N1CC[C@]2(CCOC2)C1 ZINC000261958127 1433916436 /nfs/dbraw/zinc/91/64/36/1433916436.db2.gz JIIZTQTVIRQTKP-QFIPXVFZSA-N 1 0 382.508 3.270 20 30 GGEDRO CC[NH+]=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@]2(CCOC2)C1 ZINC000261961257 1433916839 /nfs/dbraw/zinc/91/68/39/1433916839.db2.gz KGIDRBPMFCQLTA-IBGZPJMESA-N 1 0 379.426 3.135 20 30 GGEDRO C[NH+]=C(NCc1ccc2c(c1)COC2)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261965359 1433916908 /nfs/dbraw/zinc/91/69/08/1433916908.db2.gz LJNMJUZWVPTHIX-UHFFFAOYSA-N 1 0 375.476 3.314 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000261967125 1433917754 /nfs/dbraw/zinc/91/77/54/1433917754.db2.gz LSPXLHAWLYVFSL-VXGBXAGGSA-N 1 0 386.447 3.017 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCCC2)N2CC[C@@H](c3ccccc3)C2)n1C ZINC000261977401 1433918525 /nfs/dbraw/zinc/91/85/25/1433918525.db2.gz NZUPHYAQHWLCDP-LJQANCHMSA-N 1 0 380.540 3.391 20 30 GGEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261975974 1433918553 /nfs/dbraw/zinc/91/85/53/1433918553.db2.gz NQRJDTFBZCZKEO-FUHWJXTLSA-N 1 0 396.539 3.006 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CCN(c2cccs2)CC1 ZINC000261984807 1433919306 /nfs/dbraw/zinc/91/93/06/1433919306.db2.gz PTIVDKBPFHUZOV-UHFFFAOYSA-N 1 0 389.472 3.121 20 30 GGEDRO CC(C)(C)OC(=O)C1CCC(NC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000261989835 1433919517 /nfs/dbraw/zinc/91/95/17/1433919517.db2.gz DTOWIUFXCPBYNG-UHFFFAOYSA-N 1 0 389.496 3.475 20 30 GGEDRO [NH2+]=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000261987794 1433919523 /nfs/dbraw/zinc/91/95/23/1433919523.db2.gz KQGCVPCAPRNLEG-NRFANRHFSA-N 1 0 382.483 3.115 20 30 GGEDRO Cc1nnc(CNC(N[C@@H]2CCc3ccccc3C2)=[NH+]C2CCCCC2)n1C ZINC000261991816 1433919993 /nfs/dbraw/zinc/91/99/93/1433919993.db2.gz RLWJITJTFAPFAX-HXUWFJFHSA-N 1 0 380.540 3.049 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CC2)N(C)Cc2ccc(Cl)c(Cl)c2)n1C ZINC000261992669 1433920069 /nfs/dbraw/zinc/92/00/69/1433920069.db2.gz RSFDDVRGSTUWFR-UHFFFAOYSA-N 1 0 381.311 3.170 20 30 GGEDRO Cc1nnc(CNC(N[C@H]2CCc3ccccc3C2)=[NH+]C2CCCCC2)n1C ZINC000261991814 1433920191 /nfs/dbraw/zinc/92/01/91/1433920191.db2.gz RLWJITJTFAPFAX-FQEVSTJZSA-N 1 0 380.540 3.049 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261998656 1433920363 /nfs/dbraw/zinc/92/03/63/1433920363.db2.gz SZIXSTWVGUETAR-PWIZWCRZSA-N 1 0 379.508 3.042 20 30 GGEDRO C[NH+]=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261998986 1433920511 /nfs/dbraw/zinc/92/05/11/1433920511.db2.gz TXFYOFHWCSXKBE-CTNGQTDRSA-N 1 0 390.959 3.165 20 30 GGEDRO C[NH+]=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261998989 1433920746 /nfs/dbraw/zinc/92/07/46/1433920746.db2.gz TXFYOFHWCSXKBE-TZIWHRDSSA-N 1 0 390.959 3.165 20 30 GGEDRO C[NH+]=C(NCc1ccc(OC)c(OC2CCCC2)c1)N1CC[C@@]2(CCOC2)C1 ZINC000262000894 1433921092 /nfs/dbraw/zinc/92/10/92/1433921092.db2.gz ULNZWJDHYDKLHW-JOCHJYFZSA-N 1 0 387.524 3.204 20 30 GGEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000262005226 1433921340 /nfs/dbraw/zinc/92/13/40/1433921340.db2.gz VLHYNOOENVSHEB-HNNXBMFYSA-N 1 0 382.537 3.422 20 30 GGEDRO Cc1nnc(C[NH+]=C(NCc2cccs2)N2CC[C@H](c3ccccc3)C2)n1C ZINC000262012310 1433922346 /nfs/dbraw/zinc/92/23/46/1433922346.db2.gz WXDYDJQGOAJDLB-SFHVURJKSA-N 1 0 394.548 3.320 20 30 GGEDRO CC[NH+]=C(NCCc1cc2ccccc2[nH]1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262015870 1433922427 /nfs/dbraw/zinc/92/24/27/1433922427.db2.gz XTHBSCFXKJCGHO-UWJYYQICSA-N 1 0 378.524 3.456 20 30 GGEDRO CC[NH+]=C(NCc1ccc(Br)c(F)c1)N1CC[C@]2(CCOC2)C1 ZINC000262022602 1433922594 /nfs/dbraw/zinc/92/25/94/1433922594.db2.gz ZCSRABPGZOUZAQ-KRWDZBQOSA-N 1 0 384.293 3.166 20 30 GGEDRO CC[NH+]=C(NCc1ccc(Br)c(F)c1)N1CC[C@@]2(CCOC2)C1 ZINC000262022604 1433922789 /nfs/dbraw/zinc/92/27/89/1433922789.db2.gz ZCSRABPGZOUZAQ-QGZVFWFLSA-N 1 0 384.293 3.166 20 30 GGEDRO C[NH+]=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CC[C@@]2(CCOC2)C1 ZINC000262026620 1433923521 /nfs/dbraw/zinc/92/35/21/1433923521.db2.gz ZXHBLVMOBWSXLK-OAQYLSRUSA-N 1 0 384.455 3.201 20 30 GGEDRO [NH2+]=C(NC[C@@H]1COC2(CCCCCC2)O1)Nc1ccc2c(c1)OCCCO2 ZINC000262124890 1433927912 /nfs/dbraw/zinc/92/79/12/1433927912.db2.gz KCSPRTGNEURHRW-MRXNPFEDSA-N 1 0 375.469 3.040 20 30 GGEDRO C[C@@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1ccc2ccccc2c1 ZINC000262230750 1433931901 /nfs/dbraw/zinc/93/19/01/1433931901.db2.gz NBUWJRLTLLDXBF-HZPDHXFCSA-N 1 0 385.533 3.033 20 30 GGEDRO CC[C@@H]1CCC[C@H]([NH+]=C(NCC(=O)N(C)C)N[C@@H]2CCOc3ccccc32)C1 ZINC000262264002 1433932825 /nfs/dbraw/zinc/93/28/25/1433932825.db2.gz FKCFLKQWUSUYRN-ZIFCJYIRSA-N 1 0 386.540 3.102 20 30 GGEDRO Cc1nc(CN2CCC(CNC(=[NH2+])Nc3cc(F)ccc3F)CC2)oc1C ZINC000262275768 1433933103 /nfs/dbraw/zinc/93/31/03/1433933103.db2.gz JJJRXNLCZXZPDA-UHFFFAOYSA-N 1 0 377.439 3.208 20 30 GGEDRO [NH2+]=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)Nc1cc(F)ccc1F ZINC000262283009 1433933394 /nfs/dbraw/zinc/93/33/94/1433933394.db2.gz LLTLMKQXJSOTHF-GOSISDBHSA-N 1 0 394.853 3.418 20 30 GGEDRO [NH2+]=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)Nc1cc(F)ccc1F ZINC000262279621 1433933418 /nfs/dbraw/zinc/93/34/18/1433933418.db2.gz KNYHEILTAFYGSI-GOSISDBHSA-N 1 0 394.853 3.418 20 30 GGEDRO [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)Nc1cc(F)ccc1F ZINC000262283012 1433933537 /nfs/dbraw/zinc/93/35/37/1433933537.db2.gz LLTLMKQXJSOTHF-SFHVURJKSA-N 1 0 394.853 3.418 20 30 GGEDRO CC[NH+]=C(NCCc1nnc2n1CCCCC2)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262291813 1433933728 /nfs/dbraw/zinc/93/37/28/1433933728.db2.gz XSGGSESYZVLSPO-IPMKNSEASA-N 1 0 386.588 3.461 20 30 GGEDRO [NH2+]=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000262323968 1433934914 /nfs/dbraw/zinc/93/49/14/1433934914.db2.gz QRNGKRSWUBUCQD-OAQYLSRUSA-N 1 0 382.483 3.115 20 30 GGEDRO [NH2+]=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262328141 1433935410 /nfs/dbraw/zinc/93/54/10/1433935410.db2.gz RHKPQVBDPUKEDS-KRWDZBQOSA-N 1 0 384.480 3.395 20 30 GGEDRO C[C@@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1ccc(Cl)cc1 ZINC000262346431 1433935903 /nfs/dbraw/zinc/93/59/03/1433935903.db2.gz DKWGWXUPKWEEJA-HUUCEWRRSA-N 1 0 397.972 3.314 20 30 GGEDRO CCC[C@]1(C)CCCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1 ZINC000262348361 1433936097 /nfs/dbraw/zinc/93/60/97/1433936097.db2.gz DQBMPTWPDQAPTD-FXAWDEMLSA-N 1 0 383.602 3.212 20 30 GGEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2cc(C(C)(C)C)ccc21 ZINC000262349929 1433936101 /nfs/dbraw/zinc/93/61/01/1433936101.db2.gz FAVRFUFCPWOMFQ-INIZCTEOSA-N 1 0 391.581 3.137 20 30 GGEDRO CCC[C@]1(C)CCCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1 ZINC000262348370 1433936249 /nfs/dbraw/zinc/93/62/49/1433936249.db2.gz DQBMPTWPDQAPTD-YLJYHZDGSA-N 1 0 383.602 3.212 20 30 GGEDRO Cc1ccsc1CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CCCC[C@H]1C ZINC000262374397 1433936990 /nfs/dbraw/zinc/93/69/90/1433936990.db2.gz JDSLNSVWBDQTBD-HYVNUMGLSA-N 1 0 397.610 3.105 20 30 GGEDRO C[C@@H](NC(=[NH2+])NCc1ccc2c(c1)C(=O)NCC2)c1ccc(Cl)cc1Cl ZINC000262386262 1433937351 /nfs/dbraw/zinc/93/73/51/1433937351.db2.gz PXSXWGONFYRUAA-LLVKDONJSA-N 1 0 391.302 3.445 20 30 GGEDRO C[NH+]=C(NC[C@H](c1ccco1)N1CCCCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262398494 1433937818 /nfs/dbraw/zinc/93/78/18/1433937818.db2.gz JQYXYRYNCZTIQX-ONCXSQPRSA-N 1 0 388.556 3.175 20 30 GGEDRO CC(C)C1CCC(NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CC1 ZINC000262398887 1433937853 /nfs/dbraw/zinc/93/78/53/1433937853.db2.gz NIFFARJGYNYPOM-LRYGQEGESA-N 1 0 383.602 3.114 20 30 GGEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000262411641 1433938207 /nfs/dbraw/zinc/93/82/07/1433938207.db2.gz PJYTZCLSFYJGPA-IAGOWNOFSA-N 1 0 391.581 3.005 20 30 GGEDRO [NH2+]=C(NCC1(c2ccc(F)cc2)CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000262423261 1433938388 /nfs/dbraw/zinc/93/83/88/1433938388.db2.gz AWVGAIBBTIXMCR-LJQANCHMSA-N 1 0 383.467 3.302 20 30 GGEDRO Cc1ccc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+][C@@H]2CCCC[C@H]2C)s1 ZINC000262417015 1433938483 /nfs/dbraw/zinc/93/84/83/1433938483.db2.gz QHYKBESNVYKCFJ-QGPMSJSTSA-N 1 0 397.610 3.105 20 30 GGEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N(C)Cc1ccc2ccccc2c1 ZINC000262424573 1433938553 /nfs/dbraw/zinc/93/85/53/1433938553.db2.gz RKZJPIUUFQMLTJ-SFHVURJKSA-N 1 0 387.549 3.060 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N(C)Cc1cc(OC)c(OC)cc1C ZINC000262431166 1433938569 /nfs/dbraw/zinc/93/85/69/1433938569.db2.gz SLPGVRUTFYOOHM-DBVUQKKJSA-N 1 0 389.540 3.223 20 30 GGEDRO Cc1cc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)ccc1Cl ZINC000262426036 1433938690 /nfs/dbraw/zinc/93/86/90/1433938690.db2.gz RQBCUXANFHJBIP-MRXNPFEDSA-N 1 0 397.972 3.061 20 30 GGEDRO C[NH+]=C(NCc1ccc(N2CCCC2)nc1)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000262436344 1433938881 /nfs/dbraw/zinc/93/88/81/1433938881.db2.gz GJRXJMQWGMPIAP-HXUWFJFHSA-N 1 0 393.535 3.255 20 30 GGEDRO O=S1(=O)CC[C@H](CNC(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)=[NH+]C2CCCCC2)C1 ZINC000262445446 1433939423 /nfs/dbraw/zinc/93/94/23/1433939423.db2.gz VFHIEYCVKVGIHK-AJYBTWMASA-N 1 0 395.613 3.258 20 30 GGEDRO CCC1(CC)CN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)c2ccccc21 ZINC000262445323 1433939432 /nfs/dbraw/zinc/93/94/32/1433939432.db2.gz VDXPROALTVSEBO-QGZVFWFLSA-N 1 0 391.581 3.353 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262449647 1433939522 /nfs/dbraw/zinc/93/95/22/1433939522.db2.gz VSQFOMVWIHVYEA-BIMULSAOSA-N 1 0 376.448 3.031 20 30 GGEDRO CC[NH+]=C(N[C@H](C)c1cccc(-n2cccn2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262447724 1433939671 /nfs/dbraw/zinc/93/96/71/1433939671.db2.gz VMFUDPWOQZHYCF-XWPNQZOQSA-N 1 0 381.524 3.302 20 30 GGEDRO Cn1c(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)nc2cc(Cl)ccc21 ZINC000262455498 1433939866 /nfs/dbraw/zinc/93/98/66/1433939866.db2.gz TTXCOXVCOQCJFK-UHFFFAOYSA-N 1 0 385.855 3.315 20 30 GGEDRO C[NH+]=C(NC[C@H](c1ccc(C)o1)N1CCOCC1)N1CC[C@@H](c2ccccc2)C1 ZINC000262474751 1433940396 /nfs/dbraw/zinc/94/03/96/1433940396.db2.gz PXBUYAIRDMPTBZ-NHCUHLMSSA-N 1 0 396.535 3.026 20 30 GGEDRO C[C@@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1ccccc1Cl ZINC000262476253 1433940398 /nfs/dbraw/zinc/94/03/98/1433940398.db2.gz ZVUKCPZPVNYHHC-CABCVRRESA-N 1 0 397.972 3.314 20 30 GGEDRO C[C@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+][C@H]1CCC[C@@H](C)C1)c1cccs1 ZINC000262475630 1433940427 /nfs/dbraw/zinc/94/04/27/1433940427.db2.gz ZSBMEFLQBPJHRJ-TWMKSMIVSA-N 1 0 397.610 3.358 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CCC1)N1CC[C@@H](COC)C1 ZINC000262481467 1433940710 /nfs/dbraw/zinc/94/07/10/1433940710.db2.gz ROHCSKKIXGCGBX-OAHLLOKOSA-N 1 0 394.357 3.415 20 30 GGEDRO CN(C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1c(F)cccc1F ZINC000262505102 1433941556 /nfs/dbraw/zinc/94/15/56/1433941556.db2.gz BGIDMOUPIVXGLS-INIZCTEOSA-N 1 0 390.434 3.156 20 30 GGEDRO CNC(=O)c1ccc(CNC(=[NH+]C)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000262525364 1433942199 /nfs/dbraw/zinc/94/21/99/1433942199.db2.gz GGMSHRNYUWUNFR-UHFFFAOYSA-N 1 0 376.863 3.046 20 30 GGEDRO [NH2+]=C(NCCc1ccc(Br)s1)N[C@H]1CCOc2ccccc21 ZINC000262543832 1433942874 /nfs/dbraw/zinc/94/28/74/1433942874.db2.gz ROOHXVSKIXMARE-ZDUSSCGKSA-N 1 0 380.311 3.481 20 30 GGEDRO CC(C)NC(=O)Nc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000262553179 1433943161 /nfs/dbraw/zinc/94/31/61/1433943161.db2.gz UFJIXLSEZLLLBP-SFHVURJKSA-N 1 0 381.480 3.145 20 30 GGEDRO [NH2+]=C(NCCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CCOc2ccccc21 ZINC000262549586 1433943251 /nfs/dbraw/zinc/94/32/51/1433943251.db2.gz XHCYLZVYXBXUCL-MRXNPFEDSA-N 1 0 397.866 3.361 20 30 GGEDRO CC(C)(CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000262560231 1433943672 /nfs/dbraw/zinc/94/36/72/1433943672.db2.gz WBJSWEKDNIRMSM-KRWDZBQOSA-N 1 0 381.476 3.164 20 30 GGEDRO Cc1ccccc1C1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCOCC1 ZINC000262563613 1433943786 /nfs/dbraw/zinc/94/37/86/1433943786.db2.gz XENMIBWHPIEUAW-FQEVSTJZSA-N 1 0 379.504 3.471 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCC2)NCC1(c2cccs2)CCCCC1 ZINC000262562897 1433943877 /nfs/dbraw/zinc/94/38/77/1433943877.db2.gz WWWUPJNNJKNUFQ-UHFFFAOYSA-N 1 0 386.569 3.243 20 30 GGEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCC2)c1)N[C@@H]1CCOc2ccccc21 ZINC000262568684 1433943928 /nfs/dbraw/zinc/94/39/28/1433943928.db2.gz YOALIXSTQUYEJN-LJQANCHMSA-N 1 0 378.476 3.353 20 30 GGEDRO C[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N(C)Cc1c(F)cccc1Cl ZINC000262573697 1433944157 /nfs/dbraw/zinc/94/41/57/1433944157.db2.gz NPLZQNKAWDQQRB-UHFFFAOYSA-N 1 0 397.903 3.090 20 30 GGEDRO C[NH+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)N1CCC[C@@H](C)C1 ZINC000262577422 1433944476 /nfs/dbraw/zinc/94/44/76/1433944476.db2.gz OZALFYRCENPKFI-SNVBAGLBSA-N 1 0 388.825 3.209 20 30 GGEDRO O=S1(=O)CC[C@@H](CNC(NCc2cccc(Cl)c2)=[NH+]C2CCCCC2)C1 ZINC000262596247 1433945268 /nfs/dbraw/zinc/94/52/68/1433945268.db2.gz WZDRHKLOWIXSAH-INIZCTEOSA-N 1 0 397.972 3.143 20 30 GGEDRO O=S1(=O)CC[C@H](CNC(NCc2cccc(Cl)c2)=[NH+]C2CCCCC2)C1 ZINC000262596248 1433945368 /nfs/dbraw/zinc/94/53/68/1433945368.db2.gz WZDRHKLOWIXSAH-MRXNPFEDSA-N 1 0 397.972 3.143 20 30 GGEDRO C[C@@H]1C[C@H]([NH+]=C(NCCc2ccco2)N[C@H]2CCOc3ccccc32)CCO1 ZINC000262645870 1433947706 /nfs/dbraw/zinc/94/77/06/1433947706.db2.gz IMPDOIGYXTUZFR-HLIPFELVSA-N 1 0 383.492 3.449 20 30 GGEDRO CSc1ccc([C@H](CNC2=[NH+]CCN2C)N2CCc3sccc3C2)cc1 ZINC000262644682 1433947711 /nfs/dbraw/zinc/94/77/11/1433947711.db2.gz IUCGXISAGGNCQL-SFHVURJKSA-N 1 0 386.590 3.460 20 30 GGEDRO C[C@@H](NC(=[NH2+])NCC1(S(C)(=O)=O)CCCC1)c1ccc(Cl)cc1Cl ZINC000262671025 1433948879 /nfs/dbraw/zinc/94/88/79/1433948879.db2.gz RBCBMMHFCXTKKA-LLVKDONJSA-N 1 0 392.352 3.316 20 30 GGEDRO c1coc(CCNC(N[C@H]2CCOC3(CCCCC3)C2)=[NH+]C2CCOCC2)c1 ZINC000262673209 1433949175 /nfs/dbraw/zinc/94/91/75/1433949175.db2.gz QCIWUZMJIMXBKW-IBGZPJMESA-N 1 0 389.540 3.418 20 30 GGEDRO C[C@H](NC(=[NH2+])NC[C@@H]1CCO[C@H]1c1ccnn1C)c1ccc(Cl)cc1Cl ZINC000262687345 1433950051 /nfs/dbraw/zinc/95/00/51/1433950051.db2.gz YVLPMSFVVCSLRP-NVGCLXPQSA-N 1 0 396.322 3.470 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2Br)CC1)N1CC[C@@H](COC)C1 ZINC000262692337 1433950673 /nfs/dbraw/zinc/95/06/73/1433950673.db2.gz WIGDHRKMGFDDTG-CQSZACIVSA-N 1 0 380.330 3.024 20 30 GGEDRO [NH2+]=C(NC[C@H](O)c1cc(F)cc(Cl)c1)Nc1ccc2c(c1)OCCCO2 ZINC000262750506 1433953447 /nfs/dbraw/zinc/95/34/47/1433953447.db2.gz BRVLYAKNOKQSSF-HNNXBMFYSA-N 1 0 379.819 3.101 20 30 GGEDRO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N(C)Cc1ccc2ccccc2c1 ZINC000262759913 1433954192 /nfs/dbraw/zinc/95/41/92/1433954192.db2.gz FREZCLCDJLHQRG-GOSISDBHSA-N 1 0 376.508 3.010 20 30 GGEDRO C[NH+]=C(NCc1ccc(-c2nc3ccccc3s2)o1)N[C@@H]1CCN(C2CC2)C1 ZINC000262767389 1433954568 /nfs/dbraw/zinc/95/45/68/1433954568.db2.gz JKHSEXUXEWBYMD-CQSZACIVSA-N 1 0 395.532 3.458 20 30 GGEDRO C[NH+]=C(NCc1cnc(C)s1)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000262764209 1433954589 /nfs/dbraw/zinc/95/45/89/1433954589.db2.gz IXFREMZGUXQXPH-CQSZACIVSA-N 1 0 393.944 3.057 20 30 GGEDRO CC[NH+]=C(NCc1ccnc(OC2CCOCC2)c1)N1CCc2ccccc21 ZINC000262769448 1433954652 /nfs/dbraw/zinc/95/46/52/1433954652.db2.gz IFZSRXPURRLTIS-UHFFFAOYSA-N 1 0 380.492 3.168 20 30 GGEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@H](C)c1cc2ccccc2o1 ZINC000262786420 1433955833 /nfs/dbraw/zinc/95/58/33/1433955833.db2.gz MTBUJKZAYARFRY-ZBFHGGJFSA-N 1 0 380.496 3.211 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCOC1)NCC1(c2cccc(Br)c2)CCC1 ZINC000262784449 1433955846 /nfs/dbraw/zinc/95/58/46/1433955846.db2.gz JMXWSIOKTBBINZ-AWEZNQCLSA-N 1 0 380.330 3.072 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262790258 1433956374 /nfs/dbraw/zinc/95/63/74/1433956374.db2.gz NYTGJPKBUIFYDD-AWEZNQCLSA-N 1 0 395.338 3.163 20 30 GGEDRO [NH2+]=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)Nc1ccc2c(c1)OCCCO2 ZINC000262801600 1433957431 /nfs/dbraw/zinc/95/74/31/1433957431.db2.gz MNDPJUNFTXEGER-SJKOYZFVSA-N 1 0 387.402 3.058 20 30 GGEDRO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CC2(CCCC2)c2ccccc21 ZINC000262829295 1433959629 /nfs/dbraw/zinc/95/96/29/1433959629.db2.gz ZKXFRDJAOOINOD-QGZVFWFLSA-N 1 0 378.524 3.056 20 30 GGEDRO C[NH+]=C(NCc1c(C)nn(C)c1C)NCc1ccc(Br)cc1Cl ZINC000262829441 1433959721 /nfs/dbraw/zinc/95/97/21/1433959721.db2.gz RCTBGAWLHDIAIX-UHFFFAOYSA-N 1 0 398.736 3.318 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC2(CCCC2)c2ccccc21 ZINC000262829294 1433959800 /nfs/dbraw/zinc/95/98/00/1433959800.db2.gz ZKXFRDJAOOINOD-KRWDZBQOSA-N 1 0 378.524 3.056 20 30 GGEDRO C[NH+]=C(NCc1scnc1C)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000262984834 1433973055 /nfs/dbraw/zinc/97/30/55/1433973055.db2.gz UREUAXHLJKFOQH-AWEZNQCLSA-N 1 0 393.944 3.057 20 30 GGEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000263117682 1433987299 /nfs/dbraw/zinc/98/72/99/1433987299.db2.gz FZVQCCDSQAWQDU-UHFFFAOYSA-N 1 0 391.855 3.445 20 30 GGEDRO [NH2+]=C(NCc1c(Br)cncc1Br)N1CCCCCC1 ZINC000263199695 1433994405 /nfs/dbraw/zinc/99/44/05/1433994405.db2.gz XBUCWVGFYZHHHR-UHFFFAOYSA-N 1 0 390.123 3.297 20 30 GGEDRO CC[NH+]=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N1CCCC1 ZINC000263253951 1433998923 /nfs/dbraw/zinc/99/89/23/1433998923.db2.gz PYZQOLAKNMJDNE-HNNXBMFYSA-N 1 0 379.346 3.337 20 30 GGEDRO N#CCc1ccc(NC(=O)CNc2ccccc2C[NH+]2CCC(CO)CC2)cc1 ZINC000263648202 1434015277 /nfs/dbraw/zinc/01/52/77/1434015277.db2.gz FVUSLSCCFWRCKV-UHFFFAOYSA-N 1 0 392.503 3.008 20 30 GGEDRO CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000263683330 1434020524 /nfs/dbraw/zinc/02/05/24/1434020524.db2.gz JOSZXHCIULBEIY-IBGZPJMESA-N 1 0 398.551 3.011 20 30 GGEDRO COc1ccc(C[NH2+]CCN(C)C(=O)OC(C)(C)C)cc1OCCCC#N ZINC000263695309 1434021995 /nfs/dbraw/zinc/02/19/95/1434021995.db2.gz DNAKNBMLJLOBBE-UHFFFAOYSA-N 1 0 377.485 3.334 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000263698498 1434022544 /nfs/dbraw/zinc/02/25/44/1434022544.db2.gz IEEWLTDCYUDOLT-ROUUACIJSA-N 1 0 391.581 3.280 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263723501 1434025654 /nfs/dbraw/zinc/02/56/54/1434025654.db2.gz OUCLSHCDXXXNPX-UHFFFAOYSA-N 1 0 394.450 3.377 20 30 GGEDRO C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)N1CC[NH+](C)CC1 ZINC000263751013 1434029393 /nfs/dbraw/zinc/02/93/93/1434029393.db2.gz KBGONYIYFPKHIO-QGZVFWFLSA-N 1 0 394.544 3.075 20 30 GGEDRO COc1cc(NC(=O)CC[N@H+](C)Cc2cccc(C#N)c2)cc(OC)c1OC ZINC000263811452 1434036759 /nfs/dbraw/zinc/03/67/59/1434036759.db2.gz MYCNIOGPRKATSO-UHFFFAOYSA-N 1 0 383.448 3.045 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSCC(=O)c1ccccc1 ZINC000263820189 1434037621 /nfs/dbraw/zinc/03/76/21/1434037621.db2.gz LZJLPPUODZIRCF-UHFFFAOYSA-N 1 0 395.528 3.065 20 30 GGEDRO COc1cc(NC(=O)CC[N@H+](C)Cc2ccc(C#N)cc2)cc(OC)c1OC ZINC000263821937 1434037852 /nfs/dbraw/zinc/03/78/52/1434037852.db2.gz QKDIHFZPLJDDCI-UHFFFAOYSA-N 1 0 383.448 3.045 20 30 GGEDRO C[C@H](NC(=O)c1cccc(CC#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000263835876 1434039722 /nfs/dbraw/zinc/03/97/22/1434039722.db2.gz ZZBMPXXZHJKFAP-INIZCTEOSA-N 1 0 380.467 3.135 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[NH+]2CCCC2)o1 ZINC000263840974 1434040567 /nfs/dbraw/zinc/04/05/67/1434040567.db2.gz WTZILZKUSAXXQN-LJQANCHMSA-N 1 0 396.491 3.063 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000263855970 1434042086 /nfs/dbraw/zinc/04/20/86/1434042086.db2.gz RLUBSSMSYDDLBV-UHFFFAOYSA-N 1 0 394.494 3.293 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccccc2OC)C(=S)NC2CCOCC2)cc1 ZINC000263909113 1434047925 /nfs/dbraw/zinc/04/79/25/1434047925.db2.gz JYAIHXAUERLPER-UHFFFAOYSA-O 1 0 399.536 3.253 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000263951766 1434052708 /nfs/dbraw/zinc/05/27/08/1434052708.db2.gz DQZYYCGAHUSQSA-UHFFFAOYSA-N 1 0 396.535 3.190 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000263995888 1434059473 /nfs/dbraw/zinc/05/94/73/1434059473.db2.gz XKKSPPDYRVYYCQ-UHFFFAOYSA-N 1 0 387.911 3.250 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000263998336 1434059537 /nfs/dbraw/zinc/05/95/37/1434059537.db2.gz MQYNVQBXEBIEKH-QWHCGFSZSA-N 1 0 396.878 3.408 20 30 GGEDRO CCCN(CCC)C(=O)c1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000264018414 1434062788 /nfs/dbraw/zinc/06/27/88/1434062788.db2.gz IHDWZHYYEPJPNO-UHFFFAOYSA-N 1 0 386.540 3.256 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCCCc2nnc(SC)n2C2CCCC2)cc1 ZINC000264064949 1434068212 /nfs/dbraw/zinc/06/82/12/1434068212.db2.gz AUNVZBWKOUXCDH-UHFFFAOYSA-N 1 0 388.541 3.483 20 30 GGEDRO Cc1ccc(NC(=[NH2+])NCc2ccccc2CS(=O)(=O)NC(C)C)cc1C ZINC000264064834 1434068229 /nfs/dbraw/zinc/06/82/29/1434068229.db2.gz DSTLMSJRDNYRQR-UHFFFAOYSA-N 1 0 388.537 3.058 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1OC ZINC000264075586 1434069413 /nfs/dbraw/zinc/06/94/13/1434069413.db2.gz FOPHSUBJTCLIFT-WIYYLYMNSA-N 1 0 383.492 3.276 20 30 GGEDRO COc1cccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)N2CCCC2)c1 ZINC000264079279 1434070005 /nfs/dbraw/zinc/07/00/05/1434070005.db2.gz IDDFHOMXADFABW-IBGZPJMESA-N 1 0 398.507 3.276 20 30 GGEDRO CCc1cccc(CC)c1NC(=[NH2+])NCC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000264093485 1434071088 /nfs/dbraw/zinc/07/10/88/1434071088.db2.gz LPDQSCXFTAMGHU-GOSISDBHSA-N 1 0 397.445 3.112 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(C(=O)N(CCC#N)Cc2ccccn2)cc1 ZINC000264097426 1434071496 /nfs/dbraw/zinc/07/14/96/1434071496.db2.gz TWISVWOFTMCXJQ-UHFFFAOYSA-N 1 0 380.492 3.358 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000264122084 1434073705 /nfs/dbraw/zinc/07/37/05/1434073705.db2.gz FHHVIRKWGRDPQO-UHFFFAOYSA-N 1 0 388.471 3.197 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)/C=C/c1ccc(OCc2cccnc2)cc1 ZINC000264289564 1434093379 /nfs/dbraw/zinc/09/33/79/1434093379.db2.gz WMQIGAXMENJPKD-FMIVXFBMSA-N 1 0 392.503 3.368 20 30 GGEDRO Cn1ccnc1SCc1cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000264299740 1434094505 /nfs/dbraw/zinc/09/45/05/1434094505.db2.gz YSCSUKKTXSCZPJ-UHFFFAOYSA-N 1 0 385.537 3.020 20 30 GGEDRO N#CCOc1ccc(/C=C/C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000264301701 1434094759 /nfs/dbraw/zinc/09/47/59/1434094759.db2.gz MCGISFZZNUTHEE-NJTIBFSMSA-N 1 0 389.499 3.283 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCCc2coc(-c3ccc(C)cc3)n2)cc1OC ZINC000264300889 1434094778 /nfs/dbraw/zinc/09/47/78/1434094778.db2.gz RVZMYGZHFAQSOX-UHFFFAOYSA-N 1 0 394.475 3.314 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)CC1 ZINC000264345673 1434099855 /nfs/dbraw/zinc/09/98/55/1434099855.db2.gz GDNMZPCIAMVZQE-UHFFFAOYSA-N 1 0 381.501 3.213 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000264360332 1434102175 /nfs/dbraw/zinc/10/21/75/1434102175.db2.gz HJXUXXQHXPFLHM-ROUUACIJSA-N 1 0 386.540 3.462 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(COCCOCC)c2)CC1 ZINC000264401895 1434107750 /nfs/dbraw/zinc/10/77/50/1434107750.db2.gz PAZWZMJGQJNEMP-UHFFFAOYSA-N 1 0 375.513 3.402 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000264412300 1434109381 /nfs/dbraw/zinc/10/93/81/1434109381.db2.gz OWVULVDSUIFTID-SFHVURJKSA-N 1 0 387.915 3.113 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCCCCC3)nc2)CC1 ZINC000264422291 1434110616 /nfs/dbraw/zinc/11/06/16/1434110616.db2.gz XCLARXDXGKOBSB-UHFFFAOYSA-N 1 0 385.556 3.302 20 30 GGEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000264488147 1434119513 /nfs/dbraw/zinc/11/95/13/1434119513.db2.gz XXJGSOKZXRVJRA-QGZVFWFLSA-N 1 0 394.544 3.075 20 30 GGEDRO N#CCOc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000264540565 1434125881 /nfs/dbraw/zinc/12/58/81/1434125881.db2.gz HNDGGVJCBOTIPB-UHFFFAOYSA-N 1 0 383.517 3.221 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)c1 ZINC000264546882 1434126485 /nfs/dbraw/zinc/12/64/85/1434126485.db2.gz GNDCDBIAOFOJRB-OAQYLSRUSA-N 1 0 388.471 3.014 20 30 GGEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)o1 ZINC000264575696 1434129829 /nfs/dbraw/zinc/12/98/29/1434129829.db2.gz SYQKQXDNNDNMEG-SFHVURJKSA-N 1 0 379.460 3.431 20 30 GGEDRO COc1cc(NC(=O)CC[N@H+](CCC#N)CC(C)(C)C)cc(OC)c1OC ZINC000264607988 1434134342 /nfs/dbraw/zinc/13/43/42/1434134342.db2.gz IHYHNFPFQNPYAF-UHFFFAOYSA-N 1 0 377.485 3.303 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1cccc(OC)c1 ZINC000264626623 1434136685 /nfs/dbraw/zinc/13/66/85/1434136685.db2.gz IPEGBQFDHHGLAK-JOCHJYFZSA-N 1 0 395.503 3.339 20 30 GGEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000264733260 1434149719 /nfs/dbraw/zinc/14/97/19/1434149719.db2.gz ZZQZVTRKRFCKMR-SFHLNBCPSA-N 1 0 399.535 3.208 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1 ZINC000264932788 1434165663 /nfs/dbraw/zinc/16/56/63/1434165663.db2.gz BNWVHXZRXHEDJU-UHFFFAOYSA-N 1 0 380.492 3.279 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC000264992834 1434172343 /nfs/dbraw/zinc/17/23/43/1434172343.db2.gz XLTRLMXKZBFHMT-QGZVFWFLSA-N 1 0 389.496 3.477 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](C4CCC4)CC3)sc2C1 ZINC000265135091 1434189253 /nfs/dbraw/zinc/18/92/53/1434189253.db2.gz ODRHLMMAYXBNCW-OAHLLOKOSA-N 1 0 386.565 3.243 20 30 GGEDRO COC(=O)CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000265142196 1434190037 /nfs/dbraw/zinc/19/00/37/1434190037.db2.gz MCZXTFOUYKUTHZ-HNNXBMFYSA-N 1 0 377.510 3.293 20 30 GGEDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000265182927 1434195651 /nfs/dbraw/zinc/19/56/51/1434195651.db2.gz NKONTNCBGWSDLK-UYAOXDASSA-N 1 0 379.508 3.200 20 30 GGEDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000265182924 1434195691 /nfs/dbraw/zinc/19/56/91/1434195691.db2.gz NKONTNCBGWSDLK-AZUAARDMSA-N 1 0 379.508 3.200 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000265250187 1434207261 /nfs/dbraw/zinc/20/72/61/1434207261.db2.gz QQCFKQJSXNPOFL-DENIHFKCSA-N 1 0 398.551 3.393 20 30 GGEDRO O=C(c1ccccc1)C(C(=S)NC(C1CC1)C1CC1)[n+]1cccc(CO)c1 ZINC000265383353 1434227097 /nfs/dbraw/zinc/22/70/97/1434227097.db2.gz ROQYVQNQUYEOGF-UHFFFAOYSA-O 1 0 381.521 3.183 20 30 GGEDRO COc1ccc(C[NH2+]Cc2cccc(-n3cncn3)c2)cc1OCCCC#N ZINC000265424509 1434232631 /nfs/dbraw/zinc/23/26/31/1434232631.db2.gz QGXWCZIHYLKUHX-UHFFFAOYSA-N 1 0 377.448 3.248 20 30 GGEDRO Cn1c(CC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc2ccccc21 ZINC000265518485 1434241679 /nfs/dbraw/zinc/24/16/79/1434241679.db2.gz QVVTYTQYPXMFGY-UHFFFAOYSA-N 1 0 387.487 3.338 20 30 GGEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000265560248 1434245955 /nfs/dbraw/zinc/24/59/55/1434245955.db2.gz NITLVVVLJNNUFO-CQSZACIVSA-N 1 0 398.894 3.396 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](c3ccc(C)o3)N2C(=O)OCC)CC1 ZINC000265643989 1434252844 /nfs/dbraw/zinc/25/28/44/1434252844.db2.gz SMWQMFWOIXJIER-MSOLQXFVSA-N 1 0 389.496 3.017 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000265839212 1434270876 /nfs/dbraw/zinc/27/08/76/1434270876.db2.gz NFUQLXAROGXKMI-UHFFFAOYSA-N 1 0 385.508 3.107 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000266005559 1434295443 /nfs/dbraw/zinc/29/54/43/1434295443.db2.gz PRXBZFKGHQTNEP-UHFFFAOYSA-N 1 0 395.459 3.002 20 30 GGEDRO C=CCc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)cc(OC)c1O ZINC000266185940 1434309100 /nfs/dbraw/zinc/30/91/00/1434309100.db2.gz WZCZFSGOADFKDZ-FQEVSTJZSA-N 1 0 393.487 3.058 20 30 GGEDRO C=CC[NH+]1CCC(Nc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1 ZINC000266338944 1434322004 /nfs/dbraw/zinc/32/20/04/1434322004.db2.gz HZWOKIOJGYEGNZ-UHFFFAOYSA-N 1 0 380.826 3.226 20 30 GGEDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000266404716 1434331594 /nfs/dbraw/zinc/33/15/94/1434331594.db2.gz PVAKSFDKOFEZAL-UHFFFAOYSA-N 1 0 384.402 3.199 20 30 GGEDRO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000266433749 1434336123 /nfs/dbraw/zinc/33/61/23/1434336123.db2.gz DQWFXLIIDYISOU-IAGOWNOFSA-N 1 0 392.503 3.257 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000266858716 1434382556 /nfs/dbraw/zinc/38/25/56/1434382556.db2.gz RHGSZBPVPOFJIG-UHFFFAOYSA-N 1 0 389.887 3.017 20 30 GGEDRO CC[NH+](CC)CCSCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000266860821 1434382733 /nfs/dbraw/zinc/38/27/33/1434382733.db2.gz URUOCHJNALSDKT-UHFFFAOYSA-N 1 0 375.538 3.003 20 30 GGEDRO C#CC[N@H+](CC)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000266898825 1434386686 /nfs/dbraw/zinc/38/66/86/1434386686.db2.gz FZXVSEFGQQCQEA-UHFFFAOYSA-N 1 0 379.460 3.231 20 30 GGEDRO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000266952395 1434392137 /nfs/dbraw/zinc/39/21/37/1434392137.db2.gz HJHJUOGBWJERGX-UGKGYDQZSA-N 1 0 395.503 3.256 20 30 GGEDRO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000266952389 1434392277 /nfs/dbraw/zinc/39/22/77/1434392277.db2.gz HJHJUOGBWJERGX-KNQAVFIVSA-N 1 0 395.503 3.256 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000266988574 1434396324 /nfs/dbraw/zinc/39/63/24/1434396324.db2.gz WTYPSAACMAEYBX-XLIONFOSSA-N 1 0 398.894 3.216 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1)CC(F)(F)F ZINC000267103036 1434407708 /nfs/dbraw/zinc/40/77/08/1434407708.db2.gz OXZLXZJJQDTJAB-QGZVFWFLSA-N 1 0 396.457 3.139 20 30 GGEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCCN(CC#N)C2)c1 ZINC000267144414 1434410392 /nfs/dbraw/zinc/41/03/92/1434410392.db2.gz ZLUIYELVASMXAA-QFIPXVFZSA-N 1 0 390.531 3.284 20 30 GGEDRO Cc1ncc(CO)c(/C=N/CCCOC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000267287369 1434419416 /nfs/dbraw/zinc/41/94/16/1434419416.db2.gz HZHLNLCEBUHPLH-BUVRLJJBSA-N 1 0 397.519 3.078 20 30 GGEDRO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000267290853 1434419912 /nfs/dbraw/zinc/41/99/12/1434419912.db2.gz CAMINONVIJCQRW-QGZVFWFLSA-N 1 0 392.503 3.075 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1cc(C)c(F)cc1F)[n+]1cccc(CO)c1 ZINC000267302269 1434420992 /nfs/dbraw/zinc/42/09/92/1434420992.db2.gz KICTWVSVBQWMBT-ZDUSSCGKSA-O 1 0 393.479 3.380 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000267310994 1434421674 /nfs/dbraw/zinc/42/16/74/1434421674.db2.gz IEPYKJPIXVQXPO-PGRDOPGGSA-N 1 0 392.503 3.299 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1ccc([S@](C)=O)cc1)C(C)C ZINC000267333658 1434423538 /nfs/dbraw/zinc/42/35/38/1434423538.db2.gz MHTNWUINLYDLBM-HRFSGMKKSA-N 1 0 391.581 3.264 20 30 GGEDRO CN(C)C(=O)c1cccc(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c1 ZINC000267414239 1434430566 /nfs/dbraw/zinc/43/05/66/1434430566.db2.gz IVLXOZDXECITLT-UHFFFAOYSA-N 1 0 392.425 3.054 20 30 GGEDRO Cc1ccoc1C(=O)NCCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000267419156 1434430896 /nfs/dbraw/zinc/43/08/96/1434430896.db2.gz KATWKCRQSBZVQO-UHFFFAOYSA-N 1 0 384.358 3.033 20 30 GGEDRO CCNC(=S)C(C(=O)c1cc(C)c(F)cc1F)[n+]1ccc(N(C)C)cc1 ZINC000267419717 1434430985 /nfs/dbraw/zinc/43/09/85/1434430985.db2.gz ZHFBBVVWJUPMIN-UHFFFAOYSA-O 1 0 378.468 3.175 20 30 GGEDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000267443903 1434434074 /nfs/dbraw/zinc/43/40/74/1434434074.db2.gz CQQGSWFJSQZVGV-UHFFFAOYSA-N 1 0 390.915 3.024 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)NCCCCCCC[NH+]2CCCC2)ccc1Cl ZINC000267447801 1434434465 /nfs/dbraw/zinc/43/44/65/1434434465.db2.gz WZTAKFCPSKZEIU-UHFFFAOYSA-N 1 0 390.915 3.313 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000267492587 1434440377 /nfs/dbraw/zinc/44/03/77/1434440377.db2.gz WLSNNPKAQUJEAW-AVRDEDQJSA-N 1 0 377.488 3.158 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000267492604 1434440391 /nfs/dbraw/zinc/44/03/91/1434440391.db2.gz WLSNNPKAQUJEAW-PGRDOPGGSA-N 1 0 377.488 3.158 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000267566011 1434446341 /nfs/dbraw/zinc/44/63/41/1434446341.db2.gz BZBMKCCVBQOTSR-NRFANRHFSA-N 1 0 392.503 3.162 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2nccn2CCCc2ccccc2)cc1OC ZINC000267602615 1434448986 /nfs/dbraw/zinc/44/89/86/1434448986.db2.gz XONHOENFBMDUEX-UHFFFAOYSA-N 1 0 393.491 3.460 20 30 GGEDRO CC(C)[C@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000267667924 1434453955 /nfs/dbraw/zinc/45/39/55/1434453955.db2.gz ZOXKJRJZGVQGTF-QFIPXVFZSA-N 1 0 391.519 3.220 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-n2cccn2)cc1 ZINC000267725576 1434458684 /nfs/dbraw/zinc/45/86/84/1434458684.db2.gz VSRNNFJRWJBHQB-KSSFIOAISA-N 1 0 377.473 3.262 20 30 GGEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cc1ccc(OCC#N)cc1 ZINC000267732799 1434459251 /nfs/dbraw/zinc/45/92/51/1434459251.db2.gz NHFKLVRQTKXCBI-UHFFFAOYSA-N 1 0 385.430 3.254 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000267914748 1434476524 /nfs/dbraw/zinc/47/65/24/1434476524.db2.gz FZFYBEAAMCNVNQ-UHFFFAOYSA-N 1 0 381.480 3.360 20 30 GGEDRO CCOCCOc1ccc(Cl)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000267922809 1434477306 /nfs/dbraw/zinc/47/73/06/1434477306.db2.gz JMKWEGIQKHUTRG-UHFFFAOYSA-N 1 0 396.919 3.455 20 30 GGEDRO COC(=O)c1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1F ZINC000268085688 1434493625 /nfs/dbraw/zinc/49/36/25/1434493625.db2.gz RCTRGHSONIUOTF-UHFFFAOYSA-N 1 0 395.434 3.335 20 30 GGEDRO N#Cc1ccc(/C=C/C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000268656551 1434544900 /nfs/dbraw/zinc/54/49/00/1434544900.db2.gz LBMQDIFKETYIDU-CMDGGOBGSA-N 1 0 375.472 3.414 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(Cl)c1 ZINC000269093223 1434590963 /nfs/dbraw/zinc/59/09/63/1434590963.db2.gz LGXFWSMPSZQWJP-UHFFFAOYSA-N 1 0 396.878 3.062 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000269128901 1434595473 /nfs/dbraw/zinc/59/54/73/1434595473.db2.gz IJBRKWLWAWEETJ-UHFFFAOYSA-N 1 0 387.487 3.369 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(Cl)c1 ZINC000269146800 1434597243 /nfs/dbraw/zinc/59/72/43/1434597243.db2.gz PPYQBRDESDEMFV-IEBWSBKVSA-N 1 0 398.894 3.216 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269358747 1434630647 /nfs/dbraw/zinc/63/06/47/1434630647.db2.gz TZAORJKHWXQCCY-DLBZAZTESA-N 1 0 397.972 3.477 20 30 GGEDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3F)CC2)cc1OC ZINC000269428760 1434644138 /nfs/dbraw/zinc/64/41/38/1434644138.db2.gz OTGYZNJOLLKOBM-UHFFFAOYSA-N 1 0 397.450 3.109 20 30 GGEDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000269459859 1434648961 /nfs/dbraw/zinc/64/89/61/1434648961.db2.gz XSALEONBLJMJMP-HOTGVXAUSA-N 1 0 381.451 3.237 20 30 GGEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000269584666 1434661225 /nfs/dbraw/zinc/66/12/25/1434661225.db2.gz MFNUCKXXASYYGQ-INIZCTEOSA-N 1 0 379.464 3.331 20 30 GGEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)CC1 ZINC000269624755 1434664655 /nfs/dbraw/zinc/66/46/55/1434664655.db2.gz RNPMIMCIJJIPQK-JOCHJYFZSA-N 1 0 397.567 3.231 20 30 GGEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269679434 1434668687 /nfs/dbraw/zinc/66/86/87/1434668687.db2.gz MRPLTJSMGYCUFP-KRWDZBQOSA-N 1 0 389.503 3.467 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)c1 ZINC000269695252 1434669902 /nfs/dbraw/zinc/66/99/02/1434669902.db2.gz OTHTYADUBDMROM-OAQYLSRUSA-N 1 0 394.519 3.142 20 30 GGEDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)CC1 ZINC000269806126 1434677124 /nfs/dbraw/zinc/67/71/24/1434677124.db2.gz DDWQAMPHJSGSHK-UHFFFAOYSA-N 1 0 387.484 3.465 20 30 GGEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)C1 ZINC000269854858 1434681570 /nfs/dbraw/zinc/68/15/70/1434681570.db2.gz SBNCDNHLPZGSDD-OAHLLOKOSA-N 1 0 387.484 3.322 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000269951632 1434689524 /nfs/dbraw/zinc/68/95/24/1434689524.db2.gz JDUVBWCHRIIOLJ-PZBISTMVSA-N 1 0 397.519 3.268 20 30 GGEDRO C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)OCC ZINC000270041652 1434695698 /nfs/dbraw/zinc/69/56/98/1434695698.db2.gz JMSOQKSIKROCRS-IBGZPJMESA-N 1 0 388.512 3.212 20 30 GGEDRO CC(C)(CCC#N)C[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000270218664 1434714033 /nfs/dbraw/zinc/71/40/33/1434714033.db2.gz PEAVSVDFLXUQOW-UHFFFAOYSA-N 1 0 381.517 3.288 20 30 GGEDRO C=C(C)[C@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC)OCC ZINC000270229432 1434715130 /nfs/dbraw/zinc/71/51/30/1434715130.db2.gz VACCWBZSGUCQAG-IBGZPJMESA-N 1 0 375.513 3.147 20 30 GGEDRO C#CC[C@@H](NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000270411480 1434731263 /nfs/dbraw/zinc/73/12/63/1434731263.db2.gz LMNFFGILEJMMTH-XQBPLPMBSA-N 1 0 383.536 3.282 20 30 GGEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2)C1 ZINC000270531553 1434741736 /nfs/dbraw/zinc/74/17/36/1434741736.db2.gz VQDSCGATKPMMNM-GOSISDBHSA-N 1 0 393.487 3.491 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC000270585393 1434747272 /nfs/dbraw/zinc/74/72/72/1434747272.db2.gz XIOLOASYRBAEON-UHFFFAOYSA-N 1 0 395.503 3.168 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270718932 1434765904 /nfs/dbraw/zinc/76/59/04/1434765904.db2.gz NKBAJHDBDZPZCO-UHFFFAOYSA-N 1 0 395.507 3.015 20 30 GGEDRO C=C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000270821076 1434778531 /nfs/dbraw/zinc/77/85/31/1434778531.db2.gz IEVGNZDNYCRZHI-MZYLBHOOSA-N 1 0 378.516 3.346 20 30 GGEDRO N#CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000270861305 1434782522 /nfs/dbraw/zinc/78/25/22/1434782522.db2.gz MAEVZMXEFUUDPV-UHFFFAOYSA-N 1 0 379.460 3.046 20 30 GGEDRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccc(C#N)cc1 ZINC000270887779 1434785399 /nfs/dbraw/zinc/78/53/99/1434785399.db2.gz PUWDLTXDMHUCPS-QGZVFWFLSA-N 1 0 377.488 3.254 20 30 GGEDRO COc1cc(O)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC ZINC000271080403 1434800777 /nfs/dbraw/zinc/80/07/77/1434800777.db2.gz IOQBHGCWZABAGA-UHFFFAOYSA-N 1 0 395.459 3.132 20 30 GGEDRO COc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc(OC)c1OC ZINC000271092013 1434801386 /nfs/dbraw/zinc/80/13/86/1434801386.db2.gz VMGCUZFOLWIBLJ-UHFFFAOYSA-N 1 0 397.475 3.459 20 30 GGEDRO COc1ccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)cc1OCCCC#N ZINC000271112570 1434802561 /nfs/dbraw/zinc/80/25/61/1434802561.db2.gz AIHVWNSQPGBFEZ-NRFANRHFSA-N 1 0 398.503 3.387 20 30 GGEDRO COc1ccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)cc1OCCCC#N ZINC000271167938 1434805873 /nfs/dbraw/zinc/80/58/73/1434805873.db2.gz CPBLFZLQRSPYBD-UHFFFAOYSA-N 1 0 389.540 3.168 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC ZINC000271173211 1434806091 /nfs/dbraw/zinc/80/60/91/1434806091.db2.gz MOYORUUNZXZUNT-UHFFFAOYSA-N 1 0 379.460 3.426 20 30 GGEDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000271184256 1434806736 /nfs/dbraw/zinc/80/67/36/1434806736.db2.gz MGKVGUGOVSZIQJ-IBGZPJMESA-N 1 0 378.476 3.239 20 30 GGEDRO COc1cc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1SC(F)F ZINC000271452282 1434825821 /nfs/dbraw/zinc/82/58/21/1434825821.db2.gz IKDAVCUYRDTGHN-WHBPPDGWSA-N 1 0 397.447 3.187 20 30 GGEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCCc3nc4ccccc4s3)CC2)c1 ZINC000271651752 1434841934 /nfs/dbraw/zinc/84/19/34/1434841934.db2.gz BGGNAHCAOPVPHY-UHFFFAOYSA-N 1 0 376.485 3.106 20 30 GGEDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)nc2nc(C(F)(F)F)nn21 ZINC000271656070 1434842343 /nfs/dbraw/zinc/84/23/43/1434842343.db2.gz JYMYCMCQNKFJTA-NSHDSACASA-N 1 0 390.369 3.264 20 30 GGEDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1OCC ZINC000271669298 1434843056 /nfs/dbraw/zinc/84/30/56/1434843056.db2.gz HPLKKHWUZLXSPK-INIZCTEOSA-N 1 0 381.476 3.323 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000271682987 1434844039 /nfs/dbraw/zinc/84/40/39/1434844039.db2.gz PGIXWHHKQIENRI-QGZVFWFLSA-N 1 0 392.503 3.495 20 30 GGEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000271697560 1434844836 /nfs/dbraw/zinc/84/48/36/1434844836.db2.gz GOBPGGFLQHUIRB-OAQYLSRUSA-N 1 0 385.552 3.389 20 30 GGEDRO C#CC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000271703462 1434845187 /nfs/dbraw/zinc/84/51/87/1434845187.db2.gz NBJOJMNKOIDWEI-HXUWFJFHSA-N 1 0 377.488 3.021 20 30 GGEDRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000271707464 1434845446 /nfs/dbraw/zinc/84/54/46/1434845446.db2.gz VEGYBUCLCKVCDO-HZPDHXFCSA-N 1 0 381.476 3.494 20 30 GGEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc(OC)c1OC ZINC000271738152 1434847259 /nfs/dbraw/zinc/84/72/59/1434847259.db2.gz ICNVGOWICPDOMY-LBPRGKRZSA-N 1 0 387.436 3.083 20 30 GGEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCCc3ccc(OC(F)F)cc3)CC2)c1 ZINC000271775389 1434849719 /nfs/dbraw/zinc/84/97/19/1434849719.db2.gz KPOFOWBKBXLDQW-UHFFFAOYSA-N 1 0 385.414 3.097 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)CC(=O)N2C ZINC000271793316 1434850965 /nfs/dbraw/zinc/85/09/65/1434850965.db2.gz IOZXAXABHFRSOO-LBPRGKRZSA-N 1 0 382.851 3.020 20 30 GGEDRO C[C@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000271834888 1434853684 /nfs/dbraw/zinc/85/36/84/1434853684.db2.gz FSTFANUUFVWYBV-LAUBAEHRSA-N 1 0 393.487 3.083 20 30 GGEDRO COc1cccc(N2CC[C@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)c1 ZINC000271862221 1434855576 /nfs/dbraw/zinc/85/55/76/1434855576.db2.gz KSGXBLNDRVWCON-QFIPXVFZSA-N 1 0 390.531 3.400 20 30 GGEDRO COc1ccc2c(c1)OC[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC000271911513 1434858817 /nfs/dbraw/zinc/85/88/17/1434858817.db2.gz YAQROCDQFLRKDI-NRFANRHFSA-N 1 0 377.488 3.125 20 30 GGEDRO C[C@@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271923105 1434859506 /nfs/dbraw/zinc/85/95/06/1434859506.db2.gz FRAYGPZZGCOCAN-QGZVFWFLSA-N 1 0 383.467 3.259 20 30 GGEDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271926714 1434859727 /nfs/dbraw/zinc/85/97/27/1434859727.db2.gz GUGAAHSYKHGLNJ-HNNXBMFYSA-N 1 0 389.496 3.376 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271945661 1434861162 /nfs/dbraw/zinc/86/11/62/1434861162.db2.gz QASZHAZNICHEDP-MRXNPFEDSA-N 1 0 380.467 3.451 20 30 GGEDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271958939 1434861989 /nfs/dbraw/zinc/86/19/89/1434861989.db2.gz QSDPOMAMPHBFQB-HNNXBMFYSA-N 1 0 389.496 3.376 20 30 GGEDRO CC(C)C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271981053 1434863278 /nfs/dbraw/zinc/86/32/78/1434863278.db2.gz OWNBDTFJYYIMGM-FGZHOGPDSA-N 1 0 398.551 3.369 20 30 GGEDRO Cc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nn1CCC#N ZINC000272007140 1434865201 /nfs/dbraw/zinc/86/52/01/1434865201.db2.gz AAOPKIXMXOBPHL-UHFFFAOYSA-N 1 0 380.496 3.234 20 30 GGEDRO CC(C)(C#N)CC[NH+]1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000272071112 1434870288 /nfs/dbraw/zinc/87/02/88/1434870288.db2.gz ZDDVIZADOQVUNK-UHFFFAOYSA-N 1 0 399.564 3.333 20 30 GGEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272167926 1434875828 /nfs/dbraw/zinc/87/58/28/1434875828.db2.gz ZRWBIWQZJLZFTB-UHFFFAOYSA-N 1 0 388.438 3.233 20 30 GGEDRO COC(=O)[C@H](N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000272183090 1434876629 /nfs/dbraw/zinc/87/66/29/1434876629.db2.gz ITQOJLVGRACYHT-ZPMCFJSWSA-N 1 0 377.488 3.273 20 30 GGEDRO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000272309327 1434886153 /nfs/dbraw/zinc/88/61/53/1434886153.db2.gz FSASBCHCXXRXPI-QUCCMNQESA-N 1 0 377.529 3.157 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272363576 1434890668 /nfs/dbraw/zinc/89/06/68/1434890668.db2.gz FSVJRHNYSUTTAU-XLIONFOSSA-N 1 0 382.508 3.059 20 30 GGEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000272367432 1434890785 /nfs/dbraw/zinc/89/07/85/1434890785.db2.gz GJHYZAHSISLOJD-IBGZPJMESA-N 1 0 376.504 3.373 20 30 GGEDRO Cc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272451177 1434897181 /nfs/dbraw/zinc/89/71/81/1434897181.db2.gz PQFZBSQGKPNJIQ-HKUYNNGSSA-N 1 0 380.496 3.137 20 30 GGEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000272489334 1434899993 /nfs/dbraw/zinc/89/99/93/1434899993.db2.gz MYERYLLTXXHGLU-WBVHZDCISA-N 1 0 386.496 3.122 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272513766 1434902786 /nfs/dbraw/zinc/90/27/86/1434902786.db2.gz HZPIMRSUDMKVOX-QFIPXVFZSA-N 1 0 387.487 3.193 20 30 GGEDRO Cc1cc2ncc([C@@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c(C)n2n1 ZINC000272574411 1434909404 /nfs/dbraw/zinc/90/94/04/1434909404.db2.gz POMCIGGKMHRPIQ-QRWLVFNGSA-N 1 0 388.475 3.064 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc([S@@](C)=O)cc1 ZINC000272601038 1434913327 /nfs/dbraw/zinc/91/33/27/1434913327.db2.gz UGIGIMHYIQUIFT-LSJIGCQOSA-N 1 0 381.501 3.142 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc([S@@](C)=O)cc1 ZINC000272601042 1434913399 /nfs/dbraw/zinc/91/33/99/1434913399.db2.gz UGIGIMHYIQUIFT-ZHDJGUKESA-N 1 0 381.501 3.142 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc([S@](C)=O)cc1 ZINC000272601037 1434913420 /nfs/dbraw/zinc/91/34/20/1434913420.db2.gz UGIGIMHYIQUIFT-GVAPNCHASA-N 1 0 381.501 3.142 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(CCc2cccs2)CC1 ZINC000272687576 1434922670 /nfs/dbraw/zinc/92/26/70/1434922670.db2.gz PORLFBHWDNHSPZ-MRXNPFEDSA-N 1 0 384.505 3.431 20 30 GGEDRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272716244 1434925611 /nfs/dbraw/zinc/92/56/11/1434925611.db2.gz DAZAWHJTIRDQQA-BTYIYWSLSA-N 1 0 376.460 3.363 20 30 GGEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(CCCO)CC2)sc2c1CCCC2 ZINC000272872794 1434937887 /nfs/dbraw/zinc/93/78/87/1434937887.db2.gz VAULCONQYOVALQ-UHFFFAOYSA-N 1 0 375.538 3.312 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000272895015 1434939455 /nfs/dbraw/zinc/93/94/55/1434939455.db2.gz YOMAEIACGSLGIR-UHFFFAOYSA-N 1 0 393.480 3.104 20 30 GGEDRO C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1=CC[N@H+](C)CC1 ZINC000272904749 1434939982 /nfs/dbraw/zinc/93/99/82/1434939982.db2.gz CSOJFRPVMTWZAW-AWEZNQCLSA-N 1 0 381.505 3.377 20 30 GGEDRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000272930019 1434941862 /nfs/dbraw/zinc/94/18/62/1434941862.db2.gz ZIYXYUXPJFRYFP-PXNSSMCTSA-N 1 0 385.508 3.201 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000272944197 1434942871 /nfs/dbraw/zinc/94/28/71/1434942871.db2.gz LLILLWXXSTUUHL-UTCIHAQXSA-N 1 0 389.565 3.394 20 30 GGEDRO Cn1cc(C[NH2+]C2CCN(c3nccs3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272993267 1434948005 /nfs/dbraw/zinc/94/80/05/1434948005.db2.gz WMHFFPQZCCGLOE-UHFFFAOYSA-N 1 0 378.505 3.174 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCCCCC(=O)OCc2ccccc2)cc1OC ZINC000273015465 1434950135 /nfs/dbraw/zinc/95/01/35/1434950135.db2.gz WHDJGGNSCLLMBV-UHFFFAOYSA-N 1 0 385.464 3.344 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3cc(C)n[nH]3)CC2)c(OC)c1 ZINC000273016921 1434950504 /nfs/dbraw/zinc/95/05/04/1434950504.db2.gz RMNZQBCMFRJDRD-IBGZPJMESA-N 1 0 385.508 3.075 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000273024146 1434951588 /nfs/dbraw/zinc/95/15/88/1434951588.db2.gz UFQJXZSSBNFCJC-QGZVFWFLSA-N 1 0 382.508 3.273 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000273044789 1434954666 /nfs/dbraw/zinc/95/46/66/1434954666.db2.gz BDOLWCHSNPEJLD-UHFFFAOYSA-N 1 0 379.460 3.432 20 30 GGEDRO N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273059570 1434956170 /nfs/dbraw/zinc/95/61/70/1434956170.db2.gz CWIZNOSUYMLQPI-INIZCTEOSA-N 1 0 376.382 3.151 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)C[C@H](C)c2nccs2)c(OC)c1 ZINC000273097824 1434960396 /nfs/dbraw/zinc/96/03/96/1434960396.db2.gz VAABYDMRWGQXPW-DOTOQJQBSA-N 1 0 376.522 3.355 20 30 GGEDRO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000273097433 1434960637 /nfs/dbraw/zinc/96/06/37/1434960637.db2.gz PARYRQLFHMDFKZ-GOSISDBHSA-N 1 0 393.487 3.238 20 30 GGEDRO CC(=O)c1ccc(C#N)c(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000273169075 1434968552 /nfs/dbraw/zinc/96/85/52/1434968552.db2.gz DNJXBPDFQXKQJV-OAQYLSRUSA-N 1 0 390.487 3.070 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)c1 ZINC000273197993 1434971681 /nfs/dbraw/zinc/97/16/81/1434971681.db2.gz DTVPYWUUXCFGOH-JOCHJYFZSA-N 1 0 377.488 3.202 20 30 GGEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000273279660 1434977594 /nfs/dbraw/zinc/97/75/94/1434977594.db2.gz NSJZPHMEDBSXSI-GJZGRUSLSA-N 1 0 380.414 3.443 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](CCOC)c2ccco2)c(OC)c1 ZINC000273322654 1434980846 /nfs/dbraw/zinc/98/08/46/1434980846.db2.gz XFIUBBVHDJPOPP-QZTJIDSGSA-N 1 0 375.465 3.124 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273352449 1434982505 /nfs/dbraw/zinc/98/25/05/1434982505.db2.gz CRTFBYDACPOXBT-UHFFFAOYSA-N 1 0 385.399 3.201 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273621695 1435000385 /nfs/dbraw/zinc/00/03/85/1435000385.db2.gz REVUFASAFFWUHU-PMACEKPBSA-N 1 0 375.488 3.338 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(-c2noc(CSCC#N)n2)cc1OC ZINC000273725874 1435008303 /nfs/dbraw/zinc/00/83/03/1435008303.db2.gz KFKKLZFUBLANLI-UHFFFAOYSA-N 1 0 376.482 3.223 20 30 GGEDRO Cc1cc(C#N)ccc1-c1nc(-c2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)no1 ZINC000273888387 1435025506 /nfs/dbraw/zinc/02/55/06/1435025506.db2.gz OGAQSYWVXAAYFA-IBGZPJMESA-N 1 0 387.443 3.033 20 30 GGEDRO N#Cc1ccc(CN2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000274170466 1435048387 /nfs/dbraw/zinc/04/83/87/1435048387.db2.gz BIBOYBABJJAQCW-UHFFFAOYSA-N 1 0 388.515 3.112 20 30 GGEDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000274394681 1435067671 /nfs/dbraw/zinc/06/76/71/1435067671.db2.gz LMUMKRRDXKFREX-MRXNPFEDSA-N 1 0 383.496 3.467 20 30 GGEDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1OCCCC#N ZINC000274397429 1435067869 /nfs/dbraw/zinc/06/78/69/1435067869.db2.gz MDEOJHXOFCZSTJ-OAHLLOKOSA-N 1 0 377.485 3.381 20 30 GGEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OCC)c1 ZINC000274850634 1435097866 /nfs/dbraw/zinc/09/78/66/1435097866.db2.gz BBYMILDDIWKHQQ-INIZCTEOSA-N 1 0 389.448 3.071 20 30 GGEDRO Cc1oc(NC(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274881112 1435100663 /nfs/dbraw/zinc/10/06/63/1435100663.db2.gz ZRVCNWLYYCXPNT-FOIQADDNSA-N 1 0 380.492 3.207 20 30 GGEDRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2ccccc2SCCC#N)cc1 ZINC000275612535 1435152909 /nfs/dbraw/zinc/15/29/09/1435152909.db2.gz HBFPQLLDPGGCOC-UHFFFAOYSA-N 1 0 382.489 3.331 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000275780802 1435168442 /nfs/dbraw/zinc/16/84/42/1435168442.db2.gz XIKGICYHDIBSCA-UHFFFAOYSA-N 1 0 376.460 3.164 20 30 GGEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3ccc(C#N)cc3)c2)CC1 ZINC000275896678 1435177998 /nfs/dbraw/zinc/17/79/98/1435177998.db2.gz OANCTDVBFUHLIJ-UHFFFAOYSA-N 1 0 390.487 3.410 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(Cl)c1 ZINC000275942205 1435181533 /nfs/dbraw/zinc/18/15/33/1435181533.db2.gz XMLPZMYCAGWGJO-UHFFFAOYSA-N 1 0 396.878 3.427 20 30 GGEDRO C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000276126945 1435192664 /nfs/dbraw/zinc/19/26/64/1435192664.db2.gz BXGMPLRDVADGDP-NRFANRHFSA-N 1 0 378.488 3.014 20 30 GGEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1 ZINC000276255135 1435200394 /nfs/dbraw/zinc/20/03/94/1435200394.db2.gz VXKRMGROEWCROI-UHFFFAOYSA-N 1 0 375.473 3.322 20 30 GGEDRO C=CCC[N@@H+](C)CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000276374196 1435207830 /nfs/dbraw/zinc/20/78/30/1435207830.db2.gz HFHDRLFSLGBJAO-UHFFFAOYSA-N 1 0 397.475 3.403 20 30 GGEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccco1 ZINC000276402365 1435209567 /nfs/dbraw/zinc/20/95/67/1435209567.db2.gz DIGUHMMXHHYIBC-LJQANCHMSA-N 1 0 390.505 3.098 20 30 GGEDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)c1ccncc1 ZINC000276476689 1435213472 /nfs/dbraw/zinc/21/34/72/1435213472.db2.gz NNNVFFYGXIRBNE-QFIPXVFZSA-N 1 0 397.475 3.341 20 30 GGEDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000276783947 1435232250 /nfs/dbraw/zinc/23/22/50/1435232250.db2.gz XIFMJEXDASPDOI-UHFFFAOYSA-N 1 0 389.443 3.074 20 30 GGEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000277058372 1435257654 /nfs/dbraw/zinc/25/76/54/1435257654.db2.gz MUIWHRGXCPFNDT-AZUAARDMSA-N 1 0 387.842 3.087 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277184609 1435275331 /nfs/dbraw/zinc/27/53/31/1435275331.db2.gz LMFMUHVIKHHXSQ-SFHVURJKSA-N 1 0 378.432 3.211 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000277204578 1435278240 /nfs/dbraw/zinc/27/82/40/1435278240.db2.gz JUNLGZIVWJORNC-HTAPYJJXSA-N 1 0 385.471 3.196 20 30 GGEDRO COc1cc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)ccc1C#N ZINC000277499488 1435308598 /nfs/dbraw/zinc/30/85/98/1435308598.db2.gz DNMKUZOVYDTEDQ-UHFFFAOYSA-N 1 0 397.500 3.133 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1cccc(C)c1 ZINC000278167144 1435365739 /nfs/dbraw/zinc/36/57/39/1435365739.db2.gz DPEUYURRRXNJCO-OAHLLOKOSA-O 1 0 385.509 3.396 20 30 GGEDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000278197003 1435368479 /nfs/dbraw/zinc/36/84/79/1435368479.db2.gz GBHJKRRXFDAWQO-JOCHJYFZSA-N 1 0 376.504 3.187 20 30 GGEDRO C#CC[NH+]1CCC(c2nc(-c3cc(Cl)ccc3O[C@@H]3CCOC3)no2)CC1 ZINC000278199194 1435368767 /nfs/dbraw/zinc/36/87/67/1435368767.db2.gz VNDSKJZKPOVOAO-MRXNPFEDSA-N 1 0 387.867 3.370 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000278203433 1435369241 /nfs/dbraw/zinc/36/92/41/1435369241.db2.gz CSFWEGKBZUGUPG-UHFFFAOYSA-N 1 0 394.437 3.173 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccc(C)cc1 ZINC000278234636 1435372132 /nfs/dbraw/zinc/37/21/32/1435372132.db2.gz KQUMYCUXRLRIRQ-HNNXBMFYSA-O 1 0 385.509 3.396 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1cccc(C)c1 ZINC000278301767 1435377552 /nfs/dbraw/zinc/37/75/52/1435377552.db2.gz QTMJKQSOTDPBQZ-UHFFFAOYSA-O 1 0 385.509 3.398 20 30 GGEDRO CC(C)(C#N)CC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000278313036 1435378775 /nfs/dbraw/zinc/37/87/75/1435378775.db2.gz UKTSMTQPXTZASH-UHFFFAOYSA-N 1 0 377.492 3.282 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278343865 1435382093 /nfs/dbraw/zinc/38/20/93/1435382093.db2.gz PQAAFGBDXYEGFJ-UHFFFAOYSA-N 1 0 383.414 3.063 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1)C1CC1 ZINC000278384605 1435385945 /nfs/dbraw/zinc/38/59/45/1435385945.db2.gz UPXPDVIERPULDB-SFHVURJKSA-N 1 0 395.425 3.109 20 30 GGEDRO Cc1cc(S(=O)(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccc1C#N ZINC000278497370 1435395152 /nfs/dbraw/zinc/39/51/52/1435395152.db2.gz MXRFBTVPTXAPNK-UHFFFAOYSA-N 1 0 398.532 3.198 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCOc2ncccc2Cl)c(-c2ccncc2)n1 ZINC000278548371 1435399134 /nfs/dbraw/zinc/39/91/34/1435399134.db2.gz BBKAFZCMRRLCCO-UHFFFAOYSA-N 1 0 382.855 3.076 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000278567309 1435400962 /nfs/dbraw/zinc/40/09/62/1435400962.db2.gz BPAAWFORNSBBLM-UHFFFAOYSA-N 1 0 390.447 3.097 20 30 GGEDRO N#CCCn1cc(CNC2CC[NH+](C3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000278580043 1435402208 /nfs/dbraw/zinc/40/22/08/1435402208.db2.gz FSJZRLVSICNGTD-UHFFFAOYSA-N 1 0 378.524 3.355 20 30 GGEDRO N#CCCn1cc(C[NH2+]Cc2cccnc2OCC(F)F)c(-c2ccncc2)n1 ZINC000278595325 1435403443 /nfs/dbraw/zinc/40/34/43/1435403443.db2.gz HLHUALDYAMUJJU-UHFFFAOYSA-N 1 0 398.417 3.187 20 30 GGEDRO CCN(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C(=O)OC(C)(C)C ZINC000278592948 1435403450 /nfs/dbraw/zinc/40/34/50/1435403450.db2.gz HCTKVSGHRIFJAN-UHFFFAOYSA-N 1 0 398.511 3.205 20 30 GGEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccc(F)c1 ZINC000278616769 1435406025 /nfs/dbraw/zinc/40/60/25/1435406025.db2.gz JJZCDVJMZVJOAT-OAQYLSRUSA-N 1 0 392.482 3.390 20 30 GGEDRO Cc1nc2ccccc2n1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278626165 1435406915 /nfs/dbraw/zinc/40/69/15/1435406915.db2.gz KEKQWHXPSDZXCA-UHFFFAOYSA-N 1 0 385.475 3.307 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(-c2ccncc2)n1 ZINC000278637528 1435408523 /nfs/dbraw/zinc/40/85/23/1435408523.db2.gz LEDKYQXNQWPJAI-UYAOXDASSA-N 1 0 383.521 3.003 20 30 GGEDRO COc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000278637314 1435408569 /nfs/dbraw/zinc/40/85/69/1435408569.db2.gz LBCHLTBRFJRYLA-UHFFFAOYSA-N 1 0 391.475 3.208 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c(-c2ccncc2)n1 ZINC000278637358 1435408645 /nfs/dbraw/zinc/40/86/45/1435408645.db2.gz LBKPZAJLZVAPBL-LJQANCHMSA-N 1 0 381.867 3.335 20 30 GGEDRO C[C@@H]1Cc2ccccc2N1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278697231 1435414956 /nfs/dbraw/zinc/41/49/56/1435414956.db2.gz QMDHKDTXILRPND-GOSISDBHSA-N 1 0 386.503 3.400 20 30 GGEDRO COc1ccc(COCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278721984 1435417367 /nfs/dbraw/zinc/41/73/67/1435417367.db2.gz SWCWHXDJUNYXRS-UHFFFAOYSA-N 1 0 391.475 3.174 20 30 GGEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc(F)cc1 ZINC000278733552 1435418562 /nfs/dbraw/zinc/41/85/62/1435418562.db2.gz URQOYJWEZGVNGH-OAQYLSRUSA-N 1 0 392.482 3.390 20 30 GGEDRO COCCOc1ccccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278740397 1435418878 /nfs/dbraw/zinc/41/88/78/1435418878.db2.gz VKGBSKQMMTXLGS-UHFFFAOYSA-N 1 0 391.475 3.174 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)c(-c2ccncc2)n1 ZINC000278763932 1435421484 /nfs/dbraw/zinc/42/14/84/1435421484.db2.gz XOTNYEMYFNBEST-LJQANCHMSA-N 1 0 381.480 3.024 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@H](CCO)c2ccccc2)c(-c2ccncc2)n1 ZINC000278772158 1435422027 /nfs/dbraw/zinc/42/20/27/1435422027.db2.gz YLIRIOXNBRDGDV-FQEVSTJZSA-N 1 0 375.476 3.115 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@@H](CCO)c2ccccc2)c(-c2ccncc2)n1 ZINC000278774132 1435422275 /nfs/dbraw/zinc/42/22/75/1435422275.db2.gz YLIRIOXNBRDGDV-HXUWFJFHSA-N 1 0 375.476 3.115 20 30 GGEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N1CCc2ccccc21 ZINC000278784913 1435423423 /nfs/dbraw/zinc/42/34/23/1435423423.db2.gz ZPYIHQLQRBMPBE-GOSISDBHSA-N 1 0 386.503 3.400 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000278940191 1435442474 /nfs/dbraw/zinc/44/24/74/1435442474.db2.gz XMQIBOBUMJOWQC-CYBMUJFWSA-N 1 0 396.413 3.294 20 30 GGEDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000278963521 1435446168 /nfs/dbraw/zinc/44/61/68/1435446168.db2.gz FDBBIKAQVJXAIF-UHFFFAOYSA-N 1 0 390.447 3.319 20 30 GGEDRO CCn1nccc1C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000279076043 1435458006 /nfs/dbraw/zinc/45/80/06/1435458006.db2.gz NHGKAGAYRJUCIY-NRFANRHFSA-N 1 0 377.492 3.150 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc([C@@H]2CCCO2)nn1C)C(C)C ZINC000279128550 1435463021 /nfs/dbraw/zinc/46/30/21/1435463021.db2.gz YPLWRYMVZIKJNP-ROUUACIJSA-N 1 0 375.517 3.092 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000279198610 1435470563 /nfs/dbraw/zinc/47/05/63/1435470563.db2.gz FULGUGSYGZUALM-OAQYLSRUSA-N 1 0 384.451 3.118 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)c1C#N ZINC000279261149 1435478604 /nfs/dbraw/zinc/47/86/04/1435478604.db2.gz MEWSNXFIOGEFSB-OXJNMPFZSA-N 1 0 398.482 3.184 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)c1C#N ZINC000279287512 1435482038 /nfs/dbraw/zinc/48/20/38/1435482038.db2.gz PCANTRRFUNMMBH-UZLBHIALSA-N 1 0 398.482 3.184 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)c1C#N ZINC000279287508 1435482051 /nfs/dbraw/zinc/48/20/51/1435482051.db2.gz PCANTRRFUNMMBH-OXJNMPFZSA-N 1 0 398.482 3.184 20 30 GGEDRO COC(=O)c1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000279325351 1435486688 /nfs/dbraw/zinc/48/66/88/1435486688.db2.gz CCJDCSFZWUWXIS-UHFFFAOYSA-N 1 0 389.459 3.277 20 30 GGEDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000279343206 1435489018 /nfs/dbraw/zinc/48/90/18/1435489018.db2.gz FIWUHFKLUKJFJB-UHFFFAOYSA-N 1 0 381.524 3.006 20 30 GGEDRO N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)on2)c1 ZINC000279364018 1435491191 /nfs/dbraw/zinc/49/11/91/1435491191.db2.gz FCIHMNWGJWJDKR-OYRHEFFESA-N 1 0 398.466 3.417 20 30 GGEDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279370722 1435491997 /nfs/dbraw/zinc/49/19/97/1435491997.db2.gz IXFGGOYMGFAXGZ-INIZCTEOSA-N 1 0 398.511 3.204 20 30 GGEDRO N#CCCn1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(-c2ccncc2)n1 ZINC000279373610 1435492484 /nfs/dbraw/zinc/49/24/84/1435492484.db2.gz JITYIMBNLCAZBD-OAQYLSRUSA-N 1 0 378.524 3.309 20 30 GGEDRO C=C[C@](C)(O)CC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279413421 1435496521 /nfs/dbraw/zinc/49/65/21/1435496521.db2.gz KRBGWTCZKWWMIK-HKUYNNGSSA-N 1 0 384.442 3.227 20 30 GGEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000279423634 1435497586 /nfs/dbraw/zinc/49/75/86/1435497586.db2.gz CZKQMYFVOCIHNU-HSZRJFAPSA-N 1 0 386.499 3.269 20 30 GGEDRO CN(CC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1)C(=O)OC(C)(C)C ZINC000279478320 1435503600 /nfs/dbraw/zinc/50/36/00/1435503600.db2.gz WMXLBVBTMYTPNR-UHFFFAOYSA-N 1 0 398.511 3.157 20 30 GGEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](CCO)c1ccccc1 ZINC000279503882 1435506818 /nfs/dbraw/zinc/50/68/18/1435506818.db2.gz ZQGONVWAPYSPJH-OAQYLSRUSA-N 1 0 375.476 3.414 20 30 GGEDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000279728235 1435535599 /nfs/dbraw/zinc/53/55/99/1435535599.db2.gz NHKOCYJBIBIMTL-ICSRJNTNSA-N 1 0 383.515 3.266 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCCC[C@H]2C[C@H](C)O)c1C#N ZINC000279742123 1435537101 /nfs/dbraw/zinc/53/71/01/1435537101.db2.gz KQCZIGCPLHTVFZ-YJBOKZPZSA-N 1 0 398.507 3.182 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000279742114 1435537220 /nfs/dbraw/zinc/53/72/20/1435537220.db2.gz KQCZIGCPLHTVFZ-CRAIPNDOSA-N 1 0 398.507 3.182 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000279773961 1435541233 /nfs/dbraw/zinc/54/12/33/1435541233.db2.gz BHRPJSISABRUIV-UHFFFAOYSA-N 1 0 385.430 3.120 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000279781268 1435542252 /nfs/dbraw/zinc/54/22/52/1435542252.db2.gz FOHHEUBZFLNSQL-IRLDBZIGSA-N 1 0 391.515 3.101 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000279781265 1435542282 /nfs/dbraw/zinc/54/22/82/1435542282.db2.gz FOHHEUBZFLNSQL-IFMALSPDSA-N 1 0 391.515 3.101 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000279783300 1435542624 /nfs/dbraw/zinc/54/26/24/1435542624.db2.gz LMXQKJZCESNVQD-KDURUIRLSA-N 1 0 382.552 3.118 20 30 GGEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000279783303 1435542695 /nfs/dbraw/zinc/54/26/95/1435542695.db2.gz LMXQKJZCESNVQD-OALUTQOASA-N 1 0 382.552 3.118 20 30 GGEDRO N#Cc1cccc(-c2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)on2)c1 ZINC000279785758 1435542896 /nfs/dbraw/zinc/54/28/96/1435542896.db2.gz RHSZIYMMPQZPPL-UHFFFAOYSA-N 1 0 387.443 3.255 20 30 GGEDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000279924999 1435564263 /nfs/dbraw/zinc/56/42/63/1435564263.db2.gz XQSNMQVVIGEMTB-QFIPXVFZSA-N 1 0 377.488 3.485 20 30 GGEDRO CN(C)[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000279988665 1435573037 /nfs/dbraw/zinc/57/30/37/1435573037.db2.gz OQVKFAYLBBYULT-FXAWDEMLSA-N 1 0 380.879 3.313 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000280032713 1435580362 /nfs/dbraw/zinc/58/03/62/1435580362.db2.gz GHMNIPSAYJQTMI-UHFFFAOYSA-N 1 0 391.515 3.374 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@](C)(O)CC3)sc2C1 ZINC000280086648 1435589685 /nfs/dbraw/zinc/58/96/85/1435589685.db2.gz OFAIAVIBTXDTTN-JLTOFOAXSA-N 1 0 375.538 3.310 20 30 GGEDRO CNC(=O)COc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000280118476 1435595122 /nfs/dbraw/zinc/59/51/22/1435595122.db2.gz BMBBYZCBVOOZEO-UHFFFAOYSA-N 1 0 392.503 3.068 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000280171913 1435603375 /nfs/dbraw/zinc/60/33/75/1435603375.db2.gz SNYSYFUTJZSEGB-SXSPYAJSSA-N 1 0 386.499 3.410 20 30 GGEDRO Cc1nc(C#N)c(N2CCC(c3nc(-c4ccc(C[NH+](C)C)cc4)no3)CC2)o1 ZINC000280278586 1435624735 /nfs/dbraw/zinc/62/47/35/1435624735.db2.gz LMTJHXXZRGJRBE-UHFFFAOYSA-N 1 0 392.463 3.350 20 30 GGEDRO C[NH+](C)CC1CCN(c2ccccc2NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000280315810 1435634071 /nfs/dbraw/zinc/63/40/71/1435634071.db2.gz OUHWNXDJAWATPC-UHFFFAOYSA-N 1 0 398.532 3.137 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355859 1435643077 /nfs/dbraw/zinc/64/30/77/1435643077.db2.gz IQGNLQFGSDQXFV-CVDCTZTESA-N 1 0 386.499 3.364 20 30 GGEDRO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000280375694 1435647090 /nfs/dbraw/zinc/64/70/90/1435647090.db2.gz JQNABKKLKPHDER-LJQANCHMSA-N 1 0 376.460 3.210 20 30 GGEDRO C[NH+](C)CCCOc1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000280375692 1435647309 /nfs/dbraw/zinc/64/73/09/1435647309.db2.gz JQNABKKLKPHDER-IBGZPJMESA-N 1 0 376.460 3.210 20 30 GGEDRO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC2(CCOCC2)O1 ZINC000280382838 1435649532 /nfs/dbraw/zinc/64/95/32/1435649532.db2.gz FPCWZVMASDLLJZ-SFHVURJKSA-N 1 0 380.492 3.234 20 30 GGEDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](C)O2 ZINC000280462512 1435664925 /nfs/dbraw/zinc/66/49/25/1435664925.db2.gz MJQLJOQLRGGZGK-HMFYCAOWSA-N 1 0 380.492 3.232 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000280472128 1435666562 /nfs/dbraw/zinc/66/65/62/1435666562.db2.gz CRZXEQJELKDMDU-HXUWFJFHSA-N 1 0 390.487 3.190 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000280554725 1435678796 /nfs/dbraw/zinc/67/87/96/1435678796.db2.gz IZDGJESWLOBXPF-GOSISDBHSA-N 1 0 376.451 3.211 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000280818186 1435725594 /nfs/dbraw/zinc/72/55/94/1435725594.db2.gz AZGBFRYGSAJJFP-BEFAXECRSA-N 1 0 381.467 3.019 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC000280827052 1435727146 /nfs/dbraw/zinc/72/71/46/1435727146.db2.gz OPRFUXBSTNUYBL-IBGZPJMESA-N 1 0 387.524 3.327 20 30 GGEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000280854729 1435731090 /nfs/dbraw/zinc/73/10/90/1435731090.db2.gz AZGBFRYGSAJJFP-DNVCBOLYSA-N 1 0 381.467 3.019 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)cc1 ZINC000280857585 1435731309 /nfs/dbraw/zinc/73/13/09/1435731309.db2.gz CACPMUMWSCIFAL-GJZGRUSLSA-N 1 0 388.899 3.027 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000280951529 1435746678 /nfs/dbraw/zinc/74/66/78/1435746678.db2.gz XKQMZANWSKJVRL-QEORTHHSSA-N 1 0 389.464 3.323 20 30 GGEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000280959027 1435747863 /nfs/dbraw/zinc/74/78/63/1435747863.db2.gz YCNHYWIORLKTMI-UHFFFAOYSA-N 1 0 393.535 3.121 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccc1Cl ZINC000280998520 1435753957 /nfs/dbraw/zinc/75/39/57/1435753957.db2.gz NQOLEDWLEYGAID-KRWDZBQOSA-N 1 0 388.899 3.063 20 30 GGEDRO C[NH+](C)CCOc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1Cl ZINC000281015953 1435756604 /nfs/dbraw/zinc/75/66/04/1435756604.db2.gz VLCRALHBFPOVJL-QGZVFWFLSA-N 1 0 396.878 3.473 20 30 GGEDRO N#Cc1cccc(-n2ccc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)n2)c1 ZINC000281233062 1435799987 /nfs/dbraw/zinc/79/99/87/1435799987.db2.gz PDTIWLYSUQIJTD-UHFFFAOYSA-N 1 0 399.498 3.181 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000281286566 1435802339 /nfs/dbraw/zinc/80/23/39/1435802339.db2.gz OUCRBLNTENQLKA-QUCCMNQESA-N 1 0 391.519 3.471 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000281286559 1435802360 /nfs/dbraw/zinc/80/23/60/1435802360.db2.gz OUCRBLNTENQLKA-AZUAARDMSA-N 1 0 391.519 3.471 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000281292540 1435802692 /nfs/dbraw/zinc/80/26/92/1435802692.db2.gz HKABHBFBXDTBRG-UHFFFAOYSA-N 1 0 384.524 3.450 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000281352779 1435805124 /nfs/dbraw/zinc/80/51/24/1435805124.db2.gz WWVYTWSBWKGRDO-RBBKRZOGSA-N 1 0 391.515 3.101 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000281397984 1435807206 /nfs/dbraw/zinc/80/72/06/1435807206.db2.gz ORQAXUNTQDRKCX-ZDUSSCGKSA-N 1 0 380.514 3.087 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(c4nccs4)CC3)CC2)cc1 ZINC000281471044 1435810207 /nfs/dbraw/zinc/81/02/07/1435810207.db2.gz FFXBGQQSLOKOQJ-UHFFFAOYSA-N 1 0 381.549 3.238 20 30 GGEDRO C[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281504665 1435811684 /nfs/dbraw/zinc/81/16/84/1435811684.db2.gz WYPXKOUJYBWMMH-SJLPKXTDSA-N 1 0 377.492 3.127 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000281511284 1435811723 /nfs/dbraw/zinc/81/17/23/1435811723.db2.gz KEGCNBOLZRGDFJ-LPHOPBHVSA-N 1 0 381.467 3.019 20 30 GGEDRO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000281600145 1435815112 /nfs/dbraw/zinc/81/51/12/1435815112.db2.gz OJVFESMRZOURHP-JOCHJYFZSA-N 1 0 378.520 3.355 20 30 GGEDRO C[N@@H+]1CCN(CCNC(=O)c2ccccc2Oc2ccccc2C#N)CC1(C)C ZINC000281731514 1435819898 /nfs/dbraw/zinc/81/98/98/1435819898.db2.gz JILHOZNARMPVHE-UHFFFAOYSA-N 1 0 392.503 3.106 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC23CCOCC3)c(OC)c1 ZINC000281952688 1435828303 /nfs/dbraw/zinc/82/83/03/1435828303.db2.gz FPXASAHDERKEEU-WIYYLYMNSA-N 1 0 375.509 3.102 20 30 GGEDRO N#CC1(CCC[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)CCOCC1 ZINC000281989840 1435829921 /nfs/dbraw/zinc/82/99/21/1435829921.db2.gz MQWAUTJXYKKSFG-UHFFFAOYSA-N 1 0 383.536 3.254 20 30 GGEDRO N#Cc1cccc(-n2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)n2)c1 ZINC000282012481 1435830934 /nfs/dbraw/zinc/83/09/34/1435830934.db2.gz XACJLGFWMSKSAB-HXUWFJFHSA-N 1 0 383.455 3.369 20 30 GGEDRO CCCCCCCS(=O)(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000282077199 1435833636 /nfs/dbraw/zinc/83/36/36/1435833636.db2.gz YVVDKNVREXPSMO-UHFFFAOYSA-N 1 0 382.570 3.033 20 30 GGEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000282099206 1435834498 /nfs/dbraw/zinc/83/44/98/1435834498.db2.gz VYHIETSVSPRZKQ-SFHVURJKSA-N 1 0 375.900 3.478 20 30 GGEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000282157566 1435836760 /nfs/dbraw/zinc/83/67/60/1435836760.db2.gz CQCKWUDEWHBCTM-GOSISDBHSA-N 1 0 399.539 3.220 20 30 GGEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000282166626 1435837027 /nfs/dbraw/zinc/83/70/27/1435837027.db2.gz DHAWTAXRJSBFEN-INIZCTEOSA-N 1 0 386.931 3.492 20 30 GGEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000282213346 1435838663 /nfs/dbraw/zinc/83/86/63/1435838663.db2.gz IBGFZZNRVYZXDJ-LJQANCHMSA-N 1 0 380.540 3.474 20 30 GGEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000282216764 1435838767 /nfs/dbraw/zinc/83/87/67/1435838767.db2.gz IGJVEKCLEAIEAD-FQEVSTJZSA-N 1 0 394.567 3.398 20 30 GGEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000282216768 1435838806 /nfs/dbraw/zinc/83/88/06/1435838806.db2.gz IGJVEKCLEAIEAD-HXUWFJFHSA-N 1 0 394.567 3.398 20 30 GGEDRO C=CCn1c(COc2ccccc2OCC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282245618 1435840033 /nfs/dbraw/zinc/84/00/33/1435840033.db2.gz KKTXYECMXMSYPV-UHFFFAOYSA-N 1 0 399.539 3.409 20 30 GGEDRO C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000282265477 1435840796 /nfs/dbraw/zinc/84/07/96/1435840796.db2.gz LSZJAKHAPILPTR-LJQANCHMSA-N 1 0 394.523 3.083 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc(OC)cc2OC)CC2CC2)CC1 ZINC000282296615 1435842073 /nfs/dbraw/zinc/84/20/73/1435842073.db2.gz WVDUNNHQMDKKBN-UHFFFAOYSA-N 1 0 387.524 3.276 20 30 GGEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000282386889 1435845396 /nfs/dbraw/zinc/84/53/96/1435845396.db2.gz VOEMWJCEPCMUJQ-GOSISDBHSA-N 1 0 397.523 3.116 20 30 GGEDRO CC(=O)NCCN(Cc1ccsc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000282424472 1435846646 /nfs/dbraw/zinc/84/66/46/1435846646.db2.gz GYSWPAOEQUEJMY-UHFFFAOYSA-N 1 0 393.516 3.159 20 30 GGEDRO COc1cc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)ccc1C#N ZINC000282441455 1435847380 /nfs/dbraw/zinc/84/73/80/1435847380.db2.gz UOIQWAFUNLFNOI-UHFFFAOYSA-N 1 0 383.517 3.199 20 30 GGEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000282469191 1435848291 /nfs/dbraw/zinc/84/82/91/1435848291.db2.gz BOESJTNIDMMWIB-KRWDZBQOSA-N 1 0 387.503 3.350 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000282475260 1435848600 /nfs/dbraw/zinc/84/86/00/1435848600.db2.gz DVYXVCXMUOPVBX-NRFANRHFSA-N 1 0 399.498 3.338 20 30 GGEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000282620773 1435853958 /nfs/dbraw/zinc/85/39/58/1435853958.db2.gz OFKCCUWYOMAFBU-IBGZPJMESA-N 1 0 376.508 3.315 20 30 GGEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000282663260 1435855639 /nfs/dbraw/zinc/85/56/39/1435855639.db2.gz RIEVMNGMLKLBFL-UHFFFAOYSA-N 1 0 393.491 3.178 20 30 GGEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000282705608 1435857136 /nfs/dbraw/zinc/85/71/36/1435857136.db2.gz AGMBXELLZUOOFT-UHFFFAOYSA-N 1 0 381.524 3.103 20 30 GGEDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000282905580 1435865468 /nfs/dbraw/zinc/86/54/68/1435865468.db2.gz RNHXYSHRUNBTPC-UHFFFAOYSA-N 1 0 389.443 3.072 20 30 GGEDRO Cc1csc(CCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000282920402 1435866189 /nfs/dbraw/zinc/86/61/89/1435866189.db2.gz ISATVAIINSIJEO-UHFFFAOYSA-N 1 0 382.533 3.380 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)ccc1OC ZINC000282948883 1435867230 /nfs/dbraw/zinc/86/72/30/1435867230.db2.gz XRLLLJLKNPSOGI-WIYYLYMNSA-N 1 0 375.509 3.307 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)ccc1OC ZINC000282948874 1435867234 /nfs/dbraw/zinc/86/72/34/1435867234.db2.gz XRLLLJLKNPSOGI-NQIIRXRSSA-N 1 0 375.509 3.307 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000283042355 1435871803 /nfs/dbraw/zinc/87/18/03/1435871803.db2.gz QEZVWRXASDUMBA-UHFFFAOYSA-N 1 0 383.374 3.156 20 30 GGEDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000283319781 1435884234 /nfs/dbraw/zinc/88/42/34/1435884234.db2.gz ZOXIXXATSDFJDL-KFWWJZLASA-N 1 0 377.510 3.197 20 30 GGEDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000283319782 1435884273 /nfs/dbraw/zinc/88/42/73/1435884273.db2.gz ZOXIXXATSDFJDL-RBSFLKMASA-N 1 0 377.510 3.197 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283341662 1435885157 /nfs/dbraw/zinc/88/51/57/1435885157.db2.gz AWPWDAMGCNRKQK-HXUWFJFHSA-N 1 0 388.515 3.233 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283341656 1435885205 /nfs/dbraw/zinc/88/52/05/1435885205.db2.gz AWPWDAMGCNRKQK-FQEVSTJZSA-N 1 0 388.515 3.233 20 30 GGEDRO CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000283400015 1435887976 /nfs/dbraw/zinc/88/79/76/1435887976.db2.gz HBMIQMJDUMHEBV-UHFFFAOYSA-N 1 0 394.523 3.203 20 30 GGEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283397897 1435887987 /nfs/dbraw/zinc/88/79/87/1435887987.db2.gz WJGZHXLWKHIKOV-UHFFFAOYSA-N 1 0 397.523 3.259 20 30 GGEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000283398118 1435888007 /nfs/dbraw/zinc/88/80/07/1435888007.db2.gz WKZTUDBVYCWYAU-AZUAARDMSA-N 1 0 378.524 3.369 20 30 GGEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000283548545 1435894854 /nfs/dbraw/zinc/89/48/54/1435894854.db2.gz HZBPPCMGTXNLIM-UHFFFAOYSA-N 1 0 397.523 3.116 20 30 GGEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000283581604 1435896594 /nfs/dbraw/zinc/89/65/94/1435896594.db2.gz KJLNLRXJECNKQY-FXAWDEMLSA-N 1 0 378.524 3.369 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000283633725 1435898730 /nfs/dbraw/zinc/89/87/30/1435898730.db2.gz YFIGLCVUOYKRQO-CQSZACIVSA-N 1 0 397.441 3.039 20 30 GGEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000283692474 1435905311 /nfs/dbraw/zinc/90/53/11/1435905311.db2.gz UBELLNLJDOVXSZ-UHFFFAOYSA-N 1 0 381.524 3.246 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000283857847 1435938203 /nfs/dbraw/zinc/93/82/03/1435938203.db2.gz BISOUOFYKKOJBI-FQEVSTJZSA-N 1 0 385.552 3.015 20 30 GGEDRO COc1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc(C)c2)c(OC)c1 ZINC000283859602 1435938530 /nfs/dbraw/zinc/93/85/30/1435938530.db2.gz CFRZYLNFAGAVKH-UHFFFAOYSA-O 1 0 385.509 3.381 20 30 GGEDRO C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000283870119 1435940682 /nfs/dbraw/zinc/94/06/82/1435940682.db2.gz BYDLKOHLLGBXIK-UHFFFAOYSA-N 1 0 385.552 3.015 20 30 GGEDRO CC1(NC(=S)C(C(=O)c2ccc(N3CCCC3=O)cc2)[n+]2ccccc2)CC1 ZINC000283868423 1435940959 /nfs/dbraw/zinc/94/09/59/1435940959.db2.gz CKLFPHXKWMEWEG-UHFFFAOYSA-O 1 0 394.520 3.182 20 30 GGEDRO CN(C)c1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC2(C)CC2)cc1 ZINC000284039438 1435978312 /nfs/dbraw/zinc/97/83/12/1435978312.db2.gz IXCPQYICTKYVGI-UHFFFAOYSA-O 1 0 399.496 3.029 20 30 GGEDRO CC1(NC(=S)C(C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(CO)c2)CC1 ZINC000284069777 1435984217 /nfs/dbraw/zinc/98/42/17/1435984217.db2.gz JYJKDAYZLYPKEZ-UHFFFAOYSA-O 1 0 381.521 3.036 20 30 GGEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)CC1 ZINC000284070548 1435984934 /nfs/dbraw/zinc/98/49/34/1435984934.db2.gz QKBZRTXFBUYLIL-UHFFFAOYSA-N 1 0 378.476 3.031 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000284174261 1436001434 /nfs/dbraw/zinc/00/14/34/1436001434.db2.gz XMECADQZDVKQQM-OAQYLSRUSA-N 1 0 375.472 3.209 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000284174257 1436001456 /nfs/dbraw/zinc/00/14/56/1436001456.db2.gz XMECADQZDVKQQM-NRFANRHFSA-N 1 0 375.472 3.209 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000284385692 1436017926 /nfs/dbraw/zinc/01/79/26/1436017926.db2.gz IBVJIUXTPLEZMC-LJQANCHMSA-N 1 0 398.551 3.066 20 30 GGEDRO COc1ncc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000284411040 1436019689 /nfs/dbraw/zinc/01/96/89/1436019689.db2.gz QFYCGFIAEVAPCE-UGSOOPFHSA-N 1 0 384.867 3.067 20 30 GGEDRO COc1ncc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000284411038 1436019754 /nfs/dbraw/zinc/01/97/54/1436019754.db2.gz QFYCGFIAEVAPCE-SCLBCKFNSA-N 1 0 384.867 3.067 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCC(=O)N3)C(=S)NC2(C)CC2)c1 ZINC000284467047 1436023881 /nfs/dbraw/zinc/02/38/81/1436023881.db2.gz RAWIFBMTTSNSGB-UHFFFAOYSA-O 1 0 394.520 3.248 20 30 GGEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)/C=C/c3ccc(C#N)cc3)cc2)CC1 ZINC000284472052 1436024421 /nfs/dbraw/zinc/02/44/21/1436024421.db2.gz LZIHTFAVBQLMIY-DHZHZOJOSA-N 1 0 375.472 3.361 20 30 GGEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC[N@@H+]1C ZINC000284574104 1436031402 /nfs/dbraw/zinc/03/14/02/1436031402.db2.gz NIHLXXQLNGWFIZ-OXJNMPFZSA-N 1 0 394.523 3.426 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000284690656 1436040619 /nfs/dbraw/zinc/04/06/19/1436040619.db2.gz HLXCWRCVYZRFIW-QGZVFWFLSA-N 1 0 399.516 3.078 20 30 GGEDRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2SCC#N)C[C@@H]1Cc1ccccc1 ZINC000284729912 1436044318 /nfs/dbraw/zinc/04/43/18/1436044318.db2.gz JZKLARKAOOIXGV-IBGZPJMESA-N 1 0 394.544 3.099 20 30 GGEDRO COc1ccc(C#N)cc1NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284743057 1436045177 /nfs/dbraw/zinc/04/51/77/1436045177.db2.gz XYVHSFMOPOZQMW-UHFFFAOYSA-N 1 0 394.475 3.362 20 30 GGEDRO C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1Cc1ccccc1 ZINC000284746914 1436045945 /nfs/dbraw/zinc/04/59/45/1436045945.db2.gz LHPJDMUFNPWBHI-LJQANCHMSA-N 1 0 382.895 3.009 20 30 GGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC(F)(C[NH3+])CC3)c(Cl)nn2)cc1 ZINC001164389119 718813728 /nfs/dbraw/zinc/81/37/28/718813728.db2.gz TYVGJYRILDEBMD-UHFFFAOYSA-N 1 0 395.816 3.481 20 30 GGEDRO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164400280 718843566 /nfs/dbraw/zinc/84/35/66/718843566.db2.gz VIJKULQHKZGEBX-QFIPXVFZSA-N 1 0 395.510 3.381 20 30 GGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@H]43)c(Cl)nn2)c1 ZINC001164410761 718877599 /nfs/dbraw/zinc/87/75/99/718877599.db2.gz GSQLXNDXJNYHMB-GDBMZVCRSA-N 1 0 375.810 3.154 20 30 GGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4C[C@]4([NH3+])C3)c(Cl)nn2)c1 ZINC001164422494 718897476 /nfs/dbraw/zinc/89/74/76/718897476.db2.gz VYVPYJADRYTUSJ-DYVFJYSZSA-N 1 0 375.810 3.141 20 30 GGEDRO COc1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164423690 718943452 /nfs/dbraw/zinc/94/34/52/718943452.db2.gz JPSLDOIRHMFKNH-HOCLYGCPSA-N 1 0 390.821 3.236 20 30 GGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@H]43)c(Cl)nn2)c1 ZINC001164446951 719002933 /nfs/dbraw/zinc/00/29/33/719002933.db2.gz ADKSJFVCLCBSPF-GDBMZVCRSA-N 1 0 375.810 3.154 20 30 GGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@@H]43)c(Cl)nn2)cc1 ZINC001164448907 719003193 /nfs/dbraw/zinc/00/31/93/719003193.db2.gz JVFLLSKDPOAYMS-ZBFHGGJFSA-N 1 0 375.810 3.154 20 30 GGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@@H]43)c(Cl)nn2)c1 ZINC001164446954 719003263 /nfs/dbraw/zinc/00/32/63/719003263.db2.gz ADKSJFVCLCBSPF-HOCLYGCPSA-N 1 0 375.810 3.154 20 30 GGEDRO C[N@@H+]1CCO[C@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)C[C@@H]21 ZINC001164667226 719397348 /nfs/dbraw/zinc/39/73/48/719397348.db2.gz NGUIPZXWTBBMTA-ROUUACIJSA-N 1 0 376.485 3.354 20 30 GGEDRO CC(C)N(C)Cc1nn(-c2nc3c(cc2C#N)CCCC3(C)C)c2c1CC[NH2+]C2 ZINC001164684124 719651638 /nfs/dbraw/zinc/65/16/38/719651638.db2.gz WHBZIERPLAMUGV-UHFFFAOYSA-N 1 0 392.551 3.239 20 30 GGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc(Cl)c2C#N)CC3)cs1 ZINC001164694402 719806120 /nfs/dbraw/zinc/80/61/20/719806120.db2.gz YBHLAKUGXAMPBF-UHFFFAOYSA-N 1 0 388.928 3.402 20 30 GGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc4c(C#N)c[nH]c4n2)CC3)cs1 ZINC001164692805 719812129 /nfs/dbraw/zinc/81/21/29/719812129.db2.gz SBAKNRDYMBZDQC-UHFFFAOYSA-N 1 0 393.520 3.230 20 30 GGEDRO N#Cc1cc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc2[nH]1 ZINC001164697699 719897086 /nfs/dbraw/zinc/89/70/86/719897086.db2.gz NTCQZZDZIMTSJA-UHFFFAOYSA-N 1 0 393.516 3.367 20 30 GGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C)c(C#N)n1)CC2 ZINC001164716946 720114994 /nfs/dbraw/zinc/11/49/94/720114994.db2.gz MBPMJVKMNIWEGK-FQEVSTJZSA-N 1 0 391.519 3.164 20 30 GGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C#N)c(C)n1)CC2 ZINC001164712063 720128285 /nfs/dbraw/zinc/12/82/85/720128285.db2.gz KIXHWUADIGIIFR-OAQYLSRUSA-N 1 0 391.519 3.164 20 30 GGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(CC#N)ccn1)CC2 ZINC001164711263 720130090 /nfs/dbraw/zinc/13/00/90/720130090.db2.gz GSMOSADXWAFHPT-NRFANRHFSA-N 1 0 391.519 3.050 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001164819544 720166587 /nfs/dbraw/zinc/16/65/87/720166587.db2.gz XSUOITGAQGSHGH-NZQKXSOJSA-N 1 0 380.536 3.017 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3c(c1C#N)CCCC3)C2 ZINC001164814092 720201780 /nfs/dbraw/zinc/20/17/80/720201780.db2.gz SLAOUILQMULMRY-CVDCTZTESA-N 1 0 380.536 3.017 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C#N)cc(Cl)n3)CC[C@@H]21 ZINC001164832880 720505039 /nfs/dbraw/zinc/50/50/39/720505039.db2.gz BQTXLAZITIKLBA-SQNIBIBYSA-N 1 0 384.915 3.181 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C#N ZINC001164837249 720512227 /nfs/dbraw/zinc/51/22/27/720512227.db2.gz OQZSFQIPLXEQHF-ZIFCJYIRSA-N 1 0 398.942 3.489 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)ncc3C#N)CC[C@@H]21 ZINC001164836094 720514013 /nfs/dbraw/zinc/51/40/13/720514013.db2.gz MHYLZAKYSXOUMW-SZMVWBNQSA-N 1 0 384.915 3.181 20 30 GGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3cccs3)ccc2C#N)C1 ZINC001164733940 720524990 /nfs/dbraw/zinc/52/49/90/720524990.db2.gz NEMWMVMZGLGVHJ-HNNXBMFYSA-N 1 0 378.505 3.076 20 30 GGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c12 ZINC001164736219 720536637 /nfs/dbraw/zinc/53/66/37/720536637.db2.gz WBXLSAJFSSAQDA-HNNXBMFYSA-N 1 0 394.910 3.463 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c(C#N)c[nH]c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840751 720555945 /nfs/dbraw/zinc/55/59/45/720555945.db2.gz SRQHHVAXYXFLPX-IMFGXOCKSA-N 1 0 389.507 3.009 20 30 GGEDRO C[Si](C)(C)C#Cc1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164730524 720572669 /nfs/dbraw/zinc/57/26/69/720572669.db2.gz XPDUXSUCTNYROM-UHFFFAOYSA-N 1 0 393.611 3.166 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(Cl)cc3C#N)CC[C@@H]21 ZINC001164835939 720580420 /nfs/dbraw/zinc/58/04/20/720580420.db2.gz CXTSASFMHOQLGO-NEWSRXKRSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)CC[C@@H]21 ZINC001164835576 720585522 /nfs/dbraw/zinc/58/55/22/720585522.db2.gz BKNGBCPLCOKHQI-KPFFTGBYSA-N 1 0 389.507 3.009 20 30 GGEDRO N#Cc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)cc1Cl ZINC001164736366 720591141 /nfs/dbraw/zinc/59/11/41/720591141.db2.gz KTCHFAOKMCDSBO-UHFFFAOYSA-N 1 0 391.306 3.115 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4[nH]c(C#N)cc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835579 720594865 /nfs/dbraw/zinc/59/48/65/720594865.db2.gz BNDGGYSWJAOADO-DJPFJPOOSA-N 1 0 389.507 3.009 20 30 GGEDRO COc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1C#N ZINC001164837544 720660776 /nfs/dbraw/zinc/66/07/76/720660776.db2.gz CVBRNCZRZKBNAZ-HXUWFJFHSA-N 1 0 392.503 3.222 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164840345 720676644 /nfs/dbraw/zinc/67/66/44/720676644.db2.gz DFGPWWOOYWFJGC-NRFANRHFSA-N 1 0 387.487 3.085 20 30 GGEDRO COc1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164845370 720684144 /nfs/dbraw/zinc/68/41/44/720684144.db2.gz YWWDMIKGBZGDDZ-IBGZPJMESA-N 1 0 392.503 3.222 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(F)c1C#N)CC2 ZINC001164844873 720698235 /nfs/dbraw/zinc/69/82/35/720698235.db2.gz VRQSBHSYIZUSPR-GOSISDBHSA-N 1 0 380.467 3.352 20 30 GGEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4cnc(C#N)c(C#N)n4)CC3)CC2)cc1 ZINC001164758665 721045940 /nfs/dbraw/zinc/04/59/40/721045940.db2.gz AFTHRUHHCVEKEO-UHFFFAOYSA-N 1 0 386.503 3.411 20 30 GGEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164791750 721489942 /nfs/dbraw/zinc/48/99/42/721489942.db2.gz FDQAXABWGOXJBH-UHFFFAOYSA-N 1 0 387.491 3.106 20 30 GGEDRO N#Cc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900518 721510461 /nfs/dbraw/zinc/51/04/61/721510461.db2.gz RRAGQBXDDHJIAB-ZBFHGGJFSA-N 1 0 390.821 3.227 20 30 GGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc(C#N)cc32)[C@H]2CCCO[C@@H]12 ZINC001164807790 721547754 /nfs/dbraw/zinc/54/77/54/721547754.db2.gz RHMALZIDQCKCRM-YTFSRNRJSA-N 1 0 399.498 3.370 20 30 GGEDRO N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164903111 721553139 /nfs/dbraw/zinc/55/31/39/721553139.db2.gz AMDBBXHRJTZRIA-TZIWHRDSSA-N 1 0 392.478 3.313 20 30 GGEDRO N#CCc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164908166 721561872 /nfs/dbraw/zinc/56/18/72/721561872.db2.gz PQQCUHFAOUONBV-FUHWJXTLSA-N 1 0 386.858 3.282 20 30 GGEDRO N#CCc1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164908168 721562214 /nfs/dbraw/zinc/56/22/14/721562214.db2.gz PQQCUHFAOUONBV-SJLPKXTDSA-N 1 0 386.858 3.282 20 30 GGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164808855 721577013 /nfs/dbraw/zinc/57/70/13/721577013.db2.gz WAZDUQQFZYVQAZ-AKFKNWHVSA-N 1 0 399.498 3.370 20 30 GGEDRO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C#N)c1 ZINC001164907430 721586526 /nfs/dbraw/zinc/58/65/26/721586526.db2.gz SLUGWASMJLHGOR-HXUWFJFHSA-N 1 0 383.446 3.394 20 30 GGEDRO COc1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164906101 721698369 /nfs/dbraw/zinc/69/83/69/721698369.db2.gz LENLUSOJERLXIY-FQEVSTJZSA-N 1 0 399.445 3.095 20 30 GGEDRO COc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1C#N ZINC001165025406 721799831 /nfs/dbraw/zinc/79/98/31/721799831.db2.gz NYVWUYCEJNHHMY-PWIZWCRZSA-N 1 0 377.492 3.094 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)nc3C#N)C[C@H]21 ZINC001165020368 721804634 /nfs/dbraw/zinc/80/46/34/721804634.db2.gz FHPBVFZMZFFTSW-QGPMSJSTSA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)nc3C#N)C[C@@H]21 ZINC001165020374 721804840 /nfs/dbraw/zinc/80/48/40/721804840.db2.gz FHPBVFZMZFFTSW-UWWQBHOKSA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)cc3C#N)C[C@@H]21 ZINC001165024673 721806168 /nfs/dbraw/zinc/80/61/68/721806168.db2.gz MQYHUVFQOYXWLR-JCGIZDLHSA-N 1 0 382.899 3.134 20 30 GGEDRO COc1cc(C#N)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026079 721814122 /nfs/dbraw/zinc/81/41/22/721814122.db2.gz PAKORTCIZSSFDY-ZLGUVYLKSA-N 1 0 377.492 3.094 20 30 GGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C#N)c(C)n2)CC1 ZINC001165022033 721842703 /nfs/dbraw/zinc/84/27/03/721842703.db2.gz NGICJDQAYYTLIR-UHFFFAOYSA-N 1 0 380.492 3.380 20 30 GGEDRO Cc1ccc2nc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c(C#N)c(Cl)c2c1 ZINC001164930607 721890992 /nfs/dbraw/zinc/89/09/92/721890992.db2.gz CDRRFVREVDMMBP-RBUKOAKNSA-N 1 0 383.927 3.283 20 30 GGEDRO Cc1ccc2nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c(C#N)c(Cl)c2c1 ZINC001164930604 721891037 /nfs/dbraw/zinc/89/10/37/721891037.db2.gz CDRRFVREVDMMBP-OALUTQOASA-N 1 0 383.927 3.283 20 30 GGEDRO N#CCc1ccc(OCc2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2)cc1 ZINC001165042400 721919363 /nfs/dbraw/zinc/91/93/63/721919363.db2.gz CZWHXJDTFKGEED-QFIPXVFZSA-N 1 0 392.503 3.028 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(C#N)c4F)CC3)C2)cc1 ZINC001164941023 721925872 /nfs/dbraw/zinc/92/58/72/721925872.db2.gz YYMZQAAHIMOBNZ-UHFFFAOYSA-N 1 0 380.467 3.272 20 30 GGEDRO CC[NH+](CC)C1CCN(c2nccc(C#C[Si](C)(C)C)c2C(=O)OC)CC1 ZINC001165053110 722004430 /nfs/dbraw/zinc/00/44/30/722004430.db2.gz IZGDRVQYSQLZHY-UHFFFAOYSA-N 1 0 387.600 3.408 20 30 GGEDRO N#Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)c1 ZINC001164960459 722052944 /nfs/dbraw/zinc/05/29/44/722052944.db2.gz OJYYTIURURRKAN-UHFFFAOYSA-N 1 0 397.910 3.121 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164979897 722101990 /nfs/dbraw/zinc/10/19/90/722101990.db2.gz IFZBYZGVKNUABA-HKUYNNGSSA-N 1 0 397.910 3.037 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164979901 722102251 /nfs/dbraw/zinc/10/22/51/722102251.db2.gz IFZBYZGVKNUABA-MJGOQNOKSA-N 1 0 397.910 3.037 20 30 GGEDRO CC(C)c1ccc(C#N)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983911 722103540 /nfs/dbraw/zinc/10/35/40/722103540.db2.gz QYJWZCKFVCBVLP-RBBKRZOGSA-N 1 0 391.519 3.199 20 30 GGEDRO N#Cc1c[nH]c2nc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ncc12 ZINC001164995955 722206010 /nfs/dbraw/zinc/20/60/10/722206010.db2.gz QLBXNCPGOPTXDG-NRFANRHFSA-N 1 0 376.439 3.214 20 30 GGEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000823909645 946515776 /nfs/dbraw/zinc/51/57/76/946515776.db2.gz MEXZKUGWYJITGB-UHFFFAOYSA-N 1 0 375.379 3.292 20 30 GGEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccc(C#N)c1 ZINC000824546235 946786701 /nfs/dbraw/zinc/78/67/01/946786701.db2.gz HRFVRWDOZYZCRV-INIZCTEOSA-N 1 0 387.491 3.054 20 30 GGEDRO C=CC[N@H+](CC1CCCCC1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC001573340960 947523613 /nfs/dbraw/zinc/52/36/13/947523613.db2.gz FMWDZQWSOJZTPV-MRXNPFEDSA-N 1 0 386.525 3.102 20 30 GGEDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1C ZINC000453633914 1126093408 /nfs/dbraw/zinc/09/34/08/1126093408.db2.gz QXONJPMLPQHNSV-QFIPXVFZSA-N 1 0 389.503 3.169 20 30 GGEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1OC ZINC000873191113 1126118811 /nfs/dbraw/zinc/11/88/11/1126118811.db2.gz JEEDRXBGYFYZKO-OPAMFIHVSA-N 1 0 384.476 3.078 20 30 GGEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC001176587256 1126149726 /nfs/dbraw/zinc/14/97/26/1126149726.db2.gz HZZKWCZBSRPTOG-FQEVSTJZSA-N 1 0 376.403 3.252 20 30 GGEDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(C#N)ccc1Br ZINC001620536917 1126240928 /nfs/dbraw/zinc/24/09/28/1126240928.db2.gz HQCOHSYAWBZGMP-LJQANCHMSA-N 1 0 389.293 3.413 20 30 GGEDRO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801328 222008509 /nfs/dbraw/zinc/00/85/09/222008509.db2.gz WABOODYLNSTDQR-KRWDZBQOSA-N 1 0 394.544 3.105 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)CC1 ZINC000067163757 518268671 /nfs/dbraw/zinc/26/86/71/518268671.db2.gz AQKSSENUUAYUET-UHFFFAOYSA-N 1 0 379.460 3.475 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000072309734 518774725 /nfs/dbraw/zinc/77/47/25/518774725.db2.gz WNFHDKDOHHBRBA-UHFFFAOYSA-N 1 0 380.492 3.110 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C(N)=O)cc1 ZINC000115600809 564196177 /nfs/dbraw/zinc/19/61/77/564196177.db2.gz YBRZSUJDRLRCSL-QGZVFWFLSA-N 1 0 384.277 3.169 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C(N)=O)cc1 ZINC000115600807 564196494 /nfs/dbraw/zinc/19/64/94/564196494.db2.gz YBRZSUJDRLRCSL-KRWDZBQOSA-N 1 0 384.277 3.169 20 30 GGEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597967 564196816 /nfs/dbraw/zinc/19/68/16/564196816.db2.gz KMMGXPHWAHCJBB-SCLBCKFNSA-N 1 0 386.293 3.458 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+]CCCc2ccc(Br)cc2F)C(N)=O)cc1 ZINC000116394191 564209562 /nfs/dbraw/zinc/20/95/62/564209562.db2.gz QSWXYQHDJSLNDZ-KRWDZBQOSA-N 1 0 390.256 3.209 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1Br ZINC000007879427 564243128 /nfs/dbraw/zinc/24/31/28/564243128.db2.gz RIGAVFXREXVDTC-PXAZEXFGSA-N 1 0 382.302 3.163 20 30 GGEDRO Cc1nc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)sc1SCC#N ZINC000118774658 564246519 /nfs/dbraw/zinc/24/65/19/564246519.db2.gz DBUANLAIILXKIU-UHFFFAOYSA-N 1 0 380.539 3.041 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000014200946 564280420 /nfs/dbraw/zinc/28/04/20/564280420.db2.gz QABMXFRYERPWJK-CYBMUJFWSA-N 1 0 381.295 3.254 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000120031883 564301018 /nfs/dbraw/zinc/30/10/18/564301018.db2.gz SNKKUXHKHRWGMG-QGZVFWFLSA-N 1 0 387.277 3.339 20 30 GGEDRO N#CCSCCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120996328 564346811 /nfs/dbraw/zinc/34/68/11/564346811.db2.gz AKMINHLSJPBEBZ-QGZVFWFLSA-N 1 0 393.354 3.278 20 30 GGEDRO COCCCCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120977313 564347242 /nfs/dbraw/zinc/34/72/42/564347242.db2.gz WRBXJOLGYXUWCD-SFHVURJKSA-N 1 0 380.330 3.448 20 30 GGEDRO COc1cccc(C(=O)C(C(=S)NCCCSC)[n+]2ccccc2)c1 ZINC000027478748 564355016 /nfs/dbraw/zinc/35/50/16/564355016.db2.gz ZGZIDSSSLQNVJK-UHFFFAOYSA-O 1 0 375.539 3.264 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Br)ccc1Cl ZINC000121442782 564369783 /nfs/dbraw/zinc/36/97/83/564369783.db2.gz KCIYJDHHCMJXPQ-UHFFFAOYSA-N 1 0 382.693 3.344 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000121535733 564372905 /nfs/dbraw/zinc/37/29/05/564372905.db2.gz YNOYQNSCVZAUJJ-UHFFFAOYSA-N 1 0 382.258 3.128 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1nnc(C(F)(F)F)s1)C(C)C ZINC000124790722 564493531 /nfs/dbraw/zinc/49/35/31/564493531.db2.gz QQCFXLHDTDKBBX-NSHDSACASA-N 1 0 377.436 3.377 20 30 GGEDRO C[N@H+](CCOc1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125535907 564517511 /nfs/dbraw/zinc/51/75/11/564517511.db2.gz BVUPIWBIUODWBV-SFHVURJKSA-N 1 0 375.266 3.365 20 30 GGEDRO C[N@@H+](Cc1cc(Br)cs1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000047752780 564525941 /nfs/dbraw/zinc/52/59/41/564525941.db2.gz PVKMYWVPXUBYKD-HNNXBMFYSA-N 1 0 395.322 3.448 20 30 GGEDRO C[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000047751732 564526228 /nfs/dbraw/zinc/52/62/28/564526228.db2.gz KEDULOCSFSXMRH-CQSZACIVSA-N 1 0 381.295 3.254 20 30 GGEDRO C[N@H+](CCOc1ccccc1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000125784254 564526894 /nfs/dbraw/zinc/52/68/94/564526894.db2.gz WSENAGHFZXGQOI-QGZVFWFLSA-N 1 0 375.266 3.365 20 30 GGEDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000125968709 564532986 /nfs/dbraw/zinc/53/29/86/564532986.db2.gz WPNZFBWUSACHOR-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C#N ZINC000133366763 564772022 /nfs/dbraw/zinc/77/20/22/564772022.db2.gz OKLKFHHQNCHMBO-LLVKDONJSA-N 1 0 377.901 3.206 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCCCc2cccc(Br)c2)CC1 ZINC000066704192 564773049 /nfs/dbraw/zinc/77/30/49/564773049.db2.gz YLVPJSWYUHDMFC-UHFFFAOYSA-N 1 0 380.330 3.331 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000069010058 564831569 /nfs/dbraw/zinc/83/15/69/564831569.db2.gz GFBBDIPROYPOBF-CQSZACIVSA-N 1 0 378.314 3.426 20 30 GGEDRO C=CCNc1ncc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000136231880 564847002 /nfs/dbraw/zinc/84/70/02/564847002.db2.gz GTNNUHDWKLFABS-CQSZACIVSA-N 1 0 376.551 3.445 20 30 GGEDRO C=CCNC(=O)CN[C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000104076382 564952969 /nfs/dbraw/zinc/95/29/69/564952969.db2.gz QPYADHRYRGXMQL-IBGZPJMESA-N 1 0 389.293 3.439 20 30 GGEDRO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152605970 564964813 /nfs/dbraw/zinc/96/48/13/564964813.db2.gz DLFYJSHXXFJYPM-CQSZACIVSA-N 1 0 378.314 3.173 20 30 GGEDRO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000152608498 564964924 /nfs/dbraw/zinc/96/49/24/564964924.db2.gz PMVKVNXDFAYQPA-SFHVURJKSA-N 1 0 390.325 3.221 20 30 GGEDRO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000152608426 564964943 /nfs/dbraw/zinc/96/49/43/564964943.db2.gz PMVKVNXDFAYQPA-GOSISDBHSA-N 1 0 390.325 3.221 20 30 GGEDRO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152605846 564965455 /nfs/dbraw/zinc/96/54/55/564965455.db2.gz DLFYJSHXXFJYPM-AWEZNQCLSA-N 1 0 378.314 3.173 20 30 GGEDRO CC(C)[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[NH+](C)C ZINC000106408266 564982976 /nfs/dbraw/zinc/98/29/76/564982976.db2.gz BVZNRPSRFVOOEI-CQSZACIVSA-N 1 0 375.523 3.227 20 30 GGEDRO CC(C)[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[NH+](C)C ZINC000106408263 564982996 /nfs/dbraw/zinc/98/29/96/564982996.db2.gz BVZNRPSRFVOOEI-AWEZNQCLSA-N 1 0 375.523 3.227 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCc1ccc(Br)cc1 ZINC000106861636 564990181 /nfs/dbraw/zinc/99/01/81/564990181.db2.gz RFOJNZQTZFFLOJ-KDOFPFPSSA-N 1 0 380.330 3.366 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000109818666 565032141 /nfs/dbraw/zinc/03/21/41/565032141.db2.gz ORHGDWPQUJWPSX-SFHVURJKSA-N 1 0 380.330 3.414 20 30 GGEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC#N ZINC000111333026 565052636 /nfs/dbraw/zinc/05/26/36/565052636.db2.gz UVYRSTBDROTZEW-UHFFFAOYSA-N 1 0 392.352 3.381 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000112293753 565061968 /nfs/dbraw/zinc/06/19/68/565061968.db2.gz ZJEKBDUTOZRVML-CQSZACIVSA-N 1 0 381.314 3.373 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)c(Cl)c1 ZINC000183577734 565079924 /nfs/dbraw/zinc/07/99/24/565079924.db2.gz CVYVTVWQEALDLN-UHFFFAOYSA-N 1 0 381.929 3.145 20 30 GGEDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000156699269 565100974 /nfs/dbraw/zinc/10/09/74/565100974.db2.gz OWDWIUQLOLMDAN-UHFFFAOYSA-N 1 0 377.897 3.142 20 30 GGEDRO COc1cc(C)c(Br)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000184556598 565144049 /nfs/dbraw/zinc/14/40/49/565144049.db2.gz PKJZYUDTSOMFHI-UHFFFAOYSA-N 1 0 397.317 3.465 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000184652844 565150326 /nfs/dbraw/zinc/15/03/26/565150326.db2.gz UZDCYELXPVLGNN-UHFFFAOYSA-N 1 0 391.313 3.380 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1OC ZINC000371137270 565178502 /nfs/dbraw/zinc/17/85/02/565178502.db2.gz AOCSRVALIPVING-CQSZACIVSA-N 1 0 392.297 3.393 20 30 GGEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185826266 565223541 /nfs/dbraw/zinc/22/35/41/565223541.db2.gz HPPCSZCMMBEQRO-HOCLYGCPSA-N 1 0 378.314 3.470 20 30 GGEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185826304 565223600 /nfs/dbraw/zinc/22/36/00/565223600.db2.gz HPPCSZCMMBEQRO-ZBFHGGJFSA-N 1 0 378.314 3.470 20 30 GGEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000185861021 565224527 /nfs/dbraw/zinc/22/45/27/565224527.db2.gz WMPWHBDNNXEXDQ-PBHICJAKSA-N 1 0 378.314 3.458 20 30 GGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000185847668 565225327 /nfs/dbraw/zinc/22/53/27/565225327.db2.gz KLUOFOUWZZSQRJ-CVEARBPZSA-N 1 0 381.567 3.137 20 30 GGEDRO C=CCCOCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185873896 565226386 /nfs/dbraw/zinc/22/63/86/565226386.db2.gz JCCXJYBSYNYEKG-UHFFFAOYSA-N 1 0 378.108 3.476 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000294889220 565234445 /nfs/dbraw/zinc/23/44/45/565234445.db2.gz ILYBDOQVSYUOCZ-INIZCTEOSA-N 1 0 376.298 3.411 20 30 GGEDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810722 565255861 /nfs/dbraw/zinc/25/58/61/565255861.db2.gz WCFBNTFNOOIMST-AEFFLSMTSA-N 1 0 389.297 3.142 20 30 GGEDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1)C(N)=O ZINC000295594713 565275738 /nfs/dbraw/zinc/27/57/38/565275738.db2.gz MROJWTWWTRGBEI-AWEZNQCLSA-N 1 0 378.314 3.434 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000295823479 565288495 /nfs/dbraw/zinc/28/84/95/565288495.db2.gz MAMXFBHYXQKJCS-UHFFFAOYSA-N 1 0 399.292 3.110 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCc2cnccn2)cc1OC ZINC000272762047 565296836 /nfs/dbraw/zinc/29/68/36/565296836.db2.gz LSIPFYLVIOGHNR-UHFFFAOYSA-N 1 0 392.297 3.487 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000272850245 565299847 /nfs/dbraw/zinc/29/98/47/565299847.db2.gz KYJGYLMBELPTLJ-CYBMUJFWSA-N 1 0 380.535 3.379 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2csc(Br)c2)C2CC2)CC1 ZINC000161994912 565300432 /nfs/dbraw/zinc/30/04/32/565300432.db2.gz XPMPLRRXHHEUFY-UHFFFAOYSA-N 1 0 381.339 3.347 20 30 GGEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373824722 565304986 /nfs/dbraw/zinc/30/49/86/565304986.db2.gz RLPUTCDUKGXNLY-CQSZACIVSA-N 1 0 375.519 3.124 20 30 GGEDRO CN1CC[NH+](CC2(C)CCN(c3ccc(C#N)cc3Br)CC2)CC1 ZINC000374934097 565360546 /nfs/dbraw/zinc/36/05/46/565360546.db2.gz ZABVHTQFEJJSTO-UHFFFAOYSA-N 1 0 391.357 3.175 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(C(=O)OC)CC2)cc1OC ZINC000188684995 565416273 /nfs/dbraw/zinc/41/62/73/565416273.db2.gz URHBYHIXMMOWQA-UHFFFAOYSA-N 1 0 384.270 3.065 20 30 GGEDRO C=CCN1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000188728595 565420900 /nfs/dbraw/zinc/42/09/00/565420900.db2.gz FKALWNCKYFBUST-UHFFFAOYSA-N 1 0 394.357 3.026 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000171557980 565437318 /nfs/dbraw/zinc/43/73/18/565437318.db2.gz FNQMZGMGAFJNSV-UHFFFAOYSA-N 1 0 396.329 3.297 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(F)c(Br)c2)CC1 ZINC000171560761 565437613 /nfs/dbraw/zinc/43/76/13/565437613.db2.gz XTDMXPCLUWOOMJ-UHFFFAOYSA-N 1 0 398.320 3.470 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1C#N ZINC000376506501 565439972 /nfs/dbraw/zinc/43/99/72/565439972.db2.gz KZFWQPZTSSXPBL-CQSZACIVSA-N 1 0 378.314 3.006 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(Br)cc1C#N ZINC000376506897 565440041 /nfs/dbraw/zinc/44/00/41/565440041.db2.gz MSEVBEMOLPPYPT-KZNAEPCWSA-N 1 0 378.314 3.004 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000376508480 565440245 /nfs/dbraw/zinc/44/02/45/565440245.db2.gz UWSHPAROAXVDCW-KSSFIOAISA-N 1 0 388.309 3.296 20 30 GGEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1C#N ZINC000376506500 565440306 /nfs/dbraw/zinc/44/03/06/565440306.db2.gz KZFWQPZTSSXPBL-AWEZNQCLSA-N 1 0 378.314 3.006 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Br)c(F)cc1F ZINC000189063798 565441071 /nfs/dbraw/zinc/44/10/71/565441071.db2.gz WMDRIVHMEVJLGS-UHFFFAOYSA-N 1 0 389.244 3.427 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000171714336 565446747 /nfs/dbraw/zinc/44/67/47/565446747.db2.gz RMJATQRUZMKDQG-UHFFFAOYSA-N 1 0 389.297 3.219 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000171717944 565446852 /nfs/dbraw/zinc/44/68/52/565446852.db2.gz VXDZKGNOKWOMDY-AWEZNQCLSA-N 1 0 381.314 3.291 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000171717980 565447096 /nfs/dbraw/zinc/44/70/96/565447096.db2.gz MPSVFZKFDAXIRX-UHFFFAOYSA-N 1 0 389.297 3.015 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)c(OCC)c(OC)c2)CC1 ZINC000171721653 565447385 /nfs/dbraw/zinc/44/73/85/565447385.db2.gz IAGNWMUJWGSEEF-UHFFFAOYSA-N 1 0 397.313 3.237 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000171739251 565447930 /nfs/dbraw/zinc/44/79/30/565447930.db2.gz ZMYVVLDOMWTAQS-UHFFFAOYSA-N 1 0 378.314 3.167 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 ZINC000299609769 565456330 /nfs/dbraw/zinc/45/63/30/565456330.db2.gz YAFVWZYGXQUAQA-UHFFFAOYSA-N 1 0 377.941 3.177 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc(CO)c1 ZINC000299601621 565457055 /nfs/dbraw/zinc/45/70/55/565457055.db2.gz NSDJLABHKKJHKK-GFCCVEGCSA-O 1 0 377.555 3.472 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(Br)cn3)CC2)cc1 ZINC000171959387 565458529 /nfs/dbraw/zinc/45/85/29/565458529.db2.gz VRHSDBMLEYIHBJ-UHFFFAOYSA-N 1 0 385.309 3.424 20 30 GGEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1Br ZINC000276907380 565466330 /nfs/dbraw/zinc/46/63/30/565466330.db2.gz MRBFQGAWWHPGMZ-WMZOPIPTSA-N 1 0 389.297 3.291 20 30 GGEDRO N#Cc1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Br)c1 ZINC000302046962 565526701 /nfs/dbraw/zinc/52/67/01/565526701.db2.gz LJIBJOIGXIJYDJ-QGZVFWFLSA-N 1 0 386.293 3.499 20 30 GGEDRO N#Cc1cc(Br)ccc1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000302106432 565529949 /nfs/dbraw/zinc/52/99/49/565529949.db2.gz XTMJKKBFKYEFOP-ROUUACIJSA-N 1 0 386.293 3.368 20 30 GGEDRO C#CC[NH+]1CCC(c2nc(-c3cc(Br)c(C)nc3OC)no2)CC1 ZINC000278117581 565541097 /nfs/dbraw/zinc/54/10/97/565541097.db2.gz QDMDAUFRLMHVFI-UHFFFAOYSA-N 1 0 391.269 3.024 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)cc(F)c1Br ZINC000190616132 565545875 /nfs/dbraw/zinc/54/58/75/565545875.db2.gz ZIOMFIAAPUPSLE-UHFFFAOYSA-N 1 0 389.244 3.427 20 30 GGEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(C#N)ccc1Br ZINC000278371859 565554622 /nfs/dbraw/zinc/55/46/22/565554622.db2.gz CBGOIDTZZDALQL-AWEZNQCLSA-N 1 0 378.314 3.006 20 30 GGEDRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CC(C)(C)C#N)CC1 ZINC000278383365 565555327 /nfs/dbraw/zinc/55/53/27/565555327.db2.gz HWVAHFGNUJACLA-UHFFFAOYSA-N 1 0 379.302 3.079 20 30 GGEDRO C[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)[N@H+](C)Cc1ccccc1 ZINC000390758679 565557857 /nfs/dbraw/zinc/55/78/57/565557857.db2.gz KHXWOVRTZRGEAN-AWEZNQCLSA-N 1 0 377.897 3.010 20 30 GGEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000303436639 565569963 /nfs/dbraw/zinc/56/99/63/565569963.db2.gz DPXYGPOFBQSWTP-CQSZACIVSA-N 1 0 383.945 3.391 20 30 GGEDRO Cn1cc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)cc1C#N ZINC000190924128 565569997 /nfs/dbraw/zinc/56/99/97/565569997.db2.gz DXTNOQHFYOXUTD-UHFFFAOYSA-N 1 0 388.309 3.497 20 30 GGEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000278706696 565574511 /nfs/dbraw/zinc/57/45/11/565574511.db2.gz UBAOFUGNOHGGFA-SWLSCSKDSA-N 1 0 377.286 3.187 20 30 GGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752940 565576412 /nfs/dbraw/zinc/57/64/12/565576412.db2.gz XEKMXGNEGZTWFG-NFAWXSAZSA-N 1 0 377.286 3.187 20 30 GGEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)s1 ZINC000398173017 565576377 /nfs/dbraw/zinc/57/63/77/565576377.db2.gz PIBBOQBMMUCOQN-KRWDZBQOSA-N 1 0 377.535 3.055 20 30 GGEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)s1 ZINC000398173021 565577090 /nfs/dbraw/zinc/57/70/90/565577090.db2.gz PIBBOQBMMUCOQN-QGZVFWFLSA-N 1 0 377.535 3.055 20 30 GGEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000311000514 565579132 /nfs/dbraw/zinc/57/91/32/565579132.db2.gz JMRRMYJTYBOEER-CQSZACIVSA-N 1 0 377.897 3.010 20 30 GGEDRO C[N@@H+](Cc1cc(Br)cs1)C[C@H](O)COc1ccccc1C#N ZINC000314721949 565587895 /nfs/dbraw/zinc/58/78/95/565587895.db2.gz UUNJCVUPEMHJNX-AWEZNQCLSA-N 1 0 381.295 3.254 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000408155258 565596429 /nfs/dbraw/zinc/59/64/29/565596429.db2.gz QCDJPIAHHVCWRX-LZWOXQAQSA-N 1 0 381.929 3.238 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000408155254 565596939 /nfs/dbraw/zinc/59/69/39/565596939.db2.gz QCDJPIAHHVCWRX-IIAWOOMASA-N 1 0 381.929 3.238 20 30 GGEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348418 565598005 /nfs/dbraw/zinc/59/80/05/565598005.db2.gz AHRQABYMZGVSCK-HNNXBMFYSA-N 1 0 386.330 3.358 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191456454 565605837 /nfs/dbraw/zinc/60/58/37/565605837.db2.gz KTCJQIZYZPAOFC-UHFFFAOYSA-N 1 0 378.314 3.423 20 30 GGEDRO CN(CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000321939854 565608072 /nfs/dbraw/zinc/60/80/72/565608072.db2.gz MEFFNQDOOOPTFK-UHFFFAOYSA-N 1 0 393.306 3.226 20 30 GGEDRO N#CCSCCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000174126743 565615488 /nfs/dbraw/zinc/61/54/88/565615488.db2.gz KLODLLYNLXQXJC-UHFFFAOYSA-N 1 0 397.342 3.141 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000279817253 565635021 /nfs/dbraw/zinc/63/50/21/565635021.db2.gz GDSKPKMFFUTISX-ZDUSSCGKSA-N 1 0 381.318 3.245 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C[N@@H+]1C1CC1 ZINC000328809008 565642527 /nfs/dbraw/zinc/64/25/27/565642527.db2.gz MJTGGBLQJPGRJY-HFBDOXOYSA-N 1 0 398.276 3.151 20 30 GGEDRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328835149 565643348 /nfs/dbraw/zinc/64/33/48/565643348.db2.gz SGGGONUFGNVZCX-BASLNEPJSA-N 1 0 397.313 3.287 20 30 GGEDRO CC1=CC[N@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000329117339 565654115 /nfs/dbraw/zinc/65/41/15/565654115.db2.gz ULXUAGQFWQLIAY-UHFFFAOYSA-N 1 0 381.270 3.177 20 30 GGEDRO C[NH+]1CCC2(CCCN2C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000329100449 565654838 /nfs/dbraw/zinc/65/48/38/565654838.db2.gz ZKOLPOZXGPSWJP-UHFFFAOYSA-N 1 0 386.327 3.275 20 30 GGEDRO COc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(OC)c1Br ZINC000329213239 565659746 /nfs/dbraw/zinc/65/97/46/565659746.db2.gz JCONBBBVAQUYEZ-OLZOCXBDSA-N 1 0 398.301 3.228 20 30 GGEDRO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329427266 565666347 /nfs/dbraw/zinc/66/63/47/565666347.db2.gz JDAYDPRKPCATBG-BXUZGUMPSA-N 1 0 390.285 3.345 20 30 GGEDRO CCc1nc(C(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)co1 ZINC000329582898 565671220 /nfs/dbraw/zinc/67/12/20/565671220.db2.gz LOEVYVKVAJITAB-UHFFFAOYSA-N 1 0 393.285 3.388 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Br)cs3)C2=O)cc1 ZINC000192244979 565673553 /nfs/dbraw/zinc/67/35/53/565673553.db2.gz JKOOLKPISVIMSK-INIZCTEOSA-N 1 0 390.306 3.273 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(Br)s3)C2=O)cc1 ZINC000192241919 565673674 /nfs/dbraw/zinc/67/36/74/565673674.db2.gz NGAPHMSRTZDRTP-OAHLLOKOSA-N 1 0 390.306 3.273 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(Br)cc3)C2=O)cc1 ZINC000192245413 565674121 /nfs/dbraw/zinc/67/41/21/565674121.db2.gz PZHBGDRYVVUHIP-SFHVURJKSA-N 1 0 384.277 3.211 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000329709046 565676316 /nfs/dbraw/zinc/67/63/16/565676316.db2.gz LINNFXDWCUOOBI-DAXOMENPSA-N 1 0 381.929 3.294 20 30 GGEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)[C@@H]2C1 ZINC000329836843 565682418 /nfs/dbraw/zinc/68/24/18/565682418.db2.gz HZFZEKMIRXHLEI-SJKOYZFVSA-N 1 0 391.313 3.370 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000329827832 565682436 /nfs/dbraw/zinc/68/24/36/565682436.db2.gz JCTDDLOCFMAQHW-IAQYHMDHSA-N 1 0 395.297 3.202 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ncc(C#N)cc1Cl ZINC000410474457 565687284 /nfs/dbraw/zinc/68/72/84/565687284.db2.gz KWFKUWFFKSSFHE-UHFFFAOYSA-N 1 0 377.275 3.464 20 30 GGEDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc2c(c(Br)c1)OCO2 ZINC000329949224 565687585 /nfs/dbraw/zinc/68/75/85/565687585.db2.gz LJHFNLHAXRXMBX-UHFFFAOYSA-N 1 0 381.270 3.357 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000192424078 565688631 /nfs/dbraw/zinc/68/86/31/565688631.db2.gz GEQHHUUMWISWOA-UHFFFAOYSA-N 1 0 396.285 3.008 20 30 GGEDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000330097855 565691877 /nfs/dbraw/zinc/69/18/77/565691877.db2.gz BFVQYDRQKJXSNT-WCQYABFASA-N 1 0 381.274 3.263 20 30 GGEDRO O=C(Nc1ccc(Br)cn1)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000330134890 565694718 /nfs/dbraw/zinc/69/47/18/565694718.db2.gz SGKGQVFNIKENHV-ZDUSSCGKSA-N 1 0 381.274 3.263 20 30 GGEDRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000330182419 565696739 /nfs/dbraw/zinc/69/67/39/565696739.db2.gz OYTCURWUCTWYGY-CABCVRRESA-N 1 0 383.901 3.408 20 30 GGEDRO COc1ccc(Br)c(CNC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000330439792 565706488 /nfs/dbraw/zinc/70/64/88/565706488.db2.gz CRTPFTMFNHXPBV-UHFFFAOYSA-N 1 0 384.318 3.334 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000330541360 565710685 /nfs/dbraw/zinc/71/06/85/565710685.db2.gz AFQCDOALAHRZGR-NEPJUHHUSA-N 1 0 390.311 3.325 20 30 GGEDRO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000330547588 565711264 /nfs/dbraw/zinc/71/12/64/565711264.db2.gz QDIXFOZQMAYINT-GFCCVEGCSA-N 1 0 386.323 3.487 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000330541363 565711495 /nfs/dbraw/zinc/71/14/95/565711495.db2.gz AFQCDOALAHRZGR-RYUDHWBXSA-N 1 0 390.311 3.325 20 30 GGEDRO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000330547590 565712026 /nfs/dbraw/zinc/71/20/26/565712026.db2.gz QDIXFOZQMAYINT-LBPRGKRZSA-N 1 0 386.323 3.487 20 30 GGEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000330579108 565713344 /nfs/dbraw/zinc/71/33/44/565713344.db2.gz SKAXOGUMKUGDKE-OLZOCXBDSA-N 1 0 387.933 3.137 20 30 GGEDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(Br)cc1Cl ZINC000330604036 565714276 /nfs/dbraw/zinc/71/42/76/565714276.db2.gz IHUSFSZEAMCBOK-GFCCVEGCSA-N 1 0 375.694 3.254 20 30 GGEDRO CC[C@H]1CN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000330664154 565718207 /nfs/dbraw/zinc/71/82/07/565718207.db2.gz XYGVOIFZWIMJGC-YPMHNXCESA-N 1 0 390.311 3.325 20 30 GGEDRO CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC[N@@H+]1C[C@@H](C)O ZINC000330664152 565718499 /nfs/dbraw/zinc/71/84/99/565718499.db2.gz XYGVOIFZWIMJGC-DGCLKSJQSA-N 1 0 390.311 3.325 20 30 GGEDRO COc1cc(Br)c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1OC ZINC000330720658 565720285 /nfs/dbraw/zinc/72/02/85/565720285.db2.gz XCIMQAFUPNGZJP-GHMZBOCLSA-N 1 0 386.290 3.036 20 30 GGEDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cccc(Br)c1Cl ZINC000330793708 565722837 /nfs/dbraw/zinc/72/28/37/565722837.db2.gz FGJRVFPLJBPLBP-LLVKDONJSA-N 1 0 375.694 3.254 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000330983248 565733519 /nfs/dbraw/zinc/73/35/19/565733519.db2.gz JZWCLNWXEZJUAF-LBPRGKRZSA-N 1 0 376.284 3.200 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Cl ZINC000330971180 565733561 /nfs/dbraw/zinc/73/35/61/565733561.db2.gz FKLDRLLYZCSYLC-NWDGAFQWSA-N 1 0 390.311 3.325 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1Cl ZINC000330971172 565733700 /nfs/dbraw/zinc/73/37/00/565733700.db2.gz FKLDRLLYZCSYLC-NEPJUHHUSA-N 1 0 390.311 3.325 20 30 GGEDRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[NH+](C(C)C)CC2)c1C ZINC000331131556 565741168 /nfs/dbraw/zinc/74/11/68/565741168.db2.gz TZHMROYNGOQCAO-UHFFFAOYSA-N 1 0 398.301 3.116 20 30 GGEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000331167568 565743629 /nfs/dbraw/zinc/74/36/29/565743629.db2.gz IJDBMXDPKIZKNA-GHMZBOCLSA-N 1 0 379.810 3.291 20 30 GGEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000331167604 565743665 /nfs/dbraw/zinc/74/36/65/565743665.db2.gz IJDBMXDPKIZKNA-QWRGUYRKSA-N 1 0 379.810 3.291 20 30 GGEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000331199934 565745518 /nfs/dbraw/zinc/74/55/18/565745518.db2.gz WFNLSRLZSFKNLY-MNOVXSKESA-N 1 0 390.709 3.035 20 30 GGEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000331199935 565746125 /nfs/dbraw/zinc/74/61/25/565746125.db2.gz WFNLSRLZSFKNLY-QWRGUYRKSA-N 1 0 390.709 3.035 20 30 GGEDRO COc1ccc(Br)c(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000331279718 565751594 /nfs/dbraw/zinc/75/15/94/565751594.db2.gz KDTUQJPIHRWEFY-OAHLLOKOSA-N 1 0 388.331 3.221 20 30 GGEDRO COc1ccc(Br)c(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000331279717 565751809 /nfs/dbraw/zinc/75/18/09/565751809.db2.gz KDTUQJPIHRWEFY-HNNXBMFYSA-N 1 0 388.331 3.221 20 30 GGEDRO CC[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000331278964 565751836 /nfs/dbraw/zinc/75/18/36/565751836.db2.gz DRQRFRDPDDCCQF-MNOVXSKESA-N 1 0 378.275 3.455 20 30 GGEDRO Cc1cc(Br)cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000331287277 565752066 /nfs/dbraw/zinc/75/20/66/565752066.db2.gz HPJRMGNFMSANIS-CYBMUJFWSA-N 1 0 384.318 3.080 20 30 GGEDRO N#CC1(CCC[N@@H+](CCO)Cc2cc(Br)ccc2F)CCOCC1 ZINC000281897393 565754935 /nfs/dbraw/zinc/75/49/35/565754935.db2.gz FISVPXUPRZSGEK-UHFFFAOYSA-N 1 0 399.304 3.483 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281936591 565755735 /nfs/dbraw/zinc/75/57/35/565755735.db2.gz KVBGZYVGXDZPKO-UHFFFAOYSA-N 1 0 384.977 3.125 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 ZINC000176244695 565759276 /nfs/dbraw/zinc/75/92/76/565759276.db2.gz JKUOXQSLIFFFON-UHFFFAOYSA-N 1 0 380.941 3.413 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1 ZINC000411972485 565764754 /nfs/dbraw/zinc/76/47/54/565764754.db2.gz NCGQWSSBMGEZJB-DLBZAZTESA-N 1 0 384.277 3.022 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1OCC ZINC000193677505 565769265 /nfs/dbraw/zinc/76/92/65/565769265.db2.gz ZIYBZZAFNFJJQO-BLLLJJGKSA-N 1 0 397.313 3.027 20 30 GGEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000331903401 565791984 /nfs/dbraw/zinc/79/19/84/565791984.db2.gz HENWKVGHIMOPQP-BLLLJJGKSA-N 1 0 377.286 3.411 20 30 GGEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000331958872 565795863 /nfs/dbraw/zinc/79/58/63/565795863.db2.gz QBRLJJAXMCERFG-WFASDCNBSA-N 1 0 377.286 3.411 20 30 GGEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000332647356 565849980 /nfs/dbraw/zinc/84/99/80/565849980.db2.gz SUNQUXXZFWZXCU-CABCVRRESA-N 1 0 377.286 3.411 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1Br ZINC000332676277 565852631 /nfs/dbraw/zinc/85/26/31/565852631.db2.gz QLEMFSSCQSGDEX-HNNXBMFYSA-N 1 0 377.286 3.413 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000332740145 565855035 /nfs/dbraw/zinc/85/50/35/565855035.db2.gz YRIANPNTFGZVOR-WBHUJUFNSA-N 1 0 394.313 3.305 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000332740146 565855147 /nfs/dbraw/zinc/85/51/47/565855147.db2.gz YRIANPNTFGZVOR-XLWVJDPXSA-N 1 0 394.313 3.305 20 30 GGEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284788964 565870644 /nfs/dbraw/zinc/87/06/44/565870644.db2.gz NVTRZWOICMSLBZ-OAHLLOKOSA-N 1 0 391.294 3.457 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000177858210 565877825 /nfs/dbraw/zinc/87/78/25/565877825.db2.gz NEVXSZORTZFRCQ-OAHLLOKOSA-N 1 0 386.945 3.283 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000333354631 565878506 /nfs/dbraw/zinc/87/85/06/565878506.db2.gz RWIFFMZNRTXHRT-UONOGXRCSA-N 1 0 377.286 3.174 20 30 GGEDRO C=CCN1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000177904900 565880464 /nfs/dbraw/zinc/88/04/64/565880464.db2.gz OFINMNSONOASSM-AWEZNQCLSA-N 1 0 380.330 3.406 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000285211807 565895009 /nfs/dbraw/zinc/89/50/09/565895009.db2.gz BSKIYSGXJAHZKN-QGZVFWFLSA-N 1 0 393.329 3.245 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000178114729 565897924 /nfs/dbraw/zinc/89/79/24/565897924.db2.gz QGURCBKUWRCCII-UHFFFAOYSA-N 1 0 376.298 3.240 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000178266658 565908523 /nfs/dbraw/zinc/90/85/23/565908523.db2.gz ZTIYDRLIIUJYMF-OAHLLOKOSA-N 1 0 386.945 3.140 20 30 GGEDRO Cc1nc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)sc1SCC#N ZINC000334061488 565911164 /nfs/dbraw/zinc/91/11/64/565911164.db2.gz YSKBVOBHFGHOLE-ZDUSSCGKSA-N 1 0 382.580 3.223 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)C(=O)NC(C)C)cc1OC ZINC000414549001 565948298 /nfs/dbraw/zinc/94/82/98/565948298.db2.gz ZGROEJINOMDKMA-GFCCVEGCSA-N 1 0 385.302 3.025 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)c2ccc(Cl)s2)CC1 ZINC000286363432 565956132 /nfs/dbraw/zinc/95/61/32/565956132.db2.gz BZCAFDIAIVSGOU-CQSZACIVSA-N 1 0 383.945 3.126 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000179248232 565968258 /nfs/dbraw/zinc/96/82/58/565968258.db2.gz IZYQYXYBLIPKMS-UHFFFAOYSA-N 1 0 376.298 3.240 20 30 GGEDRO C=CCOc1c(Br)cc(CN[C@H](CC[NH3+])C(F)(F)F)cc1OC ZINC000415048507 565972094 /nfs/dbraw/zinc/97/20/94/565972094.db2.gz CEDMKKJVTQEGMY-CYBMUJFWSA-N 1 0 397.235 3.392 20 30 GGEDRO C[N@@H+]1CCC[C@H]1CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000245708862 566003400 /nfs/dbraw/zinc/00/34/00/566003400.db2.gz MXJWNDOYVKGZKV-RBUKOAKNSA-N 1 0 391.357 3.116 20 30 GGEDRO N#Cc1ccc(NC(=O)CN(C[C@H]2CCCO2)[C@H]2CCSC2)cc1Cl ZINC000245831769 566008336 /nfs/dbraw/zinc/00/83/36/566008336.db2.gz GLHJRRCIFFNEQP-JKSUJKDBSA-N 1 0 379.913 3.137 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000287286830 566009347 /nfs/dbraw/zinc/00/93/47/566009347.db2.gz RVTYFCUYRQLSRZ-CJNGLKHVSA-N 1 0 377.286 3.269 20 30 GGEDRO Cc1sc(NC(=O)CN(C[C@@H]2CCCO2)[C@H]2CCSC2)c(C#N)c1C ZINC000245893711 566009480 /nfs/dbraw/zinc/00/94/80/566009480.db2.gz OXMGUOXJLSKMOD-GJZGRUSLSA-N 1 0 379.551 3.162 20 30 GGEDRO N#Cc1ccc(Cl)cc1NC(=O)CN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245907978 566010952 /nfs/dbraw/zinc/01/09/52/566010952.db2.gz QYIYVORSKGHGOV-JKSUJKDBSA-N 1 0 379.913 3.137 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000415803278 566020026 /nfs/dbraw/zinc/02/00/26/566020026.db2.gz JBGBQXFMIZATON-UHFFFAOYSA-N 1 0 380.286 3.445 20 30 GGEDRO [NH3+]CC[C@@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)C(F)(F)F ZINC000416050333 566030129 /nfs/dbraw/zinc/03/01/29/566030129.db2.gz RNDBHEODJCSGMJ-SNVBAGLBSA-N 1 0 379.251 3.063 20 30 GGEDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180115493 566034265 /nfs/dbraw/zinc/03/42/65/566034265.db2.gz RZILGAWMANUIEL-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO CN(C(=O)COc1ccc(C#N)c(Br)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416097807 566034791 /nfs/dbraw/zinc/03/47/91/566034791.db2.gz GESXOZOCSOGOGJ-UHFFFAOYSA-N 1 0 394.313 3.032 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C2(c3cc(Br)ccc3OC)CC2)CC1 ZINC000416152621 566037636 /nfs/dbraw/zinc/03/76/36/566037636.db2.gz XZBZJBIJJXXYEB-UHFFFAOYSA-N 1 0 393.325 3.256 20 30 GGEDRO C[C@@H](C#N)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000416482796 566074582 /nfs/dbraw/zinc/07/45/82/566074582.db2.gz ZVXWEMQIBLGNGL-OETQVWQLSA-N 1 0 381.929 3.085 20 30 GGEDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000416550221 566086055 /nfs/dbraw/zinc/08/60/55/566086055.db2.gz DRMXJQLZYOMBLK-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2cc(C#N)ccc2Br)C[C@H](C)O1 ZINC000248942364 566092709 /nfs/dbraw/zinc/09/27/09/566092709.db2.gz AABMHZOSZVVSCU-RVKKMQEKSA-N 1 0 392.341 3.394 20 30 GGEDRO C[C@H]1C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2cccc(Br)c21 ZINC000180866835 566095273 /nfs/dbraw/zinc/09/52/73/566095273.db2.gz ZPVQEZMOFAESRQ-YPBRSNMLSA-N 1 0 390.281 3.113 20 30 GGEDRO C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N(C)Cc1cc(Br)cn1C ZINC000261754307 566134082 /nfs/dbraw/zinc/13/40/82/566134082.db2.gz MGCANAWGMZKFSS-NSHDSACASA-N 1 0 396.333 3.203 20 30 GGEDRO N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000181437317 566141159 /nfs/dbraw/zinc/14/11/59/566141159.db2.gz WFKFZRCWAQSNKY-IBGZPJMESA-N 1 0 391.357 3.117 20 30 GGEDRO Cc1nnc2n1C[C@@H](CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl)CC2 ZINC000262553073 566154581 /nfs/dbraw/zinc/15/45/81/566154581.db2.gz ZNUPYCBCECRNAT-ZYHUDNBSSA-N 1 0 381.311 3.121 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000182074841 566180313 /nfs/dbraw/zinc/18/03/13/566180313.db2.gz ZQEYFLDVFFLKQE-OLZOCXBDSA-N 1 0 382.302 3.116 20 30 GGEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)NCCCC#N)CC1 ZINC000367760016 566215823 /nfs/dbraw/zinc/21/58/23/566215823.db2.gz WYSFBWYOFXBGDB-UHFFFAOYSA-N 1 0 393.329 3.359 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418603791 566217473 /nfs/dbraw/zinc/21/74/73/566217473.db2.gz OFLAJNSDLHOAAG-WFASDCNBSA-N 1 0 384.293 3.426 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000367863516 566220038 /nfs/dbraw/zinc/22/00/38/566220038.db2.gz CYWWLCOJBUYEAC-LJQANCHMSA-N 1 0 382.261 3.417 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(C#N)cc1Br ZINC000367949309 566224521 /nfs/dbraw/zinc/22/45/21/566224521.db2.gz CPZZZAQGNIKQLA-BPQIPLTHSA-N 1 0 378.314 3.004 20 30 GGEDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000367966401 566225743 /nfs/dbraw/zinc/22/57/43/566225743.db2.gz ZDEYVSVIBNNNPN-WMZOPIPTSA-N 1 0 389.297 3.142 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183024596 566235244 /nfs/dbraw/zinc/23/52/44/566235244.db2.gz GGBAUDXVXQNUJA-ZFWWWQNUSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183024576 566235257 /nfs/dbraw/zinc/23/52/57/566235257.db2.gz GGBAUDXVXQNUJA-UKRRQHHQSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@H]([NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N(C)CCC#N ZINC000481755410 566250563 /nfs/dbraw/zinc/25/05/63/566250563.db2.gz ZJPRUURKFRRRJQ-ZBEGNZNMSA-N 1 0 382.277 3.389 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000481745262 566250825 /nfs/dbraw/zinc/25/08/25/566250825.db2.gz RXFUXHZZNZGFLJ-MSOLQXFVSA-N 1 0 394.288 3.437 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000481745264 566250864 /nfs/dbraw/zinc/25/08/64/566250864.db2.gz RXFUXHZZNZGFLJ-ROUUACIJSA-N 1 0 394.288 3.437 20 30 GGEDRO CCOC1CC(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1 ZINC000509007265 566254025 /nfs/dbraw/zinc/25/40/25/566254025.db2.gz OUJNRBIFJFAGAJ-PPSBMQLTSA-N 1 0 392.341 3.446 20 30 GGEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526031 566272081 /nfs/dbraw/zinc/27/20/81/566272081.db2.gz CBZIIAFANAEXCE-CZUORRHYSA-N 1 0 396.354 3.376 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526191 566272289 /nfs/dbraw/zinc/27/22/89/566272289.db2.gz GUIYTWOUQJZZJJ-INIZCTEOSA-N 1 0 396.354 3.378 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)CC(F)(F)F)cc1OC ZINC000535247743 566289062 /nfs/dbraw/zinc/28/90/62/566289062.db2.gz SBGKSYAPADALJT-NSHDSACASA-N 1 0 398.219 3.425 20 30 GGEDRO N#Cc1ccc(C[NH2+]CCOc2ccc(I)cc2)s1 ZINC000509432135 566304960 /nfs/dbraw/zinc/30/49/60/566304960.db2.gz YBXYSMNONDOKAZ-UHFFFAOYSA-N 1 0 384.242 3.393 20 30 GGEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)CCC(C)(C)C#N)c2cccs2)CC1 ZINC000576016451 566307266 /nfs/dbraw/zinc/30/72/66/566307266.db2.gz VZOCRWBHIILUPI-MRXNPFEDSA-N 1 0 383.583 3.380 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000576090820 566314546 /nfs/dbraw/zinc/31/45/46/566314546.db2.gz OPWRXDKHKPNGAW-OLZOCXBDSA-N 1 0 380.286 3.087 20 30 GGEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cc(Br)cc4c3OCC4)n2c1 ZINC000462544436 566320341 /nfs/dbraw/zinc/32/03/41/566320341.db2.gz AEACCSBQDJBEML-UHFFFAOYSA-N 1 0 383.249 3.193 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420977851 566334172 /nfs/dbraw/zinc/33/41/72/566334172.db2.gz SOANKPGXEPGCPX-MRXNPFEDSA-N 1 0 378.314 3.218 20 30 GGEDRO C=CCC[C@H](CC)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000556915159 566342439 /nfs/dbraw/zinc/34/24/39/566342439.db2.gz NPJIARPPQYNVIU-AWEZNQCLSA-N 1 0 389.359 3.370 20 30 GGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000556915168 566345005 /nfs/dbraw/zinc/34/50/05/566345005.db2.gz NSEGMJMLDGUFFP-KGLIPLIRSA-N 1 0 389.359 3.308 20 30 GGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000556915171 566345418 /nfs/dbraw/zinc/34/54/18/566345418.db2.gz NSEGMJMLDGUFFP-ZIAGYGMSSA-N 1 0 389.359 3.308 20 30 GGEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000670207560 566353908 /nfs/dbraw/zinc/35/39/08/566353908.db2.gz IFJMAESYMLEDST-ZDUSSCGKSA-N 1 0 393.333 3.142 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000576520329 566354158 /nfs/dbraw/zinc/35/41/58/566354158.db2.gz LRYHLYKPSJZQSB-BHIYHBOVSA-N 1 0 392.341 3.182 20 30 GGEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000600720394 566358805 /nfs/dbraw/zinc/35/88/05/566358805.db2.gz PCDMGOSHHNGRSF-OAHLLOKOSA-N 1 0 393.256 3.032 20 30 GGEDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)ccc1Br ZINC000600735462 566361088 /nfs/dbraw/zinc/36/10/88/566361088.db2.gz JMNOXIWQRXFQMP-MRXNPFEDSA-N 1 0 375.266 3.159 20 30 GGEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000576609580 566362638 /nfs/dbraw/zinc/36/26/38/566362638.db2.gz HIFKWRNDLGYOFM-YJBOKZPZSA-N 1 0 378.314 3.058 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCSc2ccccc2Cl)c1C#N ZINC000536300270 566362697 /nfs/dbraw/zinc/36/26/97/566362697.db2.gz DDMLEDGGKPFJKT-UHFFFAOYSA-N 1 0 377.901 3.208 20 30 GGEDRO C=CCC[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483248231 566367913 /nfs/dbraw/zinc/36/79/13/566367913.db2.gz DSVFFHKBSFHNSP-FZMZJTMJSA-N 1 0 382.220 3.418 20 30 GGEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000557168372 566370185 /nfs/dbraw/zinc/37/01/85/566370185.db2.gz CZHXUEFRGNTIJE-UHFFFAOYSA-N 1 0 384.281 3.474 20 30 GGEDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000510398532 566379648 /nfs/dbraw/zinc/37/96/48/566379648.db2.gz WCXQFEAQMZVNGL-MLGOLLRUSA-N 1 0 381.885 3.212 20 30 GGEDRO N#Cc1csc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000447057186 566381749 /nfs/dbraw/zinc/38/17/49/566381749.db2.gz DQBZZNYTLQXSJP-OAHLLOKOSA-N 1 0 376.279 3.277 20 30 GGEDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000510434456 566382446 /nfs/dbraw/zinc/38/24/46/566382446.db2.gz DLRCKQUDUUPXCV-WFASDCNBSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000510434451 566382599 /nfs/dbraw/zinc/38/25/99/566382599.db2.gz DLRCKQUDUUPXCV-DOMZBBRYSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000510432489 566383172 /nfs/dbraw/zinc/38/31/72/566383172.db2.gz TZKDOIGUYKTHOJ-SWLSCSKDSA-N 1 0 381.885 3.212 20 30 GGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000601127216 566392327 /nfs/dbraw/zinc/39/23/27/566392327.db2.gz BVSXHEVKDZQIRA-QGZVFWFLSA-N 1 0 375.881 3.026 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc(Br)c1 ZINC000463428645 566410115 /nfs/dbraw/zinc/41/01/15/566410115.db2.gz KOXCWVYZEDIWDN-RDTXWAMCSA-N 1 0 380.330 3.366 20 30 GGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000421875303 566414102 /nfs/dbraw/zinc/41/41/02/566414102.db2.gz IWYPAMXNKNHDKJ-HNNXBMFYSA-N 1 0 383.926 3.422 20 30 GGEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000537097114 566422164 /nfs/dbraw/zinc/42/21/64/566422164.db2.gz AMXQHOHOQUVRAF-OCCSQVGLSA-N 1 0 379.302 3.173 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2Br)cc1 ZINC000577503916 566440082 /nfs/dbraw/zinc/44/00/82/566440082.db2.gz WZYDAVKTSKNTMY-DKSSEZFCSA-N 1 0 387.277 3.206 20 30 GGEDRO N#Cc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000558116337 566450812 /nfs/dbraw/zinc/45/08/12/566450812.db2.gz FPYJZWGXKDQZPN-ROUUACIJSA-N 1 0 378.314 3.054 20 30 GGEDRO N#Cc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000558116336 566450949 /nfs/dbraw/zinc/45/09/49/566450949.db2.gz FPYJZWGXKDQZPN-QZTJIDSGSA-N 1 0 378.314 3.054 20 30 GGEDRO Cc1ccc(Br)cc1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000577860597 566470718 /nfs/dbraw/zinc/47/07/18/566470718.db2.gz PHCWRQRDAFTYBL-SFHVURJKSA-N 1 0 389.293 3.353 20 30 GGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000602445657 566471910 /nfs/dbraw/zinc/47/19/10/566471910.db2.gz SCNOQABKZALMCA-KGLIPLIRSA-N 1 0 379.302 3.434 20 30 GGEDRO COc1ccc(Br)c(C(=O)NCCC[NH2+]C[C@H](C)CCC#N)c1 ZINC000602541070 566476232 /nfs/dbraw/zinc/47/62/32/566476232.db2.gz RDMNXSWTIVNYQH-CYBMUJFWSA-N 1 0 382.302 3.107 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000602544261 566477372 /nfs/dbraw/zinc/47/73/72/566477372.db2.gz GREJYLZZAQMSPN-HOCLYGCPSA-N 1 0 389.297 3.445 20 30 GGEDRO N#Cc1ccc(OCC[N@@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000485123596 566478193 /nfs/dbraw/zinc/47/81/93/566478193.db2.gz OPCFZWRMXFPLBK-UHFFFAOYSA-N 1 0 381.295 3.256 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000602585598 566480285 /nfs/dbraw/zinc/48/02/85/566480285.db2.gz HGUWMLLJCQLKQW-GFCCVEGCSA-N 1 0 381.270 3.366 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1C#N)Cc1ccccc1 ZINC000448609033 566482696 /nfs/dbraw/zinc/48/26/96/566482696.db2.gz YREBRWNTZYBUDJ-QGZVFWFLSA-N 1 0 386.293 3.223 20 30 GGEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602693717 566487455 /nfs/dbraw/zinc/48/74/55/566487455.db2.gz FVTIVTRXEIHQAB-CQSZACIVSA-N 1 0 384.929 3.322 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000602673315 566488139 /nfs/dbraw/zinc/48/81/39/566488139.db2.gz SCKYGTFFRCBUSI-OAHLLOKOSA-N 1 0 384.929 3.192 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448716131 566490393 /nfs/dbraw/zinc/49/03/93/566490393.db2.gz UEDNIEKFYNGUDF-OKILXGFUSA-N 1 0 378.314 3.419 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000424065995 566507406 /nfs/dbraw/zinc/50/74/06/566507406.db2.gz MOFKYKUFHSMYQA-CQSZACIVSA-N 1 0 393.310 3.456 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000448921818 566511508 /nfs/dbraw/zinc/51/15/08/566511508.db2.gz ORFBLLVZYUDHCP-UHFFFAOYSA-N 1 0 389.297 3.015 20 30 GGEDRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424109441 566513104 /nfs/dbraw/zinc/51/31/04/566513104.db2.gz AKUJZIQLYAPUOE-LSDHHAIUSA-N 1 0 380.286 3.142 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000424135646 566514192 /nfs/dbraw/zinc/51/41/92/566514192.db2.gz JSDXZLOICMQUFN-NSHDSACASA-N 1 0 398.261 3.066 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000424125618 566514572 /nfs/dbraw/zinc/51/45/72/566514572.db2.gz OGNDAGMOFHHWTP-INIZCTEOSA-N 1 0 378.314 3.398 20 30 GGEDRO CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000424148212 566515605 /nfs/dbraw/zinc/51/56/05/566515605.db2.gz ZLDCADDGNNLFFV-ZIAGYGMSSA-N 1 0 382.327 3.466 20 30 GGEDRO CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000424148210 566516323 /nfs/dbraw/zinc/51/63/23/566516323.db2.gz ZLDCADDGNNLFFV-KGLIPLIRSA-N 1 0 382.327 3.466 20 30 GGEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc(I)c1OC ZINC000424206179 566519445 /nfs/dbraw/zinc/51/94/45/566519445.db2.gz WRUNRTSGPNQRRI-CMPLNLGQSA-N 1 0 386.233 3.090 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cn1 ZINC000578478189 566525483 /nfs/dbraw/zinc/52/54/83/566525483.db2.gz RUOXCCMXUUZBTA-CZUORRHYSA-N 1 0 390.281 3.001 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cc(F)cc(Br)c1 ZINC000485828817 566531508 /nfs/dbraw/zinc/53/15/08/566531508.db2.gz IVHANDOOVSDYDN-RDJZCZTQSA-N 1 0 382.277 3.437 20 30 GGEDRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CC(C)(C)CCC#N ZINC000449333812 566549914 /nfs/dbraw/zinc/54/99/14/566549914.db2.gz WCJNGBPRXKOSGJ-CYBMUJFWSA-N 1 0 396.329 3.382 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000465857892 566550102 /nfs/dbraw/zinc/55/01/02/566550102.db2.gz JBMMZPGPEGGDNT-AWEZNQCLSA-N 1 0 396.329 3.166 20 30 GGEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c2cc(Br)ccc2n1 ZINC000539005729 566553211 /nfs/dbraw/zinc/55/32/11/566553211.db2.gz SHDHUSJBVFLFML-UHFFFAOYSA-N 1 0 387.281 3.024 20 30 GGEDRO CC(C)([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000604124535 566553957 /nfs/dbraw/zinc/55/39/57/566553957.db2.gz JILPOMAVEKVTPS-UHFFFAOYSA-N 1 0 386.293 3.462 20 30 GGEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(-c3ccccc3Br)s2)n1 ZINC000512904068 566568102 /nfs/dbraw/zinc/56/81/02/566568102.db2.gz LXLHFSWCOJMMSH-UHFFFAOYSA-N 1 0 388.294 3.431 20 30 GGEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000539223806 566569515 /nfs/dbraw/zinc/56/95/15/566569515.db2.gz MNIFMEOIFCUCOQ-JTQLQIEISA-N 1 0 380.229 3.333 20 30 GGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000449516702 566571656 /nfs/dbraw/zinc/57/16/56/566571656.db2.gz BUZPRMOXWLWPSG-MSOLQXFVSA-N 1 0 393.325 3.295 20 30 GGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449547432 566575170 /nfs/dbraw/zinc/57/51/70/566575170.db2.gz IAZSINNJYTZGEI-KGLIPLIRSA-N 1 0 388.205 3.023 20 30 GGEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449694211 566594141 /nfs/dbraw/zinc/59/41/41/566594141.db2.gz ATSNDPKRAGVHFI-NSHDSACASA-N 1 0 378.108 3.211 20 30 GGEDRO N#Cc1cccc(CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)c1 ZINC000579290591 566596231 /nfs/dbraw/zinc/59/62/31/566596231.db2.gz ADYBRCVCJBDVOI-UHFFFAOYSA-N 1 0 382.265 3.234 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000513459347 566602928 /nfs/dbraw/zinc/60/29/28/566602928.db2.gz ZTZJVGUVRAXYCE-CYBMUJFWSA-N 1 0 385.961 3.009 20 30 GGEDRO C[NH+](C)CC[C@@H](NC(=O)COc1cccc(Br)c1C#N)C(C)(C)C ZINC000449880945 566612020 /nfs/dbraw/zinc/61/20/20/566612020.db2.gz QPUAKKRHXYUJKT-MRXNPFEDSA-N 1 0 396.329 3.182 20 30 GGEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000449973227 566620426 /nfs/dbraw/zinc/62/04/26/566620426.db2.gz QMZMRTYGSWSABQ-DZGCQCFKSA-N 1 0 394.313 3.031 20 30 GGEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)C[C@H]1C ZINC000449971976 566620445 /nfs/dbraw/zinc/62/04/45/566620445.db2.gz LZOOUDWKGMLJGL-ZIAGYGMSSA-N 1 0 394.313 3.031 20 30 GGEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)COc1cccc(Br)c1C#N ZINC000449967721 566621055 /nfs/dbraw/zinc/62/10/55/566621055.db2.gz VTVOJHNINZDNBV-AWEZNQCLSA-N 1 0 394.313 3.032 20 30 GGEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)C[C@@H]1C ZINC000449971975 566621371 /nfs/dbraw/zinc/62/13/71/566621371.db2.gz LZOOUDWKGMLJGL-UONOGXRCSA-N 1 0 394.313 3.031 20 30 GGEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449964751 566621378 /nfs/dbraw/zinc/62/13/78/566621378.db2.gz JWOFXYXUOGBZTC-OAHLLOKOSA-N 1 0 394.313 3.032 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000579625631 566626226 /nfs/dbraw/zinc/62/62/26/566626226.db2.gz JFBNWOQWCCHMAM-UHFFFAOYSA-N 1 0 382.277 3.315 20 30 GGEDRO Cc1ccc(Br)c(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000579701752 566631853 /nfs/dbraw/zinc/63/18/53/566631853.db2.gz LXTCNRZPYZVMFG-MRXNPFEDSA-N 1 0 375.266 3.159 20 30 GGEDRO Cc1ccc(Br)c(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000579701750 566631994 /nfs/dbraw/zinc/63/19/94/566631994.db2.gz LXTCNRZPYZVMFG-INIZCTEOSA-N 1 0 375.266 3.159 20 30 GGEDRO COC(=O)[C@@H]1C[N@H+](CCCSCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425508846 566650341 /nfs/dbraw/zinc/65/03/41/566650341.db2.gz INRHJKCWSOCUSS-JKSUJKDBSA-N 1 0 397.338 3.284 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000540464708 566651981 /nfs/dbraw/zinc/65/19/81/566651981.db2.gz ZFQSQBJOWOVDHL-VDBVYFBLSA-N 1 0 375.881 3.238 20 30 GGEDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)c2Br)[C@@H]1c1ccccc1 ZINC000450274004 566652334 /nfs/dbraw/zinc/65/23/34/566652334.db2.gz FIZJGHYIMYDLQJ-WMZOPIPTSA-N 1 0 384.277 3.496 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ncc(Br)cc1C#N ZINC000450377279 566663490 /nfs/dbraw/zinc/66/34/90/566663490.db2.gz ITVLJUNKNYFTGS-UHFFFAOYSA-N 1 0 384.281 3.156 20 30 GGEDRO N#Cc1cccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000450394906 566667128 /nfs/dbraw/zinc/66/71/28/566667128.db2.gz YPGHSXCAJYZFSF-UHFFFAOYSA-N 1 0 399.292 3.362 20 30 GGEDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c(C)s1 ZINC000540707979 566667065 /nfs/dbraw/zinc/66/70/65/566667065.db2.gz OULAKBGKTQYYDF-GFCCVEGCSA-N 1 0 381.498 3.005 20 30 GGEDRO COCC[N@H+](C)CCCC1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450416163 566668363 /nfs/dbraw/zinc/66/83/63/566668363.db2.gz DYOIJAKLPCFVDU-UHFFFAOYSA-N 1 0 395.345 3.291 20 30 GGEDRO N#Cc1cc(Br)cnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000450493824 566677947 /nfs/dbraw/zinc/67/79/47/566677947.db2.gz GVDSVVMCTMVTTM-CALCHBBNSA-N 1 0 383.293 3.284 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000450652023 566694494 /nfs/dbraw/zinc/69/44/94/566694494.db2.gz FHPXXOWRLRLCPE-MAUKXSAKSA-N 1 0 378.314 3.058 20 30 GGEDRO N#Cc1ccc(OCC[N@@H+](CCO)Cc2cccc(Br)c2)cc1 ZINC000488198871 566713923 /nfs/dbraw/zinc/71/39/23/566713923.db2.gz JMNFNMLKBQHLKN-UHFFFAOYSA-N 1 0 375.266 3.194 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000515523738 566719734 /nfs/dbraw/zinc/71/97/34/566719734.db2.gz RWGFMTQECAHOKD-GJZGRUSLSA-N 1 0 383.945 3.248 20 30 GGEDRO C[N@H+](CCCNS(=O)(=O)c1ccc(CC#N)cc1Cl)C1CCCCC1 ZINC000450978765 566728333 /nfs/dbraw/zinc/72/83/33/566728333.db2.gz ZWVUWIJYLSYWJV-UHFFFAOYSA-N 1 0 383.945 3.339 20 30 GGEDRO C=C[C@@](C)(O)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426781520 566728856 /nfs/dbraw/zinc/72/88/56/566728856.db2.gz AMGPFGDXYKBEAS-LJQANCHMSA-N 1 0 395.341 3.199 20 30 GGEDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000561786429 566740081 /nfs/dbraw/zinc/74/00/81/566740081.db2.gz FLEFWJCMOFWYAO-MRXNPFEDSA-N 1 0 382.957 3.074 20 30 GGEDRO N#Cc1cccc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)c1 ZINC000581007608 566743184 /nfs/dbraw/zinc/74/31/84/566743184.db2.gz UFGJSAYQDXHVIX-QGZVFWFLSA-N 1 0 393.256 3.032 20 30 GGEDRO C[NH+](C)CCc1ccc(CNC(=O)c2cccc(C#N)c2Br)cc1 ZINC000451061763 566745701 /nfs/dbraw/zinc/74/57/01/566745701.db2.gz YFCSEDCWEJZSEQ-UHFFFAOYSA-N 1 0 386.293 3.355 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451064851 566747408 /nfs/dbraw/zinc/74/74/08/566747408.db2.gz SSLCXHMUMTWBCJ-GASCZTMLSA-N 1 0 383.945 3.052 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427124192 566750611 /nfs/dbraw/zinc/75/06/11/566750611.db2.gz OVICDFJVMADORU-ZBFHGGJFSA-N 1 0 381.314 3.206 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](OC)c2ccccc2Br)CC1 ZINC000654747883 566751437 /nfs/dbraw/zinc/75/14/37/566751437.db2.gz PAHFYACIKKBFKD-QGZVFWFLSA-N 1 0 381.314 3.293 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000516291470 566756811 /nfs/dbraw/zinc/75/68/11/566756811.db2.gz WYROUNDEKAMFFV-HOTGVXAUSA-N 1 0 395.341 3.454 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc(C#N)c1 ZINC000562055281 566760969 /nfs/dbraw/zinc/76/09/69/566760969.db2.gz SRVQPYPJOWLLQL-WMLDXEAASA-N 1 0 375.519 3.124 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCCc2cccc(Br)c2)cc1 ZINC000609419861 566764004 /nfs/dbraw/zinc/76/40/04/566764004.db2.gz FSOOWHJPBCWDHS-GOSISDBHSA-N 1 0 389.293 3.283 20 30 GGEDRO N#CCc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(Cl)c1 ZINC000451165685 566769460 /nfs/dbraw/zinc/76/94/60/566769460.db2.gz WCIPTSTUBRLEQX-INIZCTEOSA-N 1 0 381.929 3.045 20 30 GGEDRO Cc1ccc(Br)c(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000581365379 566771446 /nfs/dbraw/zinc/77/14/46/566771446.db2.gz QNEJIQWXPAZXAF-KRWDZBQOSA-N 1 0 389.293 3.353 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cnc(C)[nH]c2=O)cc1OC ZINC000542310736 566791013 /nfs/dbraw/zinc/79/10/13/566791013.db2.gz AYYUISUJSZJNFQ-UHFFFAOYSA-N 1 0 394.269 3.116 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000678342799 566795398 /nfs/dbraw/zinc/79/53/98/566795398.db2.gz IILOOYHMORUDIG-GJZGRUSLSA-N 1 0 381.314 3.064 20 30 GGEDRO N#Cc1cnn2cc(C[NH2+]CCCOc3ccc(Cl)cc3Cl)cnc12 ZINC000516961055 566795482 /nfs/dbraw/zinc/79/54/82/566795482.db2.gz NBBHYJYIVXYMRX-UHFFFAOYSA-N 1 0 376.247 3.466 20 30 GGEDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469598531 566802206 /nfs/dbraw/zinc/80/22/06/566802206.db2.gz IVQGVAADBQOGAA-CQSZACIVSA-N 1 0 394.313 3.101 20 30 GGEDRO C=CCSCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581782077 566807300 /nfs/dbraw/zinc/80/73/00/566807300.db2.gz OQAIWOHRFXJZTF-UHFFFAOYSA-N 1 0 378.235 3.208 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(Cl)s1 ZINC000542556663 566809811 /nfs/dbraw/zinc/80/98/11/566809811.db2.gz ADUGJFZYTACZTC-HUUCEWRRSA-N 1 0 382.961 3.135 20 30 GGEDRO CCC[N@H+](C)[C@H](CNS(=O)(=O)CC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000451525411 566831646 /nfs/dbraw/zinc/83/16/46/566831646.db2.gz ANILMIKJKLHSIW-QGZVFWFLSA-N 1 0 383.945 3.336 20 30 GGEDRO C=CCOc1c(Br)cc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1OC ZINC000469995926 566835632 /nfs/dbraw/zinc/83/56/32/566835632.db2.gz HAZUZMNJQSUEFK-HNNXBMFYSA-N 1 0 381.314 3.349 20 30 GGEDRO N#Cc1cccc(OCCC[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000542908136 566836270 /nfs/dbraw/zinc/83/62/70/566836270.db2.gz CXEBZJHESDKFDR-GOSISDBHSA-N 1 0 375.266 3.413 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2cccc(Cl)c2Cl)cc1 ZINC000610497429 566838953 /nfs/dbraw/zinc/83/89/53/566838953.db2.gz PYODAAVKKWDWQW-UHFFFAOYSA-N 1 0 383.300 3.471 20 30 GGEDRO N#Cc1ccc(CNC(=O)CN2CC[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000451562737 566840052 /nfs/dbraw/zinc/84/00/52/566840052.db2.gz DCNPCNXOASWJIQ-GOSISDBHSA-N 1 0 398.304 3.426 20 30 GGEDRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000562985414 566842440 /nfs/dbraw/zinc/84/24/40/566842440.db2.gz RBMBWHONGJXMLL-SUYBPPKGSA-N 1 0 398.370 3.028 20 30 GGEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000562994613 566842637 /nfs/dbraw/zinc/84/26/37/566842637.db2.gz CIUYTQXYYBRYIB-AWEZNQCLSA-N 1 0 378.881 3.042 20 30 GGEDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(Br)cc3C#N)CC2)CC1 ZINC000543050602 566846683 /nfs/dbraw/zinc/84/66/83/566846683.db2.gz SFBCMQKAIZEAAI-UHFFFAOYSA-N 1 0 391.357 3.316 20 30 GGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000451603030 566848189 /nfs/dbraw/zinc/84/81/89/566848189.db2.gz YPHVRAPSOUBDOJ-OLZOCXBDSA-N 1 0 393.203 3.340 20 30 GGEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000428485936 566849089 /nfs/dbraw/zinc/84/90/89/566849089.db2.gz WFJCZBTZSMYRML-ZDUSSCGKSA-N 1 0 376.806 3.405 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)c(F)c1 ZINC000428533414 566851931 /nfs/dbraw/zinc/85/19/31/566851931.db2.gz GZISTXYBDWETJX-HNNXBMFYSA-N 1 0 377.257 3.401 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(I)cc2)CC1 ZINC000518004053 566859323 /nfs/dbraw/zinc/85/93/23/566859323.db2.gz YNIWWENJGSYOFE-UHFFFAOYSA-N 1 0 399.276 3.453 20 30 GGEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000470306100 566862222 /nfs/dbraw/zinc/86/22/22/566862222.db2.gz DNFYRVMPTHZOHO-SECBINFHSA-N 1 0 378.108 3.068 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)CC(F)F)cc1OC ZINC000428645042 566864329 /nfs/dbraw/zinc/86/43/29/566864329.db2.gz BCFFMZPZSLEMKK-LLVKDONJSA-N 1 0 380.229 3.128 20 30 GGEDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000563428096 566883618 /nfs/dbraw/zinc/88/36/18/566883618.db2.gz TYLWGWMMDAVPQI-OAHLLOKOSA-N 1 0 395.320 3.065 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nnc(CC)s1 ZINC000680017515 566886647 /nfs/dbraw/zinc/88/66/47/566886647.db2.gz PMVYZESBGQZUBC-UHFFFAOYSA-N 1 0 378.571 3.199 20 30 GGEDRO N#Cc1cc(Cl)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000611094493 566890026 /nfs/dbraw/zinc/89/00/26/566890026.db2.gz LQTWPWMEOMVUFA-LBPRGKRZSA-N 1 0 382.291 3.096 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000518624152 566897638 /nfs/dbraw/zinc/89/76/38/566897638.db2.gz CJZJKAZZKDDHOP-IRXDYDNUSA-N 1 0 378.314 3.255 20 30 GGEDRO C=CCOCCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000470773406 566903246 /nfs/dbraw/zinc/90/32/46/566903246.db2.gz NYUQUQNPDXAENL-GOSISDBHSA-N 1 0 378.314 3.224 20 30 GGEDRO N#Cc1cccc(OCC[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000543809820 566913241 /nfs/dbraw/zinc/91/32/41/566913241.db2.gz LIMXJFIPJWZWHP-SFHVURJKSA-N 1 0 375.266 3.413 20 30 GGEDRO C[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1cccc(C#N)c1 ZINC000611387403 566914326 /nfs/dbraw/zinc/91/43/26/566914326.db2.gz NEQMJZQKUYSBIY-LBPRGKRZSA-N 1 0 383.249 3.179 20 30 GGEDRO Cc1cc(Br)cc(C[NH2+]C2CCN(CC#N)CC2)c1OC(F)F ZINC000611497891 566922484 /nfs/dbraw/zinc/92/24/84/566922484.db2.gz OGVAVBSGDQHZPM-UHFFFAOYSA-N 1 0 388.256 3.437 20 30 GGEDRO N#CCN1CCC([NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000611519317 566923216 /nfs/dbraw/zinc/92/32/16/566923216.db2.gz SPEKWYWWNCXSPI-ROUUACIJSA-N 1 0 378.314 3.247 20 30 GGEDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000492794884 566939217 /nfs/dbraw/zinc/93/92/17/566939217.db2.gz XTJKJNVUFNSBMK-QGZVFWFLSA-N 1 0 380.330 3.253 20 30 GGEDRO N#Cc1ccc(OCC(=O)NCCCCC[NH+]2CCCC2)cc1Br ZINC000452144942 566942909 /nfs/dbraw/zinc/94/29/09/566942909.db2.gz FINARTMAUHWORG-UHFFFAOYSA-N 1 0 394.313 3.082 20 30 GGEDRO C=CC[N@@H+](C)CCN(CC)Cc1nc(-c2cccc(Br)c2)no1 ZINC000429702373 566946315 /nfs/dbraw/zinc/94/63/15/566946315.db2.gz NSKIRFHGWVJYDQ-UHFFFAOYSA-N 1 0 379.302 3.439 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2sccc2Br)cc1 ZINC000519637621 566954719 /nfs/dbraw/zinc/95/47/19/566954719.db2.gz JSJKRPQQCORJHT-ZDUSSCGKSA-N 1 0 381.295 3.106 20 30 GGEDRO C=CCN1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3Cl)CCOCC2)C1=O ZINC000493736703 566954946 /nfs/dbraw/zinc/95/49/46/566954946.db2.gz PEBODPZMNCLDIH-KRWDZBQOSA-N 1 0 383.319 3.418 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000519670773 566956233 /nfs/dbraw/zinc/95/62/33/566956233.db2.gz GVOBIFKBTQJDRW-OAHLLOKOSA-N 1 0 378.263 3.337 20 30 GGEDRO C=CCOCC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000564339544 566966256 /nfs/dbraw/zinc/96/62/56/566966256.db2.gz VVIWNOXEADJCNI-UHFFFAOYSA-N 1 0 387.261 3.337 20 30 GGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000519830985 566972868 /nfs/dbraw/zinc/97/28/68/566972868.db2.gz YOHIAMKVJMKDFX-KBPBESRZSA-N 1 0 389.359 3.226 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000583750910 566979932 /nfs/dbraw/zinc/97/99/32/566979932.db2.gz SKMYZTILFYMZKQ-QGZVFWFLSA-N 1 0 383.323 3.095 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000583750909 566980251 /nfs/dbraw/zinc/98/02/51/566980251.db2.gz SKMYZTILFYMZKQ-KRWDZBQOSA-N 1 0 383.323 3.095 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000494267405 566980599 /nfs/dbraw/zinc/98/05/99/566980599.db2.gz GSHFNRUJXRONNL-HNNXBMFYSA-N 1 0 393.256 3.332 20 30 GGEDRO C=CC[C@H](CO)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000544832645 566998593 /nfs/dbraw/zinc/99/85/93/566998593.db2.gz MYDKPQNTTIMQSU-HNNXBMFYSA-N 1 0 395.341 3.136 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000520558666 567012235 /nfs/dbraw/zinc/01/22/35/567012235.db2.gz XSENKLXDJBJBCD-UHFFFAOYSA-N 1 0 376.298 3.300 20 30 GGEDRO N#CCCC1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000564916334 567019426 /nfs/dbraw/zinc/01/94/26/567019426.db2.gz LPDZQHVJRYWBBP-MRXNPFEDSA-N 1 0 385.277 3.344 20 30 GGEDRO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000564985569 567027679 /nfs/dbraw/zinc/02/76/79/567027679.db2.gz KSLALXGPMPIBOU-INIZCTEOSA-N 1 0 384.281 3.474 20 30 GGEDRO C=CCC[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000472682298 567044351 /nfs/dbraw/zinc/04/43/51/567044351.db2.gz ILFIDVFQQNOICH-KRWDZBQOSA-N 1 0 381.314 3.427 20 30 GGEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000584545066 567051717 /nfs/dbraw/zinc/05/17/17/567051717.db2.gz KDJXHEYQOTYRDQ-QGZVFWFLSA-N 1 0 387.277 3.339 20 30 GGEDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000584538305 567052088 /nfs/dbraw/zinc/05/20/88/567052088.db2.gz LWLYGEXQUGXWAL-AWEZNQCLSA-N 1 0 378.314 3.006 20 30 GGEDRO C[C@@](CO)([NH2+]CCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000682528290 567056242 /nfs/dbraw/zinc/05/62/42/567056242.db2.gz VIFDMPRMSWZFQJ-ZDUSSCGKSA-N 1 0 377.300 3.420 20 30 GGEDRO C=CCCn1cc(C[NH2+]CCCc2ccc(Br)cc2OC)nn1 ZINC000657433312 567056999 /nfs/dbraw/zinc/05/69/99/567056999.db2.gz QAFDRJJJQPXQNW-UHFFFAOYSA-N 1 0 379.302 3.348 20 30 GGEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000473461614 567081857 /nfs/dbraw/zinc/08/18/57/567081857.db2.gz MUVAFGGKORBDHZ-KDOFPFPSSA-N 1 0 388.309 3.408 20 30 GGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453380301 567083393 /nfs/dbraw/zinc/08/33/93/567083393.db2.gz ZHWMUCICTZXJRM-IUODEOHRSA-N 1 0 379.302 3.316 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000521995671 567092099 /nfs/dbraw/zinc/09/20/99/567092099.db2.gz NOUNGSLCBYMPMM-MRXNPFEDSA-N 1 0 392.293 3.413 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cnc(C)cn2)cc1OC ZINC000453592144 567095082 /nfs/dbraw/zinc/09/50/82/567095082.db2.gz DHPPBIAYNCWPRW-UHFFFAOYSA-N 1 0 392.297 3.453 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C(C)(C)C(=O)NCC)cc1OCC ZINC000453609424 567096052 /nfs/dbraw/zinc/09/60/52/567096052.db2.gz WGJUGHBMYUYLJI-UHFFFAOYSA-N 1 0 399.329 3.417 20 30 GGEDRO CN(CCOc1ccccc1C#N)CC(=O)Nc1ccccc1Br ZINC000497585782 567110484 /nfs/dbraw/zinc/11/04/84/567110484.db2.gz SXEBCLWFTRUFDJ-UHFFFAOYSA-N 1 0 388.265 3.270 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000566077044 567124440 /nfs/dbraw/zinc/12/44/40/567124440.db2.gz IOUOAXSOLILVSY-MSOLQXFVSA-N 1 0 378.314 3.054 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000566077045 567124680 /nfs/dbraw/zinc/12/46/80/567124680.db2.gz IOUOAXSOLILVSY-QZTJIDSGSA-N 1 0 378.314 3.054 20 30 GGEDRO CN(CCn1cc(Br)cn1)Cc1ccc(C#N)cc1Br ZINC000588986319 567148070 /nfs/dbraw/zinc/14/80/70/567148070.db2.gz CEOGQNYYHBBLHS-UHFFFAOYSA-N 1 0 398.102 3.412 20 30 GGEDRO CN(C)C[C@](C)(C#N)NC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000566309653 567148470 /nfs/dbraw/zinc/14/84/70/567148470.db2.gz PXRMBCLAUXNQIE-ZDUSSCGKSA-N 1 0 378.192 3.042 20 30 GGEDRO CN(C)C[C@@](C)(C#N)NC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000566309652 567149101 /nfs/dbraw/zinc/14/91/01/567149101.db2.gz PXRMBCLAUXNQIE-CYBMUJFWSA-N 1 0 378.192 3.042 20 30 GGEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1Cl ZINC000432332872 567149786 /nfs/dbraw/zinc/14/97/86/567149786.db2.gz CMOPUJVXBMERON-UHFFFAOYSA-N 1 0 379.247 3.453 20 30 GGEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](O)C(F)(F)F ZINC000589162036 567160626 /nfs/dbraw/zinc/16/06/26/567160626.db2.gz FITWQUDMOLGWKS-HERUPUMHSA-N 1 0 377.794 3.076 20 30 GGEDRO Cc1noc(C)c1CN1CCN(c2cccc(Br)c2C#N)CC1 ZINC000615277856 567175622 /nfs/dbraw/zinc/17/56/22/567175622.db2.gz AUMIAEUFBXKJMD-UHFFFAOYSA-N 1 0 375.270 3.248 20 30 GGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)CC2 ZINC000589341477 567177316 /nfs/dbraw/zinc/17/73/16/567177316.db2.gz KOQVTTNXBAYYEI-MAUKXSAKSA-N 1 0 387.277 3.338 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000474576353 567180105 /nfs/dbraw/zinc/18/01/05/567180105.db2.gz LWTYNGASYGQOET-FZKQIMNGSA-N 1 0 377.897 3.181 20 30 GGEDRO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294208 567240627 /nfs/dbraw/zinc/24/06/27/567240627.db2.gz KHYGHNCVQUNVMQ-APWZRJJASA-N 1 0 398.304 3.412 20 30 GGEDRO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433295184 567240647 /nfs/dbraw/zinc/24/06/47/567240647.db2.gz CJYGKIBWFYVIKH-DNVCBOLYSA-N 1 0 390.325 3.122 20 30 GGEDRO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294210 567240860 /nfs/dbraw/zinc/24/08/60/567240860.db2.gz KHYGHNCVQUNVMQ-QFBILLFUSA-N 1 0 398.304 3.412 20 30 GGEDRO N#Cc1cc(F)c(N2CCC(C[NH+]3CCOCC3)CC2)cc1Br ZINC000567396403 567243350 /nfs/dbraw/zinc/24/33/50/567243350.db2.gz GHOZZRGBGFGLBK-UHFFFAOYSA-N 1 0 382.277 3.008 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(Br)c2)cc1 ZINC000567701040 567268799 /nfs/dbraw/zinc/26/87/99/567268799.db2.gz YBOXUAMJIKHZOE-YTQUADARSA-N 1 0 387.277 3.206 20 30 GGEDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cc(Br)ccc1C#N ZINC000591241486 567269486 /nfs/dbraw/zinc/26/94/86/567269486.db2.gz CPMLWFYATSBJEH-QGZVFWFLSA-N 1 0 375.266 3.192 20 30 GGEDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1cc(Br)ccc1C#N ZINC000591241485 567270192 /nfs/dbraw/zinc/27/01/92/567270192.db2.gz CPMLWFYATSBJEH-KRWDZBQOSA-N 1 0 375.266 3.192 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1CC[NH2+]CC1 ZINC000567715790 567270614 /nfs/dbraw/zinc/27/06/14/567270614.db2.gz ZJVZIDNUWBRWDY-UHFFFAOYSA-N 1 0 384.293 3.285 20 30 GGEDRO C=CCCCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000475763254 567272900 /nfs/dbraw/zinc/27/29/00/567272900.db2.gz QGFCPKCNCOEDIP-UHFFFAOYSA-N 1 0 380.330 3.491 20 30 GGEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000685413884 567273703 /nfs/dbraw/zinc/27/37/03/567273703.db2.gz UBVOKMOWHGDYFH-HOTGVXAUSA-N 1 0 376.444 3.441 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1OCC ZINC000685474716 567277929 /nfs/dbraw/zinc/27/79/29/567277929.db2.gz KITYRYPKROLOPT-CYBMUJFWSA-N 1 0 397.313 3.110 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c1 ZINC000617201140 567290483 /nfs/dbraw/zinc/29/04/83/567290483.db2.gz UMQYLLHZPQHQLL-UHFFFAOYSA-N 1 0 398.304 3.340 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCc2cc(Br)ccc2F)cc1 ZINC000591728607 567291570 /nfs/dbraw/zinc/29/15/70/567291570.db2.gz YFCBLMDKJRYJRR-MRXNPFEDSA-N 1 0 393.256 3.032 20 30 GGEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000591763806 567294811 /nfs/dbraw/zinc/29/48/11/567294811.db2.gz KEEMZNQXNJOKBY-LPHOPBHVSA-N 1 0 387.277 3.338 20 30 GGEDRO Cc1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1Br ZINC000591762891 567295008 /nfs/dbraw/zinc/29/50/08/567295008.db2.gz AQRJSJKOZFFJSJ-MRXNPFEDSA-N 1 0 375.266 3.159 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(COC)CC[NH2+]CC1 ZINC000567970146 567295178 /nfs/dbraw/zinc/29/51/78/567295178.db2.gz JAONVHUFHWQBKD-UHFFFAOYSA-N 1 0 399.304 3.119 20 30 GGEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000591763925 567295421 /nfs/dbraw/zinc/29/54/21/567295421.db2.gz REWRNKPIUVBCSJ-LPHOPBHVSA-N 1 0 387.277 3.338 20 30 GGEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000591763807 567295577 /nfs/dbraw/zinc/29/55/77/567295577.db2.gz KEEMZNQXNJOKBY-QFBILLFUSA-N 1 0 387.277 3.338 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000591770946 567296811 /nfs/dbraw/zinc/29/68/11/567296811.db2.gz PZIGIHXHQWOQOH-LBPRGKRZSA-N 1 0 385.258 3.051 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000660598380 567311535 /nfs/dbraw/zinc/31/15/35/567311535.db2.gz XOCCZPNGBPOIKG-INIZCTEOSA-N 1 0 386.323 3.367 20 30 GGEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000527298589 567328445 /nfs/dbraw/zinc/32/84/45/567328445.db2.gz OXXJSHZDULQFKX-AWEZNQCLSA-N 1 0 390.325 3.363 20 30 GGEDRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1cccc(C#N)c1 ZINC000500742379 567342277 /nfs/dbraw/zinc/34/22/77/567342277.db2.gz AEICYRZBVLQYOR-AWEZNQCLSA-N 1 0 377.897 3.231 20 30 GGEDRO C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000500790597 567345800 /nfs/dbraw/zinc/34/58/00/567345800.db2.gz IISWWYITFRXXKT-AWEZNQCLSA-N 1 0 377.897 3.231 20 30 GGEDRO C=CCCO[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000500945554 567354787 /nfs/dbraw/zinc/35/47/87/567354787.db2.gz OLBRTJGZNZINKM-HNNXBMFYSA-N 1 0 383.330 3.321 20 30 GGEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1)CC1CC1 ZINC000435439277 567367611 /nfs/dbraw/zinc/36/76/11/567367611.db2.gz RZRUCZZRONXCKU-UHFFFAOYSA-N 1 0 381.567 3.142 20 30 GGEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1)CC(C)C ZINC000435443141 567369216 /nfs/dbraw/zinc/36/92/16/567369216.db2.gz OUHWSPCHNGYGHN-UHFFFAOYSA-N 1 0 383.583 3.388 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c(Br)c1 ZINC000618308101 567369836 /nfs/dbraw/zinc/36/98/36/567369836.db2.gz QJEWKRANLZYKLS-MSOLQXFVSA-N 1 0 378.314 3.054 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000568972749 567371035 /nfs/dbraw/zinc/37/10/35/567371035.db2.gz SORYIVBYLMPEMS-QWHCGFSZSA-N 1 0 380.286 3.087 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000501386723 567385557 /nfs/dbraw/zinc/38/55/57/567385557.db2.gz IQBCDYDBUBTRCH-HNNXBMFYSA-N 1 0 381.314 3.349 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000436307136 567419139 /nfs/dbraw/zinc/41/91/39/567419139.db2.gz JYYOOEZUPXIYDE-UVWXRNBGSA-N 1 0 393.336 3.273 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000618883504 567420941 /nfs/dbraw/zinc/42/09/41/567420941.db2.gz HRDSPDOGKDLEJQ-GFCCVEGCSA-N 1 0 382.291 3.190 20 30 GGEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCCC1 ZINC000569920322 567443395 /nfs/dbraw/zinc/44/33/95/567443395.db2.gz GECQBTJSWKUBFO-SFHVURJKSA-N 1 0 394.357 3.057 20 30 GGEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Br)c[nH]3)CC2)c1 ZINC000593883593 567445159 /nfs/dbraw/zinc/44/51/59/567445159.db2.gz QJFKQXXQSRGNLS-UHFFFAOYSA-N 1 0 387.281 3.043 20 30 GGEDRO C[C@H](CCc1ccc(I)cc1)[NH2+]C1CCN(CC#N)CC1 ZINC000619426239 567452917 /nfs/dbraw/zinc/45/29/17/567452917.db2.gz JHYGXVNGRLXFJG-CQSZACIVSA-N 1 0 397.304 3.190 20 30 GGEDRO CC(=O)NCCN(Cc1cc(C#N)n(C)c1)Cc1ccc(Cl)cc1Cl ZINC000503044602 567466407 /nfs/dbraw/zinc/46/64/07/567466407.db2.gz VSTCUIJMIWIBAU-UHFFFAOYSA-N 1 0 379.291 3.342 20 30 GGEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2Cc2ccc(C#N)cc2Br)O1 ZINC000619785112 567480540 /nfs/dbraw/zinc/48/05/40/567480540.db2.gz LWMKGSFMARMSKX-FKSAFCJBSA-N 1 0 393.281 3.004 20 30 GGEDRO Cc1nn(-c2ccccc2Br)cc1C[NH2+]C1CCN(CC#N)CC1 ZINC000594497735 567481729 /nfs/dbraw/zinc/48/17/29/567481729.db2.gz FAIQOTKBFUAFPV-UHFFFAOYSA-N 1 0 388.313 3.021 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503384531 567483521 /nfs/dbraw/zinc/48/35/21/567483521.db2.gz OPRQLGCSQJGUPR-ZDUSSCGKSA-N 1 0 394.313 3.029 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503447854 567485765 /nfs/dbraw/zinc/48/57/65/567485765.db2.gz OGIMWROEOLDQPC-HUUCEWRRSA-N 1 0 383.945 3.248 20 30 GGEDRO C=CCOCC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000570560792 567494781 /nfs/dbraw/zinc/49/47/81/567494781.db2.gz LZBBQIWUXJJYDN-UHFFFAOYSA-N 1 0 381.314 3.075 20 30 GGEDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594757101 567508253 /nfs/dbraw/zinc/50/82/53/567508253.db2.gz KUSZTNLYGQYLKJ-OAHLLOKOSA-N 1 0 377.535 3.044 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000594769207 567510371 /nfs/dbraw/zinc/51/03/71/567510371.db2.gz DKSDNACFEXIJSE-OAHLLOKOSA-N 1 0 377.535 3.186 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)CN(C)[C@H]1CCSC1 ZINC000458009058 567513788 /nfs/dbraw/zinc/51/37/88/567513788.db2.gz DARBRMIRNCQPGD-ZDUSSCGKSA-N 1 0 385.327 3.390 20 30 GGEDRO C=C(C)C[NH+]1CCC(NCc2ccc(C(=O)OC)cc2Br)CC1 ZINC000551529975 567514341 /nfs/dbraw/zinc/51/43/41/567514341.db2.gz MLULINVLEZSORD-UHFFFAOYSA-N 1 0 381.314 3.366 20 30 GGEDRO CC(C)(CCC#N)C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000551587579 567521643 /nfs/dbraw/zinc/52/16/43/567521643.db2.gz CLXHFGGNSLHVHB-UHFFFAOYSA-N 1 0 385.249 3.149 20 30 GGEDRO Cc1c(Br)cncc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000594944758 567526625 /nfs/dbraw/zinc/52/66/25/567526625.db2.gz WAZUSPQUOVNUPZ-GOSISDBHSA-N 1 0 399.292 3.309 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ncc(Br)cc1F ZINC000529566910 567532478 /nfs/dbraw/zinc/53/24/78/567532478.db2.gz QXZXVKJQWGHQNG-UHFFFAOYSA-N 1 0 391.288 3.419 20 30 GGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000595056128 567538894 /nfs/dbraw/zinc/53/88/94/567538894.db2.gz AVAOTHAZDIAJKA-QGZVFWFLSA-N 1 0 399.292 3.113 20 30 GGEDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc(C#N)cc1 ZINC000595056585 567539485 /nfs/dbraw/zinc/53/94/85/567539485.db2.gz MMTALAHPEMZZGI-MRXNPFEDSA-N 1 0 387.281 3.186 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000664019192 567548449 /nfs/dbraw/zinc/54/84/49/567548449.db2.gz IOXZGPCXAYXSAQ-MRXNPFEDSA-N 1 0 386.323 3.319 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)CC1 ZINC000664019971 567548461 /nfs/dbraw/zinc/54/84/61/567548461.db2.gz PEHYFMCFLRHZAM-UHFFFAOYSA-N 1 0 384.307 3.416 20 30 GGEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438840668 567550329 /nfs/dbraw/zinc/55/03/29/567550329.db2.gz NUKRZDPFJCDCOA-KRWDZBQOSA-N 1 0 393.256 3.332 20 30 GGEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438844949 567550922 /nfs/dbraw/zinc/55/09/22/567550922.db2.gz ZOYLZGAQAXQIJZ-KRWDZBQOSA-N 1 0 393.256 3.332 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(F)cc2Br)cc1 ZINC000552034389 567552203 /nfs/dbraw/zinc/55/22/03/567552203.db2.gz SLNJCAXGAWRNKX-INIZCTEOSA-N 1 0 393.256 3.184 20 30 GGEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000439011591 567562152 /nfs/dbraw/zinc/56/21/52/567562152.db2.gz ZNGKWBWGAYDSRO-UHFFFAOYSA-N 1 0 390.272 3.106 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595471441 567567004 /nfs/dbraw/zinc/56/70/04/567567004.db2.gz AUWMIFZMUZIOJO-SFHVURJKSA-N 1 0 378.314 3.007 20 30 GGEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000530234045 567586326 /nfs/dbraw/zinc/58/63/26/567586326.db2.gz LSYTWBSDMCANIL-OKZBNKHCSA-N 1 0 387.277 3.206 20 30 GGEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000530234043 567586417 /nfs/dbraw/zinc/58/64/17/567586417.db2.gz LSYTWBSDMCANIL-FGTMMUONSA-N 1 0 387.277 3.206 20 30 GGEDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000480372690 567599750 /nfs/dbraw/zinc/59/97/50/567599750.db2.gz SKINYPMYZCQBDG-UHFFFAOYSA-N 1 0 375.270 3.086 20 30 GGEDRO Cc1ccc2c(ncc(C#N)c2NCC[N@@H+]2CCCOCC2)c1Br ZINC000530426931 567601611 /nfs/dbraw/zinc/60/16/11/567601611.db2.gz WZOAUGAXEZYUFM-UHFFFAOYSA-N 1 0 389.297 3.312 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNc3nc(C#N)c(Cl)s3)cc2)C[C@H](C)O1 ZINC000596077671 567607542 /nfs/dbraw/zinc/60/75/42/567607542.db2.gz AKSHVXYBOWJHTN-STQMWFEESA-N 1 0 376.913 3.311 20 30 GGEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000552836908 567613740 /nfs/dbraw/zinc/61/37/40/567613740.db2.gz ZQFBACUHVJVEEZ-KDOFPFPSSA-N 1 0 389.293 3.281 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000622006252 567630631 /nfs/dbraw/zinc/63/06/31/567630631.db2.gz XCDOMHWXZDOUPC-KBXCAEBGSA-N 1 0 381.314 3.336 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCCc2nc3cc(Cl)ccc3s2)CC1 ZINC000531022951 567637375 /nfs/dbraw/zinc/63/73/75/567637375.db2.gz DHNJJEYMMLRMRO-UHFFFAOYSA-N 1 0 378.929 3.442 20 30 GGEDRO N#Cc1csc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459702921 567651212 /nfs/dbraw/zinc/65/12/12/567651212.db2.gz OMLSQPOOMXFKCH-CYBMUJFWSA-N 1 0 383.286 3.462 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000459720386 567654920 /nfs/dbraw/zinc/65/49/20/567654920.db2.gz UUHXIRKYKJYTCH-HNNXBMFYSA-N 1 0 392.297 3.492 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000459720388 567654939 /nfs/dbraw/zinc/65/49/39/567654939.db2.gz UUHXIRKYKJYTCH-OAHLLOKOSA-N 1 0 392.297 3.492 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccncc1Br)C(C)C ZINC000507230511 567668931 /nfs/dbraw/zinc/66/89/31/567668931.db2.gz IAEKWCQBQBXJLL-MRXNPFEDSA-N 1 0 381.318 3.086 20 30 GGEDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000507245240 567669762 /nfs/dbraw/zinc/66/97/62/567669762.db2.gz XIPXIXZNAVTMPV-CQSZACIVSA-N 1 0 377.897 3.149 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cncc(Br)c1 ZINC000572900542 567674288 /nfs/dbraw/zinc/67/42/88/567674288.db2.gz INPCQYHKCMABKY-FZKQIMNGSA-N 1 0 399.292 3.167 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]2c2ccc(Br)c(F)c2)C(N)=O)cc1 ZINC000481610025 567691956 /nfs/dbraw/zinc/69/19/56/567691956.db2.gz OFUUYPJRABXPCS-XKQJLSEDSA-N 1 0 388.240 3.132 20 30 GGEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2ccc(Br)cc2C#N)C[C@@H](C)O1 ZINC000553863387 567693704 /nfs/dbraw/zinc/69/37/04/567693704.db2.gz PWDJMYNKTKHGIC-CLCXKQKWSA-N 1 0 392.341 3.394 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481726135 567698668 /nfs/dbraw/zinc/69/86/68/567698668.db2.gz PSRWTMBYRKFPGD-MEBBXXQBSA-N 1 0 398.276 3.029 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000553921007 567699579 /nfs/dbraw/zinc/69/95/79/567699579.db2.gz GTNKVSOAGNYBGR-UHFFFAOYSA-N 1 0 388.256 3.177 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481737347 567700295 /nfs/dbraw/zinc/70/02/95/567700295.db2.gz DBBBDRNOIRANNB-QGZVFWFLSA-N 1 0 382.277 3.391 20 30 GGEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000442771614 567708604 /nfs/dbraw/zinc/70/86/04/567708604.db2.gz UHOVTOGJZWHKJQ-GXTWGEPZSA-N 1 0 385.327 3.283 20 30 GGEDRO N#Cc1cc(Cl)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000597620125 567708942 /nfs/dbraw/zinc/70/89/42/567708942.db2.gz MOCOZSHKOWQUQD-CQSZACIVSA-N 1 0 382.291 3.192 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443094208 567731649 /nfs/dbraw/zinc/73/16/49/567731649.db2.gz CIVXZSSCMDKSIL-GASCZTMLSA-N 1 0 383.945 3.248 20 30 GGEDRO C=C(C)CN1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000573834342 567738688 /nfs/dbraw/zinc/73/86/88/567738688.db2.gz ZITJTCDTRVWECQ-UHFFFAOYSA-N 1 0 380.330 3.408 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000443346947 567751003 /nfs/dbraw/zinc/75/10/03/567751003.db2.gz NTZKWAPKUKXZCV-LLVKDONJSA-N 1 0 378.295 3.349 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000462045236 567762238 /nfs/dbraw/zinc/76/22/38/567762238.db2.gz BQRMZKMAONYQJT-UHFFFAOYSA-N 1 0 395.297 3.006 20 30 GGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000462044098 567762434 /nfs/dbraw/zinc/76/24/34/567762434.db2.gz DKOYBCCHQPAHGQ-LSDHHAIUSA-N 1 0 389.277 3.365 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000533506473 567771419 /nfs/dbraw/zinc/77/14/19/567771419.db2.gz MYBILFWMAGBFEC-UHFFFAOYSA-N 1 0 389.297 3.074 20 30 GGEDRO C[C@H](C#N)CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000555196731 567773621 /nfs/dbraw/zinc/77/36/21/567773621.db2.gz DDZLTQOTXZGRFG-CQSZACIVSA-N 1 0 393.329 3.215 20 30 GGEDRO C[C@@H](C#N)CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000555196730 567774261 /nfs/dbraw/zinc/77/42/61/567774261.db2.gz DDZLTQOTXZGRFG-AWEZNQCLSA-N 1 0 393.329 3.215 20 30 GGEDRO C=CCOc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000533563020 567775396 /nfs/dbraw/zinc/77/53/96/567775396.db2.gz AYTIDBNELMRRPT-UHFFFAOYSA-N 1 0 386.926 3.034 20 30 GGEDRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598597563 567778603 /nfs/dbraw/zinc/77/86/03/567778603.db2.gz YRPQOYZFWAMLLE-MAUKXSAKSA-N 1 0 394.357 3.428 20 30 GGEDRO COC(=O)C[C@@](C)([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000598617450 567780098 /nfs/dbraw/zinc/78/00/98/567780098.db2.gz ROAOKIPJWKXCOJ-MAUKXSAKSA-N 1 0 397.313 3.118 20 30 GGEDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2Br)ccc1C#N ZINC000444000460 567784522 /nfs/dbraw/zinc/78/45/22/567784522.db2.gz DYBXWVAHVZWTBC-INIZCTEOSA-N 1 0 375.266 3.159 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000598726593 567785878 /nfs/dbraw/zinc/78/58/78/567785878.db2.gz UNFKXQUNZHKFES-CYBMUJFWSA-N 1 0 392.668 3.335 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000598727773 567785667 /nfs/dbraw/zinc/78/56/67/567785667.db2.gz ZNGNSZQAOOSKDS-GOSISDBHSA-N 1 0 394.357 3.304 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000598722718 567786069 /nfs/dbraw/zinc/78/60/69/567786069.db2.gz CQIXVHUDFLGBIR-LBPRGKRZSA-N 1 0 379.810 3.413 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H](F)C[C@H]2C[NH2+]C)cc1OC ZINC000647539606 567791117 /nfs/dbraw/zinc/79/11/17/567791117.db2.gz WRXCILGLPQKTJL-KBPBESRZSA-N 1 0 387.293 3.154 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2ncc(C)cn2)cc1OC ZINC000533920995 567793930 /nfs/dbraw/zinc/79/39/30/567793930.db2.gz JZOVPMUMQRKZFI-UHFFFAOYSA-N 1 0 392.297 3.453 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1OC ZINC000534092993 567799756 /nfs/dbraw/zinc/79/97/56/567799756.db2.gz HWLRAVKXKMGYOE-AWEZNQCLSA-N 1 0 398.219 3.425 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000668368771 567808117 /nfs/dbraw/zinc/80/81/17/567808117.db2.gz GJZZCOVUDPWRAQ-UHFFFAOYSA-N 1 0 381.314 3.373 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000032831182 570845160 /nfs/dbraw/zinc/84/51/60/570845160.db2.gz AZQHXPBRXMNQDN-IRXDYDNUSA-N 1 0 378.476 3.489 20 30 GGEDRO CC1(C)C[S@](=O)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000170599842 570857721 /nfs/dbraw/zinc/85/77/21/570857721.db2.gz FJDFFUCWVVYYFG-AREMUKBSSA-N 1 0 393.578 3.060 20 30 GGEDRO CC1(C)C[S@@](=O)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000170599841 570857928 /nfs/dbraw/zinc/85/79/28/570857928.db2.gz FJDFFUCWVVYYFG-SANMLTNESA-N 1 0 393.578 3.060 20 30 GGEDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1)cc2=O ZINC000103427204 570884986 /nfs/dbraw/zinc/88/49/86/570884986.db2.gz NTBMFRPSKBZROU-CQSZACIVSA-N 1 0 393.447 3.066 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000047011176 570937838 /nfs/dbraw/zinc/93/78/38/570937838.db2.gz ALPGXXPIOIJDPR-HXUWFJFHSA-N 1 0 383.879 3.106 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000047011174 570938070 /nfs/dbraw/zinc/93/80/70/570938070.db2.gz ALPGXXPIOIJDPR-FQEVSTJZSA-N 1 0 383.879 3.106 20 30 GGEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000735425757 599130340 /nfs/dbraw/zinc/13/03/40/599130340.db2.gz FKYGFVALFDDKRP-KRWDZBQOSA-N 1 0 398.511 3.112 20 30 GGEDRO C=CCOc1ccc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)cc1 ZINC000735436778 598362055 /nfs/dbraw/zinc/36/20/55/598362055.db2.gz QVCTYZJNYODRGS-UHFFFAOYSA-N 1 0 381.505 3.455 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820413515 599389655 /nfs/dbraw/zinc/38/96/55/599389655.db2.gz RGGLUNWNOYWPFY-RYUDHWBXSA-N 1 0 395.854 3.070 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000736813360 600593543 /nfs/dbraw/zinc/59/35/43/600593543.db2.gz DJAQSZWXJXPOQN-HYFFOGBASA-N 1 0 393.487 3.083 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738004990 600596547 /nfs/dbraw/zinc/59/65/47/600596547.db2.gz YXZDAYHIDBSPKX-JOCHJYFZSA-N 1 0 393.487 3.194 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832315388 601303191 /nfs/dbraw/zinc/30/31/91/601303191.db2.gz YGZRYBBBVKWVOL-JOCHJYFZSA-N 1 0 393.487 3.194 20 30 GGEDRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000826182732 607519420 /nfs/dbraw/zinc/51/94/20/607519420.db2.gz SCAKTUQCIRNFKP-UHFFFAOYSA-N 1 0 376.464 3.405 20 30 GGEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1Cl ZINC000823932082 607566746 /nfs/dbraw/zinc/56/67/46/607566746.db2.gz NKBAYVPUNJIREP-UHFFFAOYSA-N 1 0 385.855 3.383 20 30 GGEDRO Clc1ccc(C#CC[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000822574350 606108708 /nfs/dbraw/zinc/10/87/08/606108708.db2.gz SEYSSZKMUJLHCH-UHFFFAOYSA-N 1 0 392.894 3.084 20 30 GGEDRO N#CC1(c2ccccc2)CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826380889 608280744 /nfs/dbraw/zinc/28/07/44/608280744.db2.gz PNWRSQCRNNNPLS-UHFFFAOYSA-N 1 0 388.475 3.239 20 30 GGEDRO C=CCOc1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000823932387 608602689 /nfs/dbraw/zinc/60/26/89/608602689.db2.gz WJSKULXGQFUGQU-UHFFFAOYSA-N 1 0 391.475 3.475 20 30 GGEDRO C=CCOc1cccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823932416 608680037 /nfs/dbraw/zinc/68/00/37/608680037.db2.gz XOFCBKAJZGGSQZ-UHFFFAOYSA-N 1 0 391.475 3.475 20 30 GGEDRO N#Cc1ccc(OCC[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000053049293 1406272902 /nfs/dbraw/zinc/27/29/02/1406272902.db2.gz PWVCDSSVLOFKRV-UHFFFAOYSA-N 1 0 381.451 3.105 20 30 GGEDRO N#Cc1cccc(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000053150343 1406308593 /nfs/dbraw/zinc/30/85/93/1406308593.db2.gz YXOHAFRZPRPERT-UHFFFAOYSA-N 1 0 393.516 3.420 20 30 GGEDRO CC(C)CC[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000053366053 1406377859 /nfs/dbraw/zinc/37/78/59/1406377859.db2.gz GHBUAFKNAWUAAC-KRWDZBQOSA-N 1 0 386.540 3.334 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000053404921 1406386812 /nfs/dbraw/zinc/38/68/12/1406386812.db2.gz AOUVQUNKMFKINT-QGZVFWFLSA-N 1 0 387.524 3.353 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000053676677 1406476834 /nfs/dbraw/zinc/47/68/34/1406476834.db2.gz JOLXDFYTZHVOFO-UHFFFAOYSA-N 1 0 392.503 3.201 20 30 GGEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1OC ZINC000053990702 1406578859 /nfs/dbraw/zinc/57/88/59/1406578859.db2.gz ICGMDZLJUOFZGZ-UHFFFAOYSA-N 1 0 381.476 3.049 20 30 GGEDRO C=CCOc1ccccc1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000053996858 1406583169 /nfs/dbraw/zinc/58/31/69/1406583169.db2.gz HWCHEJHCRMILCF-UHFFFAOYSA-N 1 0 393.487 3.201 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3cccc(F)c3)CC2)cc1 ZINC000053999268 1406583954 /nfs/dbraw/zinc/58/39/54/1406583954.db2.gz YDTJTZIZPXJWAJ-UHFFFAOYSA-N 1 0 380.467 3.157 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000054338141 1406696215 /nfs/dbraw/zinc/69/62/15/1406696215.db2.gz XDHKMEDUSKIHGP-JTHBVZDNSA-N 1 0 380.488 3.174 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000054443621 1406737703 /nfs/dbraw/zinc/73/77/03/1406737703.db2.gz UTGBENMINBVLFD-IAGOWNOFSA-N 1 0 386.540 3.480 20 30 GGEDRO CSc1cccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054454782 1406741427 /nfs/dbraw/zinc/74/14/27/1406741427.db2.gz SBQBRIZCGJQYRW-UHFFFAOYSA-N 1 0 394.544 3.427 20 30 GGEDRO Cc1cccc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054454789 1406741963 /nfs/dbraw/zinc/74/19/63/1406741963.db2.gz GSPMQAXXHNCTGJ-IBGZPJMESA-N 1 0 376.504 3.402 20 30 GGEDRO CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000054605071 1406781426 /nfs/dbraw/zinc/78/14/26/1406781426.db2.gz RQTAOWWCLJWAHT-UHFFFAOYSA-N 1 0 380.492 3.230 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[NH+](CC(C)C)CC2)c1C#N ZINC000054610364 1406783941 /nfs/dbraw/zinc/78/39/41/1406783941.db2.gz OAOZPNZVUCODDX-UHFFFAOYSA-N 1 0 393.535 3.178 20 30 GGEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)o1 ZINC000054710821 1406811213 /nfs/dbraw/zinc/81/12/13/1406811213.db2.gz XAOKBZBDLNXYBS-UHFFFAOYSA-N 1 0 379.460 3.431 20 30 GGEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000054805804 1406829434 /nfs/dbraw/zinc/82/94/34/1406829434.db2.gz ITOYHGIVDNSPPT-IBGZPJMESA-N 1 0 397.567 3.290 20 30 GGEDRO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054868066 1406839418 /nfs/dbraw/zinc/83/94/18/1406839418.db2.gz YEHIYXHHRSIMKS-WOIUINJBSA-N 1 0 382.552 3.149 20 30 GGEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000054939387 1406853882 /nfs/dbraw/zinc/85/38/82/1406853882.db2.gz SCXMRHJVVUQIFH-KDOFPFPSSA-N 1 0 396.878 3.102 20 30 GGEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000054939385 1406854437 /nfs/dbraw/zinc/85/44/37/1406854437.db2.gz SCXMRHJVVUQIFH-KSSFIOAISA-N 1 0 396.878 3.102 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccccc1CC ZINC000054996362 1406866906 /nfs/dbraw/zinc/86/69/06/1406866906.db2.gz KQHMXFIESJJFMT-UHFFFAOYSA-O 1 0 383.493 3.022 20 30 GGEDRO CNC(=S)C(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[n+]1cccc(CO)c1 ZINC000055012531 1406870443 /nfs/dbraw/zinc/87/04/43/1406870443.db2.gz STDWFYZXLYFSOC-UHFFFAOYSA-O 1 0 389.500 3.196 20 30 GGEDRO COc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(N(C)C)cc2)cc1 ZINC000055014956 1406871221 /nfs/dbraw/zinc/87/12/21/1406871221.db2.gz CHMHPTCFCCQEDC-UHFFFAOYSA-O 1 0 386.541 3.376 20 30 GGEDRO Cc1ccccc1NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055102330 1406885730 /nfs/dbraw/zinc/88/57/30/1406885730.db2.gz FGOJMDULSQUIQG-IBGZPJMESA-N 1 0 376.504 3.402 20 30 GGEDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000055309815 1406926406 /nfs/dbraw/zinc/92/64/06/1406926406.db2.gz YCVCYEGDXUFTCZ-UHFFFAOYSA-N 1 0 395.478 3.373 20 30 GGEDRO COc1ccc(N2CC[NH+](CCCNc3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 ZINC000007366821 1398661475 /nfs/dbraw/zinc/66/14/75/1398661475.db2.gz WIUKWDICYONPNX-UHFFFAOYSA-N 1 0 395.463 3.099 20 30 GGEDRO COC(=O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000007636425 1398719094 /nfs/dbraw/zinc/71/90/94/1398719094.db2.gz FIEZUWXYLSQXQO-UHFFFAOYSA-N 1 0 389.521 3.102 20 30 GGEDRO C=CCn1c(SCC(=O)NC2CC[NH+](CC)CC2)nnc1-c1cccc(C)c1 ZINC000010241163 1398882381 /nfs/dbraw/zinc/88/23/81/1398882381.db2.gz PPVOESFFLXTQEQ-UHFFFAOYSA-N 1 0 399.564 3.132 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000010745150 1398916849 /nfs/dbraw/zinc/91/68/49/1398916849.db2.gz IJAFRMPDEBUJEN-JOCHJYFZSA-N 1 0 377.488 3.453 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000017317750 1399278605 /nfs/dbraw/zinc/27/86/05/1399278605.db2.gz SGTPKPYJIXZKHR-UHFFFAOYSA-N 1 0 398.528 3.163 20 30 GGEDRO COc1ccc(CNC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017517679 1399284633 /nfs/dbraw/zinc/28/46/33/1399284633.db2.gz RWQATGYLUMFOPR-UHFFFAOYSA-N 1 0 394.544 3.149 20 30 GGEDRO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000017911441 1399294399 /nfs/dbraw/zinc/29/43/99/1399294399.db2.gz OKSJCJPTFMTSQY-VGSWGCGISA-N 1 0 393.487 3.287 20 30 GGEDRO C[C@H](C(=O)Nc1c(F)cccc1F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406220 1399379197 /nfs/dbraw/zinc/37/91/97/1399379197.db2.gz FABFCZSZFDKHEF-MRXNPFEDSA-N 1 0 398.457 3.371 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc2c(c1)OCCO2 ZINC000022199053 1399444740 /nfs/dbraw/zinc/44/47/40/1399444740.db2.gz RCABNOWIWMHYAZ-UHFFFAOYSA-N 1 0 397.500 3.340 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(N(C)C)cc1 ZINC000022687596 1399491828 /nfs/dbraw/zinc/49/18/28/1399491828.db2.gz FKWBNJRIFOBBBX-UHFFFAOYSA-O 1 0 376.452 3.033 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1CC ZINC000022688044 1399491835 /nfs/dbraw/zinc/49/18/35/1399491835.db2.gz LLGJDVOCBYEBRV-UHFFFAOYSA-O 1 0 384.481 3.468 20 30 GGEDRO CNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc2c(c1)CCCC2 ZINC000022734667 1399496238 /nfs/dbraw/zinc/49/62/38/1399496238.db2.gz PUPJSFMXTYHVBP-UHFFFAOYSA-O 1 0 384.481 3.228 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc2c(c1)CCCC2 ZINC000022794296 1399504041 /nfs/dbraw/zinc/50/40/41/1399504041.db2.gz ZVMXIFSSCBQQSJ-UHFFFAOYSA-O 1 0 389.566 3.398 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NCCOC)cc1 ZINC000022792815 1399504068 /nfs/dbraw/zinc/50/40/68/1399504068.db2.gz LPXNFPIPGRIAHT-UHFFFAOYSA-O 1 0 383.946 3.426 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NCCOC)cc1 ZINC000022794133 1399504174 /nfs/dbraw/zinc/50/41/74/1399504174.db2.gz OCRVTJKWBVHGAY-UHFFFAOYSA-O 1 0 383.537 3.200 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(N(C)C)cc1 ZINC000022795453 1399504328 /nfs/dbraw/zinc/50/43/28/1399504328.db2.gz CPOJVZXMZKIGOP-UHFFFAOYSA-O 1 0 399.496 3.053 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022798885 1399504970 /nfs/dbraw/zinc/50/49/70/1399504970.db2.gz IFMPXUABGNEOMU-UHFFFAOYSA-O 1 0 384.525 3.153 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(N(C)C)cc1 ZINC000022797509 1399505042 /nfs/dbraw/zinc/50/50/42/1399505042.db2.gz FSQYVQUEWSPLAX-UHFFFAOYSA-O 1 0 385.557 3.100 20 30 GGEDRO CCCNC(=S)C(C(=O)c1c(C)[nH]c(C(=O)OCC)c1C)[n+]1ccccc1 ZINC000022806207 1399506316 /nfs/dbraw/zinc/50/63/16/1399506316.db2.gz SPPNTNUFZKHGCF-UHFFFAOYSA-O 1 0 388.513 3.034 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(N(C)C)cc1 ZINC000022804581 1399506320 /nfs/dbraw/zinc/50/63/20/1399506320.db2.gz GRZWHGOPFXIXNM-UHFFFAOYSA-O 1 0 378.468 3.257 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000022983171 1399521132 /nfs/dbraw/zinc/52/11/32/1399521132.db2.gz MMDYQZQYSDIRGY-UHFFFAOYSA-N 1 0 386.496 3.295 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)Cc1ccccc1 ZINC000023196997 1399538477 /nfs/dbraw/zinc/53/84/77/1399538477.db2.gz GIYFNXDSLSHKLL-NQIIRXRSSA-N 1 0 379.504 3.395 20 30 GGEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)cc1 ZINC000023245015 1399543475 /nfs/dbraw/zinc/54/34/75/1399543475.db2.gz GKZUMMHNTKZCPI-GOSISDBHSA-N 1 0 393.487 3.069 20 30 GGEDRO C=CCn1c(C)nnc1S[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023516123 1399567405 /nfs/dbraw/zinc/56/74/05/1399567405.db2.gz KUFKKNJSYPWKOK-INIZCTEOSA-N 1 0 399.564 3.034 20 30 GGEDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000023674813 1399579023 /nfs/dbraw/zinc/57/90/23/1399579023.db2.gz YSFKRPFXHPQBQC-AVRDEDQJSA-N 1 0 382.460 3.056 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CCc2ccc(OCC)cc2)CC1 ZINC000024814293 1399675568 /nfs/dbraw/zinc/67/55/68/1399675568.db2.gz AXRUNFHWRDPYGY-QGZVFWFLSA-N 1 0 387.524 3.130 20 30 GGEDRO COc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000025061401 1399730093 /nfs/dbraw/zinc/73/00/93/1399730093.db2.gz KXSBLYFSXCLZFP-UHFFFAOYSA-N 1 0 391.471 3.490 20 30 GGEDRO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000025303973 1399793799 /nfs/dbraw/zinc/79/37/99/1399793799.db2.gz UWFACWOLJJESNP-QHCPKHFHSA-N 1 0 393.531 3.123 20 30 GGEDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000025303987 1399794263 /nfs/dbraw/zinc/79/42/63/1399794263.db2.gz GCIIGLIYGCTKBJ-QHCPKHFHSA-N 1 0 393.531 3.123 20 30 GGEDRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000025303977 1399794355 /nfs/dbraw/zinc/79/43/55/1399794355.db2.gz UWFACWOLJJESNP-HSZRJFAPSA-N 1 0 393.531 3.123 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c(OC)c1 ZINC000025368894 1399803351 /nfs/dbraw/zinc/80/33/51/1399803351.db2.gz HDIASFNYMPLHKK-SFHVURJKSA-N 1 0 385.460 3.024 20 30 GGEDRO C=CCOc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000025637990 1399824819 /nfs/dbraw/zinc/82/48/19/1399824819.db2.gz ORTGNDMYRDEYSC-KRWDZBQOSA-N 1 0 380.488 3.437 20 30 GGEDRO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867252 1399842587 /nfs/dbraw/zinc/84/25/87/1399842587.db2.gz VBBGCSMLFDCXAB-QGZVFWFLSA-N 1 0 376.403 3.226 20 30 GGEDRO C=CCc1ccc(OCC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000025940647 1399848194 /nfs/dbraw/zinc/84/81/94/1399848194.db2.gz NCCCBBSWQQWCIC-SFHVURJKSA-N 1 0 394.515 3.366 20 30 GGEDRO N#Cc1ccnc(N2CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000025941151 1399848565 /nfs/dbraw/zinc/84/85/65/1399848565.db2.gz BDYNICACJKQFBZ-UHFFFAOYSA-N 1 0 385.471 3.257 20 30 GGEDRO CCOc1ccccc1N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000026162111 1399865199 /nfs/dbraw/zinc/86/51/99/1399865199.db2.gz YEHZWMSUPUMPBJ-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000026297905 1399876353 /nfs/dbraw/zinc/87/63/53/1399876353.db2.gz XUDGZUISOTWEIX-NTKDMRAZSA-N 1 0 392.547 3.400 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000026297909 1399876552 /nfs/dbraw/zinc/87/65/52/1399876552.db2.gz XUDGZUISOTWEIX-CYFREDJKSA-N 1 0 392.547 3.400 20 30 GGEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3C)CC2)c(C#N)c1C ZINC000026762588 1399931095 /nfs/dbraw/zinc/93/10/95/1399931095.db2.gz LDXDJSGNVZZKRT-QGZVFWFLSA-N 1 0 380.492 3.221 20 30 GGEDRO CCNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc2c(c1)CCCC2 ZINC000027056978 1399975561 /nfs/dbraw/zinc/97/55/61/1399975561.db2.gz DMRYAGIERCFATN-UHFFFAOYSA-O 1 0 399.536 3.418 20 30 GGEDRO CCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc2c(c1)CCCC2 ZINC000027055372 1399975620 /nfs/dbraw/zinc/97/56/20/1399975620.db2.gz ATDPPUROTAKFDC-UHFFFAOYSA-O 1 0 381.521 3.336 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccc(CC)cc1 ZINC000027059320 1399976194 /nfs/dbraw/zinc/97/61/94/1399976194.db2.gz ZAJMIGDLSUAHSJ-UHFFFAOYSA-O 1 0 382.509 3.209 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccccc1CC ZINC000027059259 1399976328 /nfs/dbraw/zinc/97/63/28/1399976328.db2.gz OCOLMURFCNXNLG-UHFFFAOYSA-O 1 0 385.509 3.268 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(C)cc1 ZINC000027307806 1400018077 /nfs/dbraw/zinc/01/80/77/1400018077.db2.gz BOTVPMDXFIEFFC-UHFFFAOYSA-O 1 0 383.537 3.336 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(N(C)C)cc1 ZINC000027311507 1400018085 /nfs/dbraw/zinc/01/80/85/1400018085.db2.gz RJRWFSLJKKHQTR-UHFFFAOYSA-O 1 0 384.525 3.153 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccccc1CC ZINC000027311484 1400018113 /nfs/dbraw/zinc/01/81/13/1400018113.db2.gz HQTUTIRMAXQDHN-UHFFFAOYSA-O 1 0 383.493 3.370 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC2CCCCC2)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000027329200 1400019437 /nfs/dbraw/zinc/01/94/37/1400019437.db2.gz UQSMAQVAZASWDG-UHFFFAOYSA-O 1 0 386.541 3.272 20 30 GGEDRO COc1cccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2cccc(CO)c2)c1 ZINC000027329074 1400019497 /nfs/dbraw/zinc/01/94/97/1400019497.db2.gz LVGCSCHXTTZLAU-UHFFFAOYSA-O 1 0 399.536 3.336 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[n+]1ccccc1 ZINC000027324982 1400019583 /nfs/dbraw/zinc/01/95/83/1400019583.db2.gz CCLNGSCMLFEHTA-UHFFFAOYSA-O 1 0 388.513 3.034 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000027342613 1400022432 /nfs/dbraw/zinc/02/24/32/1400022432.db2.gz CSXHOVKDMHMBFT-JOCHJYFZSA-N 1 0 377.488 3.453 20 30 GGEDRO COc1cccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000027342616 1400022995 /nfs/dbraw/zinc/02/29/95/1400022995.db2.gz CSXHOVKDMHMBFT-QFIPXVFZSA-N 1 0 377.488 3.453 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[NH+](C(C)C)CC2)c1C#N ZINC000027421620 1400037306 /nfs/dbraw/zinc/03/73/06/1400037306.db2.gz KQILHFBYCKSQHW-UHFFFAOYSA-N 1 0 397.498 3.069 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CC[NH+](C(C)C)CC2)c1C#N ZINC000027422087 1400037415 /nfs/dbraw/zinc/03/74/15/1400037415.db2.gz VXNSRUSXMTXALG-UHFFFAOYSA-N 1 0 397.498 3.069 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[NH+](C(C)C)CC2)c1C#N ZINC000027421615 1400037451 /nfs/dbraw/zinc/03/74/51/1400037451.db2.gz LLCOZPKPJAFETI-UHFFFAOYSA-N 1 0 385.556 3.446 20 30 GGEDRO CSCCCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1 ZINC000027481583 1400046363 /nfs/dbraw/zinc/04/63/63/1400046363.db2.gz DXEOKUXWPWZGPP-UHFFFAOYSA-O 1 0 390.510 3.164 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000027570268 1400059197 /nfs/dbraw/zinc/05/91/97/1400059197.db2.gz DMOWKLDQOKEJHC-LAUBAEHRSA-N 1 0 393.487 3.287 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000027570265 1400059510 /nfs/dbraw/zinc/05/95/10/1400059510.db2.gz DMOWKLDQOKEJHC-UTKZUKDTSA-N 1 0 393.487 3.287 20 30 GGEDRO C=CCc1cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000027587101 1400062774 /nfs/dbraw/zinc/06/27/74/1400062774.db2.gz ANHZAMGZEFGIIA-FQEVSTJZSA-N 1 0 382.504 3.335 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000055757796 1407076203 /nfs/dbraw/zinc/07/62/03/1407076203.db2.gz SRZUCSGTZZFYGH-OKZBNKHCSA-N 1 0 387.524 3.208 20 30 GGEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000028017748 1400119087 /nfs/dbraw/zinc/11/90/87/1400119087.db2.gz HGGDSLNMOCZXGP-LJQANCHMSA-N 1 0 377.488 3.312 20 30 GGEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000028017743 1400119432 /nfs/dbraw/zinc/11/94/32/1400119432.db2.gz HGGDSLNMOCZXGP-IBGZPJMESA-N 1 0 377.488 3.312 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(F)cc4c3OCOC4)CC2)cc1 ZINC000028154920 1400134905 /nfs/dbraw/zinc/13/49/05/1400134905.db2.gz WAHVJFXECBMRQN-UHFFFAOYSA-N 1 0 381.451 3.272 20 30 GGEDRO COc1ccccc1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028690848 1400185873 /nfs/dbraw/zinc/18/58/73/1400185873.db2.gz RCJCZHAPUMCYEF-UHFFFAOYSA-N 1 0 377.488 3.234 20 30 GGEDRO N#Cc1ccc(CN2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000028735372 1400190179 /nfs/dbraw/zinc/19/01/79/1400190179.db2.gz USHQSQNYSPRKBZ-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO N#Cc1ccc(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000028843066 1400202684 /nfs/dbraw/zinc/20/26/84/1400202684.db2.gz JLZBASYWNBSKII-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO N#Cc1ccc(NC(=O)CCN2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000028893464 1400208036 /nfs/dbraw/zinc/20/80/36/1400208036.db2.gz BNMFEVBKBABYND-UHFFFAOYSA-N 1 0 396.922 3.401 20 30 GGEDRO CCOc1ccc(CN2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000028893020 1400208267 /nfs/dbraw/zinc/20/82/67/1400208267.db2.gz AHIGZUIKGVHWAT-UHFFFAOYSA-N 1 0 392.503 3.103 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1OC(F)F ZINC000028922057 1400211680 /nfs/dbraw/zinc/21/16/80/1400211680.db2.gz PDLSJDFCKZBPMX-ZBFHGGJFSA-N 1 0 376.403 3.445 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000028960364 1400216699 /nfs/dbraw/zinc/21/66/99/1400216699.db2.gz ZLKSNQNRNUAJHO-UHFFFAOYSA-N 1 0 396.922 3.036 20 30 GGEDRO Cc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000028960615 1400216793 /nfs/dbraw/zinc/21/67/93/1400216793.db2.gz QAJDJQBWAIMXES-UHFFFAOYSA-N 1 0 376.504 3.322 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000029140707 1400247356 /nfs/dbraw/zinc/24/73/56/1400247356.db2.gz KDLIHYBDMMHUDP-UHFFFAOYSA-N 1 0 398.488 3.005 20 30 GGEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)/C=C/c3ccccc3C#N)CC2)cc1 ZINC000029826307 1400358795 /nfs/dbraw/zinc/35/87/95/1400358795.db2.gz CBYRNKMJFAGPBW-FMIVXFBMSA-N 1 0 375.472 3.315 20 30 GGEDRO Cc1cccc(C(=O)N2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000029851644 1400364021 /nfs/dbraw/zinc/36/40/21/1400364021.db2.gz BSNDPMCKTNGWQV-UHFFFAOYSA-N 1 0 390.487 3.043 20 30 GGEDRO Cc1cccc(C(=O)N2CCC[N@H+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000029851652 1400364251 /nfs/dbraw/zinc/36/42/51/1400364251.db2.gz XSDLHWCVGUOOPN-UHFFFAOYSA-N 1 0 390.487 3.043 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)N(C)C2(C#N)CCCCC2)C[C@H](C)O1 ZINC000055869780 1407109702 /nfs/dbraw/zinc/10/97/02/1407109702.db2.gz JCQGCQWQQJWUIG-OALUTQOASA-N 1 0 398.551 3.393 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)Nc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000055870011 1407110501 /nfs/dbraw/zinc/11/05/01/1407110501.db2.gz KZPWYKRLHXRPCC-HDICACEKSA-N 1 0 392.503 3.412 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)NC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000055870035 1407110999 /nfs/dbraw/zinc/11/09/99/1407110999.db2.gz NPTOYSMYTLBAIR-ROUUACIJSA-N 1 0 384.524 3.050 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000055996704 1407165452 /nfs/dbraw/zinc/16/54/52/1407165452.db2.gz CGQHTOKSWHOLGC-FGZHOGPDSA-N 1 0 375.472 3.494 20 30 GGEDRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056171858 1407239767 /nfs/dbraw/zinc/23/97/67/1407239767.db2.gz XVRMAWFMFIOCFA-JKSUJKDBSA-N 1 0 397.475 3.270 20 30 GGEDRO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccccc3C#N)c(C)c2)CC1 ZINC000056170227 1407238365 /nfs/dbraw/zinc/23/83/65/1407238365.db2.gz MLECBXAJIILTCN-GOSISDBHSA-N 1 0 391.519 3.448 20 30 GGEDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056171857 1407239389 /nfs/dbraw/zinc/23/93/89/1407239389.db2.gz XVRMAWFMFIOCFA-CVEARBPZSA-N 1 0 397.475 3.270 20 30 GGEDRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056171859 1407239534 /nfs/dbraw/zinc/23/95/34/1407239534.db2.gz XVRMAWFMFIOCFA-HZPDHXFCSA-N 1 0 397.475 3.270 20 30 GGEDRO N#Cc1ccc(OCC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000056479061 1407344274 /nfs/dbraw/zinc/34/42/74/1407344274.db2.gz SYJMIBSPUHQGID-UHFFFAOYSA-N 1 0 390.487 3.108 20 30 GGEDRO CN1CC[N@H+](CCCNC(=O)Nc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000043329541 1403748342 /nfs/dbraw/zinc/74/83/42/1403748342.db2.gz BYFKESIRMGLZCP-NRFANRHFSA-N 1 0 377.492 3.059 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000043329623 1403748405 /nfs/dbraw/zinc/74/84/05/1403748405.db2.gz BNBZNYFGYXXAEL-IAGOWNOFSA-N 1 0 378.476 3.489 20 30 GGEDRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000043330801 1403748428 /nfs/dbraw/zinc/74/84/28/1403748428.db2.gz MEKSIJGZMDTINI-UHFFFAOYSA-N 1 0 394.475 3.315 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3cccc(C#N)c3)c(C)c2)CC1 ZINC000043522558 1403779291 /nfs/dbraw/zinc/77/92/91/1403779291.db2.gz BXGXLOTYCKCDPA-UHFFFAOYSA-N 1 0 377.492 3.330 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(C)C ZINC000043871099 1403837309 /nfs/dbraw/zinc/83/73/09/1403837309.db2.gz NUHKHCFIAPTTHG-QAPCUYQASA-N 1 0 386.496 3.226 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1cccc(C)c1 ZINC000044558063 1403950597 /nfs/dbraw/zinc/95/05/97/1403950597.db2.gz KQQRSJLXOHAASO-UHFFFAOYSA-O 1 0 396.536 3.496 20 30 GGEDRO CC(=O)Nc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000044566371 1403951337 /nfs/dbraw/zinc/95/13/37/1403951337.db2.gz PRUIHXBBVSTEIN-UHFFFAOYSA-N 1 0 378.476 3.029 20 30 GGEDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000045004543 1404035489 /nfs/dbraw/zinc/03/54/89/1404035489.db2.gz PNLZIWTZLGGXFU-ICSRJNTNSA-N 1 0 382.460 3.152 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2cccc(C#N)c2)C1 ZINC000045077540 1404049534 /nfs/dbraw/zinc/04/95/34/1404049534.db2.gz RIXBEDLZASJJSH-SFHVURJKSA-N 1 0 377.488 3.485 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccccc2)CC1 ZINC000045376845 1404109884 /nfs/dbraw/zinc/10/98/84/1404109884.db2.gz ILTHIAOBPYVXIP-UHFFFAOYSA-N 1 0 376.504 3.363 20 30 GGEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045432805 1404120903 /nfs/dbraw/zinc/12/09/03/1404120903.db2.gz BEBJYAKGQMWGRP-UHFFFAOYSA-N 1 0 379.426 3.327 20 30 GGEDRO CO[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000045578736 1404151375 /nfs/dbraw/zinc/15/13/75/1404151375.db2.gz JWEMGIBWRYGUDF-JOCHJYFZSA-N 1 0 392.503 3.163 20 30 GGEDRO CO[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000045578734 1404151495 /nfs/dbraw/zinc/15/14/95/1404151495.db2.gz JWEMGIBWRYGUDF-QFIPXVFZSA-N 1 0 392.503 3.163 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(Cl)c(C(N)=O)c1)C(C)C ZINC000045702168 1404181731 /nfs/dbraw/zinc/18/17/31/1404181731.db2.gz YQCIBSWAMICPJQ-QGZVFWFLSA-N 1 0 378.904 3.259 20 30 GGEDRO C=CCN(Cc1ccccc1)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000045782435 1404202919 /nfs/dbraw/zinc/20/29/19/1404202919.db2.gz VMDSNQIDTBPBOU-UHFFFAOYSA-N 1 0 392.547 3.332 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000045782829 1404203692 /nfs/dbraw/zinc/20/36/92/1404203692.db2.gz RYZXPJGCZJNDKN-UHFFFAOYSA-N 1 0 398.576 3.393 20 30 GGEDRO C[C@H]1C[NH+](CCCNC(=O)c2ccccc2-c2ccccc2C#N)C[C@H](C)O1 ZINC000046327662 1404365412 /nfs/dbraw/zinc/36/54/12/1404365412.db2.gz QWHHUYRURSZMIM-ROUUACIJSA-N 1 0 377.488 3.454 20 30 GGEDRO C[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000046338807 1404370051 /nfs/dbraw/zinc/37/00/51/1404370051.db2.gz WRMFJGQELAXQLZ-MOPGFXCFSA-N 1 0 383.540 3.043 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)COc3ccccc3C#N)cc2)C1 ZINC000046596463 1404497754 /nfs/dbraw/zinc/49/77/54/1404497754.db2.gz VSEJTFMBFPAAEN-GOSISDBHSA-N 1 0 377.488 3.485 20 30 GGEDRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCCOc1ccc(C#N)cc1OC ZINC000046781747 1404587440 /nfs/dbraw/zinc/58/74/40/1404587440.db2.gz UKQIBLFVNMJZQA-KRWDZBQOSA-N 1 0 375.513 3.353 20 30 GGEDRO CC(C)Oc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000046824968 1404604275 /nfs/dbraw/zinc/60/42/75/1404604275.db2.gz GUTFCGHCGHAFLZ-UHFFFAOYSA-N 1 0 395.507 3.014 20 30 GGEDRO C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046831549 1404606126 /nfs/dbraw/zinc/60/61/26/1404606126.db2.gz OZTHNBNNWIWIQK-SIKLNZKXSA-N 1 0 398.551 3.371 20 30 GGEDRO C[C@H]1CCCC[C@H]1OCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000046830676 1404606241 /nfs/dbraw/zinc/60/62/41/1404606241.db2.gz KNQHYBVYXZNUNG-GHTZIAJQSA-N 1 0 386.540 3.227 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1OC ZINC000046933853 1404640182 /nfs/dbraw/zinc/64/01/82/1404640182.db2.gz UFQOKSSVAGJSAD-UHFFFAOYSA-N 1 0 395.503 3.260 20 30 GGEDRO COc1cc(/C=C/C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)ccc1OCC#N ZINC000046988576 1404662526 /nfs/dbraw/zinc/66/25/26/1404662526.db2.gz UTCFZAPWEFDRAO-SXAWMYDMSA-N 1 0 385.508 3.382 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccc(F)cc1 ZINC000047010328 1404673561 /nfs/dbraw/zinc/67/35/61/1404673561.db2.gz ZTUHIJONVGFUDD-UHFFFAOYSA-N 1 0 383.467 3.447 20 30 GGEDRO COc1cc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(OC)c1 ZINC000047011235 1404673753 /nfs/dbraw/zinc/67/37/53/1404673753.db2.gz WOVKMKFQQIQHSB-UHFFFAOYSA-N 1 0 395.503 3.098 20 30 GGEDRO Cc1ccn(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2)n1 ZINC000047011539 1404673954 /nfs/dbraw/zinc/67/39/54/1404673954.db2.gz YBXRBWVFSSBHCX-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000047010593 1404674521 /nfs/dbraw/zinc/67/45/21/1404674521.db2.gz GKKPJIQPYLJQHZ-UHFFFAOYSA-N 1 0 381.476 3.170 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000047011577 1404674711 /nfs/dbraw/zinc/67/47/11/1404674711.db2.gz GHTRHHQQUOAAGK-UHFFFAOYSA-N 1 0 391.450 3.291 20 30 GGEDRO Cc1nc2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2nc1C ZINC000047011774 1404675674 /nfs/dbraw/zinc/67/56/74/1404675674.db2.gz PPOGRQUJUSTSQZ-UHFFFAOYSA-N 1 0 387.487 3.322 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000047037829 1404684072 /nfs/dbraw/zinc/68/40/72/1404684072.db2.gz MFYIGBWQHUBJRH-ROUUACIJSA-N 1 0 387.572 3.221 20 30 GGEDRO CC[NH+]1CCN(Cc2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])cc2)CC1 ZINC000047272519 1404780266 /nfs/dbraw/zinc/78/02/66/1404780266.db2.gz JLLWGXHYHCTUSL-UHFFFAOYSA-N 1 0 379.464 3.216 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000047281190 1404785152 /nfs/dbraw/zinc/78/51/52/1404785152.db2.gz MFDTVJMQVLALBX-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO CO/N=C/c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000047455810 1404843124 /nfs/dbraw/zinc/84/31/24/1404843124.db2.gz NXUHHZBDICVDDA-XQNSMLJCSA-N 1 0 381.476 3.024 20 30 GGEDRO N#Cc1cc(NC(=O)N2CC[NH+](CC3CC3)CC2)ccc1OCC(F)(F)F ZINC000047521258 1404857143 /nfs/dbraw/zinc/85/71/43/1404857143.db2.gz WGDJAQDFJZFVOC-UHFFFAOYSA-N 1 0 382.386 3.059 20 30 GGEDRO CCC[N@H+](CC(=O)NCc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000047739961 1404913821 /nfs/dbraw/zinc/91/38/21/1404913821.db2.gz CXJYXAPRCJQQRU-UHFFFAOYSA-N 1 0 381.476 3.104 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000047748620 1404919804 /nfs/dbraw/zinc/91/98/04/1404919804.db2.gz FKLYDWKYUDHFFV-OAQYLSRUSA-N 1 0 378.476 3.203 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)NCC#Cc1ccccc1)[NH+]1CCCC1 ZINC000047914899 1404994113 /nfs/dbraw/zinc/99/41/13/1404994113.db2.gz YTLYIWKPXSBDTJ-NRFANRHFSA-N 1 0 377.488 3.183 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047960257 1405010034 /nfs/dbraw/zinc/01/00/34/1405010034.db2.gz QKYRSJFXMSCUOQ-OAQYLSRUSA-N 1 0 394.544 3.365 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)NCc2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000047986267 1405018556 /nfs/dbraw/zinc/01/85/56/1405018556.db2.gz YUQJOROFWUNEMR-OAQYLSRUSA-N 1 0 378.476 3.203 20 30 GGEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000048126197 1405066323 /nfs/dbraw/zinc/06/63/23/1405066323.db2.gz QVZOOVCWUGLUJD-QGZVFWFLSA-N 1 0 391.475 3.274 20 30 GGEDRO C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000048140156 1405070722 /nfs/dbraw/zinc/07/07/22/1405070722.db2.gz ALRDYOKQWXQHLI-KRWDZBQOSA-N 1 0 379.529 3.354 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000048160231 1405079208 /nfs/dbraw/zinc/07/92/08/1405079208.db2.gz GXWYTJPPOUBLPZ-HXUWFJFHSA-N 1 0 386.540 3.480 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048269035 1405122255 /nfs/dbraw/zinc/12/22/55/1405122255.db2.gz NJMADCPREKGFMH-QZTJIDSGSA-N 1 0 387.524 3.210 20 30 GGEDRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)c2cccs2)CC1 ZINC000048828184 1405301742 /nfs/dbraw/zinc/30/17/42/1405301742.db2.gz LPXRTUVSNLTGEX-SFHVURJKSA-N 1 0 396.516 3.148 20 30 GGEDRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[NH+](C)C)cc1 ZINC000048846650 1405306140 /nfs/dbraw/zinc/30/61/40/1405306140.db2.gz NVBFXYZMSYDVSV-IBGZPJMESA-N 1 0 398.894 3.132 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cccc(CC#N)c3)CC2)c1 ZINC000049695746 1405394858 /nfs/dbraw/zinc/39/48/58/1405394858.db2.gz LWBJGFDJQXXAMG-UHFFFAOYSA-N 1 0 376.504 3.003 20 30 GGEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000050091185 1405477725 /nfs/dbraw/zinc/47/77/25/1405477725.db2.gz CVOTZFIGBNWTJB-UHFFFAOYSA-N 1 0 382.439 3.492 20 30 GGEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051059673 1405717206 /nfs/dbraw/zinc/71/72/06/1405717206.db2.gz FERCUKIHZJJMSC-MRXNPFEDSA-N 1 0 390.915 3.169 20 30 GGEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051062598 1405718062 /nfs/dbraw/zinc/71/80/62/1405718062.db2.gz BDFZFVWCJQQDCX-HXUWFJFHSA-N 1 0 398.551 3.178 20 30 GGEDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1OC ZINC000051283557 1405775134 /nfs/dbraw/zinc/77/51/34/1405775134.db2.gz JYGFOLCSVLWZGP-FPOVZHCZSA-N 1 0 396.487 3.347 20 30 GGEDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)Cc2cccc(C#N)c2)CC1 ZINC000051400938 1405804835 /nfs/dbraw/zinc/80/48/35/1405804835.db2.gz YNTSXDHBJZLQGR-UHFFFAOYSA-N 1 0 390.531 3.033 20 30 GGEDRO Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)Cc3cccc(C#N)c3)CC2)cc1 ZINC000051400951 1405804894 /nfs/dbraw/zinc/80/48/94/1405804894.db2.gz MOCVWLMMSZDGMB-UHFFFAOYSA-N 1 0 390.531 3.033 20 30 GGEDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)Cc2ccc(C#N)cc2)CC1 ZINC000051401113 1405805009 /nfs/dbraw/zinc/80/50/09/1405805009.db2.gz YDUXQLWNOOLKJO-UHFFFAOYSA-N 1 0 390.531 3.033 20 30 GGEDRO CCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000051688157 1405849581 /nfs/dbraw/zinc/84/95/81/1405849581.db2.gz CUBUUNJPGCESLC-PZJWPPBQSA-N 1 0 396.487 3.044 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC([NH+]3CCCCC3)CC2)c(OC)c1 ZINC000052003797 1405896328 /nfs/dbraw/zinc/89/63/28/1405896328.db2.gz ZKFGPWPKZUPWDH-NRFANRHFSA-N 1 0 388.552 3.114 20 30 GGEDRO C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409069 1406044272 /nfs/dbraw/zinc/04/42/72/1406044272.db2.gz SCZXLGITMSZJBU-SIKLNZKXSA-N 1 0 382.552 3.103 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(CCC#N)Cc3ccco3)CC2)cc1 ZINC000176294715 1428225493 /nfs/dbraw/zinc/22/54/93/1428225493.db2.gz JEARFQLAPJRLOQ-UHFFFAOYSA-N 1 0 394.519 3.038 20 30 GGEDRO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000052635170 1406100559 /nfs/dbraw/zinc/10/05/59/1406100559.db2.gz LPONDQGLECVUOG-FQEVSTJZSA-N 1 0 390.531 3.154 20 30 GGEDRO CC(C)C[NH+]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000052660752 1406110490 /nfs/dbraw/zinc/11/04/90/1406110490.db2.gz SNGIGPWZOWNATF-MRXNPFEDSA-N 1 0 388.581 3.489 20 30 GGEDRO CCC[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccc(C#N)cc1 ZINC000052826097 1406188674 /nfs/dbraw/zinc/18/86/74/1406188674.db2.gz SPOAGYPATGXPNZ-UHFFFAOYSA-N 1 0 396.560 3.176 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000056756631 1407421337 /nfs/dbraw/zinc/42/13/37/1407421337.db2.gz OFYUDYLOJDQXKA-UHFFFAOYSA-N 1 0 384.524 3.306 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(N2CCOC2=O)cc1)C(C)C ZINC000056767353 1407425995 /nfs/dbraw/zinc/42/59/95/1407425995.db2.gz JVBGHVGWKBCKMM-LJQANCHMSA-N 1 0 386.496 3.463 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2c(cccc2NC(C)=O)C1)C(C)C ZINC000056871901 1407461568 /nfs/dbraw/zinc/46/15/68/1407461568.db2.gz DLJRRTSVEFAJIP-QFIPXVFZSA-N 1 0 398.551 3.411 20 30 GGEDRO N#CCc1cccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000057114161 1407522182 /nfs/dbraw/zinc/52/21/82/1407522182.db2.gz AYJDPMLKTDNOAM-UHFFFAOYSA-N 1 0 376.504 3.085 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)CC1 ZINC000057172652 1407544616 /nfs/dbraw/zinc/54/46/16/1407544616.db2.gz PVZBNJKFONIZGL-QGZVFWFLSA-N 1 0 384.524 3.083 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000057612612 1407665299 /nfs/dbraw/zinc/66/52/99/1407665299.db2.gz DPFNVNCYJGUJJX-UHFFFAOYSA-N 1 0 386.540 3.371 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000057612506 1407665672 /nfs/dbraw/zinc/66/56/72/1407665672.db2.gz OQEYDFSCOIAZBI-IBGZPJMESA-N 1 0 386.521 3.081 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000057613211 1407667089 /nfs/dbraw/zinc/66/70/89/1407667089.db2.gz VLGZARVYFJOBFH-IBGZPJMESA-N 1 0 386.540 3.371 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000057617655 1407667805 /nfs/dbraw/zinc/66/78/05/1407667805.db2.gz WHSXYPREMPDFAT-XMSQKQJNSA-N 1 0 386.540 3.227 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000057618628 1407669340 /nfs/dbraw/zinc/66/93/40/1407669340.db2.gz AXEGAKAGDSMTKQ-GBESFXJTSA-N 1 0 386.540 3.083 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000057631009 1407671324 /nfs/dbraw/zinc/67/13/24/1407671324.db2.gz NLXFZKAKBILRRC-QFIPXVFZSA-N 1 0 394.519 3.328 20 30 GGEDRO N#Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000057695508 1407686542 /nfs/dbraw/zinc/68/65/42/1407686542.db2.gz WWSSORVXIQOLKS-UHFFFAOYSA-N 1 0 390.487 3.189 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000057695519 1407686966 /nfs/dbraw/zinc/68/69/66/1407686966.db2.gz MQHUQMDIJMYJDP-UHFFFAOYSA-N 1 0 389.499 3.299 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000057843736 1407736301 /nfs/dbraw/zinc/73/63/01/1407736301.db2.gz QLAOGHUUAYVPNY-UHFFFAOYSA-N 1 0 382.533 3.402 20 30 GGEDRO C=CCn1c2nnc(SCC[C@H]3CCCC[N@H+]3C)n2c2ccccc2c1=O ZINC000058125904 1407788261 /nfs/dbraw/zinc/78/82/61/1407788261.db2.gz JNOXBRKSCADNMH-OAHLLOKOSA-N 1 0 383.521 3.197 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000058216661 1407798864 /nfs/dbraw/zinc/79/88/64/1407798864.db2.gz XBCDNSOHJXEYJA-FQEVSTJZSA-N 1 0 396.491 3.146 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000058216678 1407798907 /nfs/dbraw/zinc/79/89/07/1407798907.db2.gz SBCXDKYGRHZRMO-SFHVURJKSA-N 1 0 386.521 3.081 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000058452823 1407831125 /nfs/dbraw/zinc/83/11/25/1407831125.db2.gz VGUXWTKIVFGBND-UHFFFAOYSA-N 1 0 377.492 3.201 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000058452821 1407831239 /nfs/dbraw/zinc/83/12/39/1407831239.db2.gz CTOJWGZMHYQBHU-QFIPXVFZSA-N 1 0 391.519 3.367 20 30 GGEDRO COc1cc(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)ccc1SC ZINC000058528326 1407840795 /nfs/dbraw/zinc/84/07/95/1407840795.db2.gz ZMEFGHDQWYJCRB-SFHVURJKSA-N 1 0 386.517 3.355 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000058820493 1407885936 /nfs/dbraw/zinc/88/59/36/1407885936.db2.gz XLRJGKCQOOCPCQ-HXUWFJFHSA-N 1 0 377.488 3.453 20 30 GGEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000058918333 1407899021 /nfs/dbraw/zinc/89/90/21/1407899021.db2.gz CEYPSYZMJZKVMG-SFHVURJKSA-N 1 0 379.460 3.431 20 30 GGEDRO CC1CCC(NC(=O)CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000060112936 1407940085 /nfs/dbraw/zinc/94/00/85/1407940085.db2.gz FBMWVXOZEWYEON-UHFFFAOYSA-N 1 0 386.540 3.004 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000060410619 1407973153 /nfs/dbraw/zinc/97/31/53/1407973153.db2.gz UICRDLWTLBKOEP-HTAPYJJXSA-N 1 0 387.524 3.353 20 30 GGEDRO CC[N@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469376 1407984581 /nfs/dbraw/zinc/98/45/81/1407984581.db2.gz COBGHOVZDUZKCQ-MRXNPFEDSA-N 1 0 394.475 3.436 20 30 GGEDRO CC[N@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477312 1407986386 /nfs/dbraw/zinc/98/63/86/1407986386.db2.gz YMHKEMPAAAWYTI-HXUWFJFHSA-N 1 0 390.531 3.286 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000060489650 1407988594 /nfs/dbraw/zinc/98/85/94/1407988594.db2.gz ZWPPTSYEEUHTCE-IBGZPJMESA-N 1 0 381.476 3.145 20 30 GGEDRO N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000176376767 1428283743 /nfs/dbraw/zinc/28/37/43/1428283743.db2.gz VQIQMHYLMHDDGA-LJQANCHMSA-N 1 0 380.467 3.061 20 30 GGEDRO COc1ccc(CCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000061160654 1408085167 /nfs/dbraw/zinc/08/51/67/1408085167.db2.gz CLJANEPNVCCVHS-UHFFFAOYSA-N 1 0 379.504 3.480 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)CC1 ZINC000176395368 1428298903 /nfs/dbraw/zinc/29/89/03/1428298903.db2.gz BPQCQWQOLGODIN-UHFFFAOYSA-N 1 0 397.441 3.277 20 30 GGEDRO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)CCOCC2)cc1 ZINC000062242630 1408223939 /nfs/dbraw/zinc/22/39/39/1408223939.db2.gz VAILLVXBRBGWGQ-KRWDZBQOSA-N 1 0 393.487 3.232 20 30 GGEDRO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)CCOCC2)cc1 ZINC000062242606 1408224110 /nfs/dbraw/zinc/22/41/10/1408224110.db2.gz GJCZCLQGVFBNMY-KRWDZBQOSA-N 1 0 393.487 3.232 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(OCC#N)c1 ZINC000062394409 1408249267 /nfs/dbraw/zinc/24/92/67/1408249267.db2.gz DHXAJQUIFLXJHL-UHFFFAOYSA-N 1 0 388.418 3.463 20 30 GGEDRO N#Cc1ccc(OCCC[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000063301191 1408332570 /nfs/dbraw/zinc/33/25/70/1408332570.db2.gz AGPRALXGUKJKHF-UHFFFAOYSA-N 1 0 397.544 3.460 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1)CC(F)(F)F ZINC000176413225 1428309691 /nfs/dbraw/zinc/30/96/91/1428309691.db2.gz KMSFKKXIEAKPAQ-OAHLLOKOSA-N 1 0 382.430 3.093 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNC(=O)NCC#Cc3ccccc3)CC2)cc1 ZINC000063331221 1408338109 /nfs/dbraw/zinc/33/81/09/1408338109.db2.gz HPDAEGAZQGSXRN-UHFFFAOYSA-N 1 0 391.515 3.258 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNC(=O)NCc3ccc(C#N)cc3)CC2)cc1 ZINC000063330914 1408338121 /nfs/dbraw/zinc/33/81/21/1408338121.db2.gz VQGHVYAFBDMLDL-UHFFFAOYSA-N 1 0 392.503 3.278 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNC(=O)NCc3cccc(C#N)c3)CC2)cc1 ZINC000063331172 1408338292 /nfs/dbraw/zinc/33/82/92/1408338292.db2.gz WCTMMAFQDDTGPT-UHFFFAOYSA-N 1 0 392.503 3.278 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccccc1 ZINC000063440557 1408354320 /nfs/dbraw/zinc/35/43/20/1408354320.db2.gz CUMQRONOISBVQA-UHFFFAOYSA-O 1 0 384.525 3.480 20 30 GGEDRO COCC[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc(C#N)cc1 ZINC000063753468 1408400678 /nfs/dbraw/zinc/40/06/78/1408400678.db2.gz ZKBBGDPVNMJBQG-UHFFFAOYSA-N 1 0 383.517 3.043 20 30 GGEDRO COCC[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccc(C#N)cc1 ZINC000063753960 1408401273 /nfs/dbraw/zinc/40/12/73/1408401273.db2.gz ZUVLMUNILSJSMY-UHFFFAOYSA-N 1 0 379.460 3.238 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc(C#N)c2)C(C)C)cc1 ZINC000063750286 1408401610 /nfs/dbraw/zinc/40/16/10/1408401610.db2.gz DAWQPRHFCQGASF-NRFANRHFSA-N 1 0 381.476 3.167 20 30 GGEDRO CC(C)[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccc(C#N)cc1 ZINC000063750579 1408402013 /nfs/dbraw/zinc/40/20/13/1408402013.db2.gz RIKMLMTVNRJBLL-JOCHJYFZSA-N 1 0 390.531 3.411 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000063771276 1408406589 /nfs/dbraw/zinc/40/65/89/1408406589.db2.gz GXZICBQVUPPWDN-UHFFFAOYSA-N 1 0 387.524 3.449 20 30 GGEDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)cc1 ZINC000063918355 1408445619 /nfs/dbraw/zinc/44/56/19/1408445619.db2.gz TVUPXYCOPGQLHC-UHFFFAOYSA-N 1 0 383.517 3.110 20 30 GGEDRO Cc1nc(SCC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C#N)c(C)c1C ZINC000064313015 1408532438 /nfs/dbraw/zinc/53/24/38/1408532438.db2.gz DHARUHSURBZQHR-QLFBSQMISA-N 1 0 388.581 3.453 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000064361601 1408540413 /nfs/dbraw/zinc/54/04/13/1408540413.db2.gz HXWIGNVJFKOBBE-UHFFFAOYSA-N 1 0 389.887 3.017 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 ZINC000064381112 1408542636 /nfs/dbraw/zinc/54/26/36/1408542636.db2.gz BSOBPXSYLYJRAV-JLHYYAGUSA-N 1 0 392.503 3.368 20 30 GGEDRO COc1cc(/C=C/C(=O)N(CCC#N)CCC[NH+](C)C)cc(Cl)c1OC ZINC000064381325 1408542909 /nfs/dbraw/zinc/54/29/09/1408542909.db2.gz UCBVGKKZHNCRRV-BQYQJAHWSA-N 1 0 379.888 3.064 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064522260 1408573015 /nfs/dbraw/zinc/57/30/15/1408573015.db2.gz WAHCIYRVHPVEQI-WMZOPIPTSA-N 1 0 383.517 3.415 20 30 GGEDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000064613850 1408585794 /nfs/dbraw/zinc/58/57/94/1408585794.db2.gz HCLOVMZKRIOTTN-UHFFFAOYSA-N 1 0 375.469 3.088 20 30 GGEDRO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OCCCC#N ZINC000064613183 1408586112 /nfs/dbraw/zinc/58/61/12/1408586112.db2.gz IOYQNLZLQVJFSB-GOSISDBHSA-N 1 0 376.420 3.224 20 30 GGEDRO COc1ccc(C[NH2+]CCOc2ccc3c(c2)OCO3)cc1OCCCC#N ZINC000064614277 1408586210 /nfs/dbraw/zinc/58/62/10/1408586210.db2.gz SEJXTJLEXDEAEE-UHFFFAOYSA-N 1 0 384.432 3.275 20 30 GGEDRO C=CCc1cc(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000065378610 1408664056 /nfs/dbraw/zinc/66/40/56/1408664056.db2.gz NKYGGSTXXPVKHX-KRWDZBQOSA-N 1 0 389.540 3.496 20 30 GGEDRO C=CCc1cc(CNC(=O)NCCC[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000065388946 1408664905 /nfs/dbraw/zinc/66/49/05/1408664905.db2.gz HFMDWJUTWYBESF-UHFFFAOYSA-N 1 0 389.540 3.354 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000065519054 1408683291 /nfs/dbraw/zinc/68/32/91/1408683291.db2.gz MODYIPWOXMLUTQ-GOSISDBHSA-N 1 0 384.524 3.353 20 30 GGEDRO CCOC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(C)C ZINC000065542853 1408686130 /nfs/dbraw/zinc/68/61/30/1408686130.db2.gz WUGKKDWELRZJNX-UHFFFAOYSA-N 1 0 391.537 3.348 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000176501656 1428342177 /nfs/dbraw/zinc/34/21/77/1428342177.db2.gz PDJWIKMIMVZEKL-CQSZACIVSA-N 1 0 387.459 3.276 20 30 GGEDRO Cc1nc(SCC(=O)NCC[N@@H+](C)Cc2ccccc2)c(C#N)c(C)c1C ZINC000065834243 1408737895 /nfs/dbraw/zinc/73/78/95/1408737895.db2.gz QENSAONIJQIJHC-UHFFFAOYSA-N 1 0 382.533 3.219 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1cccc(F)c1 ZINC000065930285 1408755825 /nfs/dbraw/zinc/75/58/25/1408755825.db2.gz OLBYNGBSSUAPFX-UHFFFAOYSA-N 1 0 383.467 3.447 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000065930214 1408755851 /nfs/dbraw/zinc/75/58/51/1408755851.db2.gz VQMZOSBPFVGTLV-UHFFFAOYSA-N 1 0 391.450 3.087 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCSCc1ccccn1 ZINC000065930370 1408755921 /nfs/dbraw/zinc/75/59/21/1408755921.db2.gz ZVFSAOIFRJZKHU-UHFFFAOYSA-N 1 0 382.533 3.167 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000065930514 1408756112 /nfs/dbraw/zinc/75/61/12/1408756112.db2.gz DTTPENUBIPQARJ-UHFFFAOYSA-N 1 0 397.523 3.152 20 30 GGEDRO Cc1cnn(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2)c1 ZINC000065930426 1408756211 /nfs/dbraw/zinc/75/62/11/1408756211.db2.gz HYJDYIJKNVTZOS-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO CC1=NN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2)CC1 ZINC000065930503 1408756422 /nfs/dbraw/zinc/75/64/22/1408756422.db2.gz USHQUCXMSYQKLU-UHFFFAOYSA-N 1 0 389.503 3.348 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000065930948 1408756458 /nfs/dbraw/zinc/75/64/58/1408756458.db2.gz XIWCORCBUIWICD-IBGZPJMESA-N 1 0 397.906 3.353 20 30 GGEDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1OC ZINC000065930809 1408756531 /nfs/dbraw/zinc/75/65/31/1408756531.db2.gz KASCJNJVDXRTBG-UHFFFAOYSA-N 1 0 381.476 3.170 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000065930889 1408756541 /nfs/dbraw/zinc/75/65/41/1408756541.db2.gz CAZDQZXGOCOCNN-UHFFFAOYSA-N 1 0 391.431 3.152 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000065930578 1408756566 /nfs/dbraw/zinc/75/65/66/1408756566.db2.gz MCJBDJJYHXNVDN-UHFFFAOYSA-N 1 0 386.499 3.482 20 30 GGEDRO COc1cc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(OC)c1 ZINC000065930967 1408756576 /nfs/dbraw/zinc/75/65/76/1408756576.db2.gz DEBVTSFNRXYHGA-UHFFFAOYSA-N 1 0 395.503 3.098 20 30 GGEDRO CCCc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065975256 1408765839 /nfs/dbraw/zinc/76/58/39/1408765839.db2.gz YHFMMHBQXIFHCF-UHFFFAOYSA-N 1 0 385.533 3.263 20 30 GGEDRO Cc1cc(C)c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C)c1 ZINC000065975226 1408765915 /nfs/dbraw/zinc/76/59/15/1408765915.db2.gz NSHJIMPUUUKUIL-UHFFFAOYSA-N 1 0 385.533 3.236 20 30 GGEDRO Cc1c(C[NH2+]CCSCc2ccccc2C#N)c(=O)n(-c2ccccc2)n1C ZINC000065980733 1408766632 /nfs/dbraw/zinc/76/66/32/1408766632.db2.gz DEMSCQDSBMNEMU-UHFFFAOYSA-N 1 0 392.528 3.379 20 30 GGEDRO COCCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000066379290 1408826885 /nfs/dbraw/zinc/82/68/85/1408826885.db2.gz LDAQRGYATNMXRK-UHFFFAOYSA-N 1 0 386.471 3.071 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@@H](C)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000066393048 1408829322 /nfs/dbraw/zinc/82/93/22/1408829322.db2.gz NWBLCJBOBVMMMO-LJQANCHMSA-N 1 0 382.552 3.220 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC1(c2cc(C)ccc2OC)CCOCC1 ZINC000066392647 1408829395 /nfs/dbraw/zinc/82/93/95/1408829395.db2.gz VLRYQRLJBWLDHE-LJQANCHMSA-N 1 0 386.536 3.231 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(C)C ZINC000066402697 1408831686 /nfs/dbraw/zinc/83/16/86/1408831686.db2.gz HTTLQEXJJNRXEC-OAHLLOKOSA-N 1 0 386.418 3.214 20 30 GGEDRO N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000066410390 1408832677 /nfs/dbraw/zinc/83/26/77/1408832677.db2.gz UWKLJPXGKXKEJW-QHCPKHFHSA-N 1 0 388.515 3.305 20 30 GGEDRO C[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000066621027 1408870651 /nfs/dbraw/zinc/87/06/51/1408870651.db2.gz LLFOZAVXQFYLFQ-OALUTQOASA-N 1 0 384.524 3.093 20 30 GGEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066623563 1408871765 /nfs/dbraw/zinc/87/17/65/1408871765.db2.gz CQYQUCVCGGHAPG-UHFFFAOYSA-N 1 0 384.524 3.046 20 30 GGEDRO N#Cc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1F ZINC000066750031 1408899182 /nfs/dbraw/zinc/89/91/82/1408899182.db2.gz YTGQXEBHLLXHQA-UHFFFAOYSA-N 1 0 385.464 3.264 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)nc1 ZINC000066785757 1408913859 /nfs/dbraw/zinc/91/38/59/1408913859.db2.gz PBPGKDFMUHDZHN-UHFFFAOYSA-N 1 0 377.448 3.020 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831355 1408923772 /nfs/dbraw/zinc/92/37/72/1408923772.db2.gz NUGNWYWUYXUPKR-KRWDZBQOSA-N 1 0 379.508 3.240 20 30 GGEDRO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000066835222 1408924827 /nfs/dbraw/zinc/92/48/27/1408924827.db2.gz IAZWKURUFATWQE-CQSZACIVSA-N 1 0 389.521 3.102 20 30 GGEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000176554853 1428362179 /nfs/dbraw/zinc/36/21/79/1428362179.db2.gz VEUSFRXATQVIJD-UHFFFAOYSA-N 1 0 396.878 3.062 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)CC1 ZINC000066922296 1408952449 /nfs/dbraw/zinc/95/24/49/1408952449.db2.gz PMQJRHFQKANJQS-UHFFFAOYSA-N 1 0 382.504 3.079 20 30 GGEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000176558814 1428363688 /nfs/dbraw/zinc/36/36/88/1428363688.db2.gz ITSSMGMXGWXVPA-IBGZPJMESA-N 1 0 396.878 3.103 20 30 GGEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000066982348 1408970569 /nfs/dbraw/zinc/97/05/69/1408970569.db2.gz MAEPJFUXSWAJHA-HNNXBMFYSA-N 1 0 388.537 3.008 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066981720 1408970659 /nfs/dbraw/zinc/97/06/59/1408970659.db2.gz YAPMNOQTDHBAGJ-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000066989233 1408973573 /nfs/dbraw/zinc/97/35/73/1408973573.db2.gz CLBFNUMYGRFHAX-UHFFFAOYSA-N 1 0 394.924 3.445 20 30 GGEDRO CCOc1c(OC)cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000067010960 1408979727 /nfs/dbraw/zinc/97/97/27/1408979727.db2.gz CGPPMNGOEXCPGS-UHFFFAOYSA-N 1 0 396.491 3.128 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C)CC1 ZINC000067207149 1409042310 /nfs/dbraw/zinc/04/23/10/1409042310.db2.gz QHKAUEBCNZWEEQ-HDICACEKSA-N 1 0 395.547 3.397 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(OCC)c2OC(F)F)CC1 ZINC000176586367 1428371777 /nfs/dbraw/zinc/37/17/77/1428371777.db2.gz XSZNADAZFLPHHI-UHFFFAOYSA-N 1 0 383.439 3.136 20 30 GGEDRO CC(C)[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000067288556 1409065195 /nfs/dbraw/zinc/06/51/95/1409065195.db2.gz YVIDNOGXBOLRMO-QFIPXVFZSA-N 1 0 382.552 3.103 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)c1 ZINC000067324018 1409073439 /nfs/dbraw/zinc/07/34/39/1409073439.db2.gz IYLZHLYPEOBMGD-OAQYLSRUSA-N 1 0 395.503 3.171 20 30 GGEDRO C[NH+]1CCN(c2ccc(CNc3ccc(C#N)c(C(F)(F)F)c3)cn2)CC1 ZINC000067348907 1409081206 /nfs/dbraw/zinc/08/12/06/1409081206.db2.gz WLGABDQRNFFPRR-UHFFFAOYSA-N 1 0 375.398 3.336 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000067479426 1409132475 /nfs/dbraw/zinc/13/24/75/1409132475.db2.gz CVOLPVHTGDAIAJ-FQEVSTJZSA-N 1 0 384.524 3.433 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000067497736 1409137759 /nfs/dbraw/zinc/13/77/59/1409137759.db2.gz BAUZHFPCPHTQFR-UHFFFAOYSA-N 1 0 387.524 3.351 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000067578003 1409173455 /nfs/dbraw/zinc/17/34/55/1409173455.db2.gz IQUQCYJUMUJOSW-SJORKVTESA-N 1 0 390.553 3.295 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000067578002 1409173708 /nfs/dbraw/zinc/17/37/08/1409173708.db2.gz IQUQCYJUMUJOSW-IAGOWNOFSA-N 1 0 390.553 3.295 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)cc1 ZINC000067677382 1409204813 /nfs/dbraw/zinc/20/48/13/1409204813.db2.gz SQFMHJUUHPCVMP-SFHVURJKSA-N 1 0 384.480 3.400 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)CC1 ZINC000067707637 1409211132 /nfs/dbraw/zinc/21/11/32/1409211132.db2.gz WIWMIWKWEHZGSH-UHFFFAOYSA-N 1 0 384.398 3.014 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000067709616 1409212676 /nfs/dbraw/zinc/21/26/76/1409212676.db2.gz XQYOHSZHPDOPKN-HDICACEKSA-N 1 0 381.520 3.088 20 30 GGEDRO C=CCNC(=O)c1ccc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)nc1 ZINC000176642924 1428388680 /nfs/dbraw/zinc/38/86/80/1428388680.db2.gz OWFZCPNQZFGPRO-GOSISDBHSA-N 1 0 394.519 3.309 20 30 GGEDRO CCc1c(C(=O)C(C(=S)NC2CC2)[n+]2cccc(C)c2)[nH]c(C)c1C(C)=O ZINC000067952239 1409263278 /nfs/dbraw/zinc/26/32/78/1409263278.db2.gz ICCXSLNEWYNWRK-UHFFFAOYSA-O 1 0 384.525 3.375 20 30 GGEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000067964141 1409265206 /nfs/dbraw/zinc/26/52/06/1409265206.db2.gz UTIODTIAWUVPDO-SFHVURJKSA-N 1 0 379.460 3.439 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000068117850 1409307481 /nfs/dbraw/zinc/30/74/81/1409307481.db2.gz FECILECTVIIYSP-UHFFFAOYSA-N 1 0 381.564 3.414 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)C ZINC000068128211 1409309330 /nfs/dbraw/zinc/30/93/30/1409309330.db2.gz KGIBQVYMXFXSEP-OALUTQOASA-N 1 0 377.573 3.086 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068132847 1409311113 /nfs/dbraw/zinc/31/11/13/1409311113.db2.gz BXTMXPXVOOHVIB-LJQANCHMSA-N 1 0 385.508 3.203 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1OCC#N ZINC000068134619 1409311476 /nfs/dbraw/zinc/31/14/76/1409311476.db2.gz NPXNVSDLZJLWCX-LHUXKHBRSA-N 1 0 383.492 3.088 20 30 GGEDRO COc1ccc2c(ccn2CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000068310172 1409360639 /nfs/dbraw/zinc/36/06/39/1409360639.db2.gz BNBLCHKNJNFIAA-UHFFFAOYSA-N 1 0 390.487 3.112 20 30 GGEDRO CC(C)C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N1CCOCC1 ZINC000068366125 1409381301 /nfs/dbraw/zinc/38/13/01/1409381301.db2.gz WETHMQDDZMKGSM-JOCHJYFZSA-N 1 0 395.551 3.300 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nnn(-c3cccc(Cl)c3)c2CCC)CC1 ZINC000068430564 1409400600 /nfs/dbraw/zinc/40/06/00/1409400600.db2.gz REWSTNQWGWKLSU-UHFFFAOYSA-N 1 0 387.915 3.253 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000068825189 1409502023 /nfs/dbraw/zinc/50/20/23/1409502023.db2.gz HMIAIUKIFLEXNV-KRWDZBQOSA-N 1 0 390.503 3.084 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc2cccnc21 ZINC000068885729 1409515476 /nfs/dbraw/zinc/51/54/76/1409515476.db2.gz WHNIMXDZADPPPC-UHFFFAOYSA-N 1 0 387.487 3.380 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)CC1 ZINC000068918699 1409524407 /nfs/dbraw/zinc/52/44/07/1409524407.db2.gz NFZUSSKZMPFMLL-KRWDZBQOSA-N 1 0 383.517 3.154 20 30 GGEDRO COCCOc1cccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000068991324 1409538121 /nfs/dbraw/zinc/53/81/21/1409538121.db2.gz XUCZIFSAGUGANI-IBGZPJMESA-N 1 0 383.467 3.481 20 30 GGEDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2cccnc2)n1 ZINC000068991577 1409538476 /nfs/dbraw/zinc/53/84/76/1409538476.db2.gz CGTILUMFOKWITH-LJQANCHMSA-N 1 0 390.466 3.251 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016525 1409544442 /nfs/dbraw/zinc/54/44/42/1409544442.db2.gz JGOYWVDGZWVMRO-LJQANCHMSA-N 1 0 386.540 3.253 20 30 GGEDRO CC(C)[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccc(C#N)cc1 ZINC000069071117 1409556634 /nfs/dbraw/zinc/55/66/34/1409556634.db2.gz RIKMLMTVNRJBLL-QFIPXVFZSA-N 1 0 390.531 3.411 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069112091 1409568627 /nfs/dbraw/zinc/56/86/27/1409568627.db2.gz DGFUXBAZPACGKF-LJQANCHMSA-N 1 0 399.514 3.006 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000069217967 1409589226 /nfs/dbraw/zinc/58/92/26/1409589226.db2.gz RPEQPAKEHBQWNB-UHFFFAOYSA-N 1 0 378.476 3.053 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000069258673 1409596655 /nfs/dbraw/zinc/59/66/55/1409596655.db2.gz FBIBJSWYUJFMQE-NRFANRHFSA-N 1 0 380.492 3.471 20 30 GGEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(OCC#N)cc1 ZINC000069278445 1409602950 /nfs/dbraw/zinc/60/29/50/1409602950.db2.gz PQDAFGUOAJRMJO-UHFFFAOYSA-N 1 0 380.492 3.429 20 30 GGEDRO N#CCOc1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000069282486 1409603711 /nfs/dbraw/zinc/60/37/11/1409603711.db2.gz FMCJSCAGHHOBHL-FQEVSTJZSA-N 1 0 378.476 3.053 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000069305182 1409610530 /nfs/dbraw/zinc/61/05/30/1409610530.db2.gz OIXCGGHOMCVDLW-OAQYLSRUSA-N 1 0 392.503 3.300 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000069463690 1409639108 /nfs/dbraw/zinc/63/91/08/1409639108.db2.gz DPHOTBAINHCQTN-FQEVSTJZSA-N 1 0 396.466 3.294 20 30 GGEDRO C[NH+]1CCN(C[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)CC1 ZINC000069617091 1409664022 /nfs/dbraw/zinc/66/40/22/1409664022.db2.gz JZSZINRDBPXUPY-FQEVSTJZSA-N 1 0 397.910 3.322 20 30 GGEDRO Cc1ccccc1-n1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1 ZINC000069698091 1409677082 /nfs/dbraw/zinc/67/70/82/1409677082.db2.gz BLCYEMZKPVHMGR-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000069726095 1409684167 /nfs/dbraw/zinc/68/41/67/1409684167.db2.gz MWQOQQXMIUEQLN-IBGZPJMESA-N 1 0 382.464 3.208 20 30 GGEDRO CCc1ccc([C@@H](CNC(=O)NCc2ccc(OCC#N)cc2)[NH+](C)C)cc1 ZINC000069729004 1409685393 /nfs/dbraw/zinc/68/53/93/1409685393.db2.gz VOSLVZJPXPQZCL-OAQYLSRUSA-N 1 0 380.492 3.253 20 30 GGEDRO CCc1ccc([C@H](CNC(=O)NCc2ccc(OCC#N)cc2)[NH+](C)C)cc1 ZINC000069729007 1409685561 /nfs/dbraw/zinc/68/55/61/1409685561.db2.gz VOSLVZJPXPQZCL-NRFANRHFSA-N 1 0 380.492 3.253 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1 ZINC000069747578 1409691195 /nfs/dbraw/zinc/69/11/95/1409691195.db2.gz LHXHXRCMLBFTMR-UHFFFAOYSA-N 1 0 378.520 3.158 20 30 GGEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(OCC#N)cc1 ZINC000069828956 1409711945 /nfs/dbraw/zinc/71/19/45/1409711945.db2.gz AIBAEGZSVIADOW-UHFFFAOYSA-N 1 0 384.455 3.001 20 30 GGEDRO C=CC[N@@H+](CC(=O)N1CCC(C(=O)NCCC(C)C)CC1)CC1CCCCC1 ZINC000069860082 1409715842 /nfs/dbraw/zinc/71/58/42/1409715842.db2.gz HQCZEDCEIRSNIB-UHFFFAOYSA-N 1 0 391.600 3.456 20 30 GGEDRO COC(=O)[C@H](NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000176708570 1428424946 /nfs/dbraw/zinc/42/49/46/1428424946.db2.gz ZBSVTNSSGLHVML-FGZHOGPDSA-N 1 0 393.487 3.208 20 30 GGEDRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3ccc(C#N)cc3)c2C1 ZINC000069924699 1409725590 /nfs/dbraw/zinc/72/55/90/1409725590.db2.gz XRKGSOJNZYAUHJ-MRXNPFEDSA-N 1 0 390.487 3.173 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000176714957 1428428534 /nfs/dbraw/zinc/42/85/34/1428428534.db2.gz GGQICVPSTMDYFP-FZKQIMNGSA-N 1 0 394.500 3.424 20 30 GGEDRO COc1ccc(C[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000070787655 1409775409 /nfs/dbraw/zinc/77/54/09/1409775409.db2.gz AQKFLMCSPCTWBF-JTSKRJEESA-N 1 0 395.503 3.338 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)C2CCCCC2)sc2c1CCCC2 ZINC000070824124 1409784154 /nfs/dbraw/zinc/78/41/54/1409784154.db2.gz LMEXHLTVXMRZLW-UHFFFAOYSA-N 1 0 375.538 3.454 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccccc1C#N)c1cccc(OC)c1 ZINC000071813899 1409825292 /nfs/dbraw/zinc/82/52/92/1409825292.db2.gz MJKABEDIDYIEDY-FQEVSTJZSA-N 1 0 381.476 3.145 20 30 GGEDRO N#Cc1ccc(OCCC[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000071951250 1409832747 /nfs/dbraw/zinc/83/27/47/1409832747.db2.gz SCBUKUJRALIAGH-UHFFFAOYSA-N 1 0 381.451 3.314 20 30 GGEDRO Cc1ccccc1C[N@H+]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000072098834 1409849018 /nfs/dbraw/zinc/84/90/18/1409849018.db2.gz RNCBULQZFMNXQB-IBGZPJMESA-N 1 0 376.504 3.402 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000073108224 1409858198 /nfs/dbraw/zinc/85/81/98/1409858198.db2.gz PMGMIMPPUTUGNE-UHFFFAOYSA-N 1 0 376.504 3.454 20 30 GGEDRO C[C@H](C(=O)N(C)c1ccccc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000073396955 1409860616 /nfs/dbraw/zinc/86/06/16/1409860616.db2.gz IHVJEDALFIPBOO-LJQANCHMSA-N 1 0 376.504 3.117 20 30 GGEDRO C[C@H](Nc1ccc(CC#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000073644099 1409863884 /nfs/dbraw/zinc/86/38/84/1409863884.db2.gz UHGJFQRABUBFEQ-SFHVURJKSA-N 1 0 376.504 3.334 20 30 GGEDRO CN(CC(=O)N(C)C1(C#N)CCCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109971 1409885464 /nfs/dbraw/zinc/88/54/64/1409885464.db2.gz VGUYXTPICLFHCP-OAQYLSRUSA-N 1 0 382.552 3.125 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)CC1 ZINC000076140825 1409885912 /nfs/dbraw/zinc/88/59/12/1409885912.db2.gz XQHHOQYOUORMEM-OAQYLSRUSA-N 1 0 376.504 3.401 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)CC1 ZINC000076140826 1409885977 /nfs/dbraw/zinc/88/59/77/1409885977.db2.gz XQHHOQYOUORMEM-NRFANRHFSA-N 1 0 376.504 3.401 20 30 GGEDRO Cc1ccccc1C1(C[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)CCOCC1 ZINC000176729560 1428438623 /nfs/dbraw/zinc/43/86/23/1428438623.db2.gz GFVVOYDYTCDRTD-IBGZPJMESA-N 1 0 395.528 3.372 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCSc2ccc(OC)c(OC)c2)CC1 ZINC000076994642 1409892803 /nfs/dbraw/zinc/89/28/03/1409892803.db2.gz OLBMFERNSKEELW-UHFFFAOYSA-N 1 0 378.538 3.343 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000077331963 1409895588 /nfs/dbraw/zinc/89/55/88/1409895588.db2.gz DPGPKPFAWOYSLQ-UHFFFAOYSA-N 1 0 376.504 3.449 20 30 GGEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(CCC#N)Cc3ccccn3)cc2)CC1 ZINC000078419176 1409916925 /nfs/dbraw/zinc/91/69/25/1409916925.db2.gz YNYPAXFXIPQARK-UHFFFAOYSA-N 1 0 391.519 3.168 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000078602561 1409928098 /nfs/dbraw/zinc/92/80/98/1409928098.db2.gz ZMMHDPBRHDKKLJ-SFHVURJKSA-N 1 0 384.524 3.087 20 30 GGEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H]1CC[C@H](SC)C1 ZINC000078947779 1409945435 /nfs/dbraw/zinc/94/54/35/1409945435.db2.gz GHYZKCIWDWKHJK-IRXDYDNUSA-N 1 0 392.569 3.168 20 30 GGEDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000079040909 1409952162 /nfs/dbraw/zinc/95/21/62/1409952162.db2.gz JZUUCUQUYSUWMK-UHFFFAOYSA-N 1 0 398.488 3.392 20 30 GGEDRO COC1CC[NH+](CCNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000079803813 1409990045 /nfs/dbraw/zinc/99/00/45/1409990045.db2.gz VKTKJGICACCISE-HNNXBMFYSA-N 1 0 376.526 3.313 20 30 GGEDRO C=CCOCCCC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000079860159 1409991054 /nfs/dbraw/zinc/99/10/54/1409991054.db2.gz YIYZKFHRBKAORQ-QGZVFWFLSA-N 1 0 377.504 3.128 20 30 GGEDRO CC(C)OCCN1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000176748928 1428447207 /nfs/dbraw/zinc/44/72/07/1428447207.db2.gz SZQLBDHMMLLVBB-UHFFFAOYSA-N 1 0 395.551 3.443 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081533756 1410021016 /nfs/dbraw/zinc/02/10/16/1410021016.db2.gz CJNBFLYEFAPPEJ-QFIPXVFZSA-N 1 0 376.504 3.140 20 30 GGEDRO C[C@@H](O)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089929382 1410058767 /nfs/dbraw/zinc/05/87/67/1410058767.db2.gz ZGOIIBBVDFSFEB-CABCVRRESA-N 1 0 375.538 3.310 20 30 GGEDRO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000091792588 1410081296 /nfs/dbraw/zinc/08/12/96/1410081296.db2.gz JSPJLYOVBJAMDN-SFHVURJKSA-N 1 0 393.487 3.211 20 30 GGEDRO CCOc1ccc(C2=CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000091813461 1410083385 /nfs/dbraw/zinc/08/33/85/1410083385.db2.gz HSXOQGFSMYMPMR-NRFANRHFSA-N 1 0 378.472 3.486 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000091918241 1410092447 /nfs/dbraw/zinc/09/24/47/1410092447.db2.gz DPDLUOPFCYSOJV-UHFFFAOYSA-N 1 0 377.467 3.369 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000092034306 1410099468 /nfs/dbraw/zinc/09/94/68/1410099468.db2.gz VIRVYTDCIVOGKX-UHFFFAOYSA-N 1 0 377.488 3.438 20 30 GGEDRO CCOc1cccc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000092034066 1410099578 /nfs/dbraw/zinc/09/95/78/1410099578.db2.gz BQXZRYGBVDIEOS-UHFFFAOYSA-N 1 0 379.508 3.152 20 30 GGEDRO C[NH+](C)Cc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000092035059 1410099810 /nfs/dbraw/zinc/09/98/10/1410099810.db2.gz BZKXPIDQVKWLTQ-UHFFFAOYSA-N 1 0 378.476 3.135 20 30 GGEDRO C[NH+](C)Cc1cccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000092046101 1410100864 /nfs/dbraw/zinc/10/08/64/1410100864.db2.gz GWYASKBKJABPAX-UHFFFAOYSA-N 1 0 378.476 3.135 20 30 GGEDRO CC[N@H+](C)[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000092046515 1410101893 /nfs/dbraw/zinc/10/18/93/1410101893.db2.gz AYFMZYISFDTJSV-QETWGEEDSA-N 1 0 392.503 3.452 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)c2)c1 ZINC000092218336 1410120557 /nfs/dbraw/zinc/12/05/57/1410120557.db2.gz NSNGRSBAPMOFPK-HSZRJFAPSA-N 1 0 391.515 3.434 20 30 GGEDRO CC(C)[C@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[NH+]1CCCC1 ZINC000092236007 1410126277 /nfs/dbraw/zinc/12/62/77/1410126277.db2.gz VXZAQMZIYWMRMU-MHJFOBGBSA-N 1 0 399.539 3.063 20 30 GGEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092236158 1410126312 /nfs/dbraw/zinc/12/63/12/1410126312.db2.gz QBWROMQXABIVEH-HDYDNRTBSA-N 1 0 399.539 3.063 20 30 GGEDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000092585503 1410175081 /nfs/dbraw/zinc/17/50/81/1410175081.db2.gz UHLVHTTUMGJTJE-INIZCTEOSA-N 1 0 387.505 3.210 20 30 GGEDRO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OC ZINC000092585616 1410175725 /nfs/dbraw/zinc/17/57/25/1410175725.db2.gz OWXFOXCZSGCVKD-OAHLLOKOSA-N 1 0 390.505 3.100 20 30 GGEDRO CC(C)[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000092615080 1410179359 /nfs/dbraw/zinc/17/93/59/1410179359.db2.gz WUQNNUAKWDPPTK-GRERDSQWSA-N 1 0 384.524 3.270 20 30 GGEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000092619189 1410181191 /nfs/dbraw/zinc/18/11/91/1410181191.db2.gz XMHCJPROTNPKQV-JOCHJYFZSA-N 1 0 390.531 3.058 20 30 GGEDRO C=CCOc1ccc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1OC ZINC000092665462 1410184819 /nfs/dbraw/zinc/18/48/19/1410184819.db2.gz WNQNFBUDJJJAHH-PMACEKPBSA-N 1 0 387.568 3.250 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000092665697 1410186028 /nfs/dbraw/zinc/18/60/28/1410186028.db2.gz BTNANFHWYOWVOH-NHCUHLMSSA-N 1 0 383.584 3.027 20 30 GGEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000092665692 1410186746 /nfs/dbraw/zinc/18/67/46/1410186746.db2.gz BTNANFHWYOWVOH-SFTDATJTSA-N 1 0 383.584 3.027 20 30 GGEDRO N#Cc1csc(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000092668968 1410187401 /nfs/dbraw/zinc/18/74/01/1410187401.db2.gz VZNJXMBEXJNCIG-SFHVURJKSA-N 1 0 381.549 3.049 20 30 GGEDRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000092801227 1410202746 /nfs/dbraw/zinc/20/27/46/1410202746.db2.gz DVZZREFPZGHINC-INIZCTEOSA-N 1 0 379.936 3.400 20 30 GGEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(N4CCCC4)nc3)CC2)nc1 ZINC000092854101 1410204931 /nfs/dbraw/zinc/20/49/31/1410204931.db2.gz KMKUXAVPSQTTEW-UHFFFAOYSA-N 1 0 377.492 3.428 20 30 GGEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccccc3N3CCOCC3)CC2)nc1 ZINC000092854332 1410206030 /nfs/dbraw/zinc/20/60/30/1410206030.db2.gz PPEXQGKELBAUNL-UHFFFAOYSA-N 1 0 392.503 3.270 20 30 GGEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000093017133 1410216785 /nfs/dbraw/zinc/21/67/85/1410216785.db2.gz VOUZSVSKSNUPMG-FQEVSTJZSA-N 1 0 393.535 3.008 20 30 GGEDRO COc1ccccc1CN1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000093048457 1410217913 /nfs/dbraw/zinc/21/79/13/1410217913.db2.gz GMBMZAGIFTWJDW-UHFFFAOYSA-N 1 0 378.520 3.363 20 30 GGEDRO COc1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1OCCCC#N ZINC000093455007 1410246792 /nfs/dbraw/zinc/24/67/92/1410246792.db2.gz AGOJFDJGRDAXQO-OAQYLSRUSA-N 1 0 398.507 3.057 20 30 GGEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000093534473 1410250737 /nfs/dbraw/zinc/25/07/37/1410250737.db2.gz JNBBNGSXTMSUQQ-INIZCTEOSA-N 1 0 384.436 3.250 20 30 GGEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000093534370 1410251196 /nfs/dbraw/zinc/25/11/96/1410251196.db2.gz WEADJEVCBWHFLD-MRXNPFEDSA-N 1 0 384.436 3.119 20 30 GGEDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000093613289 1410256096 /nfs/dbraw/zinc/25/60/96/1410256096.db2.gz ADLGHRFKRUWGAF-LEWJYISDSA-N 1 0 394.519 3.216 20 30 GGEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000093614248 1410256159 /nfs/dbraw/zinc/25/61/59/1410256159.db2.gz JQQBZWULRXVJNG-RTWAWAEBSA-N 1 0 388.508 3.130 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)c2)c1 ZINC000093665052 1410258312 /nfs/dbraw/zinc/25/83/12/1410258312.db2.gz BHZCWHDKUZFOCC-HSZRJFAPSA-N 1 0 391.515 3.291 20 30 GGEDRO C=CCc1cc(C[N@H+]2CCCN(c3nc(CC)ns3)CC2)cc(OC)c1O ZINC000093871517 1410278508 /nfs/dbraw/zinc/27/85/08/1410278508.db2.gz FZYQCIUCXMLDEG-UHFFFAOYSA-N 1 0 388.537 3.256 20 30 GGEDRO N#Cc1ccsc1N1CC[C@H](Nc2cccc(CC[NH+]3CCCC3)c2)C1=O ZINC000093919558 1410285343 /nfs/dbraw/zinc/28/53/43/1410285343.db2.gz JZONDXWMRRGEDT-IBGZPJMESA-N 1 0 380.517 3.475 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(OCc3ccccc3OC)CC2)CC1 ZINC000094035648 1410295524 /nfs/dbraw/zinc/29/55/24/1410295524.db2.gz YHFOFSZFFLCJSQ-UHFFFAOYSA-N 1 0 387.524 3.036 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000094121915 1410304869 /nfs/dbraw/zinc/30/48/69/1410304869.db2.gz YXORWPMBHQAIDL-UHFFFAOYSA-N 1 0 392.503 3.073 20 30 GGEDRO N#Cc1c(NC(=O)C[N@@H+](CCO)C2CCCCC2)sc2c1CCCCC2 ZINC000096979920 1410342287 /nfs/dbraw/zinc/34/22/87/1410342287.db2.gz VFYSACGFEUXYBS-UHFFFAOYSA-N 1 0 375.538 3.454 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000097002736 1410344849 /nfs/dbraw/zinc/34/48/49/1410344849.db2.gz ANPGHHCFZWJWDO-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000097570648 1410377876 /nfs/dbraw/zinc/37/78/76/1410377876.db2.gz DBVXWZBCAGCEKS-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO CC(C)N(C(=O)[C@H](C)ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(C)C ZINC000097571478 1410378518 /nfs/dbraw/zinc/37/85/18/1410378518.db2.gz JMAXAJQXKYHFLZ-SFHVURJKSA-N 1 0 388.556 3.343 20 30 GGEDRO C[C@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)N1CCCCCC1 ZINC000097571233 1410378805 /nfs/dbraw/zinc/37/88/05/1410378805.db2.gz PMSXNSBOCXPBPH-SFHVURJKSA-N 1 0 386.540 3.101 20 30 GGEDRO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)N1CCCCCC1 ZINC000097571234 1410378817 /nfs/dbraw/zinc/37/88/17/1410378817.db2.gz PMSXNSBOCXPBPH-GOSISDBHSA-N 1 0 386.540 3.101 20 30 GGEDRO CC(C)[C@H]1OCCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000176817039 1428480264 /nfs/dbraw/zinc/48/02/64/1428480264.db2.gz ALSZTNGXQJQQCL-FCHUYYIVSA-N 1 0 398.551 3.227 20 30 GGEDRO C=CCc1cc(OCC)cc(C[N@@H+](CCCC)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000098051294 1410403221 /nfs/dbraw/zinc/40/32/21/1410403221.db2.gz ZNLRJNRDXDDRCW-GOSISDBHSA-N 1 0 381.538 3.309 20 30 GGEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000176819460 1428481840 /nfs/dbraw/zinc/48/18/40/1428481840.db2.gz TUFWHOMJZSKBIX-ROUUACIJSA-N 1 0 384.524 3.496 20 30 GGEDRO Cc1ccccc1C1(C[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)CCOCC1 ZINC000098123475 1410427972 /nfs/dbraw/zinc/42/79/72/1410427972.db2.gz UXPSFXKIQVZOTM-LJQANCHMSA-N 1 0 383.536 3.364 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)/C=C/c2ccc(OCC#N)cc2)[NH+]2CCCC2)o1 ZINC000101527895 1410449878 /nfs/dbraw/zinc/44/98/78/1410449878.db2.gz SKZXRTPTBCWQQM-OEMHODTASA-N 1 0 379.460 3.457 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NCC(F)(F)F)[n+]1ccccc1 ZINC000101534956 1410452329 /nfs/dbraw/zinc/45/23/29/1410452329.db2.gz AGVZLRZQVYGKQB-UHFFFAOYSA-O 1 0 383.415 3.382 20 30 GGEDRO Cc1ccc(C)c(C(=O)C(C(=S)NCC(F)(F)F)[n+]2cccc(CO)c2)c1 ZINC000101534966 1410452445 /nfs/dbraw/zinc/45/24/45/1410452445.db2.gz FEVYYYHNAUCIGZ-UHFFFAOYSA-O 1 0 397.442 3.174 20 30 GGEDRO Cc1ccccc1C(=O)C(C(=S)NCC(F)(F)F)[n+]1ccc(N(C)C)cc1 ZINC000101535006 1410453065 /nfs/dbraw/zinc/45/30/65/1410453065.db2.gz GMFADVMDRWNVCN-UHFFFAOYSA-O 1 0 396.458 3.439 20 30 GGEDRO Cc1ccc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2ccc(N(C)C)cc2)cc1 ZINC000101535119 1410453218 /nfs/dbraw/zinc/45/32/18/1410453218.db2.gz ONQRLEJGYQHIMM-UHFFFAOYSA-O 1 0 396.458 3.439 20 30 GGEDRO CCN1CC[NH+](CCCCNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000101686574 1410490971 /nfs/dbraw/zinc/49/09/71/1410490971.db2.gz AQJUKMBZVKOYAI-UHFFFAOYSA-N 1 0 390.531 3.373 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000101748017 1410498495 /nfs/dbraw/zinc/49/84/95/1410498495.db2.gz KRRUSVHFUGTAGB-IBGZPJMESA-N 1 0 396.491 3.462 20 30 GGEDRO CCn1cc(NC(=S)C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)cn1 ZINC000101900593 1410515314 /nfs/dbraw/zinc/51/53/14/1410515314.db2.gz OJLKWOOYIKOSPF-UHFFFAOYSA-O 1 0 396.452 3.150 20 30 GGEDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000101913479 1410519658 /nfs/dbraw/zinc/51/96/58/1410519658.db2.gz CDSZECOOTYPQNC-HNNXBMFYSA-N 1 0 390.915 3.169 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101917227 1410523206 /nfs/dbraw/zinc/52/32/06/1410523206.db2.gz IXMXNVMLTMZRCS-INIZCTEOSA-N 1 0 375.488 3.289 20 30 GGEDRO C#Cc1cccc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000102044290 1410549718 /nfs/dbraw/zinc/54/97/18/1410549718.db2.gz VUWMWKSHCICVRQ-INIZCTEOSA-N 1 0 380.467 3.442 20 30 GGEDRO Cc1nc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000176846557 1428498827 /nfs/dbraw/zinc/49/88/27/1428498827.db2.gz UAZKTLCGSIQYOG-UHFFFAOYSA-N 1 0 392.503 3.063 20 30 GGEDRO Cc1ccccc1C(=O)C(C(=S)Nc1ccc(C(N)=O)cc1)[n+]1ccccc1 ZINC000102387355 1410617773 /nfs/dbraw/zinc/61/77/73/1410617773.db2.gz UVWFJHPBWXHACL-UHFFFAOYSA-O 1 0 390.488 3.432 20 30 GGEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccc(C(N)=O)cc2)[n+]2ccccc2)cc1 ZINC000102387374 1410617885 /nfs/dbraw/zinc/61/78/85/1410617885.db2.gz LKBBZBDHABXUEB-UHFFFAOYSA-O 1 0 390.488 3.432 20 30 GGEDRO NC(=O)c1ccc(NC(=S)C(C(=O)c2ccccc2)[n+]2ccccc2)cc1 ZINC000102387378 1410618257 /nfs/dbraw/zinc/61/82/57/1410618257.db2.gz UFUUGXMYOZOZMN-UHFFFAOYSA-O 1 0 376.461 3.124 20 30 GGEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CN2CC(=O)N(Cc3ccccc3C#N)C2=O)c1 ZINC000102390968 1410618859 /nfs/dbraw/zinc/61/88/59/1410618859.db2.gz RLXKLHYEBOISFZ-NRFANRHFSA-N 1 0 388.471 3.426 20 30 GGEDRO N#Cc1ccc(CN2C(=O)CN(C[N@H+](CC3CCCCC3)C3CC3)C2=O)cc1 ZINC000102392019 1410619152 /nfs/dbraw/zinc/61/91/52/1410619152.db2.gz SOIOVRPLGXWGBW-UHFFFAOYSA-N 1 0 380.492 3.325 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000102520830 1410643657 /nfs/dbraw/zinc/64/36/57/1410643657.db2.gz MTEPJBRGZKAWJB-MRXNPFEDSA-N 1 0 383.496 3.124 20 30 GGEDRO Cc1csc(CCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000102575793 1410655556 /nfs/dbraw/zinc/65/55/56/1410655556.db2.gz MOACVYLEXVLEIM-UHFFFAOYSA-N 1 0 385.537 3.029 20 30 GGEDRO CC(=O)Nc1cccc(CON=C(N)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000102653960 1410689288 /nfs/dbraw/zinc/68/92/88/1410689288.db2.gz UOJBFBUIDWYVLD-UHFFFAOYSA-N 1 0 380.492 3.468 20 30 GGEDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000102914076 1410807523 /nfs/dbraw/zinc/80/75/23/1410807523.db2.gz PJKOBNQMDYMZRY-UHFFFAOYSA-N 1 0 385.471 3.323 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931589 1410809386 /nfs/dbraw/zinc/80/93/86/1410809386.db2.gz VGONPGZRTKFQHH-UHFFFAOYSA-N 1 0 384.505 3.172 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931734 1410809564 /nfs/dbraw/zinc/80/95/64/1410809564.db2.gz FPDVDLYGGXJVML-UHFFFAOYSA-N 1 0 378.476 3.111 20 30 GGEDRO CC(C)COc1ncccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000102990364 1410817179 /nfs/dbraw/zinc/81/71/79/1410817179.db2.gz STXYJGAYFFCPOQ-UHFFFAOYSA-N 1 0 380.492 3.192 20 30 GGEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000103112980 1410828652 /nfs/dbraw/zinc/82/86/52/1410828652.db2.gz XKSBLGFZNMJHCM-UHFFFAOYSA-N 1 0 398.894 3.049 20 30 GGEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000103184395 1410835001 /nfs/dbraw/zinc/83/50/01/1410835001.db2.gz RYUVNVSQURDRKT-UHFFFAOYSA-N 1 0 380.492 3.230 20 30 GGEDRO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000103184393 1410835145 /nfs/dbraw/zinc/83/51/45/1410835145.db2.gz DMWITGLWKIUGMI-UHFFFAOYSA-N 1 0 380.492 3.230 20 30 GGEDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000103206176 1410837286 /nfs/dbraw/zinc/83/72/86/1410837286.db2.gz JBXLTXUNBFJXHE-GOSISDBHSA-N 1 0 392.503 3.106 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCCc3cc(Br)cc(F)c32)CC1 ZINC000103263307 1410841746 /nfs/dbraw/zinc/84/17/46/1410841746.db2.gz WRAOFPUNUJZBSV-UHFFFAOYSA-N 1 0 379.273 3.213 20 30 GGEDRO C[NH+]=C(NCc1ccco1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000103337997 1410849826 /nfs/dbraw/zinc/84/98/26/1410849826.db2.gz OXRPZKRAZUXVAB-UHFFFAOYSA-N 1 0 396.413 3.000 20 30 GGEDRO N#Cc1c(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cn2ccccc12 ZINC000103480031 1410862094 /nfs/dbraw/zinc/86/20/94/1410862094.db2.gz HVDDPJNUKPNEOS-GOSISDBHSA-N 1 0 377.423 3.346 20 30 GGEDRO COc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000103483738 1410862903 /nfs/dbraw/zinc/86/29/03/1410862903.db2.gz YMCQWKJJTOHUFU-UHFFFAOYSA-N 1 0 389.459 3.216 20 30 GGEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000176910710 1428518768 /nfs/dbraw/zinc/51/87/68/1428518768.db2.gz XPFJTZCNJKYDKG-FQEVSTJZSA-N 1 0 382.508 3.052 20 30 GGEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000104156991 1410885958 /nfs/dbraw/zinc/88/59/58/1410885958.db2.gz YXPKWFPWZTWUOA-UHFFFAOYSA-N 1 0 379.464 3.433 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2c(C)nn(Cc3ccccc3)c2C)cc1OC ZINC000104158092 1410886040 /nfs/dbraw/zinc/88/60/40/1410886040.db2.gz DRUGZALEUCXJNE-UHFFFAOYSA-N 1 0 393.491 3.492 20 30 GGEDRO [NH2+]=C(NCc1cccnc1OC1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000104164268 1410886062 /nfs/dbraw/zinc/88/60/62/1410886062.db2.gz RLVFVUTVAPTHDL-UHFFFAOYSA-N 1 0 382.464 3.491 20 30 GGEDRO C[C@H]1CN(Cc2cccc(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)c2)CCO1 ZINC000104180135 1410886361 /nfs/dbraw/zinc/88/63/61/1410886361.db2.gz JJNCFKAJWQUBQU-KRWDZBQOSA-N 1 0 378.520 3.323 20 30 GGEDRO Cc1ccc(NC(=[NH2+])NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000104190752 1410886516 /nfs/dbraw/zinc/88/65/16/1410886516.db2.gz YVCKXNHYVLQOJS-UHFFFAOYSA-N 1 0 386.521 3.096 20 30 GGEDRO CCc1noc(-c2ccc(CCNC(=[NH2+])Nc3ccc(OC)c(OC)c3)cc2)n1 ZINC000104193591 1410886661 /nfs/dbraw/zinc/88/66/61/1410886661.db2.gz YIBQHOIYDHHGAL-UHFFFAOYSA-N 1 0 395.463 3.286 20 30 GGEDRO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000104532570 1410899029 /nfs/dbraw/zinc/89/90/29/1410899029.db2.gz RXRHPKZHOIBPMJ-OAQYLSRUSA-N 1 0 394.519 3.149 20 30 GGEDRO C[C@@H](O)C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000104683965 1410928978 /nfs/dbraw/zinc/92/89/78/1410928978.db2.gz NXGBUPGILQYNOR-MRXNPFEDSA-N 1 0 396.453 3.189 20 30 GGEDRO C[NH+](C)Cc1ccnc(NC(=O)c2occc2COc2cccc(C#N)c2)c1 ZINC000176933410 1428524200 /nfs/dbraw/zinc/52/42/00/1428524200.db2.gz VFTYQAYCHBKOOS-UHFFFAOYSA-N 1 0 376.416 3.439 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)c1 ZINC000104713454 1410937481 /nfs/dbraw/zinc/93/74/81/1410937481.db2.gz IRNXZMNQTTUNHH-SFHVURJKSA-N 1 0 386.879 3.495 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)c1 ZINC000104713458 1410938390 /nfs/dbraw/zinc/93/83/90/1410938390.db2.gz IRNXZMNQTTUNHH-GOSISDBHSA-N 1 0 386.879 3.495 20 30 GGEDRO N#CCc1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000104985898 1411008745 /nfs/dbraw/zinc/00/87/45/1411008745.db2.gz WTAOVXRYMUCXLC-UHFFFAOYSA-N 1 0 378.476 3.031 20 30 GGEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000104997052 1411010315 /nfs/dbraw/zinc/01/03/15/1411010315.db2.gz LOHJGQSAELYYCI-UHFFFAOYSA-N 1 0 379.464 3.245 20 30 GGEDRO CC1CC[NH+](CCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000105090749 1411027372 /nfs/dbraw/zinc/02/73/72/1411027372.db2.gz QLUOWXFHEBJHSI-UHFFFAOYSA-N 1 0 384.524 3.233 20 30 GGEDRO C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000105126881 1411032576 /nfs/dbraw/zinc/03/25/76/1411032576.db2.gz OKYGSGQDQQLMTD-ROUUACIJSA-N 1 0 384.524 3.231 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)s1 ZINC000176969910 1428534527 /nfs/dbraw/zinc/53/45/27/1428534527.db2.gz NEQCJEYWEDTBMA-HNNXBMFYSA-N 1 0 381.379 3.413 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000105328043 1411054949 /nfs/dbraw/zinc/05/49/49/1411054949.db2.gz DUIAWXMQUVOGHN-LJQANCHMSA-N 1 0 379.508 3.247 20 30 GGEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000176971975 1428535414 /nfs/dbraw/zinc/53/54/14/1428535414.db2.gz FNQMPNUJWMJLRW-HZPDHXFCSA-N 1 0 388.487 3.441 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(CC)cc1 ZINC000105391760 1411061983 /nfs/dbraw/zinc/06/19/83/1411061983.db2.gz WNCRYBFEKFTJAC-UHFFFAOYSA-O 1 0 387.481 3.021 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)NC(C)(C)C)cc1 ZINC000105391813 1411062619 /nfs/dbraw/zinc/06/26/19/1411062619.db2.gz DSCIAXZEMNHGME-UHFFFAOYSA-O 1 0 389.497 3.243 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000105404126 1411063733 /nfs/dbraw/zinc/06/37/33/1411063733.db2.gz NNMWJXGQYSCVFN-DGCLKSJQSA-N 1 0 390.484 3.309 20 30 GGEDRO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000105427668 1411066056 /nfs/dbraw/zinc/06/60/56/1411066056.db2.gz IBYRREHKKMLPAL-QGZVFWFLSA-N 1 0 387.487 3.064 20 30 GGEDRO C=CCSCC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000105462341 1411068730 /nfs/dbraw/zinc/06/87/30/1411068730.db2.gz NGYDZVOFGQXGQC-UHFFFAOYSA-N 1 0 393.290 3.317 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/CCOc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000105935588 1411130702 /nfs/dbraw/zinc/13/07/02/1411130702.db2.gz PLZYUFVXUCRSKB-RCCKNPSSSA-N 1 0 390.505 3.140 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000106036174 1411154297 /nfs/dbraw/zinc/15/42/97/1411154297.db2.gz DHHGRRUFFCDJCX-UHFFFAOYSA-N 1 0 384.499 3.327 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC000106035026 1411154398 /nfs/dbraw/zinc/15/43/98/1411154398.db2.gz GPPPRKLABNUEFX-UHFFFAOYSA-N 1 0 389.393 3.131 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CC1 ZINC000106034673 1411154578 /nfs/dbraw/zinc/15/45/78/1411154578.db2.gz JBDCAVXIRBXYEM-UHFFFAOYSA-N 1 0 383.536 3.263 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000106035376 1411154698 /nfs/dbraw/zinc/15/46/98/1411154698.db2.gz CTSRDBTXEYTMQP-UHFFFAOYSA-N 1 0 375.557 3.008 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000106035493 1411154737 /nfs/dbraw/zinc/15/47/37/1411154737.db2.gz PKUMBKJMYWOUDZ-UHFFFAOYSA-N 1 0 386.477 3.489 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000106036215 1411154773 /nfs/dbraw/zinc/15/47/73/1411154773.db2.gz VDHUXESJAKZKDL-UHFFFAOYSA-N 1 0 399.535 3.192 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sccc2NC(=O)c2ccncc2)CC1 ZINC000106036161 1411154807 /nfs/dbraw/zinc/15/48/07/1411154807.db2.gz QDLDQKVIMSAZQB-UHFFFAOYSA-N 1 0 384.505 3.166 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2occc2CN2c3ccccc3CC2=O)CC1 ZINC000106034452 1411155055 /nfs/dbraw/zinc/15/50/55/1411155055.db2.gz FFIJZYXSVHCNNR-UHFFFAOYSA-N 1 0 393.487 3.139 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2S[C@H](C)C(=O)OC)CC1 ZINC000106035680 1411155317 /nfs/dbraw/zinc/15/53/17/1411155317.db2.gz IPHVNZVOXIEWBS-OAHLLOKOSA-N 1 0 376.522 3.111 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000106037956 1411155711 /nfs/dbraw/zinc/15/57/11/1411155711.db2.gz FVNABAZHWYEOEJ-UHFFFAOYSA-N 1 0 385.552 3.261 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)CC1 ZINC000106039123 1411155835 /nfs/dbraw/zinc/15/58/35/1411155835.db2.gz VMLXRBFHAGHXFC-LJQANCHMSA-N 1 0 377.916 3.064 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000106036675 1411155934 /nfs/dbraw/zinc/15/59/34/1411155934.db2.gz DTSWQMLLGWSPOZ-UHFFFAOYSA-N 1 0 397.563 3.015 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000106037309 1411156104 /nfs/dbraw/zinc/15/61/04/1411156104.db2.gz WRBJTTOXNCCXDZ-QGZVFWFLSA-N 1 0 385.552 3.259 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000106037600 1411156672 /nfs/dbraw/zinc/15/66/72/1411156672.db2.gz STAXDNMUXFXUGB-UHFFFAOYSA-N 1 0 382.508 3.201 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)CC1 ZINC000106039383 1411157173 /nfs/dbraw/zinc/15/71/73/1411157173.db2.gz FREYEMJEJRDEKF-OAQYLSRUSA-N 1 0 385.552 3.296 20 30 GGEDRO C=C(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)N[C@H](C)CCC)cn2)CC1 ZINC000106066228 1411162830 /nfs/dbraw/zinc/16/28/30/1411162830.db2.gz PHBVEJDYTKPWLK-MRXNPFEDSA-N 1 0 380.558 3.001 20 30 GGEDRO C=CCOc1ccc(C(=O)NCc2ccccc2CN2CC[NH+](CC)CC2)cc1 ZINC000106194491 1411179978 /nfs/dbraw/zinc/17/99/78/1411179978.db2.gz QTECOLYEISPXQW-UHFFFAOYSA-N 1 0 393.531 3.319 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCC)c(OC)c2)CC1 ZINC000106259728 1411185421 /nfs/dbraw/zinc/18/54/21/1411185421.db2.gz QACZBZVIKLBENJ-INIZCTEOSA-N 1 0 375.513 3.495 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2OCC(F)(F)F)CC1 ZINC000106262147 1411185452 /nfs/dbraw/zinc/18/54/52/1411185452.db2.gz KRTXOEYCWXMLIX-UHFFFAOYSA-N 1 0 385.430 3.467 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2nc3c(s2)CCCC3)CC1 ZINC000106269937 1411186908 /nfs/dbraw/zinc/18/69/08/1411186908.db2.gz SKGFWJCEDIXOIB-UHFFFAOYSA-N 1 0 376.570 3.294 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(-c3nc(CC)no3)cc2)CC1 ZINC000106270531 1411187562 /nfs/dbraw/zinc/18/75/62/1411187562.db2.gz ZWOJHMNFUMCESP-UHFFFAOYSA-N 1 0 397.523 3.181 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)CC1 ZINC000106275093 1411188127 /nfs/dbraw/zinc/18/81/27/1411188127.db2.gz ZFDTZRICRDIKHU-UHFFFAOYSA-N 1 0 385.508 3.037 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)CC1 ZINC000106275019 1411188194 /nfs/dbraw/zinc/18/81/94/1411188194.db2.gz QFNPFDRQTQHVJV-LJQANCHMSA-N 1 0 385.508 3.345 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000106274866 1411188748 /nfs/dbraw/zinc/18/87/48/1411188748.db2.gz HEIWHYIRUUUFFH-UHFFFAOYSA-N 1 0 381.524 3.492 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000106276068 1411189458 /nfs/dbraw/zinc/18/94/58/1411189458.db2.gz QJEZCLYBFPSUQB-UHFFFAOYSA-N 1 0 375.513 3.194 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCn2c(-c3cccs3)n[nH]c2=S)CC1 ZINC000106291257 1411190797 /nfs/dbraw/zinc/19/07/97/1411190797.db2.gz YDUWLWVQIUPKHZ-UHFFFAOYSA-N 1 0 391.566 3.216 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CC1 ZINC000106349054 1411201171 /nfs/dbraw/zinc/20/11/71/1411201171.db2.gz PSGQYMAUGXAYGZ-UHFFFAOYSA-N 1 0 398.532 3.214 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000106349371 1411201375 /nfs/dbraw/zinc/20/13/75/1411201375.db2.gz KPRNNBHIWRHPBS-UHFFFAOYSA-N 1 0 377.488 3.449 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000106349214 1411201814 /nfs/dbraw/zinc/20/18/14/1411201814.db2.gz YYZVZOUGVDIHHK-UHFFFAOYSA-N 1 0 385.508 3.103 20 30 GGEDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(C#N)c3)cc2F)CC1 ZINC000106506647 1411226851 /nfs/dbraw/zinc/22/68/51/1411226851.db2.gz ACXDQYDJASXCHO-UHFFFAOYSA-N 1 0 381.455 3.161 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC000106562897 1411248143 /nfs/dbraw/zinc/24/81/43/1411248143.db2.gz NWMHQNWQUJHTOY-UHFFFAOYSA-N 1 0 399.539 3.023 20 30 GGEDRO COCC[N@H+](C)CCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106741547 1411291332 /nfs/dbraw/zinc/29/13/32/1411291332.db2.gz XGVWMWOGOQPZAF-UHFFFAOYSA-N 1 0 385.439 3.188 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000106752488 1411294498 /nfs/dbraw/zinc/29/44/98/1411294498.db2.gz BIKSGEVELBBYHJ-UHFFFAOYSA-N 1 0 394.306 3.487 20 30 GGEDRO N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)o2)cc1 ZINC000106787739 1411301658 /nfs/dbraw/zinc/30/16/58/1411301658.db2.gz MHDZVZHFKHLKJH-KRWDZBQOSA-N 1 0 379.460 3.477 20 30 GGEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccccc3-c3ccccc3C#N)C2)CC1 ZINC000106806479 1411305243 /nfs/dbraw/zinc/30/52/43/1411305243.db2.gz NYEDRRJDYBDMHO-FQEVSTJZSA-N 1 0 388.515 3.077 20 30 GGEDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106865581 1411311293 /nfs/dbraw/zinc/31/12/93/1411311293.db2.gz ZXMZRIGRAGWFTJ-YOEHRIQHSA-N 1 0 375.538 3.453 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCCC[C@H]2[C@@H](C)O)c1C#N ZINC000106865903 1411311694 /nfs/dbraw/zinc/31/16/94/1411311694.db2.gz DOMMRPQQCKZDGI-NQIIRXRSSA-N 1 0 394.519 3.199 20 30 GGEDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000106869477 1411313559 /nfs/dbraw/zinc/31/35/59/1411313559.db2.gz OWFHHTKDZHHHCI-HNNXBMFYSA-N 1 0 392.887 3.139 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1Cl ZINC000107537482 1411386030 /nfs/dbraw/zinc/38/60/30/1411386030.db2.gz YSJGAVIBWRGTJS-IBGZPJMESA-N 1 0 389.908 3.327 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCOC2)c1C#N ZINC000107692821 1411398536 /nfs/dbraw/zinc/39/85/36/1411398536.db2.gz SHWVNMVPUXBRFT-FQEVSTJZSA-N 1 0 394.519 3.322 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000177037150 1428562998 /nfs/dbraw/zinc/56/29/98/1428562998.db2.gz FBJUUWVRPBBUPW-UHFFFAOYSA-N 1 0 386.540 3.482 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107873823 1411425462 /nfs/dbraw/zinc/42/54/62/1411425462.db2.gz VTGITBDJWARDJE-IBGZPJMESA-N 1 0 385.508 3.057 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccoc2)n1 ZINC000108158654 1411445186 /nfs/dbraw/zinc/44/51/86/1411445186.db2.gz IRDWUWGSMXBQMA-UHFFFAOYSA-N 1 0 380.473 3.479 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC000108298456 1411468207 /nfs/dbraw/zinc/46/82/07/1411468207.db2.gz YZQAHZZNULUIDB-HXUWFJFHSA-N 1 0 391.519 3.295 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1C ZINC000108298458 1411468299 /nfs/dbraw/zinc/46/82/99/1411468299.db2.gz YZQAHZZNULUIDB-FQEVSTJZSA-N 1 0 391.519 3.295 20 30 GGEDRO CCC[NH+]1CCC(N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000177050470 1428569228 /nfs/dbraw/zinc/56/92/28/1428569228.db2.gz ROGCAJOVJUOSIC-UHFFFAOYSA-N 1 0 376.932 3.393 20 30 GGEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NC1(C#N)CCCCC1 ZINC000108363180 1411481661 /nfs/dbraw/zinc/48/16/61/1411481661.db2.gz HLYCOJYYWIZPBB-UHFFFAOYSA-N 1 0 397.498 3.423 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000108388960 1411487252 /nfs/dbraw/zinc/48/72/52/1411487252.db2.gz MWJLYFLXNSTHGB-QFIPXVFZSA-N 1 0 381.451 3.472 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000108493014 1411520139 /nfs/dbraw/zinc/52/01/39/1411520139.db2.gz MXRMWHNXEIAHRT-JTHBVZDNSA-N 1 0 398.478 3.077 20 30 GGEDRO C#CCOc1cccc(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000108519733 1411527230 /nfs/dbraw/zinc/52/72/30/1411527230.db2.gz QYFZSHCRBMBFGL-UHFFFAOYSA-N 1 0 381.476 3.351 20 30 GGEDRO C#CCOc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000108518658 1411527809 /nfs/dbraw/zinc/52/78/09/1411527809.db2.gz WOLDCFFXSNWKPN-UHFFFAOYSA-N 1 0 388.471 3.310 20 30 GGEDRO C#CCOc1ccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000108524501 1411529515 /nfs/dbraw/zinc/52/95/15/1411529515.db2.gz KPZVNFVPWQJVFB-UHFFFAOYSA-N 1 0 392.503 3.264 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccccc3F)s2)CC1 ZINC000108526573 1411530335 /nfs/dbraw/zinc/53/03/35/1411530335.db2.gz KLZMRBALULQTCE-UHFFFAOYSA-N 1 0 389.500 3.430 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccccc1 ZINC000108604190 1411548017 /nfs/dbraw/zinc/54/80/17/1411548017.db2.gz VHEPKADHGKXMQM-SFHVURJKSA-N 1 0 396.516 3.050 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)ccc1Cl ZINC000177067286 1428575469 /nfs/dbraw/zinc/57/54/69/1428575469.db2.gz KJXIMMBXZNEYSO-LJQANCHMSA-N 1 0 388.943 3.455 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]2C[NH+]2CCCC2)ccc1Cl ZINC000177067302 1428575543 /nfs/dbraw/zinc/57/55/43/1428575543.db2.gz KJXIMMBXZNEYSO-IBGZPJMESA-N 1 0 388.943 3.455 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C[N@@H+]1C1CC1 ZINC000177069957 1428577040 /nfs/dbraw/zinc/57/70/40/1428577040.db2.gz YZVWROGUSYPXJU-OXJNMPFZSA-N 1 0 375.472 3.492 20 30 GGEDRO N#Cc1ccsc1N1CC[C@@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000177077969 1428580343 /nfs/dbraw/zinc/58/03/43/1428580343.db2.gz MRLMOECKPCXKPI-IEBWSBKVSA-N 1 0 386.565 3.313 20 30 GGEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000109034385 1411667350 /nfs/dbraw/zinc/66/73/50/1411667350.db2.gz BHIRGQZOTLIUTM-CVEARBPZSA-N 1 0 388.537 3.010 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000109163163 1411698650 /nfs/dbraw/zinc/69/86/50/1411698650.db2.gz VQEAGRYLPNSILB-OAHLLOKOSA-N 1 0 376.526 3.001 20 30 GGEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NS(=O)(=O)CCCCC#N ZINC000109338871 1411743787 /nfs/dbraw/zinc/74/37/87/1411743787.db2.gz KYFOSWBMOYKTKZ-IBGZPJMESA-N 1 0 377.554 3.073 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000109380127 1411751004 /nfs/dbraw/zinc/75/10/04/1411751004.db2.gz QQDZGUCJWJTYGK-UHFFFAOYSA-N 1 0 384.524 3.379 20 30 GGEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cccc(OCC#N)c3)cc2)CC1 ZINC000109487321 1411773434 /nfs/dbraw/zinc/77/34/34/1411773434.db2.gz UNVHQVXISPCHSA-UHFFFAOYSA-N 1 0 378.476 3.372 20 30 GGEDRO C#CC[NH+]1CCC(c2nc(-c3cccc(Cn4nc(C)cc4C)c3)no2)CC1 ZINC000109586323 1411796843 /nfs/dbraw/zinc/79/68/43/1411796843.db2.gz QXRKTKPCUOZYSY-UHFFFAOYSA-N 1 0 375.476 3.411 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109761671 1411808195 /nfs/dbraw/zinc/80/81/95/1411808195.db2.gz LUWSMVBBZYOXSS-IBGZPJMESA-N 1 0 379.460 3.274 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000109765138 1411808583 /nfs/dbraw/zinc/80/85/83/1411808583.db2.gz NVHMIQOAIMRJEZ-SFHVURJKSA-N 1 0 376.460 3.054 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000109765141 1411808632 /nfs/dbraw/zinc/80/86/32/1411808632.db2.gz NVHMIQOAIMRJEZ-GOSISDBHSA-N 1 0 376.460 3.054 20 30 GGEDRO C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)c1 ZINC000110109538 1411831804 /nfs/dbraw/zinc/83/18/04/1411831804.db2.gz IIASCSKHGZPEJP-UHFFFAOYSA-N 1 0 391.515 3.291 20 30 GGEDRO C[C@H]1CCCN(c2cc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ncn2)C1 ZINC000110124532 1411832642 /nfs/dbraw/zinc/83/26/42/1411832642.db2.gz LUYGXZWDHCUJKY-IBGZPJMESA-N 1 0 390.535 3.297 20 30 GGEDRO N#CCOc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000110673681 1411863384 /nfs/dbraw/zinc/86/33/84/1411863384.db2.gz WRNCWWLEPAUUOM-SFHVURJKSA-N 1 0 383.517 3.221 20 30 GGEDRO CCOC(=O)CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CC1 ZINC000110987593 1411881008 /nfs/dbraw/zinc/88/10/08/1411881008.db2.gz PBJYTVIHGPMNJI-UHFFFAOYSA-N 1 0 377.872 3.205 20 30 GGEDRO CC[NH+](CC)[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000111034373 1411883180 /nfs/dbraw/zinc/88/31/80/1411883180.db2.gz RLYKRMQZMGVRDZ-HSZRJFAPSA-N 1 0 390.531 3.286 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc(NC(N)=O)cc2)C(=S)NC(C)(C)C)cc1 ZINC000111163153 1411892425 /nfs/dbraw/zinc/89/24/25/1411892425.db2.gz KNHNVNVYINXACL-UHFFFAOYSA-O 1 0 385.513 3.100 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc(NC(N)=O)cc1)[n+]1ccc(C)cc1 ZINC000111163137 1411892443 /nfs/dbraw/zinc/89/24/43/1411892443.db2.gz KVUNBPOJOCTIAD-UHFFFAOYSA-O 1 0 385.513 3.102 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(NC(N)=O)cc2)C(=S)NC(C)(C)C)cc1 ZINC000111163149 1411892504 /nfs/dbraw/zinc/89/25/04/1411892504.db2.gz QZWMBGOIHOJTNB-UHFFFAOYSA-O 1 0 399.540 3.354 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc(NC(N)=O)cc2)C(=S)NCC2CCC2)c1 ZINC000111163193 1411892608 /nfs/dbraw/zinc/89/26/08/1411892608.db2.gz GMVZBWJNOLTTTE-UHFFFAOYSA-O 1 0 397.524 3.102 20 30 GGEDRO C=CC1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000111257120 1411897815 /nfs/dbraw/zinc/89/78/15/1411897815.db2.gz VBGHNVGIEBMMRA-UHFFFAOYSA-N 1 0 383.414 3.000 20 30 GGEDRO C=CC1CC[NH+](CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)CC1 ZINC000111257217 1411897950 /nfs/dbraw/zinc/89/79/50/1411897950.db2.gz ZURBEXHTQWGFHH-UHFFFAOYSA-N 1 0 381.476 3.070 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111260930 1411898336 /nfs/dbraw/zinc/89/83/36/1411898336.db2.gz ZTYBLMRAAXMFNB-UHFFFAOYSA-N 1 0 381.455 3.142 20 30 GGEDRO C[C@H](O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000111287025 1411899528 /nfs/dbraw/zinc/89/95/28/1411899528.db2.gz ZFKAZSVPVAUYBM-KBPBESRZSA-N 1 0 375.538 3.166 20 30 GGEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1cccc(C#N)c1 ZINC000111391128 1411938919 /nfs/dbraw/zinc/93/89/19/1411938919.db2.gz DGOANLLOUAKBCZ-UHFFFAOYSA-N 1 0 386.293 3.459 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000111394341 1411941376 /nfs/dbraw/zinc/94/13/76/1411941376.db2.gz HEZHJQOABCONJC-UHFFFAOYSA-N 1 0 390.487 3.202 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000111407870 1411945994 /nfs/dbraw/zinc/94/59/94/1411945994.db2.gz IPMKKJOIYLHXPJ-DENIHFKCSA-N 1 0 379.504 3.011 20 30 GGEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000177174776 1428614299 /nfs/dbraw/zinc/61/42/99/1428614299.db2.gz GJFGAAAXZJUWIG-AVRDEDQJSA-N 1 0 377.488 3.369 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000111693411 1412012352 /nfs/dbraw/zinc/01/23/52/1412012352.db2.gz ZBKFZHFYQLODGK-QHCPKHFHSA-N 1 0 394.515 3.421 20 30 GGEDRO CC(C)[NH2+]C1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000111897027 1412046020 /nfs/dbraw/zinc/04/60/20/1412046020.db2.gz XSCUGHYCVSQXEC-UHFFFAOYSA-N 1 0 384.524 3.420 20 30 GGEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000111897398 1412046286 /nfs/dbraw/zinc/04/62/86/1412046286.db2.gz PDOXGFHIVMFHFC-GPJFCIFZSA-N 1 0 382.508 3.128 20 30 GGEDRO CN(CC1CC[NH+](C)CC1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000111897143 1412046451 /nfs/dbraw/zinc/04/64/51/1412046451.db2.gz XJBOKIULLKLJIH-UHFFFAOYSA-N 1 0 384.524 3.231 20 30 GGEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000111911646 1412050175 /nfs/dbraw/zinc/05/01/75/1412050175.db2.gz IDFZHLLEYHKHKW-KRWDZBQOSA-N 1 0 392.503 3.063 20 30 GGEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000111911647 1412050710 /nfs/dbraw/zinc/05/07/10/1412050710.db2.gz IDFZHLLEYHKHKW-QGZVFWFLSA-N 1 0 392.503 3.063 20 30 GGEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000111914400 1412052459 /nfs/dbraw/zinc/05/24/59/1412052459.db2.gz KMNQTCSVBDZVRG-CQSZACIVSA-N 1 0 390.915 3.167 20 30 GGEDRO C=CC[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)CC1CCCCC1 ZINC000112202292 1412092846 /nfs/dbraw/zinc/09/28/46/1412092846.db2.gz MHMFVPWNFYCNSZ-UHFFFAOYSA-N 1 0 397.563 3.494 20 30 GGEDRO CN(Cc1cccc(C#N)c1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112217231 1412095048 /nfs/dbraw/zinc/09/50/48/1412095048.db2.gz PRFHJGWTMFCTMY-UHFFFAOYSA-N 1 0 386.565 3.451 20 30 GGEDRO CCOc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000112236030 1412098781 /nfs/dbraw/zinc/09/87/81/1412098781.db2.gz YSRQONJABNSINE-UHFFFAOYSA-N 1 0 386.883 3.209 20 30 GGEDRO C=CCNC(=O)c1ccc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc1 ZINC000112555036 1412168325 /nfs/dbraw/zinc/16/83/25/1412168325.db2.gz HMYKHIRHJOENCU-UHFFFAOYSA-N 1 0 378.520 3.142 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000112678024 1412190900 /nfs/dbraw/zinc/19/09/00/1412190900.db2.gz WWAFNQHCURYCNV-IAGOWNOFSA-N 1 0 390.553 3.297 20 30 GGEDRO N#Cc1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000112755298 1412211889 /nfs/dbraw/zinc/21/18/89/1412211889.db2.gz GCABQDOGSHIEPD-UHFFFAOYSA-N 1 0 390.487 3.189 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000112755288 1412211950 /nfs/dbraw/zinc/21/19/50/1412211950.db2.gz UOAWLIRUIJTTLU-UHFFFAOYSA-N 1 0 389.499 3.299 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000112821131 1412221735 /nfs/dbraw/zinc/22/17/35/1412221735.db2.gz HCVUEEDXULKGGS-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(C)C ZINC000112919940 1412240175 /nfs/dbraw/zinc/24/01/75/1412240175.db2.gz RHMIQJYCCBMYAK-MJGOQNOKSA-N 1 0 387.549 3.304 20 30 GGEDRO C=CCc1cc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)cc(OC)c1O ZINC000113316452 1412291784 /nfs/dbraw/zinc/29/17/84/1412291784.db2.gz QDAYPRYCHYUQHG-IBGZPJMESA-N 1 0 386.492 3.194 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCC(=O)NC2CCCCC2)c(-c2ccccc2)n1 ZINC000113325723 1412292323 /nfs/dbraw/zinc/29/23/23/1412292323.db2.gz UPYTVJHELBIEPX-UHFFFAOYSA-N 1 0 379.508 3.392 20 30 GGEDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000113326372 1412292507 /nfs/dbraw/zinc/29/25/07/1412292507.db2.gz GZBOISJZHBROJZ-UHFFFAOYSA-N 1 0 387.487 3.292 20 30 GGEDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000113328854 1412293080 /nfs/dbraw/zinc/29/30/80/1412293080.db2.gz IKBVJHYKXMZOQA-UHFFFAOYSA-N 1 0 394.500 3.157 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000113331165 1412293446 /nfs/dbraw/zinc/29/34/46/1412293446.db2.gz FHTMLIKNVSITIW-KRWDZBQOSA-N 1 0 377.414 3.190 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCC(=O)N2CCCCCC2)c(-c2ccccc2)n1 ZINC000113331473 1412294007 /nfs/dbraw/zinc/29/40/07/1412294007.db2.gz AXCOVZYNJYPAOK-UHFFFAOYSA-N 1 0 379.508 3.346 20 30 GGEDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000113345044 1412294919 /nfs/dbraw/zinc/29/49/19/1412294919.db2.gz KNSZHGJULNZTOI-UHFFFAOYSA-N 1 0 386.517 3.440 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)ccc1OC ZINC000113348104 1412296024 /nfs/dbraw/zinc/29/60/24/1412296024.db2.gz ZXPCBIICRAZNEY-SFHVURJKSA-N 1 0 377.448 3.451 20 30 GGEDRO O=C(NCC[NH2+]Cc1cccc(OCC2CCCCC2)c1)C1N=CC=CC1=O ZINC000113360782 1412298367 /nfs/dbraw/zinc/29/83/67/1412298367.db2.gz DLSKKVRBTMOUGR-DQRAZIAOSA-N 1 0 383.492 3.262 20 30 GGEDRO CC[C@H](CNC(=O)NCc1cccc(OCC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000113374505 1412300299 /nfs/dbraw/zinc/30/02/99/1412300299.db2.gz OUEOPKYHGJNLSO-OAQYLSRUSA-N 1 0 392.503 3.225 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000113390212 1412302780 /nfs/dbraw/zinc/30/27/80/1412302780.db2.gz SHGVHCRUWGWYDB-IAGOWNOFSA-N 1 0 394.560 3.066 20 30 GGEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000113405141 1412303985 /nfs/dbraw/zinc/30/39/85/1412303985.db2.gz VDORLBHWCHYHAM-LJQANCHMSA-N 1 0 384.524 3.376 20 30 GGEDRO N#CCOc1cccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000113409383 1412304276 /nfs/dbraw/zinc/30/42/76/1412304276.db2.gz QCBJMYPBFYVFPO-OAQYLSRUSA-N 1 0 378.476 3.225 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000113453551 1412307018 /nfs/dbraw/zinc/30/70/18/1412307018.db2.gz XYIJUYXDJNLFNR-GOSISDBHSA-N 1 0 379.508 3.104 20 30 GGEDRO C=CCSCCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000113606467 1412321284 /nfs/dbraw/zinc/32/12/84/1412321284.db2.gz YMNMUQIODBDRGR-QGZVFWFLSA-N 1 0 377.554 3.105 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC)ccc1OC ZINC000113620865 1412322537 /nfs/dbraw/zinc/32/25/37/1412322537.db2.gz RFJBDQNNLNNFSV-MSOLQXFVSA-N 1 0 388.512 3.050 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113900455 1412347648 /nfs/dbraw/zinc/34/76/48/1412347648.db2.gz BEDNMAXGFCJXTC-RXVVDRJESA-N 1 0 399.583 3.459 20 30 GGEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000113971924 1412360909 /nfs/dbraw/zinc/36/09/09/1412360909.db2.gz POSHBDFWOOJBIW-FQEVSTJZSA-N 1 0 380.492 3.299 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(OCC#N)c2)C1 ZINC000114028936 1412371456 /nfs/dbraw/zinc/37/14/56/1412371456.db2.gz GHIHVSPDKLOTIK-ICSRJNTNSA-N 1 0 384.524 3.385 20 30 GGEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccccc1 ZINC000114032175 1412372655 /nfs/dbraw/zinc/37/26/55/1412372655.db2.gz KYWURAVZZRVYSD-SFHVURJKSA-N 1 0 380.492 3.099 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)NCc1cccc(Cl)c1 ZINC000114039402 1412373594 /nfs/dbraw/zinc/37/35/94/1412373594.db2.gz CIXONLZGPAFMPH-UHFFFAOYSA-N 1 0 382.899 3.403 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000114044002 1412374316 /nfs/dbraw/zinc/37/43/16/1412374316.db2.gz BMSBMGBJHYCLTR-OALUTQOASA-N 1 0 399.535 3.303 20 30 GGEDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000114187706 1412389426 /nfs/dbraw/zinc/38/94/26/1412389426.db2.gz LKLKZJCDWPBFKS-SJORKVTESA-N 1 0 375.538 3.453 20 30 GGEDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000114187700 1412389921 /nfs/dbraw/zinc/38/99/21/1412389921.db2.gz LKLKZJCDWPBFKS-IRXDYDNUSA-N 1 0 375.538 3.453 20 30 GGEDRO COC(=O)CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000114476218 1412442115 /nfs/dbraw/zinc/44/21/15/1412442115.db2.gz BVYGNERALHATRN-UHFFFAOYSA-N 1 0 388.512 3.304 20 30 GGEDRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000114488305 1412442920 /nfs/dbraw/zinc/44/29/20/1412442920.db2.gz FEDFPMHUPZNLSE-IBGZPJMESA-N 1 0 394.541 3.477 20 30 GGEDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000114488303 1412443288 /nfs/dbraw/zinc/44/32/88/1412443288.db2.gz FEDFPMHUPZNLSE-LJQANCHMSA-N 1 0 394.541 3.477 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114642705 1412483781 /nfs/dbraw/zinc/48/37/81/1412483781.db2.gz MVVZQDGOAFUPGU-OAQYLSRUSA-N 1 0 393.535 3.127 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000114738557 1412514847 /nfs/dbraw/zinc/51/48/47/1412514847.db2.gz QRNYORQIQMZVPO-UHFFFAOYSA-N 1 0 389.546 3.119 20 30 GGEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000114747835 1412516881 /nfs/dbraw/zinc/51/68/81/1412516881.db2.gz AGJFVMBASIKODB-BEFAXECRSA-N 1 0 379.460 3.340 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000114747460 1412517024 /nfs/dbraw/zinc/51/70/24/1412517024.db2.gz DNFSZHMBOSVNPJ-CVEARBPZSA-N 1 0 376.460 3.363 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000114746885 1412517076 /nfs/dbraw/zinc/51/70/76/1412517076.db2.gz LPQSYVLBRGNEAG-VFNWGFHPSA-N 1 0 388.471 3.363 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000114746881 1412517174 /nfs/dbraw/zinc/51/71/74/1412517174.db2.gz LPQSYVLBRGNEAG-QVKFZJNVSA-N 1 0 388.471 3.363 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3c[nH]c4ccc(F)cc34)CC2)cc1 ZINC000115323725 1412647700 /nfs/dbraw/zinc/64/77/00/1412647700.db2.gz NKABVYRRHZIRBT-UHFFFAOYSA-N 1 0 390.462 3.456 20 30 GGEDRO N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)c2)cc1 ZINC000115376039 1412660901 /nfs/dbraw/zinc/66/09/01/1412660901.db2.gz DVBBAYRPTORYSM-NRFANRHFSA-N 1 0 375.472 3.351 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000115372850 1412661045 /nfs/dbraw/zinc/66/10/45/1412661045.db2.gz DXSWYEBFUNDLJK-AZUAARDMSA-N 1 0 389.927 3.016 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 ZINC000115372852 1412661079 /nfs/dbraw/zinc/66/10/79/1412661079.db2.gz DXSWYEBFUNDLJK-QUCCMNQESA-N 1 0 389.927 3.016 20 30 GGEDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000115511647 1412697659 /nfs/dbraw/zinc/69/76/59/1412697659.db2.gz AJXDNRMCFHWCLE-BVZALQNUSA-N 1 0 388.471 3.161 20 30 GGEDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000115512921 1412699420 /nfs/dbraw/zinc/69/94/20/1412699420.db2.gz OMULPKXATVQNSI-UTKZUKDTSA-N 1 0 388.471 3.158 20 30 GGEDRO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000115532503 1412702763 /nfs/dbraw/zinc/70/27/63/1412702763.db2.gz ZYJVLQQOFZRTRK-QHCPKHFHSA-N 1 0 384.483 3.056 20 30 GGEDRO CC1CCC([NH+]2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)CC1 ZINC000115566606 1412713909 /nfs/dbraw/zinc/71/39/09/1412713909.db2.gz XCVYZVJMWSHHNA-UHFFFAOYSA-N 1 0 386.565 3.437 20 30 GGEDRO CC1CC[NH+](Cc2ccccc2CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115597035 1412725231 /nfs/dbraw/zinc/72/52/31/1412725231.db2.gz QFIBAEYCTIYRPJ-JOCHJYFZSA-N 1 0 376.504 3.106 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C(N)=O)cc1 ZINC000115599661 1412726691 /nfs/dbraw/zinc/72/66/91/1412726691.db2.gz SELNVHHOCXWORP-LJQANCHMSA-N 1 0 383.879 3.076 20 30 GGEDRO N#Cc1ccc([C@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)C(N)=O)cc1 ZINC000115598633 1412727281 /nfs/dbraw/zinc/72/72/81/1412727281.db2.gz XNOXNVKYIDMWHM-QFIPXVFZSA-N 1 0 376.504 3.250 20 30 GGEDRO N#Cc1ccc([C@@H](NCc2ccc(C[NH+]3CCCCCC3)cc2)C(N)=O)cc1 ZINC000115598635 1412727695 /nfs/dbraw/zinc/72/76/95/1412727695.db2.gz XNOXNVKYIDMWHM-JOCHJYFZSA-N 1 0 376.504 3.250 20 30 GGEDRO N#Cc1cccc(OCC[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000177288219 1428672353 /nfs/dbraw/zinc/67/23/53/1428672353.db2.gz YCXUWAHOUVYQIH-UHFFFAOYSA-N 1 0 377.488 3.104 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116562182 1412877605 /nfs/dbraw/zinc/87/76/05/1412877605.db2.gz JZQPWJDVSFQWOW-FXAWDEMLSA-N 1 0 398.457 3.466 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116562188 1412877613 /nfs/dbraw/zinc/87/76/13/1412877613.db2.gz JZQPWJDVSFQWOW-XLIONFOSSA-N 1 0 398.457 3.466 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116754170 1412916541 /nfs/dbraw/zinc/91/65/41/1412916541.db2.gz JDUHNEFWQSAQHD-UHFFFAOYSA-N 1 0 381.860 3.174 20 30 GGEDRO COc1cc(C[N@H+](C)[C@@H]2CCCCNC2=O)ccc1OCc1cccc(C#N)c1 ZINC000116878386 1412946926 /nfs/dbraw/zinc/94/69/26/1412946926.db2.gz HUQLBGPPJGIVCL-HXUWFJFHSA-N 1 0 393.487 3.246 20 30 GGEDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000116879354 1412947183 /nfs/dbraw/zinc/94/71/83/1412947183.db2.gz BARTXTCPZJSICE-FQEVSTJZSA-N 1 0 393.487 3.104 20 30 GGEDRO COc1cc(C[NH+]2CCC3(CC2)OCCO3)ccc1OCc1cccc(C#N)c1 ZINC000116877086 1412947799 /nfs/dbraw/zinc/94/77/99/1412947799.db2.gz JWUGYGKMRKJYQB-UHFFFAOYSA-N 1 0 394.471 3.485 20 30 GGEDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116879734 1412947823 /nfs/dbraw/zinc/94/78/23/1412947823.db2.gz HGMZZYUPNYUGOZ-INIZCTEOSA-N 1 0 382.460 3.387 20 30 GGEDRO CS[C@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000117507334 1413044280 /nfs/dbraw/zinc/04/42/80/1413044280.db2.gz KBUGIGMHMUSFLK-UXHICEINSA-N 1 0 386.565 3.450 20 30 GGEDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)[NH+](C)C ZINC000118098350 1413108603 /nfs/dbraw/zinc/10/86/03/1413108603.db2.gz XYSAVGNPPOXHQQ-QGZVFWFLSA-N 1 0 390.553 3.113 20 30 GGEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000118114913 1413112172 /nfs/dbraw/zinc/11/21/72/1413112172.db2.gz QTLXSBOTGISDJN-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000118114051 1413112232 /nfs/dbraw/zinc/11/22/32/1413112232.db2.gz REHBOJGAWKMTSD-LJQANCHMSA-N 1 0 384.524 3.197 20 30 GGEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000118118096 1413112712 /nfs/dbraw/zinc/11/27/12/1413112712.db2.gz HVLRMQSXJKVATQ-INIZCTEOSA-N 1 0 394.475 3.136 20 30 GGEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000118118037 1413112739 /nfs/dbraw/zinc/11/27/39/1413112739.db2.gz PNFDQDIJLURODK-MRXNPFEDSA-N 1 0 394.475 3.136 20 30 GGEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000118118038 1413112804 /nfs/dbraw/zinc/11/28/04/1413112804.db2.gz PNFDQDIJLURODK-INIZCTEOSA-N 1 0 394.475 3.136 20 30 GGEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)C ZINC000118119346 1413112857 /nfs/dbraw/zinc/11/28/57/1413112857.db2.gz PTFNIVLQJFINPY-UHFFFAOYSA-N 1 0 394.475 3.136 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000118131295 1413115137 /nfs/dbraw/zinc/11/51/37/1413115137.db2.gz MRZRHWPHKCUTKF-OAHLLOKOSA-N 1 0 388.537 3.010 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccccc1OC(F)F ZINC000118210287 1413123511 /nfs/dbraw/zinc/12/35/11/1413123511.db2.gz DUOGZOAZBQJFPI-UHFFFAOYSA-N 1 0 387.430 3.293 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CN(Cc2cccnc2)c2ccccc2)CC1 ZINC000118334498 1413152216 /nfs/dbraw/zinc/15/22/16/1413152216.db2.gz RDIQJIJAJCCFMH-UHFFFAOYSA-N 1 0 378.520 3.245 20 30 GGEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000118802201 1413224487 /nfs/dbraw/zinc/22/44/87/1413224487.db2.gz BXWZAUCKOJNVBD-ZDUSSCGKSA-N 1 0 384.402 3.305 20 30 GGEDRO N#Cc1c(NC(=O)CN2CCC[C@H]([NH+]3CCCC3)C2)sc2c1CCCCC2 ZINC000118829796 1413236349 /nfs/dbraw/zinc/23/63/49/1413236349.db2.gz NWOHHFSYAQROKC-INIZCTEOSA-N 1 0 386.565 3.387 20 30 GGEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837450 1413240302 /nfs/dbraw/zinc/24/03/02/1413240302.db2.gz XKNGMUMYHWDBAS-INIZCTEOSA-N 1 0 379.508 3.473 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]2C(C)(C)O)c1C#N ZINC000118980235 1413287411 /nfs/dbraw/zinc/28/74/11/1413287411.db2.gz RCWJDZMTNFYAJP-IBGZPJMESA-N 1 0 398.507 3.182 20 30 GGEDRO Cc1sc2nc(CN3CC[NH+](CC(C)(C)CCC#N)CC3)[nH]c(=O)c2c1C ZINC000119017852 1413305587 /nfs/dbraw/zinc/30/55/87/1413305587.db2.gz JMYMCAOSTQRBGZ-UHFFFAOYSA-N 1 0 387.553 3.049 20 30 GGEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000119029408 1413310897 /nfs/dbraw/zinc/31/08/97/1413310897.db2.gz TYMSNCSGRNCXNZ-DBVUQKKJSA-N 1 0 381.524 3.288 20 30 GGEDRO CC(C)n1cc(C#N)c(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000177397869 1428717956 /nfs/dbraw/zinc/71/79/56/1428717956.db2.gz LMNPISRVKMBEJE-UHFFFAOYSA-N 1 0 380.496 3.118 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000119139595 1413352429 /nfs/dbraw/zinc/35/24/29/1413352429.db2.gz WGNLZKMZDBPYPG-HSZRJFAPSA-N 1 0 386.499 3.484 20 30 GGEDRO C#CCOc1cc(F)ccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000119163159 1413361074 /nfs/dbraw/zinc/36/10/74/1413361074.db2.gz ZUMOWMUSPLNDMQ-UHFFFAOYSA-N 1 0 396.462 3.294 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000119284120 1413398945 /nfs/dbraw/zinc/39/89/45/1413398945.db2.gz VNJCYWMMCPBLNB-NRFANRHFSA-N 1 0 383.536 3.320 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000119349887 1413420457 /nfs/dbraw/zinc/42/04/57/1413420457.db2.gz QHKDDGWWCRERKK-GOSISDBHSA-N 1 0 397.544 3.410 20 30 GGEDRO N#Cc1cc(CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000119378596 1413429735 /nfs/dbraw/zinc/42/97/35/1413429735.db2.gz YOHWQSBIOFJYHK-HXUWFJFHSA-N 1 0 393.510 3.127 20 30 GGEDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000177417180 1428727677 /nfs/dbraw/zinc/72/76/77/1428727677.db2.gz UCOYHKXCCVVLOE-ORAYPTAESA-N 1 0 385.851 3.290 20 30 GGEDRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000177417196 1428727730 /nfs/dbraw/zinc/72/77/30/1428727730.db2.gz UCOYHKXCCVVLOE-BFUOFWGJSA-N 1 0 385.851 3.290 20 30 GGEDRO CC(C)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000119633361 1413510371 /nfs/dbraw/zinc/51/03/71/1413510371.db2.gz MZQDZKGSRWCBTF-JOCHJYFZSA-N 1 0 397.544 3.061 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000119654508 1413517384 /nfs/dbraw/zinc/51/73/84/1413517384.db2.gz WPMFSOGTAQBCGG-IBGZPJMESA-N 1 0 399.535 3.160 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000119699902 1413537193 /nfs/dbraw/zinc/53/71/93/1413537193.db2.gz AJSKWHUXDWNRPF-UWJYYQICSA-N 1 0 379.529 3.428 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000119729509 1413547150 /nfs/dbraw/zinc/54/71/50/1413547150.db2.gz BDAVGGLIVTXIFC-UHFFFAOYSA-N 1 0 376.382 3.182 20 30 GGEDRO COc1cccc(CN(CC(=O)NC2(C#N)CCCCC2)C[C@H]2CCCO2)c1 ZINC000119754280 1413556322 /nfs/dbraw/zinc/55/63/22/1413556322.db2.gz PDODFBXAGQRSPU-HXUWFJFHSA-N 1 0 385.508 3.019 20 30 GGEDRO C#Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000119835478 1413587018 /nfs/dbraw/zinc/58/70/18/1413587018.db2.gz MHWZNLFMUCIWSS-VXKWHMMOSA-N 1 0 382.552 3.469 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000119835454 1413587089 /nfs/dbraw/zinc/58/70/89/1413587089.db2.gz LRONJUWSGMVDAK-UHFFFAOYSA-N 1 0 386.414 3.111 20 30 GGEDRO C[C@@H]1C[C@H](N(C)C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000119966905 1413635245 /nfs/dbraw/zinc/63/52/45/1413635245.db2.gz PBEZRUSPGVMYIZ-WIYYLYMNSA-N 1 0 390.483 3.278 20 30 GGEDRO COc1ccc(C[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1OCCCC#N ZINC000119992238 1413645474 /nfs/dbraw/zinc/64/54/74/1413645474.db2.gz URTPYPMFKNWSNW-ROUUACIJSA-N 1 0 389.540 3.355 20 30 GGEDRO N#Cc1ccc(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000120008348 1413651858 /nfs/dbraw/zinc/65/18/58/1413651858.db2.gz NBRNPSTVAHQIOZ-UHFFFAOYSA-N 1 0 382.895 3.010 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1C#N ZINC000120038828 1413664107 /nfs/dbraw/zinc/66/41/07/1413664107.db2.gz HZMYFHWRSJBNGL-GOSISDBHSA-N 1 0 382.533 3.401 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c1C#N ZINC000120038979 1413664165 /nfs/dbraw/zinc/66/41/65/1413664165.db2.gz HZMYFHWRSJBNGL-SFHVURJKSA-N 1 0 382.533 3.401 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000120096856 1413686233 /nfs/dbraw/zinc/68/62/33/1413686233.db2.gz LZPCWMKBXFGHCS-HUUCEWRRSA-N 1 0 392.525 3.231 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000120143347 1413705218 /nfs/dbraw/zinc/70/52/18/1413705218.db2.gz MTNJQPOEFARNAD-UHFFFAOYSA-N 1 0 385.512 3.012 20 30 GGEDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000120192279 1413725080 /nfs/dbraw/zinc/72/50/80/1413725080.db2.gz DPWUPULVVWAISZ-UHFFFAOYSA-N 1 0 391.475 3.275 20 30 GGEDRO CCCNC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Cl ZINC000120192350 1413725729 /nfs/dbraw/zinc/72/57/29/1413725729.db2.gz BXHVVADOOJVEPO-UHFFFAOYSA-N 1 0 393.919 3.179 20 30 GGEDRO C#CCCCCC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000120206763 1413730411 /nfs/dbraw/zinc/73/04/11/1413730411.db2.gz LKULVWYHGGDIDB-UHFFFAOYSA-N 1 0 381.442 3.267 20 30 GGEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCC[NH+](C)C ZINC000120206569 1413730518 /nfs/dbraw/zinc/73/05/18/1413730518.db2.gz DOVZZXFUYMTVOP-UHFFFAOYSA-N 1 0 386.521 3.316 20 30 GGEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)CN1CCOCC1 ZINC000120301726 1413774708 /nfs/dbraw/zinc/77/47/08/1413774708.db2.gz OFWUPQNZTYZWJJ-IBGZPJMESA-N 1 0 379.504 3.195 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000120316235 1413782323 /nfs/dbraw/zinc/78/23/23/1413782323.db2.gz YOPKTWFJOLOJHZ-SFHVURJKSA-N 1 0 384.505 3.070 20 30 GGEDRO CC(=O)Nc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000120325353 1413787203 /nfs/dbraw/zinc/78/72/03/1413787203.db2.gz JDAPNRCHAZGRDI-UHFFFAOYSA-N 1 0 393.491 3.421 20 30 GGEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000120350639 1413799790 /nfs/dbraw/zinc/79/97/90/1413799790.db2.gz IHHYGXOCMGKLLX-GOSISDBHSA-N 1 0 392.503 3.025 20 30 GGEDRO C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)CN1CCOCC1 ZINC000120358500 1413801329 /nfs/dbraw/zinc/80/13/29/1413801329.db2.gz XIAAUYGGJAUEPV-LJQANCHMSA-N 1 0 379.504 3.195 20 30 GGEDRO CN(C)c1ccc(C(N)=[NH+]OCc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000120364171 1413803026 /nfs/dbraw/zinc/80/30/26/1413803026.db2.gz WJTLOAHTUBPBDV-UHFFFAOYSA-N 1 0 392.459 3.113 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000120455007 1413821585 /nfs/dbraw/zinc/82/15/85/1413821585.db2.gz KSCXFESLAHBWEM-KRWDZBQOSA-N 1 0 384.505 3.070 20 30 GGEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000120475724 1413826305 /nfs/dbraw/zinc/82/63/05/1413826305.db2.gz CLBHTAPWBFZOCP-SFHVURJKSA-N 1 0 377.488 3.473 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000120574375 1413846830 /nfs/dbraw/zinc/84/68/30/1413846830.db2.gz JLAWNKILTDOQGU-UHFFFAOYSA-N 1 0 394.500 3.408 20 30 GGEDRO C[C@H](C1CC1)N(C(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000177479539 1428760340 /nfs/dbraw/zinc/76/03/40/1428760340.db2.gz VBZRPAOYUYUVHH-QGZVFWFLSA-N 1 0 398.551 3.099 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000120673387 1413871707 /nfs/dbraw/zinc/87/17/07/1413871707.db2.gz GMBRZBDBGXBRJS-UHFFFAOYSA-N 1 0 381.398 3.283 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1C#N ZINC000120731287 1413887274 /nfs/dbraw/zinc/88/72/74/1413887274.db2.gz WVHJTUASFWIMLV-QZTJIDSGSA-N 1 0 398.507 3.039 20 30 GGEDRO C#CCOc1ccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000120750240 1413892100 /nfs/dbraw/zinc/89/21/00/1413892100.db2.gz SVLCMRBROZCQOK-LJQANCHMSA-N 1 0 392.499 3.328 20 30 GGEDRO C#CCOc1ccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000120750083 1413892227 /nfs/dbraw/zinc/89/22/27/1413892227.db2.gz SVLCMRBROZCQOK-IBGZPJMESA-N 1 0 392.499 3.328 20 30 GGEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000120763962 1413896025 /nfs/dbraw/zinc/89/60/25/1413896025.db2.gz SLIQJDWNUBNYJU-KRWDZBQOSA-N 1 0 378.476 3.441 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000177492829 1428767429 /nfs/dbraw/zinc/76/74/29/1428767429.db2.gz HRMOOKZAKSXWSB-QMTYFTJSSA-N 1 0 377.554 3.167 20 30 GGEDRO CC(C)OCC[NH+]1CCC(N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000177490131 1428765782 /nfs/dbraw/zinc/76/57/82/1428765782.db2.gz XUEMLKMMIRBZIW-HNNXBMFYSA-N 1 0 392.931 3.018 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000120851270 1413926574 /nfs/dbraw/zinc/92/65/74/1413926574.db2.gz PADOIZIZPGGXGI-NQIIRXRSSA-N 1 0 377.488 3.301 20 30 GGEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c1 ZINC000120887431 1413938149 /nfs/dbraw/zinc/93/81/49/1413938149.db2.gz WWTLVOIWLMZJEK-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3CCS(=O)(=O)CC3)c2)c1 ZINC000120927385 1413950755 /nfs/dbraw/zinc/95/07/55/1413950755.db2.gz ABFAAOORNALUAM-UHFFFAOYSA-N 1 0 384.501 3.052 20 30 GGEDRO COc1cc(C#N)ccc1C[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000120948056 1413956570 /nfs/dbraw/zinc/95/65/70/1413956570.db2.gz KJFRQOYTOJRPDP-KRWDZBQOSA-N 1 0 394.393 3.457 20 30 GGEDRO CCc1c(C(=O)CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)[nH]c(C)c1C(C)=O ZINC000121009467 1413975456 /nfs/dbraw/zinc/97/54/56/1413975456.db2.gz ANOHWCKPLNNYPL-YDZHTSKRSA-N 1 0 397.475 3.158 20 30 GGEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177505952 1428773827 /nfs/dbraw/zinc/77/38/27/1428773827.db2.gz RRRZNCHEMUBPJX-FHWLQOOXSA-N 1 0 398.551 3.097 20 30 GGEDRO C[NH+]1CCN(c2ccc(CNc3cc(C#N)ccc3C(F)(F)F)cn2)CC1 ZINC000121109513 1414011225 /nfs/dbraw/zinc/01/12/25/1414011225.db2.gz HPUMWFVTLCPCBV-UHFFFAOYSA-N 1 0 375.398 3.336 20 30 GGEDRO COc1ccc(C)cc1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000121172838 1414032633 /nfs/dbraw/zinc/03/26/33/1414032633.db2.gz ABTLRZWYFLWPBA-UHFFFAOYSA-N 1 0 394.519 3.191 20 30 GGEDRO CC(C)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](O)c1ccc(F)cc1 ZINC000121295817 1414075387 /nfs/dbraw/zinc/07/53/87/1414075387.db2.gz VZGLYDOVWZSOJL-LJQANCHMSA-N 1 0 375.488 3.160 20 30 GGEDRO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000121307129 1414079070 /nfs/dbraw/zinc/07/90/70/1414079070.db2.gz MAUKYTHVCCPSLJ-UHFFFAOYSA-N 1 0 379.460 3.426 20 30 GGEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000121316794 1414081343 /nfs/dbraw/zinc/08/13/43/1414081343.db2.gz LKHHQNZQFQBUDD-UHFFFAOYSA-N 1 0 381.451 3.234 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000121429014 1414118752 /nfs/dbraw/zinc/11/87/52/1414118752.db2.gz IZAINYQEFUPMQS-UHFFFAOYSA-N 1 0 378.358 3.088 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H]3C(=O)NC3CC3)c2)c1 ZINC000121494525 1414149166 /nfs/dbraw/zinc/14/91/66/1414149166.db2.gz GJMVGKYVRIDMDQ-QFIPXVFZSA-N 1 0 375.472 3.380 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000121601647 1414195445 /nfs/dbraw/zinc/19/54/45/1414195445.db2.gz HPYGXSCSQRKNJW-UXHICEINSA-N 1 0 384.524 3.377 20 30 GGEDRO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121633971 1414207346 /nfs/dbraw/zinc/20/73/46/1414207346.db2.gz SLYJQYOFLOGDJB-UHFFFAOYSA-N 1 0 383.517 3.081 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1nnn(-c2cccc3cnccc32)c1C ZINC000121714762 1414233633 /nfs/dbraw/zinc/23/36/33/1414233633.db2.gz GWXYSBWMKKOBRI-MRXNPFEDSA-N 1 0 391.475 3.014 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccccc1 ZINC000121825424 1414270162 /nfs/dbraw/zinc/27/01/62/1414270162.db2.gz YWAJYHRSBHFHAB-UHFFFAOYSA-O 1 0 394.520 3.205 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2nc([C@H](C)SCC)no2)CC1 ZINC000121874522 1414287019 /nfs/dbraw/zinc/28/70/19/1414287019.db2.gz QMWRNCGUMSXVBE-AWEZNQCLSA-N 1 0 381.546 3.066 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2nc([C@@H](C)SCC)no2)CC1 ZINC000121874680 1414287061 /nfs/dbraw/zinc/28/70/61/1414287061.db2.gz QMWRNCGUMSXVBE-CQSZACIVSA-N 1 0 381.546 3.066 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)N(C)[C@H](C)CC#N)ccc1Cl ZINC000122001967 1414336597 /nfs/dbraw/zinc/33/65/97/1414336597.db2.gz NWKRYHLHHYHXRN-CQSZACIVSA-N 1 0 393.919 3.177 20 30 GGEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000122080272 1414357759 /nfs/dbraw/zinc/35/77/59/1414357759.db2.gz UBOZWBQQJGAYIS-SFHVURJKSA-N 1 0 379.426 3.327 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000122148973 1414373687 /nfs/dbraw/zinc/37/36/87/1414373687.db2.gz MBBFKNSJBWLASD-UHFFFAOYSA-N 1 0 390.553 3.210 20 30 GGEDRO C[NH+]=C(NCc1nc(C)cs1)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000177598538 1428807062 /nfs/dbraw/zinc/80/70/62/1428807062.db2.gz IYLAVLOGSRSHGZ-AWEZNQCLSA-N 1 0 393.944 3.057 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)CC1 ZINC000122383941 1414442384 /nfs/dbraw/zinc/44/23/84/1414442384.db2.gz MKLOEWKSLNVLNV-UHFFFAOYSA-N 1 0 390.409 3.483 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000122414816 1414452538 /nfs/dbraw/zinc/45/25/38/1414452538.db2.gz BKJBXRGMVBUXNY-OAHLLOKOSA-N 1 0 399.457 3.026 20 30 GGEDRO Cc1cc(C(O)=CONC(=[NH2+])Cc2cccnc2)c(C)n1Cc1ccccc1 ZINC000122417241 1414453597 /nfs/dbraw/zinc/45/35/97/1414453597.db2.gz QFCJLICFLMLGBF-UHFFFAOYSA-N 1 0 376.460 3.262 20 30 GGEDRO N#Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000122485345 1414477688 /nfs/dbraw/zinc/47/76/88/1414477688.db2.gz KZLPNLCRTPJXSS-UNMCSNQZSA-N 1 0 395.528 3.233 20 30 GGEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000177621319 1428813060 /nfs/dbraw/zinc/81/30/60/1428813060.db2.gz JPDOVPSEMDVPHL-QFIPXVFZSA-N 1 0 394.563 3.247 20 30 GGEDRO COCCCOC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000122574911 1414504924 /nfs/dbraw/zinc/50/49/24/1414504924.db2.gz XPUCLKYUYGVEMR-UHFFFAOYSA-N 1 0 379.888 3.058 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000122628277 1414522932 /nfs/dbraw/zinc/52/29/32/1414522932.db2.gz YQLRLXYEIMDBEK-QGZVFWFLSA-N 1 0 399.004 3.371 20 30 GGEDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177627016 1428815531 /nfs/dbraw/zinc/81/55/31/1428815531.db2.gz DGYUKFOLMOIOPA-UHFFFAOYSA-N 1 0 397.422 3.117 20 30 GGEDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177628644 1428815945 /nfs/dbraw/zinc/81/59/45/1428815945.db2.gz QFAXDOXLOMOLLF-UHFFFAOYSA-N 1 0 397.422 3.117 20 30 GGEDRO COc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000122831702 1414575642 /nfs/dbraw/zinc/57/56/42/1414575642.db2.gz SYTCPEBJMFVXOQ-UHFFFAOYSA-N 1 0 395.503 3.292 20 30 GGEDRO C=CCOc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000122894821 1414591128 /nfs/dbraw/zinc/59/11/28/1414591128.db2.gz NHJMEQVVWLLACZ-DENIHFKCSA-N 1 0 395.503 3.256 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000123028933 1414622983 /nfs/dbraw/zinc/62/29/83/1414622983.db2.gz RKCJIKSAGDEZSH-GASCZTMLSA-N 1 0 384.480 3.056 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc3[nH]c(=NC(=O)OCC)sc3c2)CC1 ZINC000123062606 1414631469 /nfs/dbraw/zinc/63/14/69/1414631469.db2.gz LRWMKBCFYLHPTQ-UHFFFAOYSA-N 1 0 386.477 3.148 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123076357 1414635200 /nfs/dbraw/zinc/63/52/00/1414635200.db2.gz HHYZCLZISMIXCW-MGPUTAFESA-N 1 0 399.466 3.108 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123076559 1414635230 /nfs/dbraw/zinc/63/52/30/1414635230.db2.gz HHYZCLZISMIXCW-FOIQADDNSA-N 1 0 399.466 3.108 20 30 GGEDRO COc1ccc(NC(=[NH2+])N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000123173193 1414659846 /nfs/dbraw/zinc/65/98/46/1414659846.db2.gz BKSPVYPYLZOCBF-ZDUSSCGKSA-N 1 0 395.912 3.246 20 30 GGEDRO N#Cc1ccc(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000123241324 1414676580 /nfs/dbraw/zinc/67/65/80/1414676580.db2.gz XRWATCPJRWFYQF-SFHVURJKSA-N 1 0 381.549 3.049 20 30 GGEDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177665853 1428827498 /nfs/dbraw/zinc/82/74/98/1428827498.db2.gz RFPVEMOVISVPRK-CQSZACIVSA-N 1 0 389.443 3.072 20 30 GGEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1c(C)noc1C ZINC000123404119 1414718673 /nfs/dbraw/zinc/71/86/73/1414718673.db2.gz PJLITSFLQLQMOI-IBGZPJMESA-N 1 0 383.496 3.388 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccc(Cl)nc3)CC2)cc1 ZINC000123531444 1414764918 /nfs/dbraw/zinc/76/49/18/1414764918.db2.gz XESFYLJAAHPDJR-UHFFFAOYSA-N 1 0 397.910 3.067 20 30 GGEDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3cc(C#N)cs3)CC2)cc1OC ZINC000177703392 1428837909 /nfs/dbraw/zinc/83/79/09/1428837909.db2.gz PORRIRGDDPHECC-UHFFFAOYSA-N 1 0 385.489 3.031 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC000177711558 1428840154 /nfs/dbraw/zinc/84/01/54/1428840154.db2.gz CSMAWUBGXCUOKE-JOCHJYFZSA-N 1 0 394.471 3.001 20 30 GGEDRO N#Cc1ccc(OCC[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000123851099 1414834740 /nfs/dbraw/zinc/83/47/40/1414834740.db2.gz HSASIHDMYFGMEA-UHFFFAOYSA-N 1 0 382.439 3.362 20 30 GGEDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000123882737 1414841679 /nfs/dbraw/zinc/84/16/79/1414841679.db2.gz WUCPBGSHJZGDHP-KDURUIRLSA-N 1 0 395.551 3.441 20 30 GGEDRO CN(CCC#N)c1ccc(CNc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000123989953 1414864128 /nfs/dbraw/zinc/86/41/28/1414864128.db2.gz OKQVAWKQUKHGAT-UHFFFAOYSA-N 1 0 377.536 3.396 20 30 GGEDRO CC[C@H]1CN(C(NCCc2nc(-c3ccc(Cl)cc3)no2)=[NH+]C)CCS1 ZINC000124139934 1414893427 /nfs/dbraw/zinc/89/34/27/1414893427.db2.gz JQRADULHQUROOY-HNNXBMFYSA-N 1 0 393.944 3.335 20 30 GGEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCCOc3ccc(C#N)cc3)C2)nc1 ZINC000177738064 1428846502 /nfs/dbraw/zinc/84/65/02/1428846502.db2.gz FTRRHGDDKUFHKU-LJQANCHMSA-N 1 0 378.476 3.381 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1OC ZINC000124309329 1414935656 /nfs/dbraw/zinc/93/56/56/1414935656.db2.gz VCYQKRLVGDYZTL-FCHUYYIVSA-N 1 0 396.531 3.375 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(S(C)(=O)=O)c(C)c1)C(C)C ZINC000124598966 1415002499 /nfs/dbraw/zinc/00/24/99/1415002499.db2.gz SJEPIXUFDBHANJ-SFHVURJKSA-N 1 0 393.553 3.219 20 30 GGEDRO C#CCCOc1ccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000124659851 1415016185 /nfs/dbraw/zinc/01/61/85/1415016185.db2.gz LFCUMAIJLCFDMK-UHFFFAOYSA-N 1 0 379.460 3.170 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)Cc2cccc(OCC#N)c2)[NH+]2CCCC2)cc1 ZINC000124733605 1415031905 /nfs/dbraw/zinc/03/19/05/1415031905.db2.gz PXANFXGGOOEDLB-QFIPXVFZSA-N 1 0 377.488 3.393 20 30 GGEDRO N#CCOc1cccc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000124785770 1415043810 /nfs/dbraw/zinc/04/38/10/1415043810.db2.gz RTIUGCAMCCXBFN-UHFFFAOYSA-N 1 0 383.517 3.221 20 30 GGEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000124874631 1415064521 /nfs/dbraw/zinc/06/45/21/1415064521.db2.gz WKVXKIJOWWRFKF-FQEVSTJZSA-N 1 0 384.476 3.301 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000124993322 1415088067 /nfs/dbraw/zinc/08/80/67/1415088067.db2.gz ATBQRNFTFDJIGY-UHFFFAOYSA-N 1 0 377.444 3.187 20 30 GGEDRO C=CCOc1cc(OC)ccc1C(=O)NCc1ccccc1CN1CCOCC1 ZINC000124992356 1415088160 /nfs/dbraw/zinc/08/81/60/1415088160.db2.gz FIHHJAKICKFQKI-UHFFFAOYSA-N 1 0 396.487 3.022 20 30 GGEDRO C[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C[NH+]1CCCC1 ZINC000125013818 1415091644 /nfs/dbraw/zinc/09/16/44/1415091644.db2.gz FDNCNFHDJVMUHM-CYBMUJFWSA-N 1 0 384.402 3.353 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000125022528 1415093442 /nfs/dbraw/zinc/09/34/42/1415093442.db2.gz XFUWSTUFDSTTQL-AZUAARDMSA-N 1 0 386.517 3.235 20 30 GGEDRO CCN(C(C)=O)c1nc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cs1 ZINC000125409352 1415190163 /nfs/dbraw/zinc/19/01/63/1415190163.db2.gz TXFQEQZOTMQOJQ-UHFFFAOYSA-N 1 0 399.520 3.262 20 30 GGEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000125416459 1415191650 /nfs/dbraw/zinc/19/16/50/1415191650.db2.gz OHZUOBUOYZAFEC-GASCZTMLSA-N 1 0 375.900 3.173 20 30 GGEDRO N#Cc1ccccc1Sc1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000177870545 1428878772 /nfs/dbraw/zinc/87/87/72/1428878772.db2.gz HHOXWFGIPZMLMS-UHFFFAOYSA-N 1 0 395.528 3.286 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1cccc(OCC#N)c1 ZINC000125644739 1415244763 /nfs/dbraw/zinc/24/47/63/1415244763.db2.gz HWEVCZFRVSWNEI-UHFFFAOYSA-N 1 0 385.895 3.375 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Cc1cccc(OCC#N)c1 ZINC000125646891 1415245486 /nfs/dbraw/zinc/24/54/86/1415245486.db2.gz MGPRRXPMHYJRKB-UHFFFAOYSA-N 1 0 387.430 3.000 20 30 GGEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000125699204 1415256651 /nfs/dbraw/zinc/25/66/51/1415256651.db2.gz DOFBHXVOKBGGJT-UHFFFAOYSA-N 1 0 395.503 3.260 20 30 GGEDRO C[C@H](Sc1cc(C#N)ccn1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000125696519 1415256756 /nfs/dbraw/zinc/25/67/56/1415256756.db2.gz AQXCTBHQYGZGGU-INIZCTEOSA-N 1 0 380.517 3.215 20 30 GGEDRO C[C@@H](Sc1cc(C#N)ccn1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000125696744 1415256938 /nfs/dbraw/zinc/25/69/38/1415256938.db2.gz AQXCTBHQYGZGGU-MRXNPFEDSA-N 1 0 380.517 3.215 20 30 GGEDRO N#CC1(c2ccccc2)CC([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000125764722 1415274239 /nfs/dbraw/zinc/27/42/39/1415274239.db2.gz TVUDVIDYTGEZEJ-UHFFFAOYSA-N 1 0 388.515 3.303 20 30 GGEDRO CCN(CCC#N)C(=O)CN[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125894007 1415306735 /nfs/dbraw/zinc/30/67/35/1415306735.db2.gz JRDDAQKOIFNOHU-OAQYLSRUSA-N 1 0 375.476 3.014 20 30 GGEDRO CC[NH+]=C(NCCc1c[nH]c2c1cccc2C)N[C@@H]1CCCn2nc(C)nc21 ZINC000126025471 1415338958 /nfs/dbraw/zinc/33/89/58/1415338958.db2.gz RCVMJILGWUPOKP-GOSISDBHSA-N 1 0 379.512 3.009 20 30 GGEDRO N#CC1(c2ccccc2)CC([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000126096853 1415357102 /nfs/dbraw/zinc/35/71/02/1415357102.db2.gz GLFMJZJPFZUPIG-UHFFFAOYSA-N 1 0 389.499 3.100 20 30 GGEDRO Cn1cc(N2CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)cn1 ZINC000126111565 1415360910 /nfs/dbraw/zinc/36/09/10/1415360910.db2.gz UJOLGYCHBZHTHR-UHFFFAOYSA-N 1 0 387.487 3.193 20 30 GGEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000177993955 1428920776 /nfs/dbraw/zinc/92/07/76/1428920776.db2.gz GVWNEYHYPAXWAD-UHFFFAOYSA-N 1 0 389.908 3.155 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178007744 1428931325 /nfs/dbraw/zinc/93/13/25/1428931325.db2.gz PFDVETXDATXSIL-PMPSAXMXSA-N 1 0 388.537 3.008 20 30 GGEDRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(C)C ZINC000126427240 1415450048 /nfs/dbraw/zinc/45/00/48/1415450048.db2.gz ZEHBLOZGRVQXBL-UHFFFAOYSA-N 1 0 394.475 3.136 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000126522450 1415476600 /nfs/dbraw/zinc/47/66/00/1415476600.db2.gz PSXZLKNIWYLCEJ-QFIPXVFZSA-N 1 0 394.515 3.216 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000178021580 1428941406 /nfs/dbraw/zinc/94/14/06/1428941406.db2.gz MKNZJASKRXONLY-GOSISDBHSA-N 1 0 384.524 3.306 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000126749977 1415547550 /nfs/dbraw/zinc/54/75/50/1415547550.db2.gz YUPRKCSJMABMJX-INIZCTEOSA-N 1 0 393.528 3.363 20 30 GGEDRO CSc1cnn(-c2ccccc2)c1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000126756437 1415549730 /nfs/dbraw/zinc/54/97/30/1415549730.db2.gz NQJICOFVWOLPPZ-UHFFFAOYSA-N 1 0 386.525 3.293 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178041196 1428952611 /nfs/dbraw/zinc/95/26/11/1428952611.db2.gz NZAWQJCFLAVSNM-LJQANCHMSA-N 1 0 393.487 3.088 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000178043114 1428953335 /nfs/dbraw/zinc/95/33/35/1428953335.db2.gz VICYXIDCLPZGEI-LJQANCHMSA-N 1 0 390.487 3.029 20 30 GGEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)N(C)c1ccccc1 ZINC000126906394 1415602223 /nfs/dbraw/zinc/60/22/23/1415602223.db2.gz LEBIKUWXPZFZIY-IBGZPJMESA-N 1 0 393.535 3.156 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1nnc(C2CCCC2)o1 ZINC000178053030 1428958128 /nfs/dbraw/zinc/95/81/28/1428958128.db2.gz OPHQYEHLUZRYHS-UHFFFAOYSA-N 1 0 395.507 3.122 20 30 GGEDRO Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000127007062 1415633598 /nfs/dbraw/zinc/63/35/98/1415633598.db2.gz LQQASNAMACZVPT-MRXNPFEDSA-N 1 0 380.492 3.391 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COc3cccc4[nH]ccc43)CC2)c1 ZINC000127203632 1415685090 /nfs/dbraw/zinc/68/50/90/1415685090.db2.gz KINYCUWKEJSLBO-GOSISDBHSA-N 1 0 391.471 3.323 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000127214561 1415689048 /nfs/dbraw/zinc/68/90/48/1415689048.db2.gz OUKCCPRGQMBJTG-KRWDZBQOSA-N 1 0 391.581 3.230 20 30 GGEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)c2)cc1 ZINC000178097773 1428980040 /nfs/dbraw/zinc/98/00/40/1428980040.db2.gz NNXZCDORUQHPTM-LJQANCHMSA-N 1 0 391.471 3.145 20 30 GGEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1OCC(=O)N1CCCC1 ZINC000127386875 1415761594 /nfs/dbraw/zinc/76/15/94/1415761594.db2.gz ZSXAYRNNYNWXOB-UHFFFAOYSA-N 1 0 393.487 3.200 20 30 GGEDRO N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000178126829 1428991375 /nfs/dbraw/zinc/99/13/75/1428991375.db2.gz UTWBJBFHSSEDAZ-HXUWFJFHSA-N 1 0 380.536 3.252 20 30 GGEDRO C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000127448936 1415782889 /nfs/dbraw/zinc/78/28/89/1415782889.db2.gz PGVWTEQWEKBEQO-QGZVFWFLSA-N 1 0 385.430 3.172 20 30 GGEDRO C#CCOc1ccc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000127493770 1415800683 /nfs/dbraw/zinc/80/06/83/1415800683.db2.gz RMHUFQKJOJLBBQ-HXUWFJFHSA-N 1 0 377.488 3.008 20 30 GGEDRO C#CCOc1ccccc1CNc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000127512280 1415803180 /nfs/dbraw/zinc/80/31/80/1415803180.db2.gz FJHXTCKBOLIVLD-FQEVSTJZSA-N 1 0 377.488 3.008 20 30 GGEDRO C#CCOc1ccccc1CNc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000127512515 1415803239 /nfs/dbraw/zinc/80/32/39/1415803239.db2.gz FJHXTCKBOLIVLD-HXUWFJFHSA-N 1 0 377.488 3.008 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1c(C)noc1C ZINC000127542987 1415807347 /nfs/dbraw/zinc/80/73/47/1415807347.db2.gz QGFDHINSUVALJX-UHFFFAOYSA-N 1 0 375.542 3.432 20 30 GGEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000127772251 1415847654 /nfs/dbraw/zinc/84/76/54/1415847654.db2.gz MTDFXAMSNPVMFP-SFHVURJKSA-N 1 0 379.460 3.288 20 30 GGEDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000127838172 1415860197 /nfs/dbraw/zinc/86/01/97/1415860197.db2.gz BNEZZDCWSGRFJV-MRXNPFEDSA-N 1 0 380.366 3.329 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CC1)N(C)C[C@@H]1CCOC1 ZINC000128014080 1415893149 /nfs/dbraw/zinc/89/31/49/1415893149.db2.gz PCJLPZZUPDHYLI-AWEZNQCLSA-N 1 0 380.330 3.024 20 30 GGEDRO CO/N=C/c1ccc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000178240782 1429028969 /nfs/dbraw/zinc/02/89/69/1429028969.db2.gz MMVURFNFAZKHGD-YMQCXJOPSA-N 1 0 387.524 3.018 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1C#N ZINC000128145517 1415923886 /nfs/dbraw/zinc/92/38/86/1415923886.db2.gz NLHDTUPHXFQXGA-UHFFFAOYSA-N 1 0 376.464 3.046 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000178233064 1429025596 /nfs/dbraw/zinc/02/55/96/1429025596.db2.gz YHSIZMVVMAJLBJ-ZWKOTPCHSA-N 1 0 393.572 3.426 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000178233083 1429025727 /nfs/dbraw/zinc/02/57/27/1429025727.db2.gz YHSIZMVVMAJLBJ-QZTJIDSGSA-N 1 0 393.572 3.426 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)COc2ccccc2OC)CC1 ZINC000128451909 1415990312 /nfs/dbraw/zinc/99/03/12/1415990312.db2.gz WGOCJDPLHWURIR-KRWDZBQOSA-N 1 0 375.513 3.050 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000128454634 1415991179 /nfs/dbraw/zinc/99/11/79/1415991179.db2.gz ITNYKNSPWZMWET-MRXNPFEDSA-N 1 0 394.922 3.398 20 30 GGEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000128481903 1415997488 /nfs/dbraw/zinc/99/74/88/1415997488.db2.gz XRVSZINJYFQWTM-IBGZPJMESA-N 1 0 384.524 3.053 20 30 GGEDRO N#Cc1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1N1CCC(O)CC1 ZINC000178294506 1429044470 /nfs/dbraw/zinc/04/44/70/1429044470.db2.gz OXRSRZHGHWPYJN-KRWDZBQOSA-N 1 0 396.535 3.112 20 30 GGEDRO N#Cc1ccc(OCCC[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000128656776 1416035102 /nfs/dbraw/zinc/03/51/02/1416035102.db2.gz HANWWERCPROFEP-UHFFFAOYSA-N 1 0 375.476 3.021 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCc2cccc(C[N@@H+](C)CC)c2)c1 ZINC000128786563 1416068522 /nfs/dbraw/zinc/06/85/22/1416068522.db2.gz OSBUHUSTCVPZAT-UHFFFAOYSA-N 1 0 395.503 3.348 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000128799060 1416071937 /nfs/dbraw/zinc/07/19/37/1416071937.db2.gz SSPUTOWADLPACV-QFIPXVFZSA-N 1 0 383.492 3.358 20 30 GGEDRO CC[NH+]1CCN([C@@H](C)CNc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000178347459 1429057604 /nfs/dbraw/zinc/05/76/04/1429057604.db2.gz MXGDEQZBMFIYKD-ZDUSSCGKSA-N 1 0 375.879 3.337 20 30 GGEDRO Cc1ccc(NC(=[NH2+])NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000128891802 1416094778 /nfs/dbraw/zinc/09/47/78/1416094778.db2.gz WVSJDSMXJBJJMH-OAHLLOKOSA-N 1 0 381.398 3.471 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000128906432 1416098240 /nfs/dbraw/zinc/09/82/40/1416098240.db2.gz KCGXYKOLWNSLQR-QGZVFWFLSA-N 1 0 381.451 3.465 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000129172591 1416162110 /nfs/dbraw/zinc/16/21/10/1416162110.db2.gz QQXZRZITIUPKBX-UHFFFAOYSA-N 1 0 389.499 3.155 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000178407929 1429071779 /nfs/dbraw/zinc/07/17/79/1429071779.db2.gz KAADGDUWAZKCIM-UHFFFAOYSA-N 1 0 382.508 3.110 20 30 GGEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000129300528 1416187857 /nfs/dbraw/zinc/18/78/57/1416187857.db2.gz WWTWVDAZTLXIFA-JOCHJYFZSA-N 1 0 392.503 3.352 20 30 GGEDRO COc1cc(NC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000129519768 1416222040 /nfs/dbraw/zinc/22/20/40/1416222040.db2.gz UKSQDNIMDHPKLF-JOCHJYFZSA-N 1 0 381.476 3.185 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129544709 1416225244 /nfs/dbraw/zinc/22/52/44/1416225244.db2.gz FGBGFEQKXCKPNA-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO N#CCc1ccc(S(=O)(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000129633066 1416240506 /nfs/dbraw/zinc/24/05/06/1416240506.db2.gz OKINMXGPQFWUTC-UHFFFAOYSA-N 1 0 399.516 3.418 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)CC1 ZINC000129670443 1416246146 /nfs/dbraw/zinc/24/61/46/1416246146.db2.gz AHYZTPZKITZIFO-HXUWFJFHSA-N 1 0 382.529 3.156 20 30 GGEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178454040 1429081145 /nfs/dbraw/zinc/08/11/45/1429081145.db2.gz KNDBYUJRIVSISZ-UHFFFAOYSA-N 1 0 392.503 3.176 20 30 GGEDRO C[C@H](Sc1nc2ccccc2s1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000129784162 1416263015 /nfs/dbraw/zinc/26/30/15/1416263015.db2.gz GXFNJBHSXXWXED-AWEZNQCLSA-N 1 0 376.551 3.471 20 30 GGEDRO N#CCCn1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000129897841 1416281685 /nfs/dbraw/zinc/28/16/85/1416281685.db2.gz VHYJWYCRJOGQAX-PMACEKPBSA-N 1 0 392.507 3.315 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c1 ZINC000130074700 1416312657 /nfs/dbraw/zinc/31/26/57/1416312657.db2.gz MJLHTEOWQNFKJZ-GOSISDBHSA-N 1 0 389.499 3.386 20 30 GGEDRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)Nc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000130075126 1416312906 /nfs/dbraw/zinc/31/29/06/1416312906.db2.gz AOORETTZLPAHGE-QGZVFWFLSA-N 1 0 390.487 3.277 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000178481556 1429087157 /nfs/dbraw/zinc/08/71/57/1429087157.db2.gz WJOZVIOQLTXQSN-KRWDZBQOSA-N 1 0 390.487 3.147 20 30 GGEDRO C[NH+]=C(NCC1CCN(C(C)=O)CC1)NCC1(c2cccs2)CCCCC1 ZINC000130232571 1416343515 /nfs/dbraw/zinc/34/35/15/1416343515.db2.gz ZNFZZLVGVIKDQP-UHFFFAOYSA-N 1 0 390.597 3.374 20 30 GGEDRO N#Cc1ccc(CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C2CC2)cc1 ZINC000178487147 1429088704 /nfs/dbraw/zinc/08/87/04/1429088704.db2.gz ARIYGHQIOQHWSI-FGZHOGPDSA-N 1 0 396.535 3.000 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)ncc1Cl ZINC000130350305 1416362996 /nfs/dbraw/zinc/36/29/96/1416362996.db2.gz NXFGOWYPHPFQMJ-UHFFFAOYSA-N 1 0 377.275 3.464 20 30 GGEDRO N#CCCn1cc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)c(-c2ccccc2)n1 ZINC000130410534 1416373646 /nfs/dbraw/zinc/37/36/46/1416373646.db2.gz INFAQIJNHVUZDL-IBGZPJMESA-N 1 0 393.535 3.054 20 30 GGEDRO Cc1nccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000130595952 1416407042 /nfs/dbraw/zinc/40/70/42/1416407042.db2.gz CQHQQYMNAQYLBW-IBGZPJMESA-N 1 0 381.524 3.466 20 30 GGEDRO Cc1nccn1CCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000130595675 1416407096 /nfs/dbraw/zinc/40/70/96/1416407096.db2.gz CQHQQYMNAQYLBW-LJQANCHMSA-N 1 0 381.524 3.466 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000130619728 1416412044 /nfs/dbraw/zinc/41/20/44/1416412044.db2.gz PKQNLCPREIVOQZ-RTWAWAEBSA-N 1 0 392.503 3.245 20 30 GGEDRO COc1cccc([C@H](CNC(=O)Cc2cccc(OCC#N)c2)[NH+]2CCCC2)c1 ZINC000130644622 1416416098 /nfs/dbraw/zinc/41/60/98/1416416098.db2.gz JGJVHOIHGOGVFZ-QFIPXVFZSA-N 1 0 393.487 3.093 20 30 GGEDRO C[C@@H]1C[C@H](N(C)C(=O)CNc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000130827980 1416461459 /nfs/dbraw/zinc/46/14/59/1416461459.db2.gz LQEOHVBPCJJZEW-XMSQKQJNSA-N 1 0 376.504 3.482 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C(N)=O)cc1 ZINC000130859261 1416469585 /nfs/dbraw/zinc/46/95/85/1416469585.db2.gz SBLJUIXLJRLNDQ-QHCPKHFHSA-N 1 0 385.467 3.496 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(OCCOC)c3ccccc3n2)CC1 ZINC000130892371 1416476295 /nfs/dbraw/zinc/47/62/95/1416476295.db2.gz NDIFVUOOOCVWDF-UHFFFAOYSA-N 1 0 383.492 3.030 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC[C@@H]2CSC)c1=S ZINC000130959781 1416487763 /nfs/dbraw/zinc/48/77/63/1416487763.db2.gz VADYHOVNTRVNCN-QGZVFWFLSA-N 1 0 395.642 3.413 20 30 GGEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C)c2nc(-c3ccccc3)no2)cc1OC ZINC000130976504 1416490412 /nfs/dbraw/zinc/49/04/12/1416490412.db2.gz CPJSZISDNWBUJV-CYBMUJFWSA-N 1 0 381.436 3.284 20 30 GGEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)c2nc(-c3ccccc3)no2)cc1OC ZINC000130976343 1416490424 /nfs/dbraw/zinc/49/04/24/1416490424.db2.gz CPJSZISDNWBUJV-ZDUSSCGKSA-N 1 0 381.436 3.284 20 30 GGEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000130977759 1416490952 /nfs/dbraw/zinc/49/09/52/1416490952.db2.gz IZCDOEDCYAADCF-ZDUSSCGKSA-N 1 0 381.436 3.284 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(OC)cc2)C(=S)NCc2ccon2)cc1 ZINC000131110129 1416510512 /nfs/dbraw/zinc/51/05/12/1416510512.db2.gz YYNUBTXDKXOOJI-UHFFFAOYSA-O 1 0 396.492 3.262 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000178544645 1429103358 /nfs/dbraw/zinc/10/33/58/1429103358.db2.gz JEZNWZIMIKBQEO-UHFFFAOYSA-N 1 0 377.492 3.433 20 30 GGEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000131183230 1416520485 /nfs/dbraw/zinc/52/04/85/1416520485.db2.gz ZIMJTQNUCBGMBC-QFIPXVFZSA-N 1 0 392.503 3.124 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1cccc(CO)c1 ZINC000131243838 1416528767 /nfs/dbraw/zinc/52/87/67/1416528767.db2.gz LWOOXCCNUFUUPT-UHFFFAOYSA-O 1 0 395.957 3.011 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NCc1ccon1)[n+]1cccc(C)c1 ZINC000131247146 1416529678 /nfs/dbraw/zinc/52/96/78/1416529678.db2.gz MCCQAGOMVSPFJZ-UHFFFAOYSA-O 1 0 396.492 3.316 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(C)cc1 ZINC000131277584 1416533678 /nfs/dbraw/zinc/53/36/78/1416533678.db2.gz BGMMGWPRLBWEDJ-UHFFFAOYSA-O 1 0 387.550 3.109 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CC1 ZINC000131306418 1416537914 /nfs/dbraw/zinc/53/79/14/1416537914.db2.gz ZPERETNSYMPIBM-UHFFFAOYSA-N 1 0 387.483 3.173 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NCCSC)[n+]1ccc(C)cc1 ZINC000131357703 1416545113 /nfs/dbraw/zinc/54/51/13/1416545113.db2.gz QSNCDNJUKFOHRG-UHFFFAOYSA-O 1 0 375.539 3.183 20 30 GGEDRO CC[C@H](c1ccncc1)N(CC)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000131507054 1416568277 /nfs/dbraw/zinc/56/82/77/1416568277.db2.gz ATPWZRXEFOQWRK-HXUWFJFHSA-N 1 0 391.475 3.148 20 30 GGEDRO CC(C)Oc1cc(C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000131656295 1416591589 /nfs/dbraw/zinc/59/15/89/1416591589.db2.gz SYNRIQIPSSLDSW-HXUWFJFHSA-N 1 0 381.476 3.145 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000178573421 1429110603 /nfs/dbraw/zinc/11/06/03/1429110603.db2.gz QUGBGAQDOTZQSE-UHFFFAOYSA-N 1 0 385.855 3.046 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000178572790 1429110610 /nfs/dbraw/zinc/11/06/10/1429110610.db2.gz RSHKOBNXCQDOOE-UHFFFAOYSA-N 1 0 378.476 3.145 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000178579234 1429113232 /nfs/dbraw/zinc/11/32/32/1429113232.db2.gz NWQJMUDPAYCAQW-UHFFFAOYSA-N 1 0 391.519 3.148 20 30 GGEDRO CCC[NH+](CCC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000178593565 1429116512 /nfs/dbraw/zinc/11/65/12/1429116512.db2.gz AVQYCSRRXOEMJM-QGZVFWFLSA-N 1 0 386.540 3.478 20 30 GGEDRO N#Cc1c(F)cccc1OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000131965685 1416661574 /nfs/dbraw/zinc/66/15/74/1416661574.db2.gz ZXAKJKMZZGRVTC-UHFFFAOYSA-N 1 0 385.464 3.264 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000131977516 1416664696 /nfs/dbraw/zinc/66/46/96/1416664696.db2.gz MWHUQUDGCQVCDX-SFTDATJTSA-N 1 0 395.503 3.398 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000131978126 1416665594 /nfs/dbraw/zinc/66/55/94/1416665594.db2.gz MWHUQUDGCQVCDX-NHCUHLMSSA-N 1 0 395.503 3.398 20 30 GGEDRO N#Cc1ccccc1OCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000132118693 1416700505 /nfs/dbraw/zinc/70/05/05/1416700505.db2.gz WCSBHWMWPHDASP-VXKWHMMOSA-N 1 0 389.499 3.450 20 30 GGEDRO N#Cc1c(NC(=O)C[NH2+][C@]2(CO)CCc3ccccc32)sc2c1CCCCC2 ZINC000132247036 1416723342 /nfs/dbraw/zinc/72/33/42/1416723342.db2.gz YIDNRRLXFFWJFY-QFIPXVFZSA-N 1 0 395.528 3.251 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000132405848 1416753701 /nfs/dbraw/zinc/75/37/01/1416753701.db2.gz CMCDTCIWVDQJKV-QGZVFWFLSA-N 1 0 387.524 3.169 20 30 GGEDRO C[C@H]1C[C@@H](N(C)C(=O)COc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000132421562 1416756797 /nfs/dbraw/zinc/75/67/97/1416756797.db2.gz IJFYGFCBNZHTFZ-RXVVDRJESA-N 1 0 377.488 3.449 20 30 GGEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000178637046 1429126263 /nfs/dbraw/zinc/12/62/63/1429126263.db2.gz GWGAWUMYYFERNN-KRWDZBQOSA-N 1 0 384.524 3.230 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000178669255 1429134080 /nfs/dbraw/zinc/13/40/80/1429134080.db2.gz DWHAHPRSAHSLRM-HXUWFJFHSA-N 1 0 377.504 3.177 20 30 GGEDRO CCC[C@H]1C[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 ZINC000132598617 1416790724 /nfs/dbraw/zinc/79/07/24/1416790724.db2.gz PDIUZIOEGLLWKD-SFHVURJKSA-N 1 0 398.507 3.447 20 30 GGEDRO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N(CCC#N)CC3CC3)cc2)CC1 ZINC000132804986 1416817191 /nfs/dbraw/zinc/81/71/91/1416817191.db2.gz GUUPLOVLCZGBJF-UHFFFAOYSA-N 1 0 382.508 3.009 20 30 GGEDRO CCCCNC(=O)C1([NH2+]CCC(=O)Nc2sccc2C#N)CCCCC1 ZINC000132833087 1416820817 /nfs/dbraw/zinc/82/08/17/1416820817.db2.gz KAYJYXBNGKAILT-UHFFFAOYSA-N 1 0 376.526 3.157 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)C1 ZINC000132920915 1416831657 /nfs/dbraw/zinc/83/16/57/1416831657.db2.gz FHETXWIBXMZLSS-GIVPXCGWSA-N 1 0 386.540 3.468 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc(N(C)C)cc1 ZINC000132971628 1416837513 /nfs/dbraw/zinc/83/75/13/1416837513.db2.gz MQEJXFWQHBHHEZ-UHFFFAOYSA-O 1 0 398.552 3.462 20 30 GGEDRO COc1cc(C)cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000133052548 1416846432 /nfs/dbraw/zinc/84/64/32/1416846432.db2.gz JFGYSSYLUKEJGE-UHFFFAOYSA-N 1 0 380.492 3.149 20 30 GGEDRO CNC(=O)c1ccc(C[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000178675288 1429136591 /nfs/dbraw/zinc/13/65/91/1429136591.db2.gz GCCLXPGQMKVFIK-UHFFFAOYSA-N 1 0 376.378 3.428 20 30 GGEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000133178139 1416861147 /nfs/dbraw/zinc/86/11/47/1416861147.db2.gz OMGSFCSCMRSLSC-UHFFFAOYSA-N 1 0 387.549 3.193 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)c1C#N ZINC000133220410 1416866173 /nfs/dbraw/zinc/86/61/73/1416866173.db2.gz KUTJFOAVJUHOHK-JTQLQIEISA-N 1 0 396.278 3.146 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)c1C#N ZINC000133244300 1416869667 /nfs/dbraw/zinc/86/96/67/1416869667.db2.gz ZWZUAYIYVNOIPN-KBPBESRZSA-N 1 0 391.397 3.194 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)c1C#N ZINC000133249622 1416869979 /nfs/dbraw/zinc/86/99/79/1416869979.db2.gz ACPQPIURUBUVKC-RYUDHWBXSA-N 1 0 392.290 3.482 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccsc3)nc2C)c1C#N ZINC000133319416 1416878385 /nfs/dbraw/zinc/87/83/85/1416878385.db2.gz AHQVFGGPGWMYBM-UHFFFAOYSA-N 1 0 380.477 3.118 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cccc(OC3CCCC3)c2)c1C#N ZINC000133324983 1416878763 /nfs/dbraw/zinc/87/87/63/1416878763.db2.gz ZOYUZABOVVIVJF-UHFFFAOYSA-N 1 0 395.507 3.326 20 30 GGEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000133339639 1416880496 /nfs/dbraw/zinc/88/04/96/1416880496.db2.gz RBMXPBBNCIBKFG-UHFFFAOYSA-N 1 0 392.503 3.371 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(CC)cc1 ZINC000133435734 1416889680 /nfs/dbraw/zinc/88/96/80/1416889680.db2.gz VPUSIJHPQGWXST-UHFFFAOYSA-O 1 0 383.493 3.038 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1C#N ZINC000133447385 1416890970 /nfs/dbraw/zinc/89/09/70/1416890970.db2.gz QOCPYLWDYQXVBG-UHFFFAOYSA-N 1 0 399.458 3.301 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)c1C#N ZINC000133501168 1416895853 /nfs/dbraw/zinc/89/58/53/1416895853.db2.gz OVAUNPYFEZCKLH-UHFFFAOYSA-N 1 0 391.397 3.122 20 30 GGEDRO C[NH+]=C(NCc1ccccc1OC(F)F)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000133519717 1416897723 /nfs/dbraw/zinc/89/77/23/1416897723.db2.gz DMZBVLQHRURVPT-UAGQMJEPSA-N 1 0 379.451 3.301 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(C)cc1 ZINC000133532775 1416898854 /nfs/dbraw/zinc/89/88/54/1416898854.db2.gz LSVCCZBDXNMJGG-UHFFFAOYSA-O 1 0 383.493 3.174 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1cccc(C)c1 ZINC000133534806 1416899144 /nfs/dbraw/zinc/89/91/44/1416899144.db2.gz KOOPEGLXLNFREM-UHFFFAOYSA-O 1 0 383.493 3.174 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1C#N ZINC000133542585 1416899897 /nfs/dbraw/zinc/89/98/97/1416899897.db2.gz BGDYHNPCHOJCDN-QWHCGFSZSA-N 1 0 391.397 3.194 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(COCC(F)(F)F)c2)CC1 ZINC000178674509 1429136066 /nfs/dbraw/zinc/13/60/66/1429136066.db2.gz ALYFLYMPDNPSBT-UHFFFAOYSA-N 1 0 385.430 3.215 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2csc3ccc(Cl)cc23)c1C#N ZINC000133598243 1416915200 /nfs/dbraw/zinc/91/52/00/1416915200.db2.gz KWDHFTIRPVAESX-UHFFFAOYSA-N 1 0 387.896 3.483 20 30 GGEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c1)C1CC1 ZINC000133597346 1416915458 /nfs/dbraw/zinc/91/54/58/1416915458.db2.gz GYSICQSUYVMEHP-UHFFFAOYSA-N 1 0 396.878 3.426 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCCn2nc(C(C)C)nc21)C(C)C ZINC000133610318 1416918202 /nfs/dbraw/zinc/91/82/02/1416918202.db2.gz PXFDRCSVJCAHIZ-ROUUACIJSA-N 1 0 388.560 3.234 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc3ccc(OC)cc3c2C)c1C#N ZINC000133647394 1416930658 /nfs/dbraw/zinc/93/06/58/1416930658.db2.gz KAFPPLCQRYSKTI-UHFFFAOYSA-N 1 0 383.477 3.217 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(OC(F)F)c1 ZINC000133708446 1416948000 /nfs/dbraw/zinc/94/80/00/1416948000.db2.gz OKAZFDZUQZRBAE-RHSMWYFYSA-N 1 0 376.403 3.445 20 30 GGEDRO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CC1 ZINC000178701125 1429145611 /nfs/dbraw/zinc/14/56/11/1429145611.db2.gz CXHFAEWAMPYFIB-KRWDZBQOSA-N 1 0 384.524 3.088 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccccn3)ccc2Cl)c1C#N ZINC000133757706 1416957771 /nfs/dbraw/zinc/95/77/71/1416957771.db2.gz BWYMOIZBCWPCEK-UHFFFAOYSA-N 1 0 394.866 3.401 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133792948 1416964333 /nfs/dbraw/zinc/96/43/33/1416964333.db2.gz DHZPEWQJUSDRET-DLBZAZTESA-N 1 0 386.517 3.361 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc(OCC(C)C)cc2)c1C#N ZINC000133798716 1416964996 /nfs/dbraw/zinc/96/49/96/1416964996.db2.gz QZGUOWDWBFCVDG-UHFFFAOYSA-N 1 0 397.523 3.384 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-c3nc(C)cs3)c2)c1C#N ZINC000133800689 1416965844 /nfs/dbraw/zinc/96/58/44/1416965844.db2.gz KFWWSGGLZFICPE-UHFFFAOYSA-N 1 0 380.477 3.118 20 30 GGEDRO CN(C)c1ccc(C(N)=[NH+]OCc2nc(-c3cc(F)c(F)c(F)c3)no2)cc1 ZINC000134073230 1417018234 /nfs/dbraw/zinc/01/82/34/1417018234.db2.gz VTRKXTVSJDYYJT-UHFFFAOYSA-N 1 0 391.353 3.057 20 30 GGEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000134097116 1417022017 /nfs/dbraw/zinc/02/20/17/1417022017.db2.gz HIECBRBJAKNBRP-QFIPXVFZSA-N 1 0 375.472 3.063 20 30 GGEDRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000134138900 1417028184 /nfs/dbraw/zinc/02/81/84/1417028184.db2.gz IXZZNTAONWAMEY-JOCHJYFZSA-N 1 0 396.491 3.226 20 30 GGEDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000134162147 1417031055 /nfs/dbraw/zinc/03/10/55/1417031055.db2.gz HACMTAYSKLEBNC-IBGZPJMESA-N 1 0 377.510 3.149 20 30 GGEDRO CC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000134162361 1417031489 /nfs/dbraw/zinc/03/14/89/1417031489.db2.gz HACMTAYSKLEBNC-LJQANCHMSA-N 1 0 377.510 3.149 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134216362 1417038731 /nfs/dbraw/zinc/03/87/31/1417038731.db2.gz IZRCFTPROJZDGQ-MRXNPFEDSA-O 1 0 385.509 3.080 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccccc2)cc1 ZINC000134216296 1417038808 /nfs/dbraw/zinc/03/88/08/1417038808.db2.gz RLLDLMWXBDPMCO-IBGZPJMESA-O 1 0 399.536 3.470 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccccc2)cc1 ZINC000134216316 1417038853 /nfs/dbraw/zinc/03/88/53/1417038853.db2.gz RLLDLMWXBDPMCO-LJQANCHMSA-O 1 0 399.536 3.470 20 30 GGEDRO COc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccccc2)cc1 ZINC000134218613 1417039161 /nfs/dbraw/zinc/03/91/61/1417039161.db2.gz PSSMDAJHFCIZRZ-SFHVURJKSA-O 1 0 385.509 3.080 20 30 GGEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134218587 1417039321 /nfs/dbraw/zinc/03/93/21/1417039321.db2.gz FYKXTXMYFUHDJH-OAHLLOKOSA-O 1 0 391.463 3.350 20 30 GGEDRO [NH2+]=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc(OC(F)(F)F)cc1 ZINC000134242622 1417043253 /nfs/dbraw/zinc/04/32/53/1417043253.db2.gz MYXLUJWCWPIAAP-UHFFFAOYSA-N 1 0 382.342 3.140 20 30 GGEDRO N#Cc1ccc(OCC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000134263442 1417046252 /nfs/dbraw/zinc/04/62/52/1417046252.db2.gz ZRXFJGSLPJYTFI-GOSISDBHSA-N 1 0 399.878 3.077 20 30 GGEDRO N#CCOc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134268196 1417046814 /nfs/dbraw/zinc/04/68/14/1417046814.db2.gz MONVBEJVXXCXOP-QGZVFWFLSA-N 1 0 399.878 3.342 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C)c1C#N ZINC000134382253 1417062792 /nfs/dbraw/zinc/06/27/92/1417062792.db2.gz KNSVFKKTNOSERJ-HXUWFJFHSA-N 1 0 396.535 3.302 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000134639745 1417102709 /nfs/dbraw/zinc/10/27/09/1417102709.db2.gz MMKRTUMMXHZFJN-ZFWWWQNUSA-N 1 0 392.525 3.326 20 30 GGEDRO C=C(C)C[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC1 ZINC000134738233 1417118678 /nfs/dbraw/zinc/11/86/78/1417118678.db2.gz PUYJDFYWVFRRFV-SFTDATJTSA-N 1 0 377.960 3.342 20 30 GGEDRO C=C(C)C[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC1 ZINC000134738277 1417118826 /nfs/dbraw/zinc/11/88/26/1417118826.db2.gz PUYJDFYWVFRRFV-RTWAWAEBSA-N 1 0 377.960 3.342 20 30 GGEDRO C=C(C)C[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC1 ZINC000134738256 1417118832 /nfs/dbraw/zinc/11/88/32/1417118832.db2.gz PUYJDFYWVFRRFV-LEWJYISDSA-N 1 0 377.960 3.342 20 30 GGEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000134772628 1417123477 /nfs/dbraw/zinc/12/34/77/1417123477.db2.gz QFUCWBFCCBPUBT-KKSFZXQISA-N 1 0 397.450 3.213 20 30 GGEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871284 1417136868 /nfs/dbraw/zinc/13/68/68/1417136868.db2.gz VCWHYLZOCAHXEC-VANXUTSUSA-N 1 0 386.584 3.254 20 30 GGEDRO N#CCSc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134891260 1417140549 /nfs/dbraw/zinc/14/05/49/1417140549.db2.gz HVBYHODWMXQTDT-VQIMIIECSA-N 1 0 384.549 3.189 20 30 GGEDRO N#CCSc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134891287 1417140694 /nfs/dbraw/zinc/14/06/94/1417140694.db2.gz HVBYHODWMXQTDT-APWZRJJASA-N 1 0 384.549 3.189 20 30 GGEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000134911080 1417143583 /nfs/dbraw/zinc/14/35/83/1417143583.db2.gz PXRRPSWUBUMJAL-UHFFFAOYSA-N 1 0 377.448 3.026 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134929887 1417147300 /nfs/dbraw/zinc/14/73/00/1417147300.db2.gz BAEIUCJEVWWBAG-DYESRHJHSA-N 1 0 393.535 3.125 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134941223 1417149065 /nfs/dbraw/zinc/14/90/65/1417149065.db2.gz MIRLTXZTQOZXLF-NNMXDRDESA-N 1 0 380.536 3.270 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134941247 1417149098 /nfs/dbraw/zinc/14/90/98/1417149098.db2.gz MIRLTXZTQOZXLF-WOIUINJBSA-N 1 0 380.536 3.270 20 30 GGEDRO C=C(C)COCCNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000135016678 1417161587 /nfs/dbraw/zinc/16/15/87/1417161587.db2.gz RJTYVPSMZJMIJP-IBGZPJMESA-N 1 0 375.513 3.114 20 30 GGEDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000135073415 1417170058 /nfs/dbraw/zinc/17/00/58/1417170058.db2.gz YBGINVCTQNOHOF-KRWDZBQOSA-N 1 0 394.393 3.457 20 30 GGEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCOC2)c1C#N ZINC000178769159 1429164987 /nfs/dbraw/zinc/16/49/87/1429164987.db2.gz RIJTXIUWGJCYOK-SFHVURJKSA-N 1 0 398.482 3.071 20 30 GGEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135319054 1417207108 /nfs/dbraw/zinc/20/71/08/1417207108.db2.gz VQOMZFSRWFOEIY-UHFFFAOYSA-N 1 0 376.457 3.385 20 30 GGEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C[C@H]1CCOC1 ZINC000178783636 1429168935 /nfs/dbraw/zinc/16/89/35/1429168935.db2.gz SVNYXDWNOYBVSZ-QGZVFWFLSA-N 1 0 392.503 3.135 20 30 GGEDRO N#Cc1ccc(SCC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000135632224 1417250538 /nfs/dbraw/zinc/25/05/38/1417250538.db2.gz JMDDUPOLKNFBCZ-UHFFFAOYSA-N 1 0 381.501 3.246 20 30 GGEDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000135635690 1417251139 /nfs/dbraw/zinc/25/11/39/1417251139.db2.gz XOEOTKFEZPRSNR-MRXNPFEDSA-N 1 0 383.521 3.180 20 30 GGEDRO C=C(C)COCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135778788 1417266782 /nfs/dbraw/zinc/26/67/82/1417266782.db2.gz HVNUPPFXDUMGRQ-MAUKXSAKSA-N 1 0 383.895 3.364 20 30 GGEDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135792852 1417269011 /nfs/dbraw/zinc/26/90/11/1417269011.db2.gz MTVYJBRAIDEUKJ-UHFFFAOYSA-N 1 0 379.508 3.389 20 30 GGEDRO C=CCCOCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000135905691 1417277066 /nfs/dbraw/zinc/27/70/66/1417277066.db2.gz QXQGNHXZFINZLF-QAPCUYQASA-N 1 0 383.895 3.364 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)cc1OC ZINC000135945424 1417280375 /nfs/dbraw/zinc/28/03/75/1417280375.db2.gz MFYNTVJUSGYOCX-LJQANCHMSA-N 1 0 386.492 3.325 20 30 GGEDRO C=CCNc1ncc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)s1 ZINC000136048114 1417288235 /nfs/dbraw/zinc/28/82/35/1417288235.db2.gz RLJVUUGWEYHPLS-KRWDZBQOSA-N 1 0 386.521 3.317 20 30 GGEDRO O=C(C#Cc1ccc2c(c1)OCO2)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000136093140 1417291292 /nfs/dbraw/zinc/29/12/92/1417291292.db2.gz TWMMLEOBGSXMAS-UHFFFAOYSA-N 1 0 396.874 3.201 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2)C(C)C ZINC000136381490 1417312799 /nfs/dbraw/zinc/31/27/99/1417312799.db2.gz GRTPKMCLOBXLSZ-HXUWFJFHSA-N 1 0 384.524 3.135 20 30 GGEDRO C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136473807 1417320258 /nfs/dbraw/zinc/32/02/58/1417320258.db2.gz MZPOSDFTDKSBSH-YJBOKZPZSA-N 1 0 378.879 3.417 20 30 GGEDRO CCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccc(C)cc2)cc1 ZINC000136495531 1417321207 /nfs/dbraw/zinc/32/12/07/1417321207.db2.gz ZSKXVPPBTVCFMQ-SFHVURJKSA-O 1 0 383.537 3.410 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136495714 1417321222 /nfs/dbraw/zinc/32/12/22/1417321222.db2.gz XSQFBNATOHHOCU-SFHVURJKSA-O 1 0 383.537 3.464 20 30 GGEDRO O=C(c1ccc2c(c1)CCCC2)C(C(=S)NC[C@H]1CCOC1)[n+]1ccccc1 ZINC000136498800 1417321488 /nfs/dbraw/zinc/32/14/88/1417321488.db2.gz ZQWMNNQBOPPOQT-QGZVFWFLSA-O 1 0 395.548 3.418 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC[C@@H]1CCOC1)[n+]1ccc(C)cc1 ZINC000136515649 1417322804 /nfs/dbraw/zinc/32/28/04/1417322804.db2.gz ZRZOFNGOLCIHSM-KRWDZBQOSA-O 1 0 399.536 3.164 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccc(C)cc2)cc1 ZINC000136534571 1417324677 /nfs/dbraw/zinc/32/46/77/1417324677.db2.gz FYYRDNKQFRLUCZ-QGZVFWFLSA-O 1 0 399.536 3.246 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136543937 1417324917 /nfs/dbraw/zinc/32/49/17/1417324917.db2.gz JYPYSYLHMKAXGU-MRXNPFEDSA-O 1 0 389.566 3.471 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc([S@](C)=O)cc1 ZINC000178805271 1429175894 /nfs/dbraw/zinc/17/58/94/1429175894.db2.gz RZEDXUSMQHSOGC-SANMLTNESA-N 1 0 389.908 3.410 20 30 GGEDRO CCC[NH+]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000139949528 1417482435 /nfs/dbraw/zinc/48/24/35/1417482435.db2.gz IWYPFXSAGZQWMM-UHFFFAOYSA-N 1 0 379.508 3.248 20 30 GGEDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000139962409 1417483164 /nfs/dbraw/zinc/48/31/64/1417483164.db2.gz NZODLCIJWBTIMA-SFHVURJKSA-N 1 0 379.508 3.152 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000139978644 1417483758 /nfs/dbraw/zinc/48/37/58/1417483758.db2.gz JEJXREJZBXLAMR-GOSISDBHSA-N 1 0 377.492 3.047 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000139978774 1417483847 /nfs/dbraw/zinc/48/38/47/1417483847.db2.gz JEJXREJZBXLAMR-SFHVURJKSA-N 1 0 377.492 3.047 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)CC[C@@H]21 ZINC000140081663 1417487743 /nfs/dbraw/zinc/48/77/43/1417487743.db2.gz UDEBQSPFUOTZKV-UEKLYDJUSA-N 1 0 396.535 3.374 20 30 GGEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1Cc2ccccc2C1 ZINC000141179058 1417528142 /nfs/dbraw/zinc/52/81/42/1417528142.db2.gz UZSXZHPPUUQDEM-UHFFFAOYSA-N 1 0 386.417 3.272 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000141330037 1417533778 /nfs/dbraw/zinc/53/37/78/1417533778.db2.gz VEFLPHKPKFEGPD-NRFANRHFSA-N 1 0 375.472 3.448 20 30 GGEDRO C[C@@H](C#N)CN(C)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000143178825 1417617104 /nfs/dbraw/zinc/61/71/04/1417617104.db2.gz DJBQTCXKGFAIMN-FQEVSTJZSA-N 1 0 390.531 3.012 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000145957546 1417705293 /nfs/dbraw/zinc/70/52/93/1417705293.db2.gz SZLAVLZJHHPWLZ-CALCHBBNSA-N 1 0 387.524 3.063 20 30 GGEDRO CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178875863 1429206935 /nfs/dbraw/zinc/20/69/35/1429206935.db2.gz PTVUYSKTPHNFOS-YADHBBJMSA-N 1 0 382.552 3.162 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000149921402 1417781629 /nfs/dbraw/zinc/78/16/29/1417781629.db2.gz CKETUUQQTCUILC-IBGZPJMESA-N 1 0 379.508 3.295 20 30 GGEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000178884167 1429210117 /nfs/dbraw/zinc/21/01/17/1429210117.db2.gz FYBSGSXYUCADDH-INIZCTEOSA-N 1 0 376.497 3.476 20 30 GGEDRO Cc1nc(SCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(C#N)c(C)c1C ZINC000150741490 1417795428 /nfs/dbraw/zinc/79/54/28/1417795428.db2.gz NVGUICAQUOVGRH-GOSISDBHSA-N 1 0 386.565 3.448 20 30 GGEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000178884209 1429210219 /nfs/dbraw/zinc/21/02/19/1429210219.db2.gz BWZIGXRPUKIJRN-OAHLLOKOSA-N 1 0 376.497 3.476 20 30 GGEDRO C=CCc1cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000178884178 1429210439 /nfs/dbraw/zinc/21/04/39/1429210439.db2.gz FYBSGSXYUCADDH-MRXNPFEDSA-N 1 0 376.497 3.476 20 30 GGEDRO N#Cc1c(NC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)sc2c1CCCCC2 ZINC000150755634 1417800138 /nfs/dbraw/zinc/80/01/38/1417800138.db2.gz JCZKUEHGYQBHHW-MRXNPFEDSA-N 1 0 386.565 3.245 20 30 GGEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000178884195 1429210557 /nfs/dbraw/zinc/21/05/57/1429210557.db2.gz BWZIGXRPUKIJRN-HNNXBMFYSA-N 1 0 376.497 3.476 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1OCC#N ZINC000150792528 1417807847 /nfs/dbraw/zinc/80/78/47/1417807847.db2.gz YZXMSXRPPDCWPO-XSBJJCPUSA-N 1 0 383.492 3.088 20 30 GGEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)c1C#N ZINC000150834949 1417816543 /nfs/dbraw/zinc/81/65/43/1417816543.db2.gz KYGGCCVXWDXHDN-LJQANCHMSA-N 1 0 397.567 3.448 20 30 GGEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000150875108 1417825905 /nfs/dbraw/zinc/82/59/05/1417825905.db2.gz SDDBKPDNPBKIPW-GOSISDBHSA-N 1 0 384.524 3.490 20 30 GGEDRO C=CCCO[C@@H](C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000150878113 1417826675 /nfs/dbraw/zinc/82/66/75/1417826675.db2.gz UQHYEVHCQFBTKH-HNNXBMFYSA-N 1 0 399.457 3.055 20 30 GGEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000150888568 1417828584 /nfs/dbraw/zinc/82/85/84/1417828584.db2.gz BXYIBTCBGGSWKI-UHFFFAOYSA-N 1 0 389.565 3.492 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCC(=O)OC(C)(C)C ZINC000150937899 1417839883 /nfs/dbraw/zinc/83/98/83/1417839883.db2.gz FBUFARXKOFXWMF-UHFFFAOYSA-N 1 0 391.537 3.491 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000150975459 1417847156 /nfs/dbraw/zinc/84/71/56/1417847156.db2.gz BCVHHYLUXNOQSR-RTBURBONSA-N 1 0 391.515 3.404 20 30 GGEDRO N#Cc1ccnc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000151008228 1417854453 /nfs/dbraw/zinc/85/44/53/1417854453.db2.gz AHDUNPJFXGYBIE-UHFFFAOYSA-N 1 0 395.463 3.345 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+]2CCCC2)cc1 ZINC000151029694 1417858575 /nfs/dbraw/zinc/85/85/75/1417858575.db2.gz OFLAWRNJYHURSF-LJQANCHMSA-N 1 0 385.414 3.412 20 30 GGEDRO C[NH+](C)CCOc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC000151114260 1417875000 /nfs/dbraw/zinc/87/50/00/1417875000.db2.gz HHHOFKGAKQSOGU-UHFFFAOYSA-N 1 0 394.475 3.246 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)CN(CC#N)C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000151120519 1417876269 /nfs/dbraw/zinc/87/62/69/1417876269.db2.gz UIPLYWZGEUDOBX-JOCHJYFZSA-N 1 0 398.551 3.107 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151192173 1417891156 /nfs/dbraw/zinc/89/11/56/1417891156.db2.gz YAVWZVMMNXFFJY-QGZVFWFLSA-N 1 0 395.532 3.094 20 30 GGEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000151200161 1417892666 /nfs/dbraw/zinc/89/26/66/1417892666.db2.gz BASWRZFLQIDWKX-OAHLLOKOSA-N 1 0 387.480 3.201 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)cc1 ZINC000151210231 1417894400 /nfs/dbraw/zinc/89/44/00/1417894400.db2.gz XXPMNNNLCYYGSG-UHFFFAOYSA-N 1 0 380.444 3.413 20 30 GGEDRO CCN(C(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000151287099 1417915418 /nfs/dbraw/zinc/91/54/18/1417915418.db2.gz JFWINKMBVYPZDH-HNNXBMFYSA-N 1 0 386.471 3.138 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+]2CCCC2)c1 ZINC000151286658 1417915766 /nfs/dbraw/zinc/91/57/66/1417915766.db2.gz CVPCKNGIDIOTBF-LJQANCHMSA-N 1 0 385.414 3.412 20 30 GGEDRO N#CCC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000151295608 1417918335 /nfs/dbraw/zinc/91/83/35/1417918335.db2.gz AQSMBLNKSKCDMT-HBMCJLEFSA-N 1 0 384.524 3.099 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC000151308564 1417922103 /nfs/dbraw/zinc/92/21/03/1417922103.db2.gz GRHOVEQRXGZZNS-UHFFFAOYSA-N 1 0 397.910 3.112 20 30 GGEDRO CCOc1ccc([C@H](C)NC(=O)CCCNC(=[NH2+])Nc2ccc(OC)cc2)cc1 ZINC000151308021 1417922179 /nfs/dbraw/zinc/92/21/79/1417922179.db2.gz UWNOQRXXQJWDEZ-INIZCTEOSA-N 1 0 398.507 3.478 20 30 GGEDRO CCOc1ccc([C@@H](C)NC(=O)CCCNC(=[NH2+])Nc2ccc(OC)cc2)cc1 ZINC000151307957 1417922226 /nfs/dbraw/zinc/92/22/26/1417922226.db2.gz UWNOQRXXQJWDEZ-MRXNPFEDSA-N 1 0 398.507 3.478 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)CC1 ZINC000151550492 1418021805 /nfs/dbraw/zinc/02/18/05/1418021805.db2.gz UJYWKSFXSDICRD-UHFFFAOYSA-N 1 0 384.524 3.360 20 30 GGEDRO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)CO2 ZINC000152058138 1418133119 /nfs/dbraw/zinc/13/31/19/1418133119.db2.gz YVASGDODWPWOSV-NRFANRHFSA-N 1 0 390.487 3.218 20 30 GGEDRO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000152070474 1418137323 /nfs/dbraw/zinc/13/73/23/1418137323.db2.gz GZACNEDLXSOZGC-LJQANCHMSA-N 1 0 399.466 3.176 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2cccc(F)c2C#N)CC1 ZINC000178994962 1429237191 /nfs/dbraw/zinc/23/71/91/1429237191.db2.gz KYQXVXDGGOHTOA-UHFFFAOYSA-N 1 0 381.451 3.165 20 30 GGEDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000152130421 1418153004 /nfs/dbraw/zinc/15/30/04/1418153004.db2.gz OPUKYKGOUBALCS-SCLBCKFNSA-N 1 0 385.489 3.315 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000179171948 1429284446 /nfs/dbraw/zinc/28/44/46/1429284446.db2.gz VPRMYQOHIDKYPF-SFHVURJKSA-N 1 0 395.450 3.021 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000179218875 1429298069 /nfs/dbraw/zinc/29/80/69/1429298069.db2.gz BWHFBKYMKLGLCV-UHFFFAOYSA-N 1 0 396.457 3.187 20 30 GGEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389450 1429354763 /nfs/dbraw/zinc/35/47/63/1429354763.db2.gz LXOFLVYJYCNXNH-JOCHJYFZSA-N 1 0 392.503 3.406 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000179470538 1429386162 /nfs/dbraw/zinc/38/61/62/1429386162.db2.gz YYAUBPQQLAKJOH-NHCUHLMSSA-N 1 0 393.487 3.142 20 30 GGEDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1C ZINC000179672601 1429500662 /nfs/dbraw/zinc/50/06/62/1429500662.db2.gz IRZIDXMLOZMJQS-UYAOXDASSA-N 1 0 396.560 3.425 20 30 GGEDRO CN(C)C(=O)Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000179691249 1429508919 /nfs/dbraw/zinc/50/89/19/1429508919.db2.gz VRQZTHCEXBWELS-UHFFFAOYSA-N 1 0 376.504 3.265 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCSc3ccccn3)CC2)cc1 ZINC000152325728 1422073111 /nfs/dbraw/zinc/07/31/11/1422073111.db2.gz MIZXSXRJBRILQM-UHFFFAOYSA-N 1 0 380.517 3.170 20 30 GGEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152399256 1422093105 /nfs/dbraw/zinc/09/31/05/1422093105.db2.gz PQYDWXIWEQFJNR-JKSUJKDBSA-N 1 0 388.581 3.489 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179738162 1429530456 /nfs/dbraw/zinc/53/04/56/1429530456.db2.gz ZRCUVXNIFGQFAM-UHFFFAOYSA-N 1 0 394.306 3.487 20 30 GGEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C[C@H]2CCC[N@H+](C)C2)c1C#N ZINC000152479471 1422115108 /nfs/dbraw/zinc/11/51/08/1422115108.db2.gz FUWQFIYHZGIDMH-SFHVURJKSA-N 1 0 385.556 3.304 20 30 GGEDRO CC(C)(C)OC(=O)N1CC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000152495750 1422120572 /nfs/dbraw/zinc/12/05/72/1422120572.db2.gz GMSRQMWWBNZQRU-UHFFFAOYSA-N 1 0 381.480 3.173 20 30 GGEDRO CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152618136 1422168674 /nfs/dbraw/zinc/16/86/74/1422168674.db2.gz IHYQLENUEVTMEO-OAQYLSRUSA-N 1 0 394.560 3.152 20 30 GGEDRO CCS[C@@H](C)c1noc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000152648090 1422187293 /nfs/dbraw/zinc/18/72/93/1422187293.db2.gz ZPDFPDHKSGBPCI-BXUJETTOSA-N 1 0 376.482 3.271 20 30 GGEDRO CCS[C@H](C)c1noc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000152648182 1422187641 /nfs/dbraw/zinc/18/76/41/1422187641.db2.gz ZPDFPDHKSGBPCI-ONDHQXCVSA-N 1 0 376.482 3.271 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000152842500 1422268282 /nfs/dbraw/zinc/26/82/82/1422268282.db2.gz VXIBAXGTFUVVFD-UHFFFAOYSA-N 1 0 392.507 3.090 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000152931186 1422300244 /nfs/dbraw/zinc/30/02/44/1422300244.db2.gz OZCOGTZUZJCLIN-INIZCTEOSA-N 1 0 375.513 3.051 20 30 GGEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000152959912 1422308415 /nfs/dbraw/zinc/30/84/15/1422308415.db2.gz ZLOWVSSGOLMTMW-QZTJIDSGSA-N 1 0 383.410 3.189 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000152969134 1422310896 /nfs/dbraw/zinc/31/08/96/1422310896.db2.gz ZLUNNRUDZKSXJA-SFHVURJKSA-N 1 0 393.597 3.408 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000152978283 1422314643 /nfs/dbraw/zinc/31/46/43/1422314643.db2.gz NDCXJXXQJOMTAL-UGSOOPFHSA-N 1 0 388.851 3.225 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000152978420 1422314697 /nfs/dbraw/zinc/31/46/97/1422314697.db2.gz NDCXJXXQJOMTAL-ACJLOTCBSA-N 1 0 388.851 3.225 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000152979262 1422315214 /nfs/dbraw/zinc/31/52/14/1422315214.db2.gz QVQKUKCWMMIGFJ-IBGZPJMESA-N 1 0 387.863 3.337 20 30 GGEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000153036638 1422334938 /nfs/dbraw/zinc/33/49/38/1422334938.db2.gz LZAGRSGUXBLVOR-GJZGRUSLSA-N 1 0 375.538 3.453 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179767303 1429549357 /nfs/dbraw/zinc/54/93/57/1429549357.db2.gz BQKKCFIGLNCELD-MRXNPFEDSA-N 1 0 382.508 3.371 20 30 GGEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@H](C[NH+](C)C)C2)c1=S ZINC000153148437 1422372272 /nfs/dbraw/zinc/37/22/72/1422372272.db2.gz CGJYAOXXLRZXRH-OAHLLOKOSA-N 1 0 375.517 3.247 20 30 GGEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000153162879 1422377356 /nfs/dbraw/zinc/37/73/56/1422377356.db2.gz SXMYGYHDTNNDBN-JOCHJYFZSA-N 1 0 376.504 3.209 20 30 GGEDRO CCCOc1ccc2c(c1)CC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000153215363 1422396377 /nfs/dbraw/zinc/39/63/77/1422396377.db2.gz BLYKMBWPTCSPSF-OAQYLSRUSA-N 1 0 380.488 3.339 20 30 GGEDRO CC(=O)OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000153301043 1422452375 /nfs/dbraw/zinc/45/23/75/1422452375.db2.gz JAQHOJBLEOBDMN-UHFFFAOYSA-N 1 0 389.521 3.245 20 30 GGEDRO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153341141 1422479042 /nfs/dbraw/zinc/47/90/42/1422479042.db2.gz KWVSKNHAWAVJTI-SNVBAGLBSA-N 1 0 395.294 3.062 20 30 GGEDRO CC[C@@H](c1ccc(F)cc1F)N1CCN(C(NCc2nccs2)=[NH+]C)CC1 ZINC000153508511 1422577163 /nfs/dbraw/zinc/57/71/63/1422577163.db2.gz XCZBSIBPSPZEAI-KRWDZBQOSA-N 1 0 393.507 3.266 20 30 GGEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000153546543 1422602633 /nfs/dbraw/zinc/60/26/33/1422602633.db2.gz IRYMIYGXSOUODX-UHFFFAOYSA-N 1 0 390.821 3.494 20 30 GGEDRO COC(=O)c1cc(C)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000153654230 1422682556 /nfs/dbraw/zinc/68/25/56/1422682556.db2.gz LKRLTYSLCLYVRO-UHFFFAOYSA-N 1 0 394.475 3.249 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153679845 1422699403 /nfs/dbraw/zinc/69/94/03/1422699403.db2.gz GBGPWRZKAXRZTB-AZUAARDMSA-N 1 0 397.519 3.201 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153679627 1422699522 /nfs/dbraw/zinc/69/95/22/1422699522.db2.gz GBGPWRZKAXRZTB-UYAOXDASSA-N 1 0 397.519 3.201 20 30 GGEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000153700308 1422709202 /nfs/dbraw/zinc/70/92/02/1422709202.db2.gz GCNFGBSJIIQOSQ-KRWDZBQOSA-N 1 0 383.517 3.371 20 30 GGEDRO C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CCS[C@H](C(C)C)C1 ZINC000153782859 1422754874 /nfs/dbraw/zinc/75/48/74/1422754874.db2.gz WWMURANVPWFRAO-NSHDSACASA-N 1 0 380.505 3.353 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)CNc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000153899676 1422807828 /nfs/dbraw/zinc/80/78/28/1422807828.db2.gz RTNCLCDKVDDHQX-NRFANRHFSA-N 1 0 392.503 3.322 20 30 GGEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153916717 1422810214 /nfs/dbraw/zinc/81/02/14/1422810214.db2.gz SNBNVDDWBUUILR-UZKOGDIHSA-N 1 0 381.520 3.437 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000153918895 1422810746 /nfs/dbraw/zinc/81/07/46/1422810746.db2.gz KEUIKZQEVTVZSJ-CQSZACIVSA-N 1 0 385.455 3.213 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1OCCCC#N ZINC000153939635 1422814427 /nfs/dbraw/zinc/81/44/27/1422814427.db2.gz ROJSWVMNCIGZKF-QGZVFWFLSA-N 1 0 384.455 3.280 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000154007583 1422824599 /nfs/dbraw/zinc/82/45/99/1422824599.db2.gz WYBLMIIOKLWXMH-JOCHJYFZSA-N 1 0 376.500 3.412 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCCO)Cc2cccc(Cl)c2)CC1 ZINC000154122725 1422843176 /nfs/dbraw/zinc/84/31/76/1422843176.db2.gz SKEMMEIFJNLVAP-UHFFFAOYSA-N 1 0 379.932 3.275 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000154221557 1422857470 /nfs/dbraw/zinc/85/74/70/1422857470.db2.gz HHSCLMCQSRIJBL-MBSDFSHPSA-N 1 0 392.499 3.458 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000154221651 1422857521 /nfs/dbraw/zinc/85/75/21/1422857521.db2.gz HHSCLMCQSRIJBL-JPYJTQIMSA-N 1 0 392.499 3.458 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000154221830 1422857546 /nfs/dbraw/zinc/85/75/46/1422857546.db2.gz HHSCLMCQSRIJBL-WZONZLPQSA-N 1 0 392.499 3.458 20 30 GGEDRO Cc1oc2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)nc(N)c2c1C ZINC000154241646 1422860707 /nfs/dbraw/zinc/86/07/07/1422860707.db2.gz UDRQVQKVBHHHBG-UHFFFAOYSA-N 1 0 390.491 3.001 20 30 GGEDRO COc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1C#N ZINC000154356314 1422877683 /nfs/dbraw/zinc/87/76/83/1422877683.db2.gz FIUMZBAMWFHVTE-NHCUHLMSSA-N 1 0 385.895 3.382 20 30 GGEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cc1 ZINC000154431420 1422888162 /nfs/dbraw/zinc/88/81/62/1422888162.db2.gz CXHHLDNTMSJRHT-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO C=CCC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000154455382 1422891193 /nfs/dbraw/zinc/89/11/93/1422891193.db2.gz RVOYBUVBDBFMGR-OAQYLSRUSA-N 1 0 378.520 3.417 20 30 GGEDRO C=CCC[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000154455268 1422891268 /nfs/dbraw/zinc/89/12/68/1422891268.db2.gz RVOYBUVBDBFMGR-NRFANRHFSA-N 1 0 378.520 3.417 20 30 GGEDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+]1CCCC1 ZINC000154464606 1422892109 /nfs/dbraw/zinc/89/21/09/1422892109.db2.gz AKAXLQOYQQGJTP-GOSISDBHSA-N 1 0 390.915 3.167 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1cccc(C)c1 ZINC000154487697 1422895641 /nfs/dbraw/zinc/89/56/41/1422895641.db2.gz LKXAGVFIWGRISO-HNNXBMFYSA-O 1 0 396.536 3.494 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccccc1 ZINC000154487930 1422895688 /nfs/dbraw/zinc/89/56/88/1422895688.db2.gz YPUVZVAIHZTMIY-AWEZNQCLSA-O 1 0 382.509 3.186 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1cccc(C)c1 ZINC000154487584 1422895692 /nfs/dbraw/zinc/89/56/92/1422895692.db2.gz LKXAGVFIWGRISO-OAHLLOKOSA-O 1 0 396.536 3.494 20 30 GGEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+]1CCC(C)CC1 ZINC000154504687 1422897879 /nfs/dbraw/zinc/89/78/79/1422897879.db2.gz DMQNRGDWZCOXOC-GOSISDBHSA-N 1 0 390.915 3.023 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1cccc(C)c1 ZINC000154529982 1422904210 /nfs/dbraw/zinc/90/42/10/1422904210.db2.gz LGOORHQIUADFLM-HNNXBMFYSA-O 1 0 385.509 3.381 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1cccc(C)c1 ZINC000154529889 1422904824 /nfs/dbraw/zinc/90/48/24/1422904824.db2.gz LGOORHQIUADFLM-OAHLLOKOSA-O 1 0 385.509 3.381 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(C)cc1 ZINC000154530861 1422906818 /nfs/dbraw/zinc/90/68/18/1422906818.db2.gz IAYWNGHABAIPEP-HNNXBMFYSA-O 1 0 385.509 3.381 20 30 GGEDRO Cc1oc(NC(=O)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c(C#N)c1C ZINC000154612325 1422961137 /nfs/dbraw/zinc/96/11/37/1422961137.db2.gz ZSKBRZAWNSHSSR-HXUWFJFHSA-N 1 0 381.476 3.469 20 30 GGEDRO COc1cccc2c1CC[C@@H]2NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000154715736 1423010171 /nfs/dbraw/zinc/01/01/71/1423010171.db2.gz PYGLVYKNVPUMMY-NRFANRHFSA-N 1 0 392.503 3.328 20 30 GGEDRO CC1([C@H]2CCCN(C(NCCc3ccco3)=[NH+]C3CCCC3)C2)OCCO1 ZINC000154745022 1423019692 /nfs/dbraw/zinc/01/96/92/1423019692.db2.gz HLCVZHMLJZHGMZ-KRWDZBQOSA-N 1 0 375.513 3.185 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1OCC#N ZINC000154943073 1423086977 /nfs/dbraw/zinc/08/69/77/1423086977.db2.gz LBAZSBVCNDBZOM-CSKARUKUSA-N 1 0 383.492 3.088 20 30 GGEDRO Cc1ccc(Br)cc1NC(=O)CNC(=[NH2+])NC1CCCCCC1 ZINC000179865794 1429615826 /nfs/dbraw/zinc/61/58/26/1429615826.db2.gz KRIWOBGOQDZWSD-UHFFFAOYSA-N 1 0 381.318 3.323 20 30 GGEDRO COc1cc(N[C@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000155123200 1423181531 /nfs/dbraw/zinc/18/15/31/1423181531.db2.gz QJHHABNSQFQRDS-AVRDEDQJSA-N 1 0 381.476 3.185 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000155161888 1423203919 /nfs/dbraw/zinc/20/39/19/1423203919.db2.gz BSVHQSNXQHFIHL-HXUWFJFHSA-N 1 0 394.515 3.260 20 30 GGEDRO C[NH+]=C(NCc1c(C)nn(C)c1C)N(C)Cc1ccc(Br)cc1 ZINC000155226126 1423257856 /nfs/dbraw/zinc/25/78/56/1423257856.db2.gz QFZRESSHZUAHNR-UHFFFAOYSA-N 1 0 378.318 3.007 20 30 GGEDRO Cn1cc(CN2CC[NH+](CCc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179894171 1429628019 /nfs/dbraw/zinc/62/80/19/1429628019.db2.gz FMLWIWXDELXPSF-UHFFFAOYSA-N 1 0 385.515 3.319 20 30 GGEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000155369885 1423336848 /nfs/dbraw/zinc/33/68/48/1423336848.db2.gz RSFYGQMBFQRDCS-AWEZNQCLSA-N 1 0 390.915 3.167 20 30 GGEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000155433789 1423361430 /nfs/dbraw/zinc/36/14/30/1423361430.db2.gz KVAHAKCWMKLZJM-QFIPXVFZSA-N 1 0 375.472 3.148 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@H]3OCCC[C@@H]3C2)c1C#N ZINC000155493378 1423385644 /nfs/dbraw/zinc/38/56/44/1423385644.db2.gz TZLONOHLFZDXRX-WIYYLYMNSA-N 1 0 392.503 3.405 20 30 GGEDRO CN1CCC([N@H+](CCO)Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000155495410 1423386528 /nfs/dbraw/zinc/38/65/28/1423386528.db2.gz CRZRSQAMIFXAOD-UHFFFAOYSA-N 1 0 379.504 3.026 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000155507426 1423392217 /nfs/dbraw/zinc/39/22/17/1423392217.db2.gz BBNNUVCLZUKXBH-IAGOWNOFSA-N 1 0 378.476 3.062 20 30 GGEDRO CC[N@H+](CCCOc1cccc(C#N)c1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000155513866 1423394941 /nfs/dbraw/zinc/39/49/41/1423394941.db2.gz NAUOLMPOSKYHGR-UHFFFAOYSA-N 1 0 394.475 3.246 20 30 GGEDRO COc1cc(F)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000155631914 1423457099 /nfs/dbraw/zinc/45/70/99/1423457099.db2.gz DTJNPQRUYMEBKN-UHFFFAOYSA-N 1 0 388.418 3.441 20 30 GGEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000155699388 1423492687 /nfs/dbraw/zinc/49/26/87/1423492687.db2.gz QJKQBNOVIZGWQT-KRWDZBQOSA-N 1 0 392.503 3.452 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1Cl ZINC000155721306 1423504093 /nfs/dbraw/zinc/50/40/93/1423504093.db2.gz BRWBTULNKCUMOY-KRWDZBQOSA-N 1 0 396.878 3.161 20 30 GGEDRO COc1cc(C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000155732225 1423508776 /nfs/dbraw/zinc/50/87/76/1423508776.db2.gz BWESWCLJWOMLJY-UHFFFAOYSA-N 1 0 380.492 3.149 20 30 GGEDRO C[NH+]=C(NC[C@H]1CCN(c2cc(Cl)ccc2C)C1)N(C)C[C@@H]1CCOC1 ZINC000155965615 1423613299 /nfs/dbraw/zinc/61/32/99/1423613299.db2.gz YMTFQIKEJLEOIV-SJORKVTESA-N 1 0 378.948 3.018 20 30 GGEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000156002992 1423629216 /nfs/dbraw/zinc/62/92/16/1423629216.db2.gz XRJRPDTUCJNRKC-HXUWFJFHSA-N 1 0 383.879 3.423 20 30 GGEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000156002861 1423629514 /nfs/dbraw/zinc/62/95/14/1423629514.db2.gz XRJRPDTUCJNRKC-FQEVSTJZSA-N 1 0 383.879 3.423 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156007792 1423631445 /nfs/dbraw/zinc/63/14/45/1423631445.db2.gz FUOFFGGZMDCZLM-FGZHOGPDSA-N 1 0 398.551 3.248 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156007891 1423631879 /nfs/dbraw/zinc/63/18/79/1423631879.db2.gz FUOFFGGZMDCZLM-FCHUYYIVSA-N 1 0 398.551 3.248 20 30 GGEDRO Cc1cc(C(=O)NC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c(C)o1 ZINC000156046229 1423648272 /nfs/dbraw/zinc/64/82/72/1423648272.db2.gz SEPPJICYGWVENK-UHFFFAOYSA-N 1 0 381.476 3.431 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156083727 1423665030 /nfs/dbraw/zinc/66/50/30/1423665030.db2.gz JNCNNAMRCJIUFQ-RBUKOAKNSA-N 1 0 377.554 3.214 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156104284 1423674281 /nfs/dbraw/zinc/67/42/81/1423674281.db2.gz NPRLFCWVKLCWJM-RTWAWAEBSA-N 1 0 389.515 3.291 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCc2ccccc21)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156116218 1423679383 /nfs/dbraw/zinc/67/93/83/1423679383.db2.gz LODDPQWLNZBBHL-FPOVZHCZSA-N 1 0 385.552 3.342 20 30 GGEDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000156139096 1423689782 /nfs/dbraw/zinc/68/97/82/1423689782.db2.gz BPIMLBSKPBVLGG-UHFFFAOYSA-N 1 0 391.924 3.354 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)CC2CCOCC2)c1C#N ZINC000156163915 1423702026 /nfs/dbraw/zinc/70/20/26/1423702026.db2.gz WYNWIPJPDOLPPA-UHFFFAOYSA-N 1 0 380.492 3.263 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000156171031 1423705041 /nfs/dbraw/zinc/70/50/41/1423705041.db2.gz VRAOZQSLQHRKGC-UHFFFAOYSA-N 1 0 393.462 3.039 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156186759 1423712585 /nfs/dbraw/zinc/71/25/85/1423712585.db2.gz PWJSHYCATHNJRT-FGZHOGPDSA-N 1 0 385.552 3.195 20 30 GGEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000179969927 1429667775 /nfs/dbraw/zinc/66/77/75/1429667775.db2.gz SMXAQWXAHKRGLK-BTYIYWSLSA-N 1 0 376.460 3.363 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156256486 1423745032 /nfs/dbraw/zinc/74/50/32/1423745032.db2.gz NHJIQIGVMFPEMD-FGZHOGPDSA-N 1 0 396.535 3.024 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156256606 1423745166 /nfs/dbraw/zinc/74/51/66/1423745166.db2.gz NHJIQIGVMFPEMD-FCHUYYIVSA-N 1 0 396.535 3.024 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCC(CO)CC1 ZINC000156257301 1423745586 /nfs/dbraw/zinc/74/55/86/1423745586.db2.gz UJEBAKGOFHRRKO-UHFFFAOYSA-N 1 0 375.538 3.310 20 30 GGEDRO NC(=[NH+]OCc1ncn(-c2ccccc2)n1)c1ccc(N2CCCCC2)cc1 ZINC000179972469 1429669761 /nfs/dbraw/zinc/66/97/61/1429669761.db2.gz CCMCWNRBAPZAFH-UHFFFAOYSA-N 1 0 376.464 3.095 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000179973926 1429670502 /nfs/dbraw/zinc/67/05/02/1429670502.db2.gz WDBSMSBGEXTISN-BEFAXECRSA-N 1 0 379.460 3.422 20 30 GGEDRO C=CCC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000156329856 1423782323 /nfs/dbraw/zinc/78/23/23/1423782323.db2.gz JQWLNGXBDPBHHG-NRFANRHFSA-N 1 0 393.535 3.340 20 30 GGEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000156383152 1423802752 /nfs/dbraw/zinc/80/27/52/1423802752.db2.gz CHNKYMDNBCSSSJ-HNNXBMFYSA-N 1 0 377.945 3.357 20 30 GGEDRO C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000156396777 1423805354 /nfs/dbraw/zinc/80/53/54/1423805354.db2.gz ZMXQXJMMRSBKQM-OAHLLOKOSA-N 1 0 377.945 3.357 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179981208 1429673866 /nfs/dbraw/zinc/67/38/66/1429673866.db2.gz ONQQMBZAQJEISG-UHFFFAOYSA-N 1 0 398.532 3.189 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2cccc(C)c2C#N)CC1 ZINC000156573609 1423830853 /nfs/dbraw/zinc/83/08/53/1423830853.db2.gz XXZBGJWXFITWNX-UHFFFAOYSA-N 1 0 383.517 3.118 20 30 GGEDRO Cc1cc(C)n2c(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)cnc2n1 ZINC000156662040 1423843783 /nfs/dbraw/zinc/84/37/83/1423843783.db2.gz NGWUCPCFJNHVFP-KRWDZBQOSA-N 1 0 378.455 3.116 20 30 GGEDRO Cc1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1C#N ZINC000156928845 1423887791 /nfs/dbraw/zinc/88/77/91/1423887791.db2.gz JMMRDJYEZPEFRQ-MRXNPFEDSA-N 1 0 389.546 3.119 20 30 GGEDRO Cc1cc(C)n(-c2ccccc2CNC(=[NH2+])N[C@H]2CCOc3ccccc32)n1 ZINC000156969199 1423894746 /nfs/dbraw/zinc/89/47/46/1423894746.db2.gz BWTPRZMSQADVDD-IBGZPJMESA-N 1 0 375.476 3.417 20 30 GGEDRO C[C@H]1C[C@@H](N(C)CC(=O)NC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157003185 1423899904 /nfs/dbraw/zinc/89/99/04/1423899904.db2.gz YWGVMSJVCWWXEC-FPOVZHCZSA-N 1 0 382.552 3.314 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)CC(=O)NC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157003018 1423900061 /nfs/dbraw/zinc/90/00/61/1423900061.db2.gz YWGVMSJVCWWXEC-CTNGQTDRSA-N 1 0 382.552 3.314 20 30 GGEDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000157062561 1423914186 /nfs/dbraw/zinc/91/41/86/1423914186.db2.gz QOPKYDHEPJJRFB-AVRDEDQJSA-N 1 0 376.504 3.482 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000157062400 1423914280 /nfs/dbraw/zinc/91/42/80/1423914280.db2.gz QOPKYDHEPJJRFB-GCJKJVERSA-N 1 0 376.504 3.482 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000157073799 1423918131 /nfs/dbraw/zinc/91/81/31/1423918131.db2.gz MTJXNHUMMUFTLA-HXUWFJFHSA-N 1 0 384.524 3.123 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157169343 1423943496 /nfs/dbraw/zinc/94/34/96/1423943496.db2.gz FJVUBYMJISGDDQ-QUCCMNQESA-N 1 0 386.515 3.411 20 30 GGEDRO Fc1ccc(C#CCN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000157321058 1423983972 /nfs/dbraw/zinc/98/39/72/1423983972.db2.gz YHABEIQFQXWWIV-QFIPXVFZSA-N 1 0 392.522 3.106 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCC(=O)Nc3sccc3C#N)ccc2NC1=O ZINC000180010142 1429688957 /nfs/dbraw/zinc/68/89/57/1429688957.db2.gz BWAJLDSXXRXDHD-LRDDRELGSA-N 1 0 398.488 3.409 20 30 GGEDRO NC(=O)CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000157366625 1423995714 /nfs/dbraw/zinc/99/57/14/1423995714.db2.gz GINVXLVEHYIXAN-UHFFFAOYSA-N 1 0 376.378 3.314 20 30 GGEDRO CC[NH+]1CCC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000157500608 1424024821 /nfs/dbraw/zinc/02/48/21/1424024821.db2.gz SLFXHQFVSGCSLJ-UHFFFAOYSA-N 1 0 385.556 3.446 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)N(C)C3(C#N)CCCCC3)ccc2NC1=O ZINC000180015029 1429692465 /nfs/dbraw/zinc/69/24/65/1429692465.db2.gz ZKYCKXYRRFFPPI-YJBOKZPZSA-N 1 0 398.507 3.132 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180015512 1429692886 /nfs/dbraw/zinc/69/28/86/1429692886.db2.gz TUGIDIRTIMLFDH-KRWDZBQOSA-N 1 0 395.507 3.305 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)ccc2NC1=O ZINC000180015518 1429692907 /nfs/dbraw/zinc/69/29/07/1429692907.db2.gz MJKCAMMABJQKJK-PXAZEXFGSA-N 1 0 396.447 3.167 20 30 GGEDRO Cc1cccc(S(=O)(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1C#N ZINC000157646420 1424057064 /nfs/dbraw/zinc/05/70/64/1424057064.db2.gz WRBUGVWLVLTSGS-QGZVFWFLSA-N 1 0 383.517 3.371 20 30 GGEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCC(=O)Nc3ccc(C#N)cc3)ccc2NC1=O ZINC000180017336 1429694968 /nfs/dbraw/zinc/69/49/68/1429694968.db2.gz CGVIDCCFYLAHFH-IFXJQAMLSA-N 1 0 392.459 3.347 20 30 GGEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000157694407 1424066379 /nfs/dbraw/zinc/06/63/79/1424066379.db2.gz YUKJNCCDBYUXDT-UHFFFAOYSA-N 1 0 381.451 3.234 20 30 GGEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000157835747 1424099242 /nfs/dbraw/zinc/09/92/42/1424099242.db2.gz PERWJDLTNAGNJS-FXAWDEMLSA-N 1 0 383.517 3.232 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCC(=O)Nc3cccc(C#N)c3)ccc2NC1=O ZINC000180028992 1429702944 /nfs/dbraw/zinc/70/29/44/1429702944.db2.gz AFPISFDNYCBIPR-LIRRHRJNSA-N 1 0 392.459 3.347 20 30 GGEDRO C[NH+]=C(NCc1ccc(Br)cc1Cl)N1CC[C@]2(CCOC2)C1 ZINC000158002806 1424138023 /nfs/dbraw/zinc/13/80/23/1424138023.db2.gz QRJHIPPUYAWBNA-INIZCTEOSA-N 1 0 386.721 3.290 20 30 GGEDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000180026786 1429701593 /nfs/dbraw/zinc/70/15/93/1429701593.db2.gz OXDDEJDHSUZJFX-OAQYLSRUSA-N 1 0 377.467 3.490 20 30 GGEDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000180026775 1429701632 /nfs/dbraw/zinc/70/16/32/1429701632.db2.gz OXDDEJDHSUZJFX-NRFANRHFSA-N 1 0 377.467 3.490 20 30 GGEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158059312 1424153054 /nfs/dbraw/zinc/15/30/54/1424153054.db2.gz GGSFICNDWWOSMX-QGZVFWFLSA-N 1 0 382.426 3.421 20 30 GGEDRO Cn1cc(C[NH2+]Cc2ccccc2Cn2cccn2)c(-c2ccc(C#N)cc2)n1 ZINC000180038130 1429707552 /nfs/dbraw/zinc/70/75/52/1429707552.db2.gz VDVNUVGGHFLNQQ-UHFFFAOYSA-N 1 0 382.471 3.493 20 30 GGEDRO C[NH+]=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CC[C@@]2(CCOC2)C1 ZINC000158064607 1424154208 /nfs/dbraw/zinc/15/42/08/1424154208.db2.gz JZHNOGQKYIKNDW-OAQYLSRUSA-N 1 0 384.455 3.201 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000158142376 1424177934 /nfs/dbraw/zinc/17/79/34/1424177934.db2.gz FBOPZKVEDFYCFX-MRXNPFEDSA-N 1 0 395.286 3.099 20 30 GGEDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180033646 1429704878 /nfs/dbraw/zinc/70/48/78/1429704878.db2.gz YBUREXNWSXMGPI-UHFFFAOYSA-N 1 0 392.459 3.274 20 30 GGEDRO C=CCNC(=O)C[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000180035101 1429706396 /nfs/dbraw/zinc/70/63/96/1429706396.db2.gz JABCEBLHNIMWQJ-CYBMUJFWSA-N 1 0 389.521 3.012 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000158302405 1424221279 /nfs/dbraw/zinc/22/12/79/1424221279.db2.gz RKUSZRBUNWOJBU-MSOLQXFVSA-N 1 0 386.565 3.437 20 30 GGEDRO COc1cccc([C@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)[NH+](C)C)c1 ZINC000180045610 1429711518 /nfs/dbraw/zinc/71/15/18/1429711518.db2.gz JQUUMUFFXKPRNY-KXBFYZLASA-N 1 0 382.464 3.410 20 30 GGEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(-n2nnnc2C)ccc1F)c1ccccc1 ZINC000180049370 1429713452 /nfs/dbraw/zinc/71/34/52/1429713452.db2.gz WJRGOKSKIYLEDL-LJQANCHMSA-N 1 0 394.454 3.345 20 30 GGEDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000180054240 1429716520 /nfs/dbraw/zinc/71/65/20/1429716520.db2.gz YNCGZXQUVTZNDM-UHFFFAOYSA-N 1 0 397.422 3.117 20 30 GGEDRO N#CC1(NC(=O)CN2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000158702454 1424323117 /nfs/dbraw/zinc/32/31/17/1424323117.db2.gz YNCLWCORLCFUMS-IRXDYDNUSA-N 1 0 395.425 3.156 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)CC1 ZINC000158731397 1424328933 /nfs/dbraw/zinc/32/89/33/1424328933.db2.gz KQCSIMKCFIWPMP-XMMPIXPASA-N 1 0 390.527 3.402 20 30 GGEDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(OC)c1OC ZINC000180062694 1429719639 /nfs/dbraw/zinc/71/96/39/1429719639.db2.gz YNMXVPODURFYRW-UHFFFAOYSA-N 1 0 392.459 3.274 20 30 GGEDRO CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000158917877 1424372194 /nfs/dbraw/zinc/37/21/94/1424372194.db2.gz UTEXCLZXRJICAX-VXKWHMMOSA-N 1 0 397.567 3.037 20 30 GGEDRO Cc1nccn1-c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cn1 ZINC000180070561 1429723575 /nfs/dbraw/zinc/72/35/75/1429723575.db2.gz QSXSBPKBAXNDHI-UHFFFAOYSA-N 1 0 383.459 3.138 20 30 GGEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000159047285 1424404629 /nfs/dbraw/zinc/40/46/29/1424404629.db2.gz JZUFUEDLHBZQHU-JOCHJYFZSA-N 1 0 392.503 3.485 20 30 GGEDRO N#Cc1ccc(F)cc1CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000159063258 1424408657 /nfs/dbraw/zinc/40/86/57/1424408657.db2.gz JBCDYAVLRGDNQD-LJQANCHMSA-N 1 0 393.510 3.127 20 30 GGEDRO N#Cc1ccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)[nH]1 ZINC000159258982 1424462430 /nfs/dbraw/zinc/46/24/30/1424462430.db2.gz OTHPGSHWCLVAIA-MRXNPFEDSA-N 1 0 390.409 3.413 20 30 GGEDRO N#Cc1ccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)[nH]1 ZINC000159258846 1424462895 /nfs/dbraw/zinc/46/28/95/1424462895.db2.gz OTHPGSHWCLVAIA-INIZCTEOSA-N 1 0 390.409 3.413 20 30 GGEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)ccc1OCC(C)C ZINC000180089120 1429732269 /nfs/dbraw/zinc/73/22/69/1429732269.db2.gz VREMLFOAMYGFDI-IERDGZPVSA-N 1 0 375.513 3.435 20 30 GGEDRO CCCCn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000159741189 1424531045 /nfs/dbraw/zinc/53/10/45/1424531045.db2.gz JFJYJLCKCCXACF-UHFFFAOYSA-N 1 0 382.512 3.459 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159786192 1424535172 /nfs/dbraw/zinc/53/51/72/1424535172.db2.gz MNEDKTDTULZVLY-KEYYUXOJSA-N 1 0 375.538 3.308 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000159779427 1424535233 /nfs/dbraw/zinc/53/52/33/1424535233.db2.gz HHSKZKAGIVBXTN-UHFFFAOYSA-N 1 0 399.457 3.028 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000159786889 1424536968 /nfs/dbraw/zinc/53/69/68/1424536968.db2.gz GSVWOPZLRYFSIE-JXFKEZNVSA-N 1 0 398.482 3.136 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000159807188 1424537859 /nfs/dbraw/zinc/53/78/59/1424537859.db2.gz LMEAALUZNHNURL-UHFFFAOYSA-N 1 0 399.457 3.028 20 30 GGEDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000159877016 1424547778 /nfs/dbraw/zinc/54/77/78/1424547778.db2.gz JONUXRFTQIPFAA-JKSUJKDBSA-N 1 0 389.459 3.024 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000159944620 1424554532 /nfs/dbraw/zinc/55/45/32/1424554532.db2.gz OZQDQUCRLXSXLD-LAUBAEHRSA-N 1 0 392.503 3.387 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000159949181 1424555468 /nfs/dbraw/zinc/55/54/68/1424555468.db2.gz ASFUCNNZLRPBGO-ZBFHGGJFSA-N 1 0 384.509 3.258 20 30 GGEDRO C=CCC[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000159958223 1424557288 /nfs/dbraw/zinc/55/72/88/1424557288.db2.gz IYMMPGSJAIIETE-NRFANRHFSA-N 1 0 378.520 3.417 20 30 GGEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000159999506 1424560513 /nfs/dbraw/zinc/56/05/13/1424560513.db2.gz SNGHMFRSONTZBG-FXAWDEMLSA-N 1 0 383.517 3.232 20 30 GGEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000159999387 1424560624 /nfs/dbraw/zinc/56/06/24/1424560624.db2.gz SNGHMFRSONTZBG-YLJYHZDGSA-N 1 0 383.517 3.232 20 30 GGEDRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000160049290 1424566422 /nfs/dbraw/zinc/56/64/22/1424566422.db2.gz FKIHWPLROZWMFW-GOSISDBHSA-N 1 0 386.540 3.399 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3ccccc3cc2OC(F)F)c1C#N ZINC000160124134 1424577064 /nfs/dbraw/zinc/57/70/64/1424577064.db2.gz PMJHLOKFTVFMNS-UHFFFAOYSA-N 1 0 399.401 3.440 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(CC(F)(F)F)CC3)C2)c(F)c1 ZINC000160135415 1424577697 /nfs/dbraw/zinc/57/76/97/1424577697.db2.gz AFJNAXPEXGJHSJ-MRXNPFEDSA-N 1 0 384.421 3.282 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(C(=O)c4ccoc4)CC3)C2)c(F)c1 ZINC000160135100 1424578042 /nfs/dbraw/zinc/57/80/42/1424578042.db2.gz XURDXZIENHOYAX-LJQANCHMSA-N 1 0 396.466 3.154 20 30 GGEDRO Cc1c(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000160174418 1424583722 /nfs/dbraw/zinc/58/37/22/1424583722.db2.gz UVECFBAYSXNYCZ-UHFFFAOYSA-N 1 0 392.459 3.052 20 30 GGEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000160198608 1424586582 /nfs/dbraw/zinc/58/65/82/1424586582.db2.gz VIDZMYMAPPNQTL-HXUWFJFHSA-N 1 0 389.496 3.200 20 30 GGEDRO N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160351435 1424597719 /nfs/dbraw/zinc/59/77/19/1424597719.db2.gz ZQKSADOQVZXUJO-GOSISDBHSA-N 1 0 395.528 3.286 20 30 GGEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000160401547 1424601008 /nfs/dbraw/zinc/60/10/08/1424601008.db2.gz OYVKVRHYDWMBAE-UHFFFAOYSA-N 1 0 377.488 3.450 20 30 GGEDRO C[C@@H]1CN(C(C)(C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000160630176 1424621089 /nfs/dbraw/zinc/62/10/89/1424621089.db2.gz CPRFWZTZCKQBOB-BETUJISGSA-N 1 0 388.434 3.200 20 30 GGEDRO [NH2+]=C(NCc1ccnc(-n2cccn2)c1)Nc1ccccc1OC(F)(F)F ZINC000160652547 1424623315 /nfs/dbraw/zinc/62/33/15/1424623315.db2.gz MPPNQCJQFBOJNR-UHFFFAOYSA-N 1 0 376.342 3.093 20 30 GGEDRO [NH2+]=C(NC[C@@H]1CCN(CC(F)(F)F)C1)Nc1ccccc1OC(F)(F)F ZINC000160670941 1424624612 /nfs/dbraw/zinc/62/46/12/1424624612.db2.gz NLBPMEJMEVKNTE-JTQLQIEISA-N 1 0 384.324 3.196 20 30 GGEDRO [NH2+]=C(NCc1nncn1-c1ccccc1)Nc1ccccc1OC(F)(F)F ZINC000160672366 1424625279 /nfs/dbraw/zinc/62/52/79/1424625279.db2.gz WVMWIULLWPYOMW-UHFFFAOYSA-N 1 0 376.342 3.093 20 30 GGEDRO [NH2+]=C(NC[C@H]1CCN(CC(F)(F)F)C1)Nc1ccccc1OC(F)(F)F ZINC000160671059 1424625331 /nfs/dbraw/zinc/62/53/31/1424625331.db2.gz NLBPMEJMEVKNTE-SNVBAGLBSA-N 1 0 384.324 3.196 20 30 GGEDRO Cn1ccnc1CC1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000160673103 1424625766 /nfs/dbraw/zinc/62/57/66/1424625766.db2.gz BSIYHZMMIWLCFA-UHFFFAOYSA-N 1 0 376.420 3.207 20 30 GGEDRO [NH2+]=C(NCCNC(=O)CC1CCCCC1)Nc1ccccc1OC(F)(F)F ZINC000160709582 1424629050 /nfs/dbraw/zinc/62/90/50/1424629050.db2.gz FEYQNOWSOSJHSW-UHFFFAOYSA-N 1 0 386.418 3.398 20 30 GGEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccnc2OCC(F)F)c1 ZINC000160767151 1424633612 /nfs/dbraw/zinc/63/36/12/1424633612.db2.gz BORQMBQRQQLOSF-UHFFFAOYSA-N 1 0 394.422 3.450 20 30 GGEDRO Cc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000160789783 1424635466 /nfs/dbraw/zinc/63/54/66/1424635466.db2.gz TVVQGIDCHSZPMQ-UHFFFAOYSA-N 1 0 382.512 3.497 20 30 GGEDRO Cc1ccc(C#N)c(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)n1 ZINC000161157928 1424663520 /nfs/dbraw/zinc/66/35/20/1424663520.db2.gz KDRMSGRAJMQZTG-UHFFFAOYSA-N 1 0 380.492 3.363 20 30 GGEDRO C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000161341118 1424679288 /nfs/dbraw/zinc/67/92/88/1424679288.db2.gz SQBMHMYUSPEDIE-GOSISDBHSA-N 1 0 393.462 3.039 20 30 GGEDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161656205 1424734132 /nfs/dbraw/zinc/73/41/32/1424734132.db2.gz IENRXPSYIGDFEP-OAHLLOKOSA-N 1 0 381.455 3.068 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H]([NH+](CC)CC)C2)c1=S ZINC000161659905 1424734967 /nfs/dbraw/zinc/73/49/67/1424734967.db2.gz BSHKBYWEMBFWFZ-SFHVURJKSA-N 1 0 386.569 3.426 20 30 GGEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000161664942 1424735678 /nfs/dbraw/zinc/73/56/78/1424735678.db2.gz UKXNRRSGMVUZIA-INIZCTEOSA-N 1 0 391.475 3.229 20 30 GGEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CN1Cc1ccccc1 ZINC000161671516 1424737080 /nfs/dbraw/zinc/73/70/80/1424737080.db2.gz ADOOAUQFEVFXCV-XMSQKQJNSA-N 1 0 375.520 3.175 20 30 GGEDRO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161684853 1424740429 /nfs/dbraw/zinc/74/04/29/1424740429.db2.gz MMGPZXMONULKIN-QGZVFWFLSA-N 1 0 380.492 3.298 20 30 GGEDRO COCCOc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161684731 1424740566 /nfs/dbraw/zinc/74/05/66/1424740566.db2.gz MMGPZXMONULKIN-KRWDZBQOSA-N 1 0 380.492 3.298 20 30 GGEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161722493 1424750414 /nfs/dbraw/zinc/75/04/14/1424750414.db2.gz JDKJJTNBKSBLCA-GCJKJVERSA-N 1 0 375.520 3.032 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000161727467 1424751574 /nfs/dbraw/zinc/75/15/74/1424751574.db2.gz DMPBJUMVWKEGAT-KRWDZBQOSA-N 1 0 381.476 3.438 20 30 GGEDRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(OC)c1 ZINC000161792162 1424764924 /nfs/dbraw/zinc/76/49/24/1424764924.db2.gz HGLJQSIFWRHMDY-UHFFFAOYSA-N 1 0 382.464 3.171 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180132366 1429751532 /nfs/dbraw/zinc/75/15/32/1429751532.db2.gz QLXYNFFMONOLJA-SFHVURJKSA-N 1 0 393.535 3.333 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000161960073 1424803508 /nfs/dbraw/zinc/80/35/08/1424803508.db2.gz GXOAEGPTRDSFOS-SFHVURJKSA-N 1 0 381.476 3.438 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000162057130 1424812310 /nfs/dbraw/zinc/81/23/10/1424812310.db2.gz QMALEFDGUMPEGT-UHFFFAOYSA-N 1 0 389.496 3.111 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000180141361 1429755726 /nfs/dbraw/zinc/75/57/26/1429755726.db2.gz MHMNFDHHXLRUPK-KRWDZBQOSA-N 1 0 380.467 3.087 20 30 GGEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000162562816 1424866448 /nfs/dbraw/zinc/86/64/48/1424866448.db2.gz LXTDRAMQMRPJRZ-OAHLLOKOSA-N 1 0 381.517 3.017 20 30 GGEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000162562900 1424866632 /nfs/dbraw/zinc/86/66/32/1424866632.db2.gz LXTDRAMQMRPJRZ-HNNXBMFYSA-N 1 0 381.517 3.017 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000162809545 1424892412 /nfs/dbraw/zinc/89/24/12/1424892412.db2.gz YLDREGUWPVGHBB-AEFFLSMTSA-N 1 0 393.528 3.114 20 30 GGEDRO C=C(C)COc1cc(CNc2ccc(N3CC[NH+](C)CC3)nc2)ccc1OC ZINC000162880201 1424899289 /nfs/dbraw/zinc/89/92/89/1424899289.db2.gz VFUGSEJHJAQIAC-UHFFFAOYSA-N 1 0 382.508 3.409 20 30 GGEDRO COCCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000162938870 1424909774 /nfs/dbraw/zinc/90/97/74/1424909774.db2.gz KARYVUJTNGCNJL-UHFFFAOYSA-N 1 0 396.491 3.179 20 30 GGEDRO C[NH+](C)CCCOc1ccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 ZINC000162978659 1424916654 /nfs/dbraw/zinc/91/66/54/1424916654.db2.gz BRCCTOIHPCDBTC-UHFFFAOYSA-N 1 0 395.503 3.363 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@@H]1CCOC1 ZINC000163095316 1424939242 /nfs/dbraw/zinc/93/92/42/1424939242.db2.gz ZFKJWVDDVJNZKT-IAGOWNOFSA-N 1 0 392.503 3.181 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2C)CC1 ZINC000163261858 1424968679 /nfs/dbraw/zinc/96/86/79/1424968679.db2.gz VUGOSXDRVTVEKQ-UHFFFAOYSA-N 1 0 383.414 3.109 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)CN2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000163921066 1425057988 /nfs/dbraw/zinc/05/79/88/1425057988.db2.gz PFJASWGCMFTJKB-OAQYLSRUSA-N 1 0 388.552 3.114 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000164073944 1425073881 /nfs/dbraw/zinc/07/38/81/1425073881.db2.gz KISOQSTZKHIABL-KXBFYZLASA-N 1 0 382.439 3.370 20 30 GGEDRO C[C@@H](CCNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@H+](C)Cc1ccccc1 ZINC000164129728 1425080143 /nfs/dbraw/zinc/08/01/43/1425080143.db2.gz IDHCIZPCFKXUKQ-INIZCTEOSA-N 1 0 389.496 3.027 20 30 GGEDRO CCCNC(=O)C1([NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CCCCC1 ZINC000164230583 1425089791 /nfs/dbraw/zinc/08/97/91/1425089791.db2.gz BKHUYUUGIBHJMK-UHFFFAOYSA-N 1 0 398.551 3.369 20 30 GGEDRO N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000164227836 1425090046 /nfs/dbraw/zinc/09/00/46/1425090046.db2.gz HOASXRJXIVWPEY-UHFFFAOYSA-N 1 0 394.475 3.146 20 30 GGEDRO CC(=O)Nc1cccc(OCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180167847 1429776925 /nfs/dbraw/zinc/77/69/25/1429776925.db2.gz JLRSCGDYIYSGGM-UHFFFAOYSA-N 1 0 389.459 3.086 20 30 GGEDRO C=CCc1cc(OC)cc(C[N@H+]2CCCN(c3nc(CC)ns3)CC2)c1O ZINC000164432865 1425111421 /nfs/dbraw/zinc/11/14/21/1425111421.db2.gz QXPBAGHUTBANHC-UHFFFAOYSA-N 1 0 388.537 3.256 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164664447 1425133581 /nfs/dbraw/zinc/13/35/81/1425133581.db2.gz DNTRVTBZBFAZCO-RTBURBONSA-N 1 0 398.580 3.426 20 30 GGEDRO C=CCn1c(-c2ccccn2)nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164666682 1425133759 /nfs/dbraw/zinc/13/37/59/1425133759.db2.gz AFGFAAMUXPUMOO-AEFFLSMTSA-N 1 0 384.553 3.036 20 30 GGEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000165394075 1425177339 /nfs/dbraw/zinc/17/73/39/1425177339.db2.gz LGFJTYJAYNPVFR-UHFFFAOYSA-N 1 0 393.528 3.160 20 30 GGEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000165466846 1425181205 /nfs/dbraw/zinc/18/12/05/1425181205.db2.gz QCLOOSITHFFVEI-UHFFFAOYSA-N 1 0 389.496 3.027 20 30 GGEDRO N#Cc1cc(NCCCC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000165820929 1425198075 /nfs/dbraw/zinc/19/80/75/1425198075.db2.gz CRKDZSQARMVRBF-UHFFFAOYSA-N 1 0 379.464 3.481 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(OC(F)F)c(F)c3)CC2)nc1 ZINC000168234135 1425237166 /nfs/dbraw/zinc/23/71/66/1425237166.db2.gz AVAZUVMFYOJTHA-UHFFFAOYSA-N 1 0 376.382 3.452 20 30 GGEDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000170652716 1425278295 /nfs/dbraw/zinc/27/82/95/1425278295.db2.gz YDYXXVALKXJVOL-GOSISDBHSA-N 1 0 386.496 3.218 20 30 GGEDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000170652718 1425278422 /nfs/dbraw/zinc/27/84/22/1425278422.db2.gz YDYXXVALKXJVOL-SFHVURJKSA-N 1 0 386.496 3.218 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cc(F)cc2c1OCOC2)C(C)C ZINC000170681843 1425295605 /nfs/dbraw/zinc/29/56/05/1425295605.db2.gz JQOROQBRRLQWKU-IBGZPJMESA-N 1 0 391.487 3.190 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2F)CC1 ZINC000170849693 1425368993 /nfs/dbraw/zinc/36/89/93/1425368993.db2.gz JDYKNDHKFPMUDN-UHFFFAOYSA-N 1 0 380.467 3.409 20 30 GGEDRO [NH2+]=C(NCC[C@@H]1C(=O)Nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000170907353 1425387441 /nfs/dbraw/zinc/38/74/41/1425387441.db2.gz DRGKQDFDJLITMR-AWEZNQCLSA-N 1 0 378.354 3.438 20 30 GGEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC(=O)NCC(F)(F)F)cc1 ZINC000170907995 1425387589 /nfs/dbraw/zinc/38/75/89/1425387589.db2.gz MGYWQAWUAJNWGX-UHFFFAOYSA-N 1 0 378.398 3.231 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCCc2ccc(C(F)(F)F)cc2)cc1OC ZINC000170906053 1425387615 /nfs/dbraw/zinc/38/76/15/1425387615.db2.gz VBFYQPKYRYSFDX-UHFFFAOYSA-N 1 0 381.398 3.370 20 30 GGEDRO [NH2+]=C(NCC[C@H]1C(=O)Nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000170907356 1425387845 /nfs/dbraw/zinc/38/78/45/1425387845.db2.gz DRGKQDFDJLITMR-CQSZACIVSA-N 1 0 378.354 3.438 20 30 GGEDRO COc1cc(CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1OC ZINC000170909104 1425388420 /nfs/dbraw/zinc/38/84/20/1425388420.db2.gz IGXOEGHHXKSHIA-UHFFFAOYSA-N 1 0 384.436 3.070 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000170911426 1425388511 /nfs/dbraw/zinc/38/85/11/1425388511.db2.gz NHJUFECVWGWRPR-UHFFFAOYSA-N 1 0 397.397 3.249 20 30 GGEDRO C[C@H]1CN([C@@H](CNC(=[NH2+])Nc2ccccn2)c2c(F)cccc2Cl)CCO1 ZINC000170912661 1425388770 /nfs/dbraw/zinc/38/87/70/1425388770.db2.gz IJTZSKLNUBNJDQ-BBRMVZONSA-N 1 0 391.878 3.063 20 30 GGEDRO CN(C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1)C(=O)OC(C)(C)C ZINC000170918714 1425392992 /nfs/dbraw/zinc/39/29/92/1425392992.db2.gz WIVOEXIPTFRAFR-CQSZACIVSA-N 1 0 392.525 3.137 20 30 GGEDRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2NC1=O ZINC000171066435 1425465072 /nfs/dbraw/zinc/46/50/72/1425465072.db2.gz GXUCJDURFODLKK-HNNXBMFYSA-N 1 0 389.455 3.373 20 30 GGEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)nc1)C1CCCCC1 ZINC000171071860 1425468445 /nfs/dbraw/zinc/46/84/45/1425468445.db2.gz JWOSUDKELBIBQD-UHFFFAOYSA-N 1 0 398.532 3.196 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000171112997 1425489787 /nfs/dbraw/zinc/48/97/87/1425489787.db2.gz RMQINZAZAYROFX-KRWDZBQOSA-N 1 0 390.487 3.301 20 30 GGEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000171137681 1425501278 /nfs/dbraw/zinc/50/12/78/1425501278.db2.gz RCZPMYIZQCWVKM-UHFFFAOYSA-N 1 0 387.528 3.271 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000171225707 1425549512 /nfs/dbraw/zinc/54/95/12/1425549512.db2.gz PGQGNWAOKQZENB-KRWDZBQOSA-N 1 0 380.492 3.303 20 30 GGEDRO C[NH+](C)CCOc1cccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000171302301 1425605090 /nfs/dbraw/zinc/60/50/90/1425605090.db2.gz ZNAIJMDGDZNJSM-UHFFFAOYSA-N 1 0 392.503 3.373 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sc(-c2ncccn2)nc1C)C(C)C ZINC000171314422 1425612671 /nfs/dbraw/zinc/61/26/71/1425612671.db2.gz UYLNYEFUWQMDIP-MRXNPFEDSA-N 1 0 385.537 3.337 20 30 GGEDRO C#Cc1cccc(N(C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000171397409 1425661271 /nfs/dbraw/zinc/66/12/71/1425661271.db2.gz HVUNVNGGHIBQLG-UHFFFAOYSA-N 1 0 375.516 3.193 20 30 GGEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCCCCC#N)CC1 ZINC000171438150 1425678867 /nfs/dbraw/zinc/67/88/67/1425678867.db2.gz LJPQABKCYSFXML-INIZCTEOSA-N 1 0 375.492 3.022 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000171452433 1425684790 /nfs/dbraw/zinc/68/47/90/1425684790.db2.gz DRUTYZIHSVANDA-OAQYLSRUSA-N 1 0 375.472 3.448 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000171563493 1425737987 /nfs/dbraw/zinc/73/79/87/1425737987.db2.gz IAZDEMYHLOFPIA-CQSZACIVSA-N 1 0 378.881 3.194 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(CC)C(C)C)cc2)CC1 ZINC000171621237 1425761393 /nfs/dbraw/zinc/76/13/93/1425761393.db2.gz OOJXSXFZKIAEOI-UHFFFAOYSA-N 1 0 386.540 3.017 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC(C)(C)c3c2cccc3Cl)CC1 ZINC000171621147 1425761446 /nfs/dbraw/zinc/76/14/46/1425761446.db2.gz FGZZXTQURZUORF-UHFFFAOYSA-N 1 0 389.927 3.121 20 30 GGEDRO Cc1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000171631709 1425766054 /nfs/dbraw/zinc/76/60/54/1425766054.db2.gz GCRSCGHCMLASDB-CYBMUJFWSA-N 1 0 385.493 3.008 20 30 GGEDRO Cc1noc(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)n1 ZINC000171631986 1425766081 /nfs/dbraw/zinc/76/60/81/1425766081.db2.gz CEQISFFBYWQQRN-UHFFFAOYSA-N 1 0 385.493 3.008 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000171679957 1425787318 /nfs/dbraw/zinc/78/73/18/1425787318.db2.gz MPVWVEIBQACUTH-HOTGVXAUSA-N 1 0 390.503 3.211 20 30 GGEDRO CC1(C)CN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000171684025 1425788628 /nfs/dbraw/zinc/78/86/28/1425788628.db2.gz YWPANLQCNDJJQE-UHFFFAOYSA-N 1 0 392.503 3.395 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC([NH2+]C(C)C)CC2)c1C#N ZINC000171689580 1425790260 /nfs/dbraw/zinc/79/02/60/1425790260.db2.gz KAHYNITUNVRBLK-UHFFFAOYSA-N 1 0 393.535 3.367 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccnc2Oc2cccc(F)c2)CC1 ZINC000171710076 1425799743 /nfs/dbraw/zinc/79/97/43/1425799743.db2.gz NJOVGWCOUGODDX-UHFFFAOYSA-N 1 0 384.455 3.463 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nc(CCC)n(-c3ccccc3Cl)n2)CC1 ZINC000171716299 1425801122 /nfs/dbraw/zinc/80/11/22/1425801122.db2.gz LNRYFGHSYKYOBO-UHFFFAOYSA-N 1 0 387.915 3.253 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCCCc2cn(-c3ccccc3)nc2C)CC1 ZINC000171716562 1425801592 /nfs/dbraw/zinc/80/15/92/1425801592.db2.gz OCEFDZGWMDJJOY-UHFFFAOYSA-N 1 0 381.524 3.063 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000171718055 1425802051 /nfs/dbraw/zinc/80/20/51/1425802051.db2.gz XWOSXTQQCKZGLD-UHFFFAOYSA-N 1 0 386.927 3.452 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)CC1 ZINC000171719956 1425802840 /nfs/dbraw/zinc/80/28/40/1425802840.db2.gz DZRSGLKMPNPLMH-UHFFFAOYSA-N 1 0 399.564 3.249 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)CC1 ZINC000171722000 1425803359 /nfs/dbraw/zinc/80/33/59/1425803359.db2.gz IBGVGRLZNVCXOU-UHFFFAOYSA-N 1 0 399.564 3.132 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000171723250 1425803889 /nfs/dbraw/zinc/80/38/89/1425803889.db2.gz UDDGZHGVVXRSPY-UHFFFAOYSA-N 1 0 387.487 3.315 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 ZINC000171722950 1425803948 /nfs/dbraw/zinc/80/39/48/1425803948.db2.gz JHDWMXPUPFFCBY-UHFFFAOYSA-N 1 0 386.521 3.359 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)CC1 ZINC000171727539 1425804474 /nfs/dbraw/zinc/80/44/74/1425804474.db2.gz CWHMAMUBANEMAJ-UHFFFAOYSA-N 1 0 399.564 3.051 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CC1 ZINC000171729239 1425805230 /nfs/dbraw/zinc/80/52/30/1425805230.db2.gz STIMZYRSOXSWQC-UHFFFAOYSA-N 1 0 384.455 3.463 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000171730393 1425805669 /nfs/dbraw/zinc/80/56/69/1425805669.db2.gz DHRKVHDCOIOZKP-UHFFFAOYSA-N 1 0 392.499 3.453 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC[NH+](CC=C)CC2)cc1 ZINC000171737159 1425807369 /nfs/dbraw/zinc/80/73/69/1425807369.db2.gz MPCAAFPRYSBSAP-UHFFFAOYSA-N 1 0 382.508 3.273 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC000171738641 1425807496 /nfs/dbraw/zinc/80/74/96/1425807496.db2.gz JIMGHGYPFZXMIQ-SFHVURJKSA-N 1 0 381.879 3.212 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000171739298 1425808144 /nfs/dbraw/zinc/80/81/44/1425808144.db2.gz CVSNXXHFEMMAGU-MRXNPFEDSA-N 1 0 392.494 3.003 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)CC1 ZINC000171740384 1425808748 /nfs/dbraw/zinc/80/87/48/1425808748.db2.gz MGSUFTHJULPQCB-UHFFFAOYSA-N 1 0 384.524 3.475 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CCN(c2ccc(C)cn2)CC1)C(C)C ZINC000171980495 1425866488 /nfs/dbraw/zinc/86/64/88/1425866488.db2.gz MFGAVBVDCRKCFO-NRFANRHFSA-N 1 0 384.568 3.421 20 30 GGEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(OCC#N)cc2)c1 ZINC000172026912 1425877225 /nfs/dbraw/zinc/87/72/25/1425877225.db2.gz XUYYZRWHCGJRIF-UHFFFAOYSA-N 1 0 380.492 3.171 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OCC)[C@H](C)C1 ZINC000172112642 1425899385 /nfs/dbraw/zinc/89/93/85/1425899385.db2.gz MWEOGVSFJBRQOM-SJLPKXTDSA-N 1 0 388.512 3.215 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000172116243 1425901568 /nfs/dbraw/zinc/90/15/68/1425901568.db2.gz HKTUYIYVCQYJSR-UHFFFAOYSA-N 1 0 377.893 3.306 20 30 GGEDRO CCn1c2ccccc2c2cc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)ccc21 ZINC000172124507 1425905889 /nfs/dbraw/zinc/90/58/89/1425905889.db2.gz JXPYEGVQXCYLQY-FCQUAONHSA-N 1 0 388.471 3.430 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccnc(OC3CCC(C)CC3)c2)CC1 ZINC000172227294 1425955448 /nfs/dbraw/zinc/95/54/48/1425955448.db2.gz PRXFLUAAKLOCOL-UHFFFAOYSA-N 1 0 386.540 3.489 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)NCCC[NH+]2CCCCC2)ccc1OC ZINC000172240603 1425962155 /nfs/dbraw/zinc/96/21/55/1425962155.db2.gz PRWABAMLIGHZRO-SFHVURJKSA-N 1 0 388.512 3.051 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccc1OCC#N ZINC000172423818 1426038004 /nfs/dbraw/zinc/03/80/04/1426038004.db2.gz PSTYHLONXFLZTK-CSKARUKUSA-N 1 0 383.492 3.088 20 30 GGEDRO N#CCN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000172434184 1426042329 /nfs/dbraw/zinc/04/23/29/1426042329.db2.gz ZICBFCQSFPGVKV-FQEVSTJZSA-N 1 0 388.943 3.361 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172523053 1426070740 /nfs/dbraw/zinc/07/07/40/1426070740.db2.gz FOVQAEPWTXNGCV-HXUWFJFHSA-N 1 0 386.565 3.451 20 30 GGEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3cccc(CC#N)c3)cc2)CC1 ZINC000172547323 1426082257 /nfs/dbraw/zinc/08/22/57/1426082257.db2.gz SSABOQYPNIVPLN-UHFFFAOYSA-N 1 0 391.475 3.221 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172580703 1426097161 /nfs/dbraw/zinc/09/71/61/1426097161.db2.gz YQCJBMSACFEGBA-GOSISDBHSA-N 1 0 386.515 3.411 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)c(OC)c1 ZINC000172585081 1426099598 /nfs/dbraw/zinc/09/95/98/1426099598.db2.gz PMYONIWLRMYNLV-OAQYLSRUSA-N 1 0 388.552 3.114 20 30 GGEDRO CCCCCCCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000172648011 1426125777 /nfs/dbraw/zinc/12/57/77/1426125777.db2.gz WXIOCEWLIGCTLJ-UHFFFAOYSA-N 1 0 395.569 3.345 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000172674263 1426137477 /nfs/dbraw/zinc/13/74/77/1426137477.db2.gz YMBFIZUYKGHJIQ-KRWDZBQOSA-N 1 0 389.546 3.119 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000172693844 1426146335 /nfs/dbraw/zinc/14/63/35/1426146335.db2.gz CKZVBCSXIBJKLQ-KRWDZBQOSA-N 1 0 388.487 3.076 20 30 GGEDRO COCCC[N@H+](C)CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000173085216 1426336180 /nfs/dbraw/zinc/33/61/80/1426336180.db2.gz HUGAWPKNXPWEHE-UHFFFAOYSA-N 1 0 382.464 3.440 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)CC1 ZINC000173102303 1426342785 /nfs/dbraw/zinc/34/27/85/1426342785.db2.gz GWEAQDYABGFGRU-UHFFFAOYSA-N 1 0 390.434 3.448 20 30 GGEDRO C[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)C[NH+]1CCN(C)CC1 ZINC000173121937 1426351582 /nfs/dbraw/zinc/35/15/82/1426351582.db2.gz OXZNOJZVJASGAN-SJORKVTESA-N 1 0 389.569 3.086 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173198605 1426387749 /nfs/dbraw/zinc/38/77/49/1426387749.db2.gz IKLQBYJCOJRLDX-FUHWJXTLSA-N 1 0 394.560 3.020 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)CC1 ZINC000173197783 1426387776 /nfs/dbraw/zinc/38/77/76/1426387776.db2.gz WOGWPQVAPWYUOJ-JOCHJYFZSA-N 1 0 385.552 3.379 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173198623 1426387813 /nfs/dbraw/zinc/38/78/13/1426387813.db2.gz IKLQBYJCOJRLDX-SJLPKXTDSA-N 1 0 394.560 3.020 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000173222663 1426404938 /nfs/dbraw/zinc/40/49/38/1426404938.db2.gz BJGJFKJKFXPBIJ-FQEVSTJZSA-N 1 0 383.517 3.091 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000173223320 1426406664 /nfs/dbraw/zinc/40/66/64/1426406664.db2.gz KMWXPVBEMCJQRT-HXUWFJFHSA-N 1 0 383.517 3.091 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)CC1 ZINC000173271016 1426448981 /nfs/dbraw/zinc/44/89/81/1426448981.db2.gz VUIDXKYCMZLBEP-UHFFFAOYSA-N 1 0 393.915 3.080 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(OCCC(C)C)c2)CC1 ZINC000173273783 1426452348 /nfs/dbraw/zinc/45/23/48/1426452348.db2.gz UGXDXYPWFMBGIU-UHFFFAOYSA-N 1 0 387.524 3.125 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173284094 1426462515 /nfs/dbraw/zinc/46/25/15/1426462515.db2.gz MBLQWUAQKNMDQX-FQEVSTJZSA-N 1 0 396.535 3.094 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000173322975 1426505411 /nfs/dbraw/zinc/50/54/11/1426505411.db2.gz VAFFRVPHDAWCAK-APWZRJJASA-N 1 0 389.546 3.290 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(CCC#N)n1 ZINC000173353502 1426529724 /nfs/dbraw/zinc/52/97/24/1426529724.db2.gz XSIIPBGDTMKXIU-IBGZPJMESA-N 1 0 380.496 3.173 20 30 GGEDRO N#CCCn1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000173363071 1426535715 /nfs/dbraw/zinc/53/57/15/1426535715.db2.gz OFDLWDUPVSAIMM-UHFFFAOYSA-N 1 0 380.496 3.494 20 30 GGEDRO C=CCn1c(-c2cccnc2)nn(CN2CC[C@H](C[NH+](CC)CC)C2)c1=S ZINC000173428601 1426609490 /nfs/dbraw/zinc/60/94/90/1426609490.db2.gz XJYCQVUUAWXHTG-QGZVFWFLSA-N 1 0 386.569 3.283 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173592599 1426756804 /nfs/dbraw/zinc/75/68/04/1426756804.db2.gz JMUFTBSZBFZPNS-WOJBJXKFSA-N 1 0 398.551 3.138 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H](C[NH+]3CCCCC3)C1)CCC2 ZINC000173596055 1426761680 /nfs/dbraw/zinc/76/16/80/1426761680.db2.gz SYSBBMCILRVUBY-INIZCTEOSA-N 1 0 386.565 3.245 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CC[C@H](C[NH+]3CCCCC3)C1)CCC2 ZINC000173596071 1426762171 /nfs/dbraw/zinc/76/21/71/1426762171.db2.gz SYSBBMCILRVUBY-MRXNPFEDSA-N 1 0 386.565 3.245 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173598462 1426765463 /nfs/dbraw/zinc/76/54/63/1426765463.db2.gz HPIQKXSEOCMJQF-RBUKOAKNSA-N 1 0 375.582 3.459 20 30 GGEDRO CN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173704511 1426826787 /nfs/dbraw/zinc/82/67/87/1426826787.db2.gz FGSNMGVHLWNCCK-OAQYLSRUSA-N 1 0 377.488 3.254 20 30 GGEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nnc5ccccn54)C3)o2)cc1 ZINC000173776253 1426848211 /nfs/dbraw/zinc/84/82/11/1426848211.db2.gz NVUWOXRFXISEJU-KRWDZBQOSA-N 1 0 385.431 3.031 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000173797911 1426853827 /nfs/dbraw/zinc/85/38/27/1426853827.db2.gz NSROQRXBDPHVQX-SJLPKXTDSA-N 1 0 391.487 3.096 20 30 GGEDRO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](CCCSCC#N)CC3)n2)cc1 ZINC000173867222 1426875704 /nfs/dbraw/zinc/87/57/04/1426875704.db2.gz HGQJCRUTNDTJNB-KRWDZBQOSA-N 1 0 385.537 3.371 20 30 GGEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000173871217 1426877128 /nfs/dbraw/zinc/87/71/28/1426877128.db2.gz GKDCVZWFXWRDIJ-QZTJIDSGSA-N 1 0 383.521 3.288 20 30 GGEDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000173871190 1426877175 /nfs/dbraw/zinc/87/71/75/1426877175.db2.gz GKDCVZWFXWRDIJ-ZWKOTPCHSA-N 1 0 383.521 3.288 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000173882657 1426880660 /nfs/dbraw/zinc/88/06/60/1426880660.db2.gz KJRAOBHZSHZLAG-UHFFFAOYSA-N 1 0 377.492 3.034 20 30 GGEDRO C#CCCCNC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000173910546 1426888973 /nfs/dbraw/zinc/88/89/73/1426888973.db2.gz WZARROGAHLQSGJ-UHFFFAOYSA-N 1 0 390.531 3.221 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(CC)CCOc2ccc(Br)cc2)CC1 ZINC000173931912 1426897752 /nfs/dbraw/zinc/89/77/52/1426897752.db2.gz JWLWPJRZFLHQSF-UHFFFAOYSA-N 1 0 393.325 3.022 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)[NH+]2CCCC2)cc1 ZINC000173972172 1426917409 /nfs/dbraw/zinc/91/74/09/1426917409.db2.gz WTKXYDLWXHGPHK-OAQYLSRUSA-N 1 0 396.466 3.342 20 30 GGEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977219 1426921410 /nfs/dbraw/zinc/92/14/10/1426921410.db2.gz DWDXILPHXSGMJH-FPOVZHCZSA-N 1 0 382.552 3.171 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978664 1426922665 /nfs/dbraw/zinc/92/26/65/1426922665.db2.gz KKVUAEHRYWALKN-JTHBVZDNSA-N 1 0 388.515 3.117 20 30 GGEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173979521 1426923897 /nfs/dbraw/zinc/92/38/97/1426923897.db2.gz VQNKHCKJZJGRLQ-NQIIRXRSSA-N 1 0 376.504 3.339 20 30 GGEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173999123 1426934308 /nfs/dbraw/zinc/93/43/08/1426934308.db2.gz KORAOFBIXAFWFY-UHFFFAOYSA-N 1 0 386.446 3.466 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000174069612 1426985855 /nfs/dbraw/zinc/98/58/55/1426985855.db2.gz VKJUSWYQELKVLG-VGSWGCGISA-N 1 0 376.504 3.106 20 30 GGEDRO C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000174069598 1426985934 /nfs/dbraw/zinc/98/59/34/1426985934.db2.gz VKJUSWYQELKVLG-JTSKRJEESA-N 1 0 376.504 3.106 20 30 GGEDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174091379 1426996641 /nfs/dbraw/zinc/99/66/41/1426996641.db2.gz LUDBNNZFFDKFIL-UHFFFAOYSA-N 1 0 386.418 3.399 20 30 GGEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174098584 1427001589 /nfs/dbraw/zinc/00/15/89/1427001589.db2.gz MGOLYHLVJKQDRB-UHFFFAOYSA-N 1 0 397.445 3.067 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1C#N ZINC000174124078 1427011644 /nfs/dbraw/zinc/01/16/44/1427011644.db2.gz JKJDSFAVZBCAAD-GOSISDBHSA-N 1 0 392.503 3.405 20 30 GGEDRO CN(Cc1cccs1)C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000174129210 1427014279 /nfs/dbraw/zinc/01/42/79/1427014279.db2.gz VSBPRBWVWHFISL-UHFFFAOYSA-N 1 0 386.521 3.034 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(N2CCCNC2=O)c1)C(C)C ZINC000174182607 1427036433 /nfs/dbraw/zinc/03/64/33/1427036433.db2.gz FSMOVMUUITYKPC-HXUWFJFHSA-N 1 0 399.539 3.426 20 30 GGEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174186388 1427038757 /nfs/dbraw/zinc/03/87/57/1427038757.db2.gz SUZDTZWUVDOVFC-UHFFFAOYSA-N 1 0 387.528 3.223 20 30 GGEDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000174207569 1427051104 /nfs/dbraw/zinc/05/11/04/1427051104.db2.gz SDJRJEXEVOKYDA-QGZVFWFLSA-N 1 0 376.932 3.250 20 30 GGEDRO COc1ccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1C#N ZINC000174322242 1427101241 /nfs/dbraw/zinc/10/12/41/1427101241.db2.gz ICIGABCWLOGDJW-HXUWFJFHSA-N 1 0 385.895 3.383 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)o1 ZINC000174327557 1427103788 /nfs/dbraw/zinc/10/37/88/1427103788.db2.gz RZTBETZHGWXXRR-SFHVURJKSA-N 1 0 379.382 3.333 20 30 GGEDRO CCO[C@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000174332658 1427105460 /nfs/dbraw/zinc/10/54/60/1427105460.db2.gz HAIAUVPRIQLZAK-OAQYLSRUSA-N 1 0 386.540 3.227 20 30 GGEDRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C(=O)c1cccc(F)c1 ZINC000174350637 1427115199 /nfs/dbraw/zinc/11/51/99/1427115199.db2.gz FSKYZTQSKVZJKR-QGZVFWFLSA-N 1 0 395.478 3.497 20 30 GGEDRO CC(C)[NH+](CCCNC(=O)N1CCCN(c2ccccc2C#N)CC1)C(C)C ZINC000174351772 1427116007 /nfs/dbraw/zinc/11/60/07/1427116007.db2.gz DLJUENOMISKWMH-UHFFFAOYSA-N 1 0 385.556 3.289 20 30 GGEDRO COc1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1C#N ZINC000174356712 1427117254 /nfs/dbraw/zinc/11/72/54/1427117254.db2.gz AYOXMZGGOUHLNE-HXUWFJFHSA-N 1 0 385.895 3.383 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000174355972 1427117582 /nfs/dbraw/zinc/11/75/82/1427117582.db2.gz POMBHEJVMFFZGF-UHFFFAOYSA-N 1 0 388.515 3.285 20 30 GGEDRO COc1cc(C#N)ccc1OCCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400513 1427139400 /nfs/dbraw/zinc/13/94/00/1427139400.db2.gz CWONEFSBZQTJMU-OAQYLSRUSA-N 1 0 379.504 3.400 20 30 GGEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)CC1 ZINC000174401754 1427141309 /nfs/dbraw/zinc/14/13/09/1427141309.db2.gz MFGZEJVPXXPFNS-UHFFFAOYSA-N 1 0 380.467 3.158 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(OC)c(C#N)c1 ZINC000174432941 1427154042 /nfs/dbraw/zinc/15/40/42/1427154042.db2.gz JZILXGNHIGQUQR-UHFFFAOYSA-N 1 0 380.492 3.329 20 30 GGEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCOC1CCOCC1 ZINC000174462381 1427167736 /nfs/dbraw/zinc/16/77/36/1427167736.db2.gz OVHHKDIRDXKUCI-UHFFFAOYSA-N 1 0 382.298 3.136 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174524463 1427202624 /nfs/dbraw/zinc/20/26/24/1427202624.db2.gz UNQNNHFSYMPYBH-LJQANCHMSA-N 1 0 385.508 3.060 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1cccc(C#N)c1 ZINC000174537915 1427209671 /nfs/dbraw/zinc/20/96/71/1427209671.db2.gz GNUAXXXUKKKGOK-UHFFFAOYSA-N 1 0 393.491 3.030 20 30 GGEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)ccc1O ZINC000174539596 1427210900 /nfs/dbraw/zinc/21/09/00/1427210900.db2.gz IFFKARDWVUGFGG-UHFFFAOYSA-N 1 0 385.489 3.283 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCC(=O)N(C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000174574653 1427234730 /nfs/dbraw/zinc/23/47/30/1427234730.db2.gz JHBZFHHFSZKWGG-UHFFFAOYSA-N 1 0 376.504 3.037 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccccc1 ZINC000174578993 1427237773 /nfs/dbraw/zinc/23/77/73/1427237773.db2.gz XHQMBQNHISTTLB-FQEVSTJZSA-N 1 0 378.476 3.005 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1cc(C#N)ccc1F ZINC000174599168 1427250416 /nfs/dbraw/zinc/25/04/16/1427250416.db2.gz LYFHPVSITBRREI-UHFFFAOYSA-N 1 0 381.455 3.079 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000174653041 1427289973 /nfs/dbraw/zinc/28/99/73/1427289973.db2.gz UWXOFMKLYDBCMY-IBGZPJMESA-N 1 0 394.519 3.216 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000174682837 1427307441 /nfs/dbraw/zinc/30/74/41/1427307441.db2.gz BGJUOAFDJKQOJN-UHFFFAOYSA-N 1 0 393.535 3.171 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000174682595 1427307664 /nfs/dbraw/zinc/30/76/64/1427307664.db2.gz YIGKAWZKERRDBF-UHFFFAOYSA-N 1 0 376.932 3.276 20 30 GGEDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(COc3cccc(C#N)c3)c1)C2 ZINC000174690267 1427311656 /nfs/dbraw/zinc/31/16/56/1427311656.db2.gz ZVMLYELCPFYECR-LEWJYISDSA-N 1 0 375.472 3.446 20 30 GGEDRO COc1cccc(NC(=O)CC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000174710224 1427323884 /nfs/dbraw/zinc/32/38/84/1427323884.db2.gz TYCSWOIJYMSAGV-UHFFFAOYSA-N 1 0 392.503 3.103 20 30 GGEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174744336 1427344505 /nfs/dbraw/zinc/34/45/05/1427344505.db2.gz FGZCTTPFVVORAU-UHFFFAOYSA-N 1 0 392.503 3.345 20 30 GGEDRO C[C@@](CO)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000174791829 1427370471 /nfs/dbraw/zinc/37/04/71/1427370471.db2.gz LNGKYMMXKYCELC-FQEVSTJZSA-N 1 0 396.453 3.094 20 30 GGEDRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174794719 1427372909 /nfs/dbraw/zinc/37/29/09/1427372909.db2.gz FEHVWQNLTFSMPU-UHFFFAOYSA-N 1 0 398.429 3.144 20 30 GGEDRO COc1ccc(-c2noc(CN3CC[NH+](CCCC(C)(C)C#N)CC3)n2)cc1 ZINC000174814741 1427383217 /nfs/dbraw/zinc/38/32/17/1427383217.db2.gz VGRITMASLRMUTC-UHFFFAOYSA-N 1 0 383.496 3.193 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826776 1427389164 /nfs/dbraw/zinc/38/91/64/1427389164.db2.gz AXSCVRZAUUTZAX-UHFFFAOYSA-N 1 0 386.496 3.218 20 30 GGEDRO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174829626 1427390913 /nfs/dbraw/zinc/39/09/13/1427390913.db2.gz BINYNYBTZOSWND-UHFFFAOYSA-N 1 0 397.479 3.440 20 30 GGEDRO C=CCOc1ccccc1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174842447 1427400797 /nfs/dbraw/zinc/40/07/97/1427400797.db2.gz RBKUWCXQDYTTJA-UHFFFAOYSA-N 1 0 387.524 3.038 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCCC(C)(C)C#N)C(C)C)cc1 ZINC000174852997 1427408460 /nfs/dbraw/zinc/40/84/60/1427408460.db2.gz IQYABVFJKWPEET-IBGZPJMESA-N 1 0 375.513 3.425 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1C#N ZINC000174888145 1427429119 /nfs/dbraw/zinc/42/91/19/1427429119.db2.gz WEVZIHVIRBFENK-QGZVFWFLSA-N 1 0 390.487 3.147 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)ccc1OC ZINC000174896164 1427432856 /nfs/dbraw/zinc/43/28/56/1427432856.db2.gz NEDLOFKQVLHGTG-ZWKOTPCHSA-N 1 0 388.512 3.002 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)ccc1OC ZINC000174896198 1427433076 /nfs/dbraw/zinc/43/30/76/1427433076.db2.gz NEDLOFKQVLHGTG-QZTJIDSGSA-N 1 0 388.512 3.002 20 30 GGEDRO CCc1cc(N2CCC([NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)ncn1 ZINC000174935602 1427453694 /nfs/dbraw/zinc/45/36/94/1427453694.db2.gz YTBKNRSZVHPWFR-UHFFFAOYSA-N 1 0 378.524 3.147 20 30 GGEDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000174959940 1427467629 /nfs/dbraw/zinc/46/76/29/1427467629.db2.gz AAZZZJAHMBHRFU-UHFFFAOYSA-N 1 0 388.537 3.012 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)ccc1OC ZINC000174995382 1427486208 /nfs/dbraw/zinc/48/62/08/1427486208.db2.gz QJDCKURGWCGBLA-UHFFFAOYSA-N 1 0 389.517 3.485 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)ccc1OCC#N ZINC000175026233 1427507219 /nfs/dbraw/zinc/50/72/19/1427507219.db2.gz NRVMEECZZJDGPC-OIFJWEAHSA-N 1 0 383.492 3.084 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175156750 1427573033 /nfs/dbraw/zinc/57/30/33/1427573033.db2.gz LEJAOGTZSKDLTK-FQEVSTJZSA-N 1 0 393.487 3.230 20 30 GGEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000175207104 1427601414 /nfs/dbraw/zinc/60/14/14/1427601414.db2.gz VPXYYLGQCAYOLL-LJQANCHMSA-N 1 0 398.532 3.337 20 30 GGEDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000175266010 1427634730 /nfs/dbraw/zinc/63/47/30/1427634730.db2.gz BSNKDGZVWJLRNA-LAUBAEHRSA-N 1 0 388.471 3.158 20 30 GGEDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000175266028 1427634757 /nfs/dbraw/zinc/63/47/57/1427634757.db2.gz BSNKDGZVWJLRNA-UTKZUKDTSA-N 1 0 388.471 3.158 20 30 GGEDRO N#Cc1c[nH]c(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000175278256 1427642980 /nfs/dbraw/zinc/64/29/80/1427642980.db2.gz JXDKZIPGQJKEKD-UHFFFAOYSA-N 1 0 399.498 3.456 20 30 GGEDRO C#CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)cc1 ZINC000175303311 1427663430 /nfs/dbraw/zinc/66/34/30/1427663430.db2.gz YXBKFHYNPWFWEC-UHFFFAOYSA-N 1 0 393.487 3.101 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000175328714 1427682394 /nfs/dbraw/zinc/68/23/94/1427682394.db2.gz BZLIOUGVQZQQMK-LJQANCHMSA-N 1 0 385.552 3.136 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000175328736 1427682580 /nfs/dbraw/zinc/68/25/80/1427682580.db2.gz BZLIOUGVQZQQMK-IBGZPJMESA-N 1 0 385.552 3.136 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nccn2CCCc2ccccc2)CC1 ZINC000175417327 1427743540 /nfs/dbraw/zinc/74/35/40/1427743540.db2.gz PJFQWVPFCLSIFZ-UHFFFAOYSA-N 1 0 395.551 3.356 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175495538 1427788455 /nfs/dbraw/zinc/78/84/55/1427788455.db2.gz QKGIOIGMXGNVSR-WIYYLYMNSA-N 1 0 392.503 3.441 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000175511134 1427797741 /nfs/dbraw/zinc/79/77/41/1427797741.db2.gz UWNIFOOZLPZOJG-ROUUACIJSA-N 1 0 377.554 3.386 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1 ZINC000175577205 1427820189 /nfs/dbraw/zinc/82/01/89/1427820189.db2.gz JFHRROUTSNOOGS-HXUWFJFHSA-N 1 0 384.524 3.449 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(SCC#N)c1 ZINC000175614114 1427832003 /nfs/dbraw/zinc/83/20/03/1427832003.db2.gz UAUYVDQFVDUYKN-UHFFFAOYSA-N 1 0 378.501 3.378 20 30 GGEDRO N#Cc1ccc(SCC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000175652149 1427845452 /nfs/dbraw/zinc/84/54/52/1427845452.db2.gz ZLVDZGXGDAGLJL-UHFFFAOYSA-N 1 0 387.549 3.049 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175699429 1427862910 /nfs/dbraw/zinc/86/29/10/1427862910.db2.gz KWXSINYPCZXCKQ-INIZCTEOSA-N 1 0 388.537 3.267 20 30 GGEDRO C[NH+](C)CCn1c2cc(NC(=O)c3cccc(SCC#N)c3)ccc2oc1=O ZINC000175702560 1427864267 /nfs/dbraw/zinc/86/42/67/1427864267.db2.gz RWVKQCDCICXVAE-UHFFFAOYSA-N 1 0 396.472 3.024 20 30 GGEDRO C[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)N1CC[NH+](C)CC1 ZINC000175705374 1427865203 /nfs/dbraw/zinc/86/52/03/1427865203.db2.gz DPCDARQSYPPGHI-KRWDZBQOSA-N 1 0 394.544 3.075 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000175724105 1427870183 /nfs/dbraw/zinc/87/01/83/1427870183.db2.gz RBEJVEJJKVFGJK-UHFFFAOYSA-N 1 0 390.381 3.466 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)ccc2Oc2ccccc2)CC1 ZINC000175781077 1427890547 /nfs/dbraw/zinc/89/05/47/1427890547.db2.gz ZQZYFCWNRISLJL-UHFFFAOYSA-N 1 0 393.487 3.492 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175806315 1427900616 /nfs/dbraw/zinc/90/06/16/1427900616.db2.gz DPGLKORGJXOVPF-IRLDBZIGSA-N 1 0 389.536 3.205 20 30 GGEDRO CN(C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)C1(C#N)CCCCC1 ZINC000175814849 1427906334 /nfs/dbraw/zinc/90/63/34/1427906334.db2.gz SFCUDNLGZJEZJM-IRXDYDNUSA-N 1 0 375.538 3.321 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175837721 1427921201 /nfs/dbraw/zinc/92/12/01/1427921201.db2.gz QLLHBEXXOYPFEQ-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO C[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175844937 1427926490 /nfs/dbraw/zinc/92/64/90/1427926490.db2.gz XNHGMRBZGNFDAT-DYESRHJHSA-N 1 0 383.517 3.031 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1)C(C)C ZINC000175862159 1427938811 /nfs/dbraw/zinc/93/88/11/1427938811.db2.gz RFRWJQMFWKVQJJ-WGDIFIGCSA-N 1 0 381.517 3.383 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1)C(C)C ZINC000175862173 1427939276 /nfs/dbraw/zinc/93/92/76/1427939276.db2.gz RFRWJQMFWKVQJJ-MRDQGFSESA-N 1 0 381.517 3.383 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175865531 1427940722 /nfs/dbraw/zinc/94/07/22/1427940722.db2.gz CVROZJYFSWUBIQ-ROUUACIJSA-N 1 0 388.537 3.072 20 30 GGEDRO Cc1ccccc1Cc1noc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000175901486 1427960669 /nfs/dbraw/zinc/96/06/69/1427960669.db2.gz NYZNRJPOPPGUPZ-HZHRSRAPSA-N 1 0 392.459 3.356 20 30 GGEDRO CC(C)C[NH+]1CCC(NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000175914578 1427969632 /nfs/dbraw/zinc/96/96/32/1427969632.db2.gz UKAXFFOAFWEDKB-UHFFFAOYSA-N 1 0 381.442 3.477 20 30 GGEDRO N#Cc1ccc(F)c(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000175920410 1427972639 /nfs/dbraw/zinc/97/26/39/1427972639.db2.gz AJJGLKFTZUHUPI-UHFFFAOYSA-N 1 0 380.467 3.409 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000176055084 1428054702 /nfs/dbraw/zinc/05/47/02/1428054702.db2.gz NDMZRDOGCNRVML-UHFFFAOYSA-N 1 0 379.426 3.397 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OC)cc2OC2CCCC2)CC1 ZINC000176056398 1428055641 /nfs/dbraw/zinc/05/56/41/1428055641.db2.gz IWIIZXNAMWPTBS-UHFFFAOYSA-N 1 0 387.524 3.466 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176060150 1428058785 /nfs/dbraw/zinc/05/87/85/1428058785.db2.gz HCUCRHGFRZXSIG-UHFFFAOYSA-N 1 0 392.503 3.306 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176064203 1428062847 /nfs/dbraw/zinc/06/28/47/1428062847.db2.gz PGIJZGDGTLQDIQ-UHFFFAOYSA-N 1 0 383.467 3.349 20 30 GGEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000176097125 1428081187 /nfs/dbraw/zinc/08/11/87/1428081187.db2.gz IXGSGTNCPLAQEQ-UHFFFAOYSA-N 1 0 389.499 3.415 20 30 GGEDRO N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000176128262 1428101078 /nfs/dbraw/zinc/10/10/78/1428101078.db2.gz QZERJLIVMIQULL-INIZCTEOSA-N 1 0 386.496 3.470 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000176151551 1428120828 /nfs/dbraw/zinc/12/08/28/1428120828.db2.gz SPWKJYUIGDHZNL-ICSRJNTNSA-N 1 0 384.524 3.126 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000176151582 1428121072 /nfs/dbraw/zinc/12/10/72/1428121072.db2.gz SPWKJYUIGDHZNL-AZUAARDMSA-N 1 0 384.524 3.126 20 30 GGEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000176209988 1428169060 /nfs/dbraw/zinc/16/90/60/1428169060.db2.gz KKJSYGOKAYBMQF-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO Cn1cc(C[NH2+]CCc2nc3c(cccc3F)n2C)c(-c2ccc(C#N)cc2)n1 ZINC000180212734 1429803471 /nfs/dbraw/zinc/80/34/71/1429803471.db2.gz PTFLQJHTUPKRCQ-UHFFFAOYSA-N 1 0 388.450 3.317 20 30 GGEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)c1 ZINC000180241507 1429812439 /nfs/dbraw/zinc/81/24/39/1429812439.db2.gz JPLDBTACJSFKEA-UHFFFAOYSA-N 1 0 392.503 3.435 20 30 GGEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccc(C#N)cc1 ZINC000180277824 1429822121 /nfs/dbraw/zinc/82/21/21/1429822121.db2.gz LSXYAFWRWMVEOP-UHFFFAOYSA-N 1 0 377.492 3.401 20 30 GGEDRO C=CCOc1ccccc1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180338969 1429839637 /nfs/dbraw/zinc/83/96/37/1429839637.db2.gz ZCZPTMYROJTGSD-UHFFFAOYSA-N 1 0 380.492 3.362 20 30 GGEDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180361380 1429846495 /nfs/dbraw/zinc/84/64/95/1429846495.db2.gz IIIIZEBMJBQUNI-UHFFFAOYSA-N 1 0 394.500 3.042 20 30 GGEDRO N#Cc1cc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c[nH]1 ZINC000180386797 1429853373 /nfs/dbraw/zinc/85/33/73/1429853373.db2.gz OWOZAWORSQATMT-UHFFFAOYSA-N 1 0 399.498 3.456 20 30 GGEDRO N#CCc1cccc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000180393681 1429855359 /nfs/dbraw/zinc/85/53/59/1429855359.db2.gz PRPICOBZDFASPG-UHFFFAOYSA-N 1 0 377.488 3.200 20 30 GGEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180411583 1429861354 /nfs/dbraw/zinc/86/13/54/1429861354.db2.gz LOFZOIDVBJPUDY-IAGOWNOFSA-N 1 0 396.535 3.195 20 30 GGEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180411618 1429861566 /nfs/dbraw/zinc/86/15/66/1429861566.db2.gz LOFZOIDVBJPUDY-SJORKVTESA-N 1 0 396.535 3.195 20 30 GGEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccccc1OCC#N ZINC000180438217 1429869286 /nfs/dbraw/zinc/86/92/86/1429869286.db2.gz DEODTBAMKUOEEN-UHFFFAOYSA-N 1 0 378.476 3.363 20 30 GGEDRO C=CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000180486320 1429880813 /nfs/dbraw/zinc/88/08/13/1429880813.db2.gz QIUVURGPKGCIAL-NRFANRHFSA-N 1 0 380.488 3.138 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c(OC)c1 ZINC000180524288 1429889326 /nfs/dbraw/zinc/88/93/26/1429889326.db2.gz PCXBPRRHDILIKF-OALUTQOASA-N 1 0 385.508 3.340 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180538705 1429893233 /nfs/dbraw/zinc/89/32/33/1429893233.db2.gz IOWZYTHBUAKQDW-ZWKOTPCHSA-N 1 0 381.879 3.259 20 30 GGEDRO C[C@H](CCN(C)Cc1ccc(-c2nn[n-]n2)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000820242469 1429901468 /nfs/dbraw/zinc/90/14/68/1429901468.db2.gz NGHICIDYQRKEOH-QGZVFWFLSA-N 1 0 389.507 3.081 20 30 GGEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)ccc1OC ZINC000180656584 1429960229 /nfs/dbraw/zinc/96/02/29/1429960229.db2.gz DNBKHVUFHCQORR-RXVVDRJESA-N 1 0 385.508 3.329 20 30 GGEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)ccc1OC ZINC000180656608 1429960390 /nfs/dbraw/zinc/96/03/90/1429960390.db2.gz DNBKHVUFHCQORR-NQIIRXRSSA-N 1 0 385.508 3.329 20 30 GGEDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000180705759 1429989356 /nfs/dbraw/zinc/98/93/56/1429989356.db2.gz XJMQWDXSBRXUOP-INIZCTEOSA-N 1 0 389.459 3.432 20 30 GGEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180719820 1430000018 /nfs/dbraw/zinc/00/00/18/1430000018.db2.gz YJXBTQSDLHRIGD-LJQANCHMSA-N 1 0 395.507 3.003 20 30 GGEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccccc1OCc1ccccc1 ZINC000180873561 1430080559 /nfs/dbraw/zinc/08/05/59/1430080559.db2.gz JVCYVRQVHOEUOX-ANZZGNCFSA-N 1 0 391.471 3.443 20 30 GGEDRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180877025 1430082905 /nfs/dbraw/zinc/08/29/05/1430082905.db2.gz XURDLYXBDOGQDS-DIGCTUSJSA-N 1 0 396.516 3.219 20 30 GGEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(OCc2ccccc2)c1 ZINC000180878956 1430084728 /nfs/dbraw/zinc/08/47/28/1430084728.db2.gz PSJXEOXQOXIQKM-LBNMDVIHSA-N 1 0 391.471 3.443 20 30 GGEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Cl)ccc1OC(F)F ZINC000180880842 1430086102 /nfs/dbraw/zinc/08/61/02/1430086102.db2.gz UYEZKISKXYBAPF-GLTXTHCDSA-N 1 0 385.798 3.118 20 30 GGEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180880618 1430086272 /nfs/dbraw/zinc/08/62/72/1430086272.db2.gz XPEQGEJHRCZELU-UFVMTTLYSA-N 1 0 381.501 3.456 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180921845 1430116226 /nfs/dbraw/zinc/11/62/26/1430116226.db2.gz DZJPIIKTIVODGK-HTAPYJJXSA-N 1 0 378.472 3.159 20 30 GGEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000180936360 1430124075 /nfs/dbraw/zinc/12/40/75/1430124075.db2.gz GZJHCSJXGYQKTA-KRWDZBQOSA-N 1 0 389.565 3.077 20 30 GGEDRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000180967913 1430141672 /nfs/dbraw/zinc/14/16/72/1430141672.db2.gz KYJRRYKQGIEWER-QFIPXVFZSA-N 1 0 379.508 3.044 20 30 GGEDRO C=CCC[C@@H](CC)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000180968659 1430142186 /nfs/dbraw/zinc/14/21/86/1430142186.db2.gz KXIKYVYIXNQXGU-MRXNPFEDSA-N 1 0 396.553 3.191 20 30 GGEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000180972888 1430145010 /nfs/dbraw/zinc/14/50/10/1430145010.db2.gz RLPUBAHLZJLRPT-KRWDZBQOSA-N 1 0 386.540 3.017 20 30 GGEDRO N#Cc1cccc(OCCC[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000180988992 1430154655 /nfs/dbraw/zinc/15/46/55/1430154655.db2.gz VXJDHSMGIMWRII-UHFFFAOYSA-N 1 0 375.476 3.021 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000180994581 1430157066 /nfs/dbraw/zinc/15/70/66/1430157066.db2.gz MOAOFGXEAMHYLV-QFIPXVFZSA-N 1 0 379.504 3.226 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000180994601 1430157281 /nfs/dbraw/zinc/15/72/81/1430157281.db2.gz MOAOFGXEAMHYLV-JOCHJYFZSA-N 1 0 379.504 3.226 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000181186571 1430241857 /nfs/dbraw/zinc/24/18/57/1430241857.db2.gz PZBDFIYHGHIRSQ-QAPCUYQASA-N 1 0 388.899 3.316 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000181186532 1430241961 /nfs/dbraw/zinc/24/19/61/1430241961.db2.gz PZBDFIYHGHIRSQ-YJBOKZPZSA-N 1 0 388.899 3.316 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181191165 1430243274 /nfs/dbraw/zinc/24/32/74/1430243274.db2.gz IZPIKQYVYWXEQH-GHTZIAJQSA-N 1 0 384.501 3.089 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000181268434 1430259397 /nfs/dbraw/zinc/25/93/97/1430259397.db2.gz YAKSNEWHBIYOAY-HNNXBMFYSA-N 1 0 398.956 3.425 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181272627 1430260437 /nfs/dbraw/zinc/26/04/37/1430260437.db2.gz XTVUIKFLGYWPPK-JKSUJKDBSA-N 1 0 384.480 3.025 20 30 GGEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c(C#N)c1C ZINC000181288887 1430263926 /nfs/dbraw/zinc/26/39/26/1430263926.db2.gz QATDYHJKAQUIEA-ZDUSSCGKSA-N 1 0 398.488 3.483 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c(C#N)c1C ZINC000181312264 1430270395 /nfs/dbraw/zinc/27/03/95/1430270395.db2.gz GNKLDLLWQYFGNH-ZDUSSCGKSA-N 1 0 382.420 3.014 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000181324015 1430272788 /nfs/dbraw/zinc/27/27/88/1430272788.db2.gz UYIMNRVIMFOZCA-CYBMUJFWSA-N 1 0 398.850 3.458 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC000181329892 1430274620 /nfs/dbraw/zinc/27/46/20/1430274620.db2.gz ZMNHKEXSMDGNSB-OAHLLOKOSA-N 1 0 378.432 3.194 20 30 GGEDRO COC(=O)CCn1nc(C)c(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1C ZINC000181356890 1430281069 /nfs/dbraw/zinc/28/10/69/1430281069.db2.gz FLWPHWMSMUDPSX-UHFFFAOYSA-N 1 0 393.409 3.223 20 30 GGEDRO CC[NH+]1CCN(CCCNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181361486 1430281854 /nfs/dbraw/zinc/28/18/54/1430281854.db2.gz BWSFBIIYYLXISI-UHFFFAOYSA-N 1 0 392.503 3.108 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000181399862 1430289061 /nfs/dbraw/zinc/28/90/61/1430289061.db2.gz RSXZOSZFIWVMBJ-CVEARBPZSA-N 1 0 376.460 3.363 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1C#N ZINC000181399840 1430289172 /nfs/dbraw/zinc/28/91/72/1430289172.db2.gz RSXZOSZFIWVMBJ-HOTGVXAUSA-N 1 0 376.460 3.363 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181402381 1430289579 /nfs/dbraw/zinc/28/95/79/1430289579.db2.gz YSWGWINCXURXQN-VGSWGCGISA-N 1 0 383.467 3.452 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000181407412 1430290336 /nfs/dbraw/zinc/29/03/36/1430290336.db2.gz UDNDNHVLOXSISJ-CQSZACIVSA-N 1 0 382.489 3.426 20 30 GGEDRO C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000181410121 1430290830 /nfs/dbraw/zinc/29/08/30/1430290830.db2.gz LKOXOIBBTCMKLF-RTWAWAEBSA-N 1 0 399.583 3.370 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000181415807 1430292871 /nfs/dbraw/zinc/29/28/71/1430292871.db2.gz SUFMJBQMUIAHEN-QGZVFWFLSA-N 1 0 382.508 3.149 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000181420564 1430294193 /nfs/dbraw/zinc/29/41/93/1430294193.db2.gz QULQPYFMDRZEOI-MRXNPFEDSA-N 1 0 376.460 3.364 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000181421639 1430294665 /nfs/dbraw/zinc/29/46/65/1430294665.db2.gz JHJMIEOMYNPDRV-UHFFFAOYSA-N 1 0 388.515 3.439 20 30 GGEDRO C[C@H]1CN(C(C)(C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000181425284 1430296101 /nfs/dbraw/zinc/29/61/01/1430296101.db2.gz DLYLBTVRYXVPKM-OALUTQOASA-N 1 0 384.568 3.000 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(C(=O)c4ccco4)CC3)CC2)cc1 ZINC000181455153 1430303509 /nfs/dbraw/zinc/30/35/09/1430303509.db2.gz TWNAZHWEJARKDO-UHFFFAOYSA-N 1 0 392.503 3.010 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccnc(N4CCCC4)c3)CC2)cc1 ZINC000181458847 1430304150 /nfs/dbraw/zinc/30/41/50/1430304150.db2.gz MLXAGBLYQAZLDQ-UHFFFAOYSA-N 1 0 375.520 3.308 20 30 GGEDRO CCC(CC)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181460075 1430304429 /nfs/dbraw/zinc/30/44/29/1430304429.db2.gz YFZQIAVGCPIZDI-XMMPIXPASA-N 1 0 398.595 3.249 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 ZINC000181463278 1430305130 /nfs/dbraw/zinc/30/51/30/1430305130.db2.gz BCJUNHPSCLEMKA-UHFFFAOYSA-N 1 0 392.503 3.010 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCCC[C@@H]1O ZINC000181473608 1430307019 /nfs/dbraw/zinc/30/70/19/1430307019.db2.gz QKXHTSRSYJGIIX-YOEHRIQHSA-N 1 0 375.538 3.310 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181519067 1430313966 /nfs/dbraw/zinc/31/39/66/1430313966.db2.gz YKBLWXHFYSYTAC-HKUYNNGSSA-N 1 0 399.535 3.495 20 30 GGEDRO COc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1OC ZINC000181533256 1430316365 /nfs/dbraw/zinc/31/63/65/1430316365.db2.gz KEGWPOCGMZKFEG-UHFFFAOYSA-N 1 0 395.503 3.338 20 30 GGEDRO Cc1nccn1-c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000181540302 1430317668 /nfs/dbraw/zinc/31/76/68/1430317668.db2.gz DLLHGINQZWKBML-UHFFFAOYSA-N 1 0 386.503 3.202 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(OCC#N)cc1 ZINC000181577175 1430322672 /nfs/dbraw/zinc/32/26/72/1430322672.db2.gz IJCCYMPGTOJIIP-VGSWGCGISA-N 1 0 393.487 3.349 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181592612 1430325101 /nfs/dbraw/zinc/32/51/01/1430325101.db2.gz QWPBUMPFHFBRQV-VGSWGCGISA-N 1 0 383.467 3.452 20 30 GGEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000181606595 1430326871 /nfs/dbraw/zinc/32/68/71/1430326871.db2.gz NTNAYUUHBWRFTI-YJBOKZPZSA-N 1 0 396.457 3.048 20 30 GGEDRO C[C@@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181612582 1430327860 /nfs/dbraw/zinc/32/78/60/1430327860.db2.gz IFRKMRKJTCDELE-LJQANCHMSA-N 1 0 395.503 3.151 20 30 GGEDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC(=O)Nc1sccc1C#N ZINC000181666832 1430338143 /nfs/dbraw/zinc/33/81/43/1430338143.db2.gz QLSHHKMSZNZFTF-UHFFFAOYSA-N 1 0 398.410 3.419 20 30 GGEDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000181680888 1430340638 /nfs/dbraw/zinc/34/06/38/1430340638.db2.gz KADKGBBQKFKITD-UHFFFAOYSA-N 1 0 382.552 3.355 20 30 GGEDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181695228 1430342955 /nfs/dbraw/zinc/34/29/55/1430342955.db2.gz IKXHQWQJJZDMLH-UHFFFAOYSA-N 1 0 380.448 3.229 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000181784473 1430359333 /nfs/dbraw/zinc/35/93/33/1430359333.db2.gz JWQXSOXSKBRNKT-AAIMPIBUSA-N 1 0 379.504 3.123 20 30 GGEDRO C=CCOc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000181789601 1430360594 /nfs/dbraw/zinc/36/05/94/1430360594.db2.gz WJTYBUTXOIGKEX-HXUWFJFHSA-N 1 0 381.476 3.140 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000181959324 1430388444 /nfs/dbraw/zinc/38/84/44/1430388444.db2.gz FEZMFSVQVXQANI-FQEVSTJZSA-N 1 0 385.471 3.359 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CCNC(=O)CC3CCCCC3)CC2)cc1 ZINC000181958993 1430388614 /nfs/dbraw/zinc/38/86/14/1430388614.db2.gz DGDZFCHYSVTVSG-UHFFFAOYSA-N 1 0 382.552 3.199 20 30 GGEDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000181968266 1430389836 /nfs/dbraw/zinc/38/98/36/1430389836.db2.gz JUVDEVONMSUURW-HRAATJIYSA-N 1 0 379.460 3.049 20 30 GGEDRO C[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181978058 1430391201 /nfs/dbraw/zinc/39/12/01/1430391201.db2.gz AGWMLKIWGSWXOD-IBGZPJMESA-N 1 0 376.504 3.338 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(C#N)c1 ZINC000181991085 1430392919 /nfs/dbraw/zinc/39/29/19/1430392919.db2.gz WGWSRGZSROGDBQ-MRXNPFEDSA-N 1 0 382.895 3.211 20 30 GGEDRO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000181995718 1430393492 /nfs/dbraw/zinc/39/34/92/1430393492.db2.gz PQSIVFDKECQQBR-MBSDFSHPSA-N 1 0 388.515 3.306 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182019398 1430397784 /nfs/dbraw/zinc/39/77/84/1430397784.db2.gz WOLHCABNYQERCK-LAUBAEHRSA-N 1 0 378.476 3.086 20 30 GGEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000182043871 1430401255 /nfs/dbraw/zinc/40/12/55/1430401255.db2.gz KVWMYERBAWHZNO-QGZVFWFLSA-N 1 0 375.538 3.317 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CC(N)=O)C2CCCCC2)c1 ZINC000182065464 1430404612 /nfs/dbraw/zinc/40/46/12/1430404612.db2.gz JGQBQEAGBKGLAJ-RXVVDRJESA-N 1 0 398.551 3.353 20 30 GGEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000182095020 1430410671 /nfs/dbraw/zinc/41/06/71/1430410671.db2.gz PUEAIWPJSQHSKF-OAQYLSRUSA-N 1 0 398.551 3.416 20 30 GGEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000182095000 1430410759 /nfs/dbraw/zinc/41/07/59/1430410759.db2.gz PUEAIWPJSQHSKF-NRFANRHFSA-N 1 0 398.551 3.416 20 30 GGEDRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000182124204 1430415803 /nfs/dbraw/zinc/41/58/03/1430415803.db2.gz PLQNPPVCEQWGIS-YLJYHZDGSA-N 1 0 388.581 3.142 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H]1CCCO1 ZINC000182336184 1430450163 /nfs/dbraw/zinc/45/01/63/1430450163.db2.gz MILOYUNSLGNLBJ-VQTJNVASSA-N 1 0 380.492 3.452 20 30 GGEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000182349943 1430452105 /nfs/dbraw/zinc/45/21/05/1430452105.db2.gz KZMRLCVXYHJDAF-IBGZPJMESA-N 1 0 393.487 3.317 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CCCO1 ZINC000182352676 1430452475 /nfs/dbraw/zinc/45/24/75/1430452475.db2.gz DHTKTPWAJRCYRV-RTBURBONSA-N 1 0 384.480 3.104 20 30 GGEDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000182446574 1430469170 /nfs/dbraw/zinc/46/91/70/1430469170.db2.gz NZUJUYFVIPHACM-UHFFFAOYSA-N 1 0 393.487 3.269 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182558307 1430491781 /nfs/dbraw/zinc/49/17/81/1430491781.db2.gz AAKVFIYFGKWVNX-QMHKHESXSA-N 1 0 390.487 3.398 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC000182596260 1430499198 /nfs/dbraw/zinc/49/91/98/1430499198.db2.gz XMOJWBFLHXMBAK-UHFFFAOYSA-N 1 0 390.531 3.467 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccc(Cl)c1 ZINC000182594513 1430499376 /nfs/dbraw/zinc/49/93/76/1430499376.db2.gz QFGWGEUYRSSZQA-RBUKOAKNSA-N 1 0 376.932 3.073 20 30 GGEDRO CCCCCNC(=O)C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182653256 1430510852 /nfs/dbraw/zinc/51/08/52/1430510852.db2.gz KMIBDRSLJMIJSC-NRFANRHFSA-N 1 0 396.535 3.072 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3SCC(N)=O)CC2)cc1 ZINC000182654749 1430511126 /nfs/dbraw/zinc/51/11/26/1430511126.db2.gz FIYDFMJEYLTFJD-UHFFFAOYSA-N 1 0 380.517 3.212 20 30 GGEDRO CCOC(=O)C[C@@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000182656203 1430511471 /nfs/dbraw/zinc/51/14/71/1430511471.db2.gz ZNWSMVDLEHNLAL-CYBMUJFWSA-N 1 0 377.510 3.101 20 30 GGEDRO C[N@H+](CCCc1ccccc1)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000182678453 1430515767 /nfs/dbraw/zinc/51/57/67/1430515767.db2.gz JQEWBJYCGBASSX-HXUWFJFHSA-N 1 0 396.560 3.022 20 30 GGEDRO CC[N@H+](CCc1ccccc1)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000182684458 1430516649 /nfs/dbraw/zinc/51/66/49/1430516649.db2.gz WDHIVBDKGOSTDB-HXUWFJFHSA-N 1 0 396.560 3.022 20 30 GGEDRO CC1CCC([NH+]2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000182792914 1430541075 /nfs/dbraw/zinc/54/10/75/1430541075.db2.gz MRCSILALTVOKFE-ZNIKRAEXSA-N 1 0 380.536 3.250 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182809942 1430544329 /nfs/dbraw/zinc/54/43/29/1430544329.db2.gz LEUCJUACRHWMSE-INIZCTEOSA-N 1 0 391.397 3.439 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182810604 1430544356 /nfs/dbraw/zinc/54/43/56/1430544356.db2.gz UWOBXFYGCHKWEO-HNNXBMFYSA-N 1 0 391.397 3.439 20 30 GGEDRO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822860 1430547078 /nfs/dbraw/zinc/54/70/78/1430547078.db2.gz OXGXMXGTEZCULT-IEBWSBKVSA-N 1 0 396.535 3.436 20 30 GGEDRO N#CCc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000182880732 1430560852 /nfs/dbraw/zinc/56/08/52/1430560852.db2.gz AQZIUQOTHJUHHN-NRFANRHFSA-N 1 0 378.476 3.031 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182890888 1430563506 /nfs/dbraw/zinc/56/35/06/1430563506.db2.gz YESXBJMHVOSCER-GHTZIAJQSA-N 1 0 398.551 3.369 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](CO)c2ccccc2)c1C#N ZINC000182926007 1430573498 /nfs/dbraw/zinc/57/34/98/1430573498.db2.gz IVLCFCDVZIWUHA-NRFANRHFSA-N 1 0 388.471 3.228 20 30 GGEDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000183005389 1430590536 /nfs/dbraw/zinc/59/05/36/1430590536.db2.gz AXPNVHWICCZTFB-QRWLVFNGSA-N 1 0 394.450 3.282 20 30 GGEDRO CCNC(=O)COc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000183033037 1430597489 /nfs/dbraw/zinc/59/74/89/1430597489.db2.gz GVOLMQSNPDOHHN-UHFFFAOYSA-N 1 0 392.503 3.150 20 30 GGEDRO CC[C@H](C)Oc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000183065665 1430603317 /nfs/dbraw/zinc/60/33/17/1430603317.db2.gz ZSCPJVXZSNDKLM-KRWDZBQOSA-N 1 0 380.492 3.335 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183153898 1430631377 /nfs/dbraw/zinc/63/13/77/1430631377.db2.gz RZVWNCXWAFVEJW-UHFFFAOYSA-N 1 0 391.397 3.439 20 30 GGEDRO N#CCCn1cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c(-c2ccccc2)n1 ZINC000183271145 1430666329 /nfs/dbraw/zinc/66/63/29/1430666329.db2.gz BHDYQIBYVMNEAJ-UHFFFAOYSA-N 1 0 380.492 3.093 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2cnn(C)c2C)c1C#N ZINC000183390945 1430699263 /nfs/dbraw/zinc/69/92/63/1430699263.db2.gz GYESDHIWSXTIPF-OAHLLOKOSA-N 1 0 390.491 3.297 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000183565657 1430743245 /nfs/dbraw/zinc/74/32/45/1430743245.db2.gz QCUUFCPVZBGEJN-GOSISDBHSA-N 1 0 376.932 3.258 20 30 GGEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000183738737 1430784320 /nfs/dbraw/zinc/78/43/20/1430784320.db2.gz RTJVHHVOMLUFLY-HNNXBMFYSA-N 1 0 381.505 3.425 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000183810133 1430799032 /nfs/dbraw/zinc/79/90/32/1430799032.db2.gz GDRVPDQAXPEYHD-FQEVSTJZSA-N 1 0 399.539 3.023 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCC2(c3ccccc3OC)CCC2)cc1OC ZINC000183834304 1430802762 /nfs/dbraw/zinc/80/27/62/1430802762.db2.gz WBLBMTFHNYQCCK-UHFFFAOYSA-N 1 0 383.492 3.239 20 30 GGEDRO CC[N@H+](CCO)CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000183915705 1430812717 /nfs/dbraw/zinc/81/27/17/1430812717.db2.gz LBYPAOHVJWQPOS-UHFFFAOYSA-N 1 0 387.867 3.048 20 30 GGEDRO CC[N@H+](CCO)CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000183918487 1430813128 /nfs/dbraw/zinc/81/31/28/1430813128.db2.gz LUMWOXVLQVZIFZ-UHFFFAOYSA-N 1 0 387.867 3.048 20 30 GGEDRO Cc1csc([C@@H](C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000183920825 1430813730 /nfs/dbraw/zinc/81/37/30/1430813730.db2.gz GCATYIQNMJPSNY-INIZCTEOSA-N 1 0 397.548 3.344 20 30 GGEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183966141 1430819919 /nfs/dbraw/zinc/81/99/19/1430819919.db2.gz UPSCVGZBDXEANN-HNNXBMFYSA-N 1 0 398.438 3.299 20 30 GGEDRO CC[NH+]1CCN(c2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)CC1 ZINC000184272057 1430865728 /nfs/dbraw/zinc/86/57/28/1430865728.db2.gz FUDGTQIQPUNEDX-UHFFFAOYSA-N 1 0 392.503 3.496 20 30 GGEDRO CC[NH+]1CCN(c2cccc(NC(=O)CSc3ccc(C#N)cc3)c2)CC1 ZINC000184282598 1430867469 /nfs/dbraw/zinc/86/74/69/1430867469.db2.gz DLJSMKHZXVYVCC-UHFFFAOYSA-N 1 0 380.517 3.431 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000184294273 1430869447 /nfs/dbraw/zinc/86/94/47/1430869447.db2.gz QPJXUFWBVFTQDL-INIZCTEOSA-N 1 0 379.464 3.411 20 30 GGEDRO Cc1ccc([C@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)N2CCCC2)o1 ZINC000184298407 1430870216 /nfs/dbraw/zinc/87/02/16/1430870216.db2.gz YUWVBACFULVXSQ-INIZCTEOSA-N 1 0 393.896 3.229 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184299596 1430870518 /nfs/dbraw/zinc/87/05/18/1430870518.db2.gz OVXQHLVASWLVQN-OAHLLOKOSA-N 1 0 399.457 3.026 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1C[S@@](C)=O)C(C)C ZINC000184342473 1430875495 /nfs/dbraw/zinc/87/54/95/1430875495.db2.gz UONNWRQGTWPVGO-NIYFSFCBSA-N 1 0 377.554 3.385 20 30 GGEDRO C#CCNC(=O)c1ccc(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nc1 ZINC000184351100 1430876481 /nfs/dbraw/zinc/87/64/81/1430876481.db2.gz DGHJDBOMDCWFLC-KRWDZBQOSA-N 1 0 390.409 3.178 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000184605113 1430916898 /nfs/dbraw/zinc/91/68/98/1430916898.db2.gz UBGULJXGKJDASI-UHFFFAOYSA-N 1 0 386.496 3.066 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000184610220 1430918457 /nfs/dbraw/zinc/91/84/57/1430918457.db2.gz MJPHTZQXYXFQOD-HXUWFJFHSA-N 1 0 396.491 3.316 20 30 GGEDRO CCN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184610928 1430919176 /nfs/dbraw/zinc/91/91/76/1430919176.db2.gz WAHFJEWJETZLIT-OAQYLSRUSA-N 1 0 392.503 3.395 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000184619490 1430921489 /nfs/dbraw/zinc/92/14/89/1430921489.db2.gz DYRSTPXSBFSDQO-PXNSSMCTSA-N 1 0 398.507 3.064 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000184622852 1430921926 /nfs/dbraw/zinc/92/19/26/1430921926.db2.gz SBRRETGIQPIOMA-UHFFFAOYSA-N 1 0 396.491 3.179 20 30 GGEDRO CCO[C@@H]1C[C@H](NC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C12CCOCC2 ZINC000184643929 1430928539 /nfs/dbraw/zinc/92/85/39/1430928539.db2.gz OTWFDHOVDBPZBF-LSDHHAIUSA-N 1 0 387.402 3.286 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000184652839 1430931249 /nfs/dbraw/zinc/93/12/49/1430931249.db2.gz ZFBJEPMIXYKTLW-UZLBHIALSA-N 1 0 394.510 3.155 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000184706829 1430947697 /nfs/dbraw/zinc/94/76/97/1430947697.db2.gz XXKZUSAMYBZLKG-UHFFFAOYSA-N 1 0 389.805 3.064 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1sccc1C#N ZINC000184750179 1430965353 /nfs/dbraw/zinc/96/53/53/1430965353.db2.gz GFCCISTXLAOYBA-NYTJIUQPSA-N 1 0 382.533 3.304 20 30 GGEDRO Cc1nc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)ccc1C#N ZINC000184834907 1430997252 /nfs/dbraw/zinc/99/72/52/1430997252.db2.gz NFFJSYHUPPVYLQ-KRWDZBQOSA-N 1 0 376.382 3.313 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000184838513 1430999435 /nfs/dbraw/zinc/99/94/35/1430999435.db2.gz VUWHRLNUTXSFMM-KRWDZBQOSA-N 1 0 391.393 3.375 20 30 GGEDRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)Cc3ccc(C#N)cc3)c2)CC1 ZINC000184883900 1431012222 /nfs/dbraw/zinc/01/22/22/1431012222.db2.gz HMIXHYGAGDHDCS-UHFFFAOYSA-N 1 0 377.492 3.364 20 30 GGEDRO CC[NH+]1CCN(c2cccc(NC(=O)N(CCC#N)Cc3ccco3)c2)CC1 ZINC000184895710 1431015502 /nfs/dbraw/zinc/01/55/02/1431015502.db2.gz WATBLQOZDGAOLD-UHFFFAOYSA-N 1 0 381.480 3.369 20 30 GGEDRO CC[NH+]1CCN(c2cccc(NC(=O)N(C)Cc3cccc(C#N)c3)c2)CC1 ZINC000184923411 1431022346 /nfs/dbraw/zinc/02/23/46/1431022346.db2.gz ZDWMTQVIUATESM-UHFFFAOYSA-N 1 0 377.492 3.364 20 30 GGEDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000185145429 1431071895 /nfs/dbraw/zinc/07/18/95/1431071895.db2.gz QEMHUZUIAFNRAW-UHFFFAOYSA-N 1 0 396.579 3.351 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)C1CC1 ZINC000185296246 1431103389 /nfs/dbraw/zinc/10/33/89/1431103389.db2.gz NNMQVHBDSDQFLW-JOCHJYFZSA-N 1 0 377.488 3.158 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000185300639 1431105153 /nfs/dbraw/zinc/10/51/53/1431105153.db2.gz SOWBHFCZULIHIL-KRWDZBQOSA-N 1 0 384.501 3.089 20 30 GGEDRO CC[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000185332726 1431116957 /nfs/dbraw/zinc/11/69/57/1431116957.db2.gz WAVXEHNJBPMXCO-NRFANRHFSA-N 1 0 377.488 3.254 20 30 GGEDRO CC[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000185345884 1431121340 /nfs/dbraw/zinc/12/13/40/1431121340.db2.gz VEDLCYRMHUMVEO-NRFANRHFSA-N 1 0 377.488 3.254 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185412796 1431139624 /nfs/dbraw/zinc/13/96/24/1431139624.db2.gz YUHOCNBFKKEBCC-NRFANRHFSA-N 1 0 380.423 3.197 20 30 GGEDRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)c2ccc(F)cc2)cn1 ZINC000185447903 1431147733 /nfs/dbraw/zinc/14/77/33/1431147733.db2.gz HWNCYTSMSMCDLK-NRFANRHFSA-N 1 0 377.423 3.139 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000185475509 1431153508 /nfs/dbraw/zinc/15/35/08/1431153508.db2.gz KNGKOPSPZYDWFG-JXFKEZNVSA-N 1 0 393.478 3.336 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)c(OC)c1 ZINC000185506274 1431160199 /nfs/dbraw/zinc/16/01/99/1431160199.db2.gz CKUBRSKNFCUFQY-NRFANRHFSA-N 1 0 397.515 3.147 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000185643678 1431193672 /nfs/dbraw/zinc/19/36/72/1431193672.db2.gz QNYVLUMAOQQKGH-LLVKDONJSA-N 1 0 379.386 3.223 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000185647990 1431195179 /nfs/dbraw/zinc/19/51/79/1431195179.db2.gz QFHIRDRCGPOECA-NSHDSACASA-N 1 0 379.386 3.223 20 30 GGEDRO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185687809 1431206481 /nfs/dbraw/zinc/20/64/81/1431206481.db2.gz IKXPFPREJJVTAA-LRXVAGHRSA-N 1 0 380.536 3.296 20 30 GGEDRO C#CCOc1ccccc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000185761746 1431227284 /nfs/dbraw/zinc/22/72/84/1431227284.db2.gz VPRQYYGWUICYCD-UHFFFAOYSA-N 1 0 378.476 3.403 20 30 GGEDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H]1CCC[C@H](C#N)C1)CC2 ZINC000185825161 1431245125 /nfs/dbraw/zinc/24/51/25/1431245125.db2.gz UXMGGHIAHNMZHU-LPHOPBHVSA-N 1 0 385.508 3.041 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000185831481 1431246156 /nfs/dbraw/zinc/24/61/56/1431246156.db2.gz NEVVJDQKQRDLFU-HXUWFJFHSA-N 1 0 394.510 3.249 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccc(F)c(F)c1 ZINC000185837024 1431247353 /nfs/dbraw/zinc/24/73/53/1431247353.db2.gz PZRYHCWMIHUTMC-PXNSSMCTSA-N 1 0 392.494 3.003 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccc(F)c(F)c1 ZINC000185836966 1431247454 /nfs/dbraw/zinc/24/74/54/1431247454.db2.gz PZRYHCWMIHUTMC-YLJYHZDGSA-N 1 0 392.494 3.003 20 30 GGEDRO CO/N=C/c1ccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1 ZINC000185849223 1431251516 /nfs/dbraw/zinc/25/15/16/1431251516.db2.gz SEQNEAFOBRUIGW-HYARGMPZSA-N 1 0 382.464 3.118 20 30 GGEDRO COc1ccccc1C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000185884193 1431262470 /nfs/dbraw/zinc/26/24/70/1431262470.db2.gz BBXSVESWWDNKJA-FQEVSTJZSA-N 1 0 386.517 3.197 20 30 GGEDRO COC1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000185890673 1431265218 /nfs/dbraw/zinc/26/52/18/1431265218.db2.gz APQJFVARBKSLRR-UHFFFAOYSA-N 1 0 384.524 3.125 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NC[C@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000185954322 1431294699 /nfs/dbraw/zinc/29/46/99/1431294699.db2.gz HSIPMFHOZONRCH-OAHLLOKOSA-N 1 0 381.398 3.454 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000186039266 1431317344 /nfs/dbraw/zinc/31/73/44/1431317344.db2.gz FQLKMRXLPQKFBC-QGZVFWFLSA-N 1 0 384.501 3.089 20 30 GGEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000186100815 1431330465 /nfs/dbraw/zinc/33/04/65/1431330465.db2.gz AAFLDHXXTXYPAK-LJQANCHMSA-N 1 0 383.540 3.044 20 30 GGEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000186100968 1431330501 /nfs/dbraw/zinc/33/05/01/1431330501.db2.gz IELZBFJNQUYUPZ-GOSISDBHSA-N 1 0 384.524 3.376 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2C)C(C)C)cc1 ZINC000186224925 1431356677 /nfs/dbraw/zinc/35/66/77/1431356677.db2.gz BAGKAJPXPUCFEA-QFIPXVFZSA-N 1 0 395.503 3.475 20 30 GGEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000186365470 1431392622 /nfs/dbraw/zinc/39/26/22/1431392622.db2.gz HPFJMZXPCVFXGD-RBUKOAKNSA-N 1 0 396.453 3.356 20 30 GGEDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186370105 1431394005 /nfs/dbraw/zinc/39/40/05/1431394005.db2.gz BMKWRMFZYWZOEL-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000186478679 1431430865 /nfs/dbraw/zinc/43/08/65/1431430865.db2.gz UMIPYVUUZDVVSS-SBUREZEXSA-N 1 0 392.503 3.475 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(OC)c1 ZINC000186619866 1431471298 /nfs/dbraw/zinc/47/12/98/1431471298.db2.gz WUEWYFDZXRSFFU-HYBUGGRVSA-N 1 0 395.499 3.295 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCC[C@H]3CCCCO3)CC2)cc1 ZINC000186629075 1431473789 /nfs/dbraw/zinc/47/37/89/1431473789.db2.gz GKZFITBYZQHSDH-OAQYLSRUSA-N 1 0 384.524 3.125 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)CC1 ZINC000186688556 1431492820 /nfs/dbraw/zinc/49/28/20/1431492820.db2.gz LGSIBMCDOJXKSZ-UHFFFAOYSA-N 1 0 378.472 3.306 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cccc(F)c2C#N)c1 ZINC000186755085 1431508533 /nfs/dbraw/zinc/50/85/33/1431508533.db2.gz TZNMIVLIKFOPPB-UHFFFAOYSA-N 1 0 382.439 3.021 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186941495 1431572277 /nfs/dbraw/zinc/57/22/77/1431572277.db2.gz QCRRGHJHHRCUKI-QFIPXVFZSA-N 1 0 399.506 3.364 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)NCC(F)(F)F)cc1 ZINC000186965211 1431578704 /nfs/dbraw/zinc/57/87/04/1431578704.db2.gz QPMDMMQMQPZXQA-UHFFFAOYSA-O 1 0 386.419 3.232 20 30 GGEDRO COc1ccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccccc2)cn1 ZINC000186966432 1431579365 /nfs/dbraw/zinc/57/93/65/1431579365.db2.gz PWYXOJILEBKJAN-UHFFFAOYSA-O 1 0 383.453 3.033 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C)(CO)CC3)sc2C1 ZINC000186973307 1431580033 /nfs/dbraw/zinc/58/00/33/1431580033.db2.gz UJHKRLPRMSWOMH-AWEZNQCLSA-N 1 0 375.538 3.168 20 30 GGEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1cccc(CO)c1 ZINC000186978948 1431581401 /nfs/dbraw/zinc/58/14/01/1431581401.db2.gz BGKPNIKRWVKBQP-UHFFFAOYSA-O 1 0 393.479 3.462 20 30 GGEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000186981922 1431582038 /nfs/dbraw/zinc/58/20/38/1431582038.db2.gz ZQCPNVAUWSBKHK-QGZVFWFLSA-N 1 0 393.487 3.268 20 30 GGEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000186981940 1431582256 /nfs/dbraw/zinc/58/22/56/1431582256.db2.gz ZQCPNVAUWSBKHK-KRWDZBQOSA-N 1 0 393.487 3.268 20 30 GGEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000187064032 1431603525 /nfs/dbraw/zinc/60/35/25/1431603525.db2.gz CJHDBNFZFKEMMV-UHFFFAOYSA-N 1 0 390.959 3.128 20 30 GGEDRO Cc1cnc([C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000187080539 1431608263 /nfs/dbraw/zinc/60/82/63/1431608263.db2.gz RHMRREGEHLCQRA-HNNXBMFYSA-N 1 0 385.537 3.200 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)ccc1OC ZINC000187174796 1431637938 /nfs/dbraw/zinc/63/79/38/1431637938.db2.gz WPIXIDVKBWMNRR-QGZVFWFLSA-N 1 0 388.512 3.002 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)ccc1OC ZINC000187174776 1431638119 /nfs/dbraw/zinc/63/81/19/1431638119.db2.gz WPIXIDVKBWMNRR-KRWDZBQOSA-N 1 0 388.512 3.002 20 30 GGEDRO C=CCCN(OCc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000187191989 1431642221 /nfs/dbraw/zinc/64/22/21/1431642221.db2.gz SEULBJOYHMMWIE-HXUWFJFHSA-N 1 0 387.524 3.207 20 30 GGEDRO C#CCOc1ccccc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000187198971 1431644618 /nfs/dbraw/zinc/64/46/18/1431644618.db2.gz SFNZOCDWYLIDHC-UHFFFAOYSA-N 1 0 377.488 3.240 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187238658 1431661376 /nfs/dbraw/zinc/66/13/76/1431661376.db2.gz BMEQLXNFNUYQGB-JTSKRJEESA-N 1 0 381.524 3.154 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)CC1 ZINC000187299599 1431687047 /nfs/dbraw/zinc/68/70/47/1431687047.db2.gz GQIGASFVCXDAGH-UHFFFAOYSA-N 1 0 376.504 3.026 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC1(O)CCCCCC1 ZINC000187343737 1431703354 /nfs/dbraw/zinc/70/33/54/1431703354.db2.gz OJJUMFZQDIWZTC-KRWDZBQOSA-N 1 0 375.488 3.478 20 30 GGEDRO C=CCC[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000187376437 1431713396 /nfs/dbraw/zinc/71/33/96/1431713396.db2.gz TYDRBKCICZOZEN-VABKMULXSA-N 1 0 378.516 3.488 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000187401803 1431720054 /nfs/dbraw/zinc/72/00/54/1431720054.db2.gz AWVAWVDYWVDIPO-UHFFFAOYSA-N 1 0 394.475 3.165 20 30 GGEDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000187695170 1431801141 /nfs/dbraw/zinc/80/11/41/1431801141.db2.gz HMXVUZKFUBYEPW-GOSISDBHSA-N 1 0 398.551 3.369 20 30 GGEDRO C=C(C)[C@@H]([NH2+]C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187779964 1431811597 /nfs/dbraw/zinc/81/15/97/1431811597.db2.gz JTLWNYFFVIVSPY-WOJBJXKFSA-N 1 0 395.471 3.483 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CC1 ZINC000187824704 1431816790 /nfs/dbraw/zinc/81/67/90/1431816790.db2.gz DLCFVBDFUOGWQS-UHFFFAOYSA-N 1 0 382.508 3.148 20 30 GGEDRO C[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000187925834 1431828105 /nfs/dbraw/zinc/82/81/05/1431828105.db2.gz KREBYGXKEHKJRY-ROUUACIJSA-N 1 0 398.551 3.478 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000188001520 1431835301 /nfs/dbraw/zinc/83/53/01/1431835301.db2.gz NIXGUYFEOJJEKP-YWZLYKJASA-N 1 0 393.478 3.382 20 30 GGEDRO C#CCOc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000188034682 1431838298 /nfs/dbraw/zinc/83/82/98/1431838298.db2.gz WREQOHHEYZDHJL-FQEVSTJZSA-N 1 0 377.488 3.385 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000188041046 1431839239 /nfs/dbraw/zinc/83/92/39/1431839239.db2.gz RTIKQGIXNPKOKP-GOSISDBHSA-N 1 0 381.879 3.212 20 30 GGEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000188073984 1431842783 /nfs/dbraw/zinc/84/27/83/1431842783.db2.gz DMQXDLHCWDWLEN-QGZVFWFLSA-N 1 0 378.476 3.441 20 30 GGEDRO C#CCOc1ccccc1NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000188124978 1431849900 /nfs/dbraw/zinc/84/99/00/1431849900.db2.gz QGHBRLGORDRQRO-UHFFFAOYSA-N 1 0 387.524 3.301 20 30 GGEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nc2ccccc2c1=O ZINC000188218712 1431862087 /nfs/dbraw/zinc/86/20/87/1431862087.db2.gz XURPMZYJKMMZLO-UHFFFAOYSA-N 1 0 386.565 3.091 20 30 GGEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1ccncc1 ZINC000188228847 1431863368 /nfs/dbraw/zinc/86/33/68/1431863368.db2.gz DKTOBRWOWGSLRU-UHFFFAOYSA-N 1 0 386.569 3.034 20 30 GGEDRO C=CC[C@@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000188274339 1431868477 /nfs/dbraw/zinc/86/84/77/1431868477.db2.gz UUTTWTXTVBRASF-HSZRJFAPSA-N 1 0 377.532 3.410 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000188301612 1431870953 /nfs/dbraw/zinc/87/09/53/1431870953.db2.gz AWUHNUJOBQNSPT-PMACEKPBSA-N 1 0 394.510 3.153 20 30 GGEDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc1 ZINC000188344885 1431875394 /nfs/dbraw/zinc/87/53/94/1431875394.db2.gz FRNGVRBLHCTVPL-UHFFFAOYSA-N 1 0 388.475 3.420 20 30 GGEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[N@@H+]2CCCOCC2)cc1F ZINC000188363920 1431877142 /nfs/dbraw/zinc/87/71/42/1431877142.db2.gz NGECNCXAGGYFLJ-UHFFFAOYSA-N 1 0 398.438 3.333 20 30 GGEDRO C=CC[C@@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000188593202 1431898364 /nfs/dbraw/zinc/89/83/64/1431898364.db2.gz FLMAQKYVGKQQPJ-OAQYLSRUSA-N 1 0 399.579 3.289 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)c1cccc(F)c1 ZINC000188681710 1431931099 /nfs/dbraw/zinc/93/10/99/1431931099.db2.gz QYBKKJKCDHOQIE-KRWDZBQOSA-N 1 0 385.443 3.328 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000188707847 1431940420 /nfs/dbraw/zinc/94/04/20/1431940420.db2.gz RRBVMUFRHFAIFK-FUHWJXTLSA-N 1 0 383.496 3.245 20 30 GGEDRO C=CCN(CCOC)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000188711280 1431941561 /nfs/dbraw/zinc/94/15/61/1431941561.db2.gz YSYYXEJZIMJKNY-UHFFFAOYSA-N 1 0 379.932 3.396 20 30 GGEDRO CC(C)OCC[NH+]1CCC(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000188731697 1431948769 /nfs/dbraw/zinc/94/87/69/1431948769.db2.gz MBGVOSVLMFAYEF-UHFFFAOYSA-N 1 0 382.426 3.063 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)c1ccc(F)cc1 ZINC000188773554 1431969135 /nfs/dbraw/zinc/96/91/35/1431969135.db2.gz OYGQWDUVWRAEQZ-KRWDZBQOSA-N 1 0 385.443 3.328 20 30 GGEDRO N#Cc1cc(NC(=O)NCC[N@@H+]2CCCOCC2)ccc1Oc1ccccc1 ZINC000188889021 1432003801 /nfs/dbraw/zinc/00/38/01/1432003801.db2.gz CVJYOXVYHXUSHT-UHFFFAOYSA-N 1 0 380.448 3.194 20 30 GGEDRO CN(C)c1cccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000188918610 1432008392 /nfs/dbraw/zinc/00/83/92/1432008392.db2.gz LGWXUSGYMDERPD-UHFFFAOYSA-N 1 0 390.531 3.291 20 30 GGEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000189028976 1432029691 /nfs/dbraw/zinc/02/96/91/1432029691.db2.gz AEHSIZXJFMRZDL-KNQAVFIVSA-N 1 0 387.524 3.020 20 30 GGEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000189029000 1432029993 /nfs/dbraw/zinc/02/99/93/1432029993.db2.gz AEHSIZXJFMRZDL-DENIHFKCSA-N 1 0 387.524 3.020 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]CCN2CCc3ccccc3C2=O)ccc1OC ZINC000189054741 1432035460 /nfs/dbraw/zinc/03/54/60/1432035460.db2.gz VMEWJIKQVHTSLE-UHFFFAOYSA-N 1 0 380.488 3.438 20 30 GGEDRO C[C@H]1C[NH+](CCCCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000189063329 1432037826 /nfs/dbraw/zinc/03/78/26/1432037826.db2.gz VXPFIHXUSXEKIS-HOTGVXAUSA-N 1 0 382.426 3.063 20 30 GGEDRO C=CCC[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000189120161 1432048546 /nfs/dbraw/zinc/04/85/46/1432048546.db2.gz YDSWBDJQGDGGMR-NRFANRHFSA-N 1 0 378.520 3.200 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000189137217 1432050933 /nfs/dbraw/zinc/05/09/33/1432050933.db2.gz GFTBUEHZLLDFHA-KRWDZBQOSA-N 1 0 384.524 3.398 20 30 GGEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000189167713 1432056607 /nfs/dbraw/zinc/05/66/07/1432056607.db2.gz GEUCPOMQCCPMAX-NRFANRHFSA-N 1 0 375.513 3.004 20 30 GGEDRO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000189442684 1432113078 /nfs/dbraw/zinc/11/30/78/1432113078.db2.gz HIEWHOKLLYYXJD-UHFFFAOYSA-N 1 0 399.878 3.456 20 30 GGEDRO N#Cc1ccccc1Oc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1Cl ZINC000189446353 1432114358 /nfs/dbraw/zinc/11/43/58/1432114358.db2.gz KBKLKMMXPLFFOU-UHFFFAOYSA-N 1 0 399.878 3.456 20 30 GGEDRO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C1(C#N)CCCCC1 ZINC000189479299 1432127956 /nfs/dbraw/zinc/12/79/56/1432127956.db2.gz XDIFBSCHSXUGQG-IAGOWNOFSA-N 1 0 392.544 3.097 20 30 GGEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189478085 1432128258 /nfs/dbraw/zinc/12/82/58/1432128258.db2.gz CBNZUKCIRIRYLP-QGZVFWFLSA-N 1 0 393.491 3.108 20 30 GGEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000189485847 1432131270 /nfs/dbraw/zinc/13/12/70/1432131270.db2.gz WGZPPBMOQCRFSR-UHFFFAOYSA-N 1 0 382.464 3.002 20 30 GGEDRO C=CC[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000189486083 1432131833 /nfs/dbraw/zinc/13/18/33/1432131833.db2.gz HAZLFGCVZOLKGE-QFIPXVFZSA-N 1 0 397.563 3.187 20 30 GGEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000189522250 1432147066 /nfs/dbraw/zinc/14/70/66/1432147066.db2.gz SWRBICYPPCHCBV-QZTJIDSGSA-N 1 0 383.521 3.336 20 30 GGEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000189565123 1432160430 /nfs/dbraw/zinc/16/04/30/1432160430.db2.gz WQTILRHGWQWOJW-UWJYYQICSA-N 1 0 390.487 3.008 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000189565101 1432160511 /nfs/dbraw/zinc/16/05/11/1432160511.db2.gz WQTILRHGWQWOJW-UTKZUKDTSA-N 1 0 390.487 3.008 20 30 GGEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000189565057 1432160554 /nfs/dbraw/zinc/16/05/54/1432160554.db2.gz WQTILRHGWQWOJW-DYESRHJHSA-N 1 0 390.487 3.008 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000189564650 1432160932 /nfs/dbraw/zinc/16/09/32/1432160932.db2.gz QLWJHJJWFKQZAA-AVRDEDQJSA-N 1 0 389.499 3.118 20 30 GGEDRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000189683825 1432202999 /nfs/dbraw/zinc/20/29/99/1432202999.db2.gz ZEQSWTIYNHCODJ-HSZRJFAPSA-N 1 0 394.519 3.200 20 30 GGEDRO CC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000189689324 1432205117 /nfs/dbraw/zinc/20/51/17/1432205117.db2.gz JUDMXQWFKPHGMA-HXUWFJFHSA-N 1 0 375.538 3.454 20 30 GGEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000189807714 1432240404 /nfs/dbraw/zinc/24/04/04/1432240404.db2.gz FKTZMKINHOJXPJ-UHFFFAOYSA-N 1 0 394.475 3.089 20 30 GGEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000189821143 1432244827 /nfs/dbraw/zinc/24/48/27/1432244827.db2.gz IEASONLBFSMQMR-UHFFFAOYSA-N 1 0 394.475 3.089 20 30 GGEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189831209 1432247929 /nfs/dbraw/zinc/24/79/29/1432247929.db2.gz YIGWCLJAFJVYNQ-UHFFFAOYSA-N 1 0 394.475 3.089 20 30 GGEDRO CCOC(=O)c1ccc(N2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)CC2)nc1 ZINC000189941730 1432282373 /nfs/dbraw/zinc/28/23/73/1432282373.db2.gz NFJJUCVTLPZWQM-KRWDZBQOSA-N 1 0 378.476 3.403 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](CC(C)(C)O)C2CC2)c1C#N ZINC000189991180 1432300892 /nfs/dbraw/zinc/30/08/92/1432300892.db2.gz GOAPLDRNEJKACA-UHFFFAOYSA-N 1 0 394.519 3.199 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000190041440 1432309312 /nfs/dbraw/zinc/30/93/12/1432309312.db2.gz UVIJPORHXXGCLO-QFIPXVFZSA-N 1 0 389.499 3.418 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190144473 1432327531 /nfs/dbraw/zinc/32/75/31/1432327531.db2.gz BJFQHCDYDYEVTC-OAQYLSRUSA-N 1 0 377.488 3.274 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000190186727 1432336127 /nfs/dbraw/zinc/33/61/27/1432336127.db2.gz LHVWNECNSXUBCY-HOTGVXAUSA-N 1 0 390.553 3.247 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000190186707 1432336335 /nfs/dbraw/zinc/33/63/35/1432336335.db2.gz LHVWNECNSXUBCY-JKSUJKDBSA-N 1 0 390.553 3.247 20 30 GGEDRO C=CCC1(C(=O)N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)CCC1 ZINC000190239192 1432346710 /nfs/dbraw/zinc/34/67/10/1432346710.db2.gz NBKCJVXIZKWOBM-UHFFFAOYSA-N 1 0 377.573 3.206 20 30 GGEDRO CN(Cc1cccc(OCCCC#N)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190318187 1432360182 /nfs/dbraw/zinc/36/01/82/1432360182.db2.gz JSCLPBRRNAPSKC-DEOSSOPVSA-N 1 0 393.531 3.438 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccnn1-c1nc(C)cc(C)n1)C(C)C ZINC000190452118 1432384832 /nfs/dbraw/zinc/38/48/32/1432384832.db2.gz LBHBKJUTOOCVFL-GOSISDBHSA-N 1 0 397.527 3.099 20 30 GGEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190603550 1432417229 /nfs/dbraw/zinc/41/72/29/1432417229.db2.gz HGXRUOFXPIBFHX-FCHUYYIVSA-N 1 0 375.472 3.335 20 30 GGEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190603590 1432417497 /nfs/dbraw/zinc/41/74/97/1432417497.db2.gz HGXRUOFXPIBFHX-VXKWHMMOSA-N 1 0 375.472 3.335 20 30 GGEDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190610786 1432419528 /nfs/dbraw/zinc/41/95/28/1432419528.db2.gz ONAZCVLSMIPSGN-SOAGJPPSSA-N 1 0 397.519 3.149 20 30 GGEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190608872 1432419578 /nfs/dbraw/zinc/41/95/78/1432419578.db2.gz FKVIYZOMWJFQCG-WOJBJXKFSA-N 1 0 393.512 3.494 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000190618958 1432422785 /nfs/dbraw/zinc/42/27/85/1432422785.db2.gz STRKJBPLIMLEJV-FDDCHVKYSA-N 1 0 399.498 3.255 20 30 GGEDRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 ZINC000190622225 1432423130 /nfs/dbraw/zinc/42/31/30/1432423130.db2.gz JQRYAEGGVNUPLP-FUHWJXTLSA-N 1 0 380.517 3.345 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H](NC3CC[NH+](C4CCCCC4)CC3)C2=O)cc1 ZINC000190621032 1432423175 /nfs/dbraw/zinc/42/31/75/1432423175.db2.gz KSGMYXDLPXOAMJ-JOCHJYFZSA-N 1 0 380.536 3.046 20 30 GGEDRO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 ZINC000190622244 1432423372 /nfs/dbraw/zinc/42/33/72/1432423372.db2.gz JQRYAEGGVNUPLP-AEFFLSMTSA-N 1 0 380.517 3.345 20 30 GGEDRO COCc1cc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC ZINC000190624198 1432423735 /nfs/dbraw/zinc/42/37/35/1432423735.db2.gz OWHBSFUNTAVREK-IERDGZPVSA-N 1 0 393.487 3.165 20 30 GGEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000190630271 1432426284 /nfs/dbraw/zinc/42/62/84/1432426284.db2.gz AEXLQYXBSSKRCC-DNVCBOLYSA-N 1 0 378.432 3.227 20 30 GGEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190632793 1432426468 /nfs/dbraw/zinc/42/64/68/1432426468.db2.gz ISCOCNDXJZBJSJ-MGPUTAFESA-N 1 0 379.460 3.027 20 30 GGEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000190631911 1432426533 /nfs/dbraw/zinc/42/65/33/1432426533.db2.gz MDAHNUCBGZOVFD-MGPUTAFESA-N 1 0 379.460 3.027 20 30 GGEDRO Cc1cc(NC(=O)COc2ccccc2C#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190799516 1432484878 /nfs/dbraw/zinc/48/48/78/1432484878.db2.gz GEGVTGFYMDJFBI-UHFFFAOYSA-N 1 0 392.503 3.415 20 30 GGEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F ZINC000190837853 1432501412 /nfs/dbraw/zinc/50/14/12/1432501412.db2.gz XIJPGOGRGPISMX-IERDGZPVSA-N 1 0 395.478 3.275 20 30 GGEDRO CC1(C)OCc2cc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2O1 ZINC000190837959 1432501587 /nfs/dbraw/zinc/50/15/87/1432501587.db2.gz KFTZJWMDQGPPQA-FQEVSTJZSA-N 1 0 391.471 3.094 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]CCCCCOc3ccccc3)C2=O)cc1 ZINC000190837309 1432501965 /nfs/dbraw/zinc/50/19/65/1432501965.db2.gz JUPCYCJMZPRQNY-JOCHJYFZSA-N 1 0 377.488 3.498 20 30 GGEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccnc1 ZINC000191239829 1432600464 /nfs/dbraw/zinc/60/04/64/1432600464.db2.gz IQCDSFWRRANOIW-UHFFFAOYSA-N 1 0 398.532 3.371 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000191253641 1432607025 /nfs/dbraw/zinc/60/70/25/1432607025.db2.gz FXSALLFJYPXFSQ-UWJYYQICSA-N 1 0 395.503 3.388 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](CCc2ccccc2)Cc2cccnc2)cc1 ZINC000191355631 1432639878 /nfs/dbraw/zinc/63/98/78/1432639878.db2.gz CGGHKDMXILCEBI-HSZRJFAPSA-N 1 0 387.483 3.438 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000191394815 1432651698 /nfs/dbraw/zinc/65/16/98/1432651698.db2.gz HDLZXGQAVCEWGW-OAQYLSRUSA-N 1 0 392.503 3.415 20 30 GGEDRO Cn1cc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1C#N ZINC000191564967 1432684088 /nfs/dbraw/zinc/68/40/88/1432684088.db2.gz XHNOJOVBUMBODJ-SFHVURJKSA-N 1 0 390.409 3.196 20 30 GGEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000191593077 1432688093 /nfs/dbraw/zinc/68/80/93/1432688093.db2.gz JBFUAUNBQBJPPX-UHFFFAOYSA-N 1 0 394.437 3.208 20 30 GGEDRO COC(=O)[C@H](O)C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000191591092 1432688236 /nfs/dbraw/zinc/68/82/36/1432688236.db2.gz YJTDBTLVZLCHKG-JOCHJYFZSA-N 1 0 392.499 3.132 20 30 GGEDRO C=CCc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc(OC)c1O ZINC000191799691 1432728363 /nfs/dbraw/zinc/72/83/63/1432728363.db2.gz BYHOMJDNAZGZNV-FQEVSTJZSA-N 1 0 380.488 3.328 20 30 GGEDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(N(C)CCC#N)cc3)C2=O)cc1 ZINC000191806246 1432729379 /nfs/dbraw/zinc/72/93/79/1432729379.db2.gz RLOXHACREXIULR-QFIPXVFZSA-N 1 0 376.504 3.236 20 30 GGEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191910864 1432753552 /nfs/dbraw/zinc/75/35/52/1432753552.db2.gz CPYLFMPMKPNMSP-LJQANCHMSA-N 1 0 382.439 3.110 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C#N)c(F)c2)C(C)C)cc1 ZINC000192014463 1432779894 /nfs/dbraw/zinc/77/98/94/1432779894.db2.gz YXVASBUQYRFEIM-FQEVSTJZSA-N 1 0 399.466 3.306 20 30 GGEDRO O=C(NCC(F)(F)C(F)F)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000192020148 1432780623 /nfs/dbraw/zinc/78/06/23/1432780623.db2.gz NSASRSMSWLCGFQ-AWEZNQCLSA-N 1 0 386.311 3.458 20 30 GGEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192044007 1432785662 /nfs/dbraw/zinc/78/56/62/1432785662.db2.gz JDWHGOGWUIXFIM-RTBURBONSA-N 1 0 390.892 3.105 20 30 GGEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000192132498 1432803787 /nfs/dbraw/zinc/80/37/87/1432803787.db2.gz ZKINAWOAPGPZNY-PZJWPPBQSA-N 1 0 385.414 3.331 20 30 GGEDRO CN(C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C1(C#N)CCCCC1 ZINC000192139389 1432805330 /nfs/dbraw/zinc/80/53/30/1432805330.db2.gz MNEYMDLCHMNSKL-IEBWSBKVSA-N 1 0 377.435 3.069 20 30 GGEDRO NC(=NOCC1CCC2(CC1)OCCO2)c1cccc(C[NH+]2CCCCC2)c1 ZINC000192186494 1432813275 /nfs/dbraw/zinc/81/32/75/1432813275.db2.gz IROAFKGUMJLEBP-UHFFFAOYSA-N 1 0 387.524 3.243 20 30 GGEDRO NC(=NOCC1CCC2(CC1)OCCO2)c1ccccc1C[NH+]1CCCCC1 ZINC000192186606 1432813358 /nfs/dbraw/zinc/81/33/58/1432813358.db2.gz QGYJTVRSQJDPHM-UHFFFAOYSA-N 1 0 387.524 3.243 20 30 GGEDRO C=CCC[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000192199150 1432815137 /nfs/dbraw/zinc/81/51/37/1432815137.db2.gz JVPAHQOMDKAORG-JOCHJYFZSA-N 1 0 384.568 3.363 20 30 GGEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192206052 1432815921 /nfs/dbraw/zinc/81/59/21/1432815921.db2.gz PAGRHMZJWHMFCA-HNNXBMFYSA-N 1 0 387.480 3.430 20 30 GGEDRO N#CCSc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192220493 1432818967 /nfs/dbraw/zinc/81/89/67/1432818967.db2.gz GNTWJWNATGGRRX-FQEVSTJZSA-N 1 0 395.528 3.323 20 30 GGEDRO COc1ccc2oc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2c1 ZINC000192242596 1432821444 /nfs/dbraw/zinc/82/14/44/1432821444.db2.gz TXRFBKZXZHZVAQ-FQEVSTJZSA-N 1 0 375.428 3.204 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(OC(F)F)c(F)c3)C2=O)cc1 ZINC000192243060 1432821492 /nfs/dbraw/zinc/82/14/92/1432821492.db2.gz LHJKQCBIXYOVOU-KRWDZBQOSA-N 1 0 389.377 3.189 20 30 GGEDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000192244045 1432821708 /nfs/dbraw/zinc/82/17/08/1432821708.db2.gz DSWCYMPQWANKEM-FQEVSTJZSA-N 1 0 392.459 3.481 20 30 GGEDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000192245220 1432822150 /nfs/dbraw/zinc/82/21/50/1432822150.db2.gz HDCFUWYYJXVFGN-HXUWFJFHSA-N 1 0 393.487 3.246 20 30 GGEDRO C#CCCCC(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000192252735 1432823073 /nfs/dbraw/zinc/82/30/73/1432823073.db2.gz QNRRJAIDUSCYCJ-UHFFFAOYSA-N 1 0 376.504 3.188 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192357067 1432836131 /nfs/dbraw/zinc/83/61/31/1432836131.db2.gz VKRGTMWBQMNMKH-AUSIDOKSSA-N 1 0 379.504 3.358 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192357075 1432836318 /nfs/dbraw/zinc/83/63/18/1432836318.db2.gz VKRGTMWBQMNMKH-XXBNENTESA-N 1 0 379.504 3.358 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192358109 1432836502 /nfs/dbraw/zinc/83/65/02/1432836502.db2.gz NSZOHDWEUGNMBG-DEOSSOPVSA-N 1 0 392.547 3.417 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192358101 1432836574 /nfs/dbraw/zinc/83/65/74/1432836574.db2.gz NSZOHDWEUGNMBG-XMMPIXPASA-N 1 0 392.547 3.417 20 30 GGEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000192650308 1432871361 /nfs/dbraw/zinc/87/13/61/1432871361.db2.gz BKJJULMHVVWQLO-UHFFFAOYSA-N 1 0 389.499 3.014 20 30 GGEDRO CC(C)([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)NCC1CCCCC1 ZINC000192715607 1432879149 /nfs/dbraw/zinc/87/91/49/1432879149.db2.gz WJNXAFHWZSKRKU-HXUWFJFHSA-N 1 0 396.535 3.118 20 30 GGEDRO C[NH+](C)Cc1cccc(CNC(=O)NCCSCc2ccccc2C#N)c1 ZINC000192738746 1432882643 /nfs/dbraw/zinc/88/26/43/1432882643.db2.gz QHJPXKZKUSVRLH-UHFFFAOYSA-N 1 0 382.533 3.352 20 30 GGEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[NH+](CC(C)C)CC2)c1=S ZINC000192793766 1432892065 /nfs/dbraw/zinc/89/20/65/1432892065.db2.gz QAOUCLHSYKALRI-UHFFFAOYSA-N 1 0 385.581 3.422 20 30 GGEDRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000192843140 1432897813 /nfs/dbraw/zinc/89/78/13/1432897813.db2.gz AYLOFALODPELHT-UHFFFAOYSA-N 1 0 389.499 3.017 20 30 GGEDRO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000192869159 1432901248 /nfs/dbraw/zinc/90/12/48/1432901248.db2.gz KSVDJBVQALIBGG-LJQANCHMSA-N 1 0 398.551 3.259 20 30 GGEDRO N#CCOc1ccc(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000192881807 1432902687 /nfs/dbraw/zinc/90/26/87/1432902687.db2.gz YEKSCUUAJCLOBO-UHFFFAOYSA-N 1 0 379.460 3.480 20 30 GGEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCCCC1 ZINC000192963979 1432913975 /nfs/dbraw/zinc/91/39/75/1432913975.db2.gz CGLJHRDNXFKVMZ-HXUWFJFHSA-N 1 0 398.551 3.443 20 30 GGEDRO CC(C)NC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccccc1 ZINC000192983110 1432916997 /nfs/dbraw/zinc/91/69/97/1432916997.db2.gz FSIAOYQXCIAKOS-UHFFFAOYSA-O 1 0 382.509 3.038 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000192985256 1432917465 /nfs/dbraw/zinc/91/74/65/1432917465.db2.gz NJWPLWBXLOEQIC-KRWDZBQOSA-N 1 0 389.908 3.012 20 30 GGEDRO C[NH+](C)Cc1cccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000193003935 1432920565 /nfs/dbraw/zinc/92/05/65/1432920565.db2.gz GGYDYCRMWLLDNN-UHFFFAOYSA-N 1 0 381.455 3.113 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCO4)CC2)cc1 ZINC000193029017 1432924630 /nfs/dbraw/zinc/92/46/30/1432924630.db2.gz QOGCYSIDBFJFKU-UHFFFAOYSA-N 1 0 376.460 3.233 20 30 GGEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCC(C)CC1 ZINC000193035417 1432925418 /nfs/dbraw/zinc/92/54/18/1432925418.db2.gz YAPCXFZZHBWXLJ-HXUWFJFHSA-N 1 0 398.551 3.299 20 30 GGEDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 ZINC000193058833 1432929684 /nfs/dbraw/zinc/92/96/84/1432929684.db2.gz LBRBYGBHMYWDAQ-UHFFFAOYSA-N 1 0 384.524 3.197 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(N2CCOC2=O)c1)C(C)C ZINC000193059784 1432929977 /nfs/dbraw/zinc/92/99/77/1432929977.db2.gz RDEIXOSUPUTVRX-LJQANCHMSA-N 1 0 386.496 3.463 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000193068895 1432931502 /nfs/dbraw/zinc/93/15/02/1432931502.db2.gz UPIOMEQJQKUVFN-JOCHJYFZSA-N 1 0 391.519 3.083 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193088682 1432934486 /nfs/dbraw/zinc/93/44/86/1432934486.db2.gz UHGASTZFLGARDM-ROUUACIJSA-N 1 0 398.551 3.301 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+](C)C)cc1OC ZINC000193103625 1432936722 /nfs/dbraw/zinc/93/67/22/1432936722.db2.gz QTSQQSQMUDLSOO-LJQANCHMSA-N 1 0 396.491 3.020 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193146455 1432944479 /nfs/dbraw/zinc/94/44/79/1432944479.db2.gz HCNHWYDFLKZQTQ-FQEVSTJZSA-N 1 0 399.922 3.159 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000193192318 1432954722 /nfs/dbraw/zinc/95/47/22/1432954722.db2.gz KRMSTGXJBGDVGP-HNNXBMFYSA-N 1 0 392.525 3.231 20 30 GGEDRO C[C@@H]1CN(CC[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000193398889 1432991271 /nfs/dbraw/zinc/99/12/71/1432991271.db2.gz ATDITXRFLVTSJO-KDURUIRLSA-N 1 0 381.524 3.005 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000193508457 1433011150 /nfs/dbraw/zinc/01/11/50/1433011150.db2.gz IPIGCPWMERHZGS-CALCHBBNSA-N 1 0 378.476 3.218 20 30 GGEDRO C#CCN1C(=O)c2ccccc2NC12CC[NH+](CCc1ccc(F)cc1)CC2 ZINC000193511283 1433011774 /nfs/dbraw/zinc/01/17/74/1433011774.db2.gz ZIHRRMWSNCONSF-UHFFFAOYSA-N 1 0 377.463 3.361 20 30 GGEDRO CCCc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000193573227 1433021851 /nfs/dbraw/zinc/02/18/51/1433021851.db2.gz PSPZJBVKITVPSF-UHFFFAOYSA-N 1 0 392.503 3.040 20 30 GGEDRO CCCc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000193573256 1433021976 /nfs/dbraw/zinc/02/19/76/1433021976.db2.gz YUJLIBRILWWDAL-UHFFFAOYSA-N 1 0 392.503 3.040 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3cc[nH]n3)C1)CCCC2 ZINC000193581761 1433023243 /nfs/dbraw/zinc/02/32/43/1433023243.db2.gz NNVDBKFLXVNUQD-AWEZNQCLSA-N 1 0 383.521 3.430 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3cc[nH]n3)C1)CCCC2 ZINC000193581740 1433023259 /nfs/dbraw/zinc/02/32/59/1433023259.db2.gz NNVDBKFLXVNUQD-CQSZACIVSA-N 1 0 383.521 3.430 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000193650196 1433034090 /nfs/dbraw/zinc/03/40/90/1433034090.db2.gz QLMSYWBHWBMUKA-UHFFFAOYSA-N 1 0 395.419 3.083 20 30 GGEDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000193836298 1433069702 /nfs/dbraw/zinc/06/97/02/1433069702.db2.gz UKPDZZNHQDUGGJ-UHFFFAOYSA-N 1 0 383.540 3.043 20 30 GGEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193849709 1433072657 /nfs/dbraw/zinc/07/26/57/1433072657.db2.gz FGIHBOHJZXTPIY-QGZVFWFLSA-N 1 0 382.439 3.372 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193952192 1433091393 /nfs/dbraw/zinc/09/13/93/1433091393.db2.gz KHYULJOPQMFJFL-CALCHBBNSA-N 1 0 398.551 3.299 20 30 GGEDRO COc1cccc([C@H](CNC(=O)c2ccccc2OCC#N)[NH+]2CCCC2)c1 ZINC000194042826 1433106132 /nfs/dbraw/zinc/10/61/32/1433106132.db2.gz CZGFFDVXWHENEJ-FQEVSTJZSA-N 1 0 379.460 3.164 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1OCC#N)c1cccc(OC)c1 ZINC000194098186 1433117044 /nfs/dbraw/zinc/11/70/44/1433117044.db2.gz SPDIPBBRHGBTQU-FQEVSTJZSA-N 1 0 381.476 3.410 20 30 GGEDRO N#Cc1ccc(OCCC[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000194119103 1433121127 /nfs/dbraw/zinc/12/11/27/1433121127.db2.gz JGFPVLSSWSWCSX-UHFFFAOYSA-N 1 0 379.489 3.154 20 30 GGEDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)([NH+](C)C)C1 ZINC000194143847 1433125682 /nfs/dbraw/zinc/12/56/82/1433125682.db2.gz RWIUJRZUVPQIFH-OPAMFIHVSA-N 1 0 384.524 3.053 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccccc3OCC#N)cc2)C[C@H](C)O1 ZINC000194144833 1433125750 /nfs/dbraw/zinc/12/57/50/1433125750.db2.gz GROLVTOUGONCRJ-ROUUACIJSA-N 1 0 393.487 3.128 20 30 GGEDRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)([NH+](C)C)C1 ZINC000194143887 1433125827 /nfs/dbraw/zinc/12/58/27/1433125827.db2.gz RWIUJRZUVPQIFH-AOMKIAJQSA-N 1 0 384.524 3.053 20 30 GGEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194205343 1433138526 /nfs/dbraw/zinc/13/85/26/1433138526.db2.gz WWVXYWSCUMUKHZ-QFIPXVFZSA-N 1 0 392.503 3.137 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCSC(F)(F)F)CC2)cc1 ZINC000194545294 1433195311 /nfs/dbraw/zinc/19/53/11/1433195311.db2.gz QMXVYWFLPAFQDE-UHFFFAOYSA-N 1 0 386.443 3.029 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Cc3ccc(C#N)cc3)CC2)c1 ZINC000194856802 1433249545 /nfs/dbraw/zinc/24/95/45/1433249545.db2.gz RVAZIXBJCCAWIP-UHFFFAOYSA-N 1 0 390.531 3.128 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1O2 ZINC000194857601 1433250241 /nfs/dbraw/zinc/25/02/41/1433250241.db2.gz LYMNBQBIMWOMPQ-HXUWFJFHSA-N 1 0 375.472 3.205 20 30 GGEDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000194860100 1433250786 /nfs/dbraw/zinc/25/07/86/1433250786.db2.gz IEHPPIQSHIYIPH-QFIPXVFZSA-N 1 0 380.492 3.370 20 30 GGEDRO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194961327 1433273112 /nfs/dbraw/zinc/27/31/12/1433273112.db2.gz NSISRNGWIBSDKW-NRFANRHFSA-N 1 0 394.471 3.174 20 30 GGEDRO N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCCC[NH+]1CCCC1 ZINC000194969091 1433274432 /nfs/dbraw/zinc/27/44/32/1433274432.db2.gz ASDKSZHRPVIVJW-UHFFFAOYSA-N 1 0 381.505 3.366 20 30 GGEDRO COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000194970288 1433274498 /nfs/dbraw/zinc/27/44/98/1433274498.db2.gz UJBXWXRPUTXIDK-NHCUHLMSSA-N 1 0 375.472 3.335 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(CO)c1 ZINC000194971321 1433274773 /nfs/dbraw/zinc/27/47/73/1433274773.db2.gz FWVNWAGBOHEPPH-OAHLLOKOSA-O 1 0 383.537 3.282 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(N(C)C)cc1 ZINC000194972301 1433274814 /nfs/dbraw/zinc/27/48/14/1433274814.db2.gz UIZLDYDUIQOGSO-OAHLLOKOSA-O 1 0 386.541 3.376 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1cccc(CO)c1 ZINC000194973210 1433275190 /nfs/dbraw/zinc/27/51/90/1433275190.db2.gz ZYTAIRSDQJINTL-CYBMUJFWSA-O 1 0 377.917 3.447 20 30 GGEDRO Cc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)[nH]n2)o1 ZINC000195141865 1433298703 /nfs/dbraw/zinc/29/87/03/1433298703.db2.gz NCIBKGXLGLBDRN-UHFFFAOYSA-N 1 0 377.448 3.054 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000195465113 1433332982 /nfs/dbraw/zinc/33/29/82/1433332982.db2.gz NZKDSAWUEHKLBW-GHTZIAJQSA-N 1 0 388.552 3.028 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000195465108 1433333025 /nfs/dbraw/zinc/33/30/25/1433333025.db2.gz NZKDSAWUEHKLBW-WIYYLYMNSA-N 1 0 388.552 3.028 20 30 GGEDRO C=CCOc1ccc(/C=C\C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000212030769 1433358003 /nfs/dbraw/zinc/35/80/03/1433358003.db2.gz XJUJLBNRCXCEQQ-ALCCZGGFSA-N 1 0 379.460 3.017 20 30 GGEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC000229351059 1433371722 /nfs/dbraw/zinc/37/17/22/1433371722.db2.gz GHYZKCIWDWKHJK-DLBZAZTESA-N 1 0 392.569 3.168 20 30 GGEDRO C=CCNC(=O)Nc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000236665301 1433375567 /nfs/dbraw/zinc/37/55/67/1433375567.db2.gz MAAOEXGHJPDPPG-UHFFFAOYSA-N 1 0 378.476 3.254 20 30 GGEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N(C)C)cc1OC ZINC000237263688 1433394740 /nfs/dbraw/zinc/39/47/40/1433394740.db2.gz PYOUYOFSPOGPNV-JXFKEZNVSA-N 1 0 383.492 3.387 20 30 GGEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N(C)C)cc1OC ZINC000237263743 1433394961 /nfs/dbraw/zinc/39/49/61/1433394961.db2.gz PYOUYOFSPOGPNV-UZLBHIALSA-N 1 0 383.492 3.387 20 30 GGEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000237308178 1433396651 /nfs/dbraw/zinc/39/66/51/1433396651.db2.gz FQEDLLHUKMBIMD-FQEVSTJZSA-N 1 0 380.488 3.080 20 30 GGEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000237367978 1433399279 /nfs/dbraw/zinc/39/92/79/1433399279.db2.gz ZZGLANVBJMDWCU-MRXNPFEDSA-N 1 0 387.505 3.128 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)N2CCN(c3ccccc3)CC2)cc1 ZINC000237371058 1433399327 /nfs/dbraw/zinc/39/93/27/1433399327.db2.gz GYAIHTFLXAZRMU-VQTJNVASSA-N 1 0 378.520 3.278 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000237487432 1433405785 /nfs/dbraw/zinc/40/57/85/1433405785.db2.gz AABGEEVIMSUAID-SFHVURJKSA-N 1 0 382.483 3.028 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000237495447 1433406283 /nfs/dbraw/zinc/40/62/83/1433406283.db2.gz BICGEXRFLPPUTP-KRWDZBQOSA-N 1 0 399.516 3.052 20 30 GGEDRO Cc1cccc([C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N2CCOCC2)c1 ZINC000237596384 1433411317 /nfs/dbraw/zinc/41/13/17/1433411317.db2.gz CKMMPTPVQUUUDX-XXBNENTESA-N 1 0 379.504 3.449 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000237593627 1433411350 /nfs/dbraw/zinc/41/13/50/1433411350.db2.gz AABGEEVIMSUAID-GOSISDBHSA-N 1 0 382.483 3.028 20 30 GGEDRO Cc1cccc([C@@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N2CCOCC2)c1 ZINC000237595174 1433411359 /nfs/dbraw/zinc/41/13/59/1433411359.db2.gz CKMMPTPVQUUUDX-AUSIDOKSSA-N 1 0 379.504 3.449 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000237599749 1433411604 /nfs/dbraw/zinc/41/16/04/1433411604.db2.gz BICGEXRFLPPUTP-QGZVFWFLSA-N 1 0 399.516 3.052 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000237596419 1433411797 /nfs/dbraw/zinc/41/17/97/1433411797.db2.gz VNBDBIPDBUUOON-VGSWGCGISA-N 1 0 383.467 3.280 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000237704110 1433418317 /nfs/dbraw/zinc/41/83/17/1433418317.db2.gz QXVZMVDDJRHOBE-HOTGVXAUSA-N 1 0 387.505 3.079 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000245460548 1433472357 /nfs/dbraw/zinc/47/23/57/1433472357.db2.gz VWLZVPWFZMXISU-VQTJNVASSA-N 1 0 382.552 3.314 20 30 GGEDRO N#C[C@@H](NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000245461604 1433473107 /nfs/dbraw/zinc/47/31/07/1433473107.db2.gz NEXNGEWVHLDIIS-FXAWDEMLSA-N 1 0 383.879 3.312 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245467654 1433473797 /nfs/dbraw/zinc/47/37/97/1433473797.db2.gz ZONOYGMTLNHHNT-SFTDATJTSA-N 1 0 382.552 3.438 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1C#N ZINC000245542863 1433483049 /nfs/dbraw/zinc/48/30/49/1433483049.db2.gz KJGYREBNTPAKOC-FXAWDEMLSA-N 1 0 398.507 3.039 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245556128 1433484666 /nfs/dbraw/zinc/48/46/66/1433484666.db2.gz UEVLCDIJQXZIIB-SOLBZPMBSA-N 1 0 375.538 3.360 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245556126 1433484742 /nfs/dbraw/zinc/48/47/42/1433484742.db2.gz UEVLCDIJQXZIIB-JFIYKMOQSA-N 1 0 375.538 3.360 20 30 GGEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000245563780 1433485889 /nfs/dbraw/zinc/48/58/89/1433485889.db2.gz QBNQQCPCNQPJMS-WSCVDHEUSA-N 1 0 399.539 3.063 20 30 GGEDRO C=C[C@H](CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccccc1 ZINC000245572916 1433486742 /nfs/dbraw/zinc/48/67/42/1433486742.db2.gz CQWLEDNVSAXDFE-PUHATCMVSA-N 1 0 378.516 3.346 20 30 GGEDRO C=C(C)COCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245670775 1433497775 /nfs/dbraw/zinc/49/77/75/1433497775.db2.gz HVNUPPFXDUMGRQ-QAPCUYQASA-N 1 0 383.895 3.364 20 30 GGEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245698615 1433502160 /nfs/dbraw/zinc/50/21/60/1433502160.db2.gz MZPOSDFTDKSBSH-CRAIPNDOSA-N 1 0 378.879 3.417 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000245699600 1433502327 /nfs/dbraw/zinc/50/23/27/1433502327.db2.gz YYAUBPQQLAKJOH-RTWAWAEBSA-N 1 0 393.487 3.142 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245742995 1433509915 /nfs/dbraw/zinc/50/99/15/1433509915.db2.gz MESJCGUKBCIKJA-MOPGFXCFSA-N 1 0 382.508 3.030 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000245778114 1433516533 /nfs/dbraw/zinc/51/65/33/1433516533.db2.gz HGYBOMXUSNPIEF-DLBZAZTESA-N 1 0 377.916 3.439 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245851775 1433526604 /nfs/dbraw/zinc/52/66/04/1433526604.db2.gz JKHHZMKMPMKPAH-MSOLQXFVSA-N 1 0 397.498 3.149 20 30 GGEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000245868099 1433530733 /nfs/dbraw/zinc/53/07/33/1433530733.db2.gz KJUBUPMSKPTXJG-HCXYKTFWSA-N 1 0 386.565 3.110 20 30 GGEDRO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245900159 1433537892 /nfs/dbraw/zinc/53/78/92/1433537892.db2.gz RYGZZKLJGLFLKX-XMSQKQJNSA-N 1 0 394.494 3.228 20 30 GGEDRO O=C1CC[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]2N1C1CC1 ZINC000245928562 1433544637 /nfs/dbraw/zinc/54/46/37/1433544637.db2.gz YARAJPOACPPMPE-LPHOPBHVSA-N 1 0 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N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)C2=O)cc1 ZINC000248975994 1433831292 /nfs/dbraw/zinc/83/12/92/1433831292.db2.gz DWDOSPYZEAFZCH-HKBOAZHASA-N 1 0 397.425 3.452 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000249008505 1433832085 /nfs/dbraw/zinc/83/20/85/1433832085.db2.gz JFVDRHFRQZOINT-KPLVRAHFSA-N 1 0 393.487 3.450 20 30 GGEDRO N#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1O ZINC000249038409 1433832952 /nfs/dbraw/zinc/83/29/52/1433832952.db2.gz COOVIRNYQCCLCQ-LEWJYISDSA-N 1 0 375.472 3.391 20 30 GGEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000249053203 1433833222 /nfs/dbraw/zinc/83/32/22/1433833222.db2.gz OLCDFXPNXXSPKA-YSZBQJHXSA-N 1 0 388.515 3.084 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000249074342 1433833981 /nfs/dbraw/zinc/83/39/81/1433833981.db2.gz MRZGAZJFEKUCHW-KSSFIOAISA-N 1 0 381.467 3.069 20 30 GGEDRO 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CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000250525690 1433856554 /nfs/dbraw/zinc/85/65/54/1433856554.db2.gz QIFRACGXHGXAKT-WOJBJXKFSA-N 1 0 398.551 3.177 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000250997549 1433857554 /nfs/dbraw/zinc/85/75/54/1433857554.db2.gz XILCRSYGSBHVFX-WIYYLYMNSA-N 1 0 393.535 3.298 20 30 GGEDRO C=CCN(CCOC)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000250978372 1433857579 /nfs/dbraw/zinc/85/75/79/1433857579.db2.gz VMPZOJUSBAVJBT-MAUKXSAKSA-N 1 0 383.895 3.316 20 30 GGEDRO Cc1ccc(NC(=O)CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000251168898 1433857886 /nfs/dbraw/zinc/85/78/86/1433857886.db2.gz WRBALVUSIZYVDF-UHFFFAOYSA-N 1 0 387.867 3.474 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000251682773 1433859666 /nfs/dbraw/zinc/85/96/66/1433859666.db2.gz NSELEZCBKVULTO-YWZLYKJASA-N 1 0 393.478 3.477 20 30 GGEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000253359844 1433866176 /nfs/dbraw/zinc/86/61/76/1433866176.db2.gz NMGIOLKZCHVDOR-XUVXKRRUSA-N 1 0 398.551 3.339 20 30 GGEDRO CON=Cc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000254943837 1433872796 /nfs/dbraw/zinc/87/27/96/1433872796.db2.gz WOMKCYCOVOERNW-OAQYLSRUSA-N 1 0 381.476 3.242 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)COc2ccc(F)c(F)c2)c(O)c1 ZINC000254961959 1433873083 /nfs/dbraw/zinc/87/30/83/1433873083.db2.gz NYNLZTKJDNWPCK-XYIDMMFISA-N 1 0 378.419 3.375 20 30 GGEDRO CC(C)CCC[C@@H](C)NC(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255049712 1433875023 /nfs/dbraw/zinc/87/50/23/1433875023.db2.gz NXGBZBAEWGIKSJ-GOSISDBHSA-N 1 0 375.513 3.205 20 30 GGEDRO CCN(Cc1cccc(F)c1)C(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255051569 1433875060 /nfs/dbraw/zinc/87/50/60/1433875060.db2.gz WMBMDNWWZCMALH-UHFFFAOYSA-N 1 0 399.466 3.062 20 30 GGEDRO C[C@@H](NC(=O)[C@@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000255061290 1433875291 /nfs/dbraw/zinc/87/52/91/1433875291.db2.gz QCFMSHUVHOXKDF-IAGOWNOFSA-N 1 0 399.466 3.279 20 30 GGEDRO C[C@@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000255061289 1433875303 /nfs/dbraw/zinc/87/53/03/1433875303.db2.gz QCFMSHUVHOXKDF-DLBZAZTESA-N 1 0 399.466 3.279 20 30 GGEDRO Oc1ccc(Br)cc1/C=N\C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000255069653 1433875605 /nfs/dbraw/zinc/87/56/05/1433875605.db2.gz FGTAVAMEHNZQIK-WWBTZOKRSA-N 1 0 381.314 3.342 20 30 GGEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(OCc2ccccc2)c1 ZINC000255144735 1433877495 /nfs/dbraw/zinc/87/74/95/1433877495.db2.gz PSJXEOXQOXIQKM-AWZKZOKMSA-N 1 0 391.471 3.443 20 30 GGEDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3ccccc3C#N)cc2F)CC1 ZINC000255168210 1433877887 /nfs/dbraw/zinc/87/78/87/1433877887.db2.gz ZUALNKOGOXBKBY-NTMALXAHSA-N 1 0 392.478 3.169 20 30 GGEDRO C[C@H](NC(=O)/C=C\c1ccccc1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000255168173 1433877905 /nfs/dbraw/zinc/87/79/05/1433877905.db2.gz WTCUUITUMPRJKK-JEZWAEDTSA-N 1 0 392.478 3.340 20 30 GGEDRO Cc1ccc(NC(=O)[C@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000255230022 1433878678 /nfs/dbraw/zinc/87/86/78/1433878678.db2.gz ZIOYWKRSSRGHPH-INIZCTEOSA-N 1 0 385.439 3.348 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C=NOC)cc1 ZINC000255302324 1433879782 /nfs/dbraw/zinc/87/97/82/1433879782.db2.gz WXIVCVDRARWVRL-NRFANRHFSA-N 1 0 395.503 3.499 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C=NOC)cc3)c(C)c2)CC1 ZINC000255363065 1433881371 /nfs/dbraw/zinc/88/13/71/1433881371.db2.gz FBLGDGZDINXBHD-UHFFFAOYSA-N 1 0 380.492 3.370 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255573592 1433885729 /nfs/dbraw/zinc/88/57/29/1433885729.db2.gz VFGWOKPEJZYGNO-KAMYIIQDSA-N 1 0 387.480 3.062 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C=NOC)cc1 ZINC000255577620 1433885824 /nfs/dbraw/zinc/88/58/24/1433885824.db2.gz QKRSLSWHIACYPY-NRFANRHFSA-N 1 0 380.492 3.189 20 30 GGEDRO C[NH+]=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)N(C)C[C@H]1CCOC1 ZINC000261606117 1433897042 /nfs/dbraw/zinc/89/70/42/1433897042.db2.gz DMEKWBVFNBJYST-GOSISDBHSA-N 1 0 379.504 3.332 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CCC1)N(C)C[C@@H]1CCOC1 ZINC000261650722 1433898117 /nfs/dbraw/zinc/89/81/17/1433898117.db2.gz MKSSFIUYEPZYDG-HNNXBMFYSA-N 1 0 394.357 3.415 20 30 GGEDRO C[NH+]=C(NCc1cccc2cccnc21)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000261645000 1433898210 /nfs/dbraw/zinc/89/82/10/1433898210.db2.gz DOBWFDIDSAOKAK-NRFANRHFSA-N 1 0 396.535 3.360 20 30 GGEDRO CC[NH+]=C(N[C@H](C)c1cccc(-n2cccn2)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261667886 1433898443 /nfs/dbraw/zinc/89/84/43/1433898443.db2.gz OTGXQIFZGBSJTM-RCOXNQKVSA-N 1 0 393.535 3.446 20 30 GGEDRO C[NH+]=C(Nc1cc(OC)c(OC)c(OC)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261666833 1433898476 /nfs/dbraw/zinc/89/84/76/1433898476.db2.gz GLKLAGWMJPNHQE-KYNGSXCRSA-N 1 0 389.496 3.047 20 30 GGEDRO C[NH+]=C(Nc1cc(OC)c(OC)c(OC)c1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000261666838 1433898522 /nfs/dbraw/zinc/89/85/22/1433898522.db2.gz GLKLAGWMJPNHQE-ZMYBRWDISA-N 1 0 389.496 3.047 20 30 GGEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261673047 1433898674 /nfs/dbraw/zinc/89/86/74/1433898674.db2.gz POGWPEUBRADFDO-QFHJOOASSA-N 1 0 388.581 3.008 20 30 GGEDRO C[NH+]=C(NCc1sc(C)nc1C)N(C)Cc1cc(Br)cn1C ZINC000261710486 1433899705 /nfs/dbraw/zinc/89/97/05/1433899705.db2.gz HEUCYXAUDHZWHU-UHFFFAOYSA-N 1 0 384.347 3.068 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261747291 1433901507 /nfs/dbraw/zinc/90/15/07/1433901507.db2.gz NBLHIIGHAFNABB-QXCZDIPSSA-N 1 0 377.573 3.340 20 30 GGEDRO CS(=O)(=O)c1cc(CNC(=[NH2+])NC2CCCCCC2)cc(C(F)(F)F)c1 ZINC000261754449 1433901825 /nfs/dbraw/zinc/90/18/25/1433901825.db2.gz KLBYGCSOXGESAB-UHFFFAOYSA-N 1 0 391.459 3.236 20 30 GGEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N1CCSC2(CCCCC2)C1 ZINC000261766624 1433902444 /nfs/dbraw/zinc/90/24/44/1433902444.db2.gz DKLGNQODHFTAET-UHFFFAOYSA-N 1 0 398.580 3.403 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000261777862 1433903404 /nfs/dbraw/zinc/90/34/04/1433903404.db2.gz SAYDGCSVSWPOQD-UHFFFAOYSA-N 1 0 386.414 3.016 20 30 GGEDRO C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1nc(-c2ccccc2)no1 ZINC000261776458 1433903415 /nfs/dbraw/zinc/90/34/15/1433903415.db2.gz ZWQCAFSDLKXCMX-YOEHRIQHSA-N 1 0 377.448 3.268 20 30 GGEDRO C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1nc(-c2ccccc2)no1 ZINC000261776455 1433903467 /nfs/dbraw/zinc/90/34/67/1433903467.db2.gz ZWQCAFSDLKXCMX-WMLDXEAASA-N 1 0 377.448 3.268 20 30 GGEDRO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261797691 1433904609 /nfs/dbraw/zinc/90/46/09/1433904609.db2.gz GQMAIROJSRLCGV-MWDXBVQZSA-N 1 0 398.334 3.149 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CCN(c2ccccc2)CC1 ZINC000261820612 1433905493 /nfs/dbraw/zinc/90/54/93/1433905493.db2.gz UIMREJMILSSXAX-HBMCJLEFSA-N 1 0 382.552 3.168 20 30 GGEDRO CC[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CCSC(C)(C)C1 ZINC000261829707 1433905724 /nfs/dbraw/zinc/90/57/24/1433905724.db2.gz JAGOTWGHMKISAJ-UHFFFAOYSA-N 1 0 380.505 3.497 20 30 GGEDRO C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261846066 1433906593 /nfs/dbraw/zinc/90/65/93/1433906593.db2.gz SKRIEYJEPJFNQF-DEOSSOPVSA-N 1 0 396.579 3.190 20 30 GGEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CCC(OCC2CC2)CC1 ZINC000261864555 1433907740 /nfs/dbraw/zinc/90/77/40/1433907740.db2.gz ZTIOVTSPQLEVAI-UHFFFAOYSA-N 1 0 393.915 3.078 20 30 GGEDRO C[NH+]=C(NCc1csc(Br)c1)NC[C@@](C)(O)c1cccs1 ZINC000261870985 1433908459 /nfs/dbraw/zinc/90/84/59/1433908459.db2.gz ZPSRSRBBBDHWIN-CQSZACIVSA-N 1 0 388.356 3.145 20 30 GGEDRO Cc1nnc(CNC(N[C@@H](C)c2ccc(F)c(F)c2)=[NH+]C2CCCC2)n1C ZINC000261936659 1433914213 /nfs/dbraw/zinc/91/42/13/1433914213.db2.gz CPVUXUNJKCWUQR-LBPRGKRZSA-N 1 0 376.455 3.141 20 30 GGEDRO CC[C@]1(C)CCN(C(N[C@H]2CCOc3ccccc32)=[NH+]Cc2nnc(C)n2C)C1 ZINC000261938738 1433914318 /nfs/dbraw/zinc/91/43/18/1433914318.db2.gz CYXYLMQXGXYNBM-PGRDOPGGSA-N 1 0 396.539 3.215 20 30 GGEDRO Cc1nnc(C[NH+]=C(NCc2cccs2)N2CCC3(C2)CCCCC3)n1C ZINC000261948267 1433915269 /nfs/dbraw/zinc/91/52/69/1433915269.db2.gz GOCAHQDJAKFWSL-UHFFFAOYSA-N 1 0 386.569 3.487 20 30 GGEDRO C[NH+]=C(NCc1cc(C)ccc1OC(F)F)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261949381 1433915586 /nfs/dbraw/zinc/91/55/86/1433915586.db2.gz GWZPQQRYLJSJBP-UAGQMJEPSA-N 1 0 381.467 3.465 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N(C)Cc2ccc(Cl)s2)n1C ZINC000261951564 1433915801 /nfs/dbraw/zinc/91/58/01/1433915801.db2.gz HNUNKRJMVZNSJU-UHFFFAOYSA-N 1 0 380.949 3.359 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CC2)N2CCC[C@]3(CCCc4ccccc43)C2)n1C ZINC000261956667 1433916324 /nfs/dbraw/zinc/91/63/24/1433916324.db2.gz IYBHLOIGIOJJGN-HSZRJFAPSA-N 1 0 392.551 3.102 20 30 GGEDRO CC[C@@H]1CN(C(NCc2nnc(C)n2C)=[NH+]C2CC2)CC[C@@H]1c1ccccc1 ZINC000261958117 1433916381 /nfs/dbraw/zinc/91/63/81/1433916381.db2.gz JIDHYCXLPXQBNX-XLIONFOSSA-N 1 0 380.540 3.247 20 30 GGEDRO CC[C@@H]1CN(C(NCc2nnc(C)n2C)=[NH+]C2CC2)CC[C@H]1c1ccccc1 ZINC000261958118 1433916499 /nfs/dbraw/zinc/91/64/99/1433916499.db2.gz JIDHYCXLPXQBNX-YLJYHZDGSA-N 1 0 380.540 3.247 20 30 GGEDRO CC[NH+]=C(NCCc1ccc(F)c(Br)c1)N1CC[C@]2(CCOC2)C1 ZINC000261958609 1433916707 /nfs/dbraw/zinc/91/67/07/1433916707.db2.gz JNIBZLAFQGTPPI-SFHVURJKSA-N 1 0 398.320 3.209 20 30 GGEDRO C[NH+]=C(NCC(C)(C)c1ccc(Br)cc1)N1CC[C@]2(CCOC2)C1 ZINC000261961972 1433916909 /nfs/dbraw/zinc/91/69/09/1433916909.db2.gz KIUHYGOYCSCYFY-IBGZPJMESA-N 1 0 394.357 3.415 20 30 GGEDRO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCc2sccc2C1 ZINC000261963645 1433916955 /nfs/dbraw/zinc/91/69/55/1433916955.db2.gz AFWACMVYQUBRTG-AWEZNQCLSA-N 1 0 386.521 3.083 20 30 GGEDRO CC[NH+]=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@]2(CCOC2)C1 ZINC000261961259 1433916997 /nfs/dbraw/zinc/91/69/97/1433916997.db2.gz KGIDRBPMFCQLTA-LJQANCHMSA-N 1 0 379.426 3.135 20 30 GGEDRO CC[NH+]=C(NCc1c(C)noc1C)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000261965523 1433917045 /nfs/dbraw/zinc/91/70/45/1433917045.db2.gz PVMYRFJFXFQFSI-UHFFFAOYSA-N 1 0 392.887 3.361 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@H](Cc3ccccc3)C2)n1C ZINC000261963586 1433917134 /nfs/dbraw/zinc/91/71/34/1433917134.db2.gz KXDBWOQYJRYQIQ-LJQANCHMSA-N 1 0 380.540 3.076 20 30 GGEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCC(C)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261970659 1433918028 /nfs/dbraw/zinc/91/80/28/1433918028.db2.gz MRMLPPZXIICXDW-WIYYLYMNSA-N 1 0 390.597 3.209 20 30 GGEDRO C[NH+]=C(NCc1ccc(Oc2cccc(OC)c2)nc1)N1CC[C@@]2(CCOC2)C1 ZINC000261975002 1433918119 /nfs/dbraw/zinc/91/81/19/1433918119.db2.gz NOAKSOGZCQOBNQ-JOCHJYFZSA-N 1 0 396.491 3.070 20 30 GGEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261975977 1433918462 /nfs/dbraw/zinc/91/84/62/1433918462.db2.gz NQRJDTFBZCZKEO-SJLPKXTDSA-N 1 0 396.539 3.006 20 30 GGEDRO CC[NH+]=C(NCc1cccc2cccnc21)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261977266 1433918819 /nfs/dbraw/zinc/91/88/19/1433918819.db2.gz NXNRGVCMSBKGMA-FXAWDEMLSA-N 1 0 376.508 3.480 20 30 GGEDRO C[NH+]=C(NCc1cc(F)ccc1SC)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261982560 1433919129 /nfs/dbraw/zinc/91/91/29/1433919129.db2.gz PEYHKNJPSJSOIV-WMLDXEAASA-N 1 0 375.517 3.403 20 30 GGEDRO CC[NH+]=C(NCc1cc(F)ccc1Br)N1CC[C@@]2(CCOC2)C1 ZINC000261982028 1433919165 /nfs/dbraw/zinc/91/91/65/1433919165.db2.gz PBSVDCMIHZYSPB-QGZVFWFLSA-N 1 0 384.293 3.166 20 30 GGEDRO [NH2+]=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000261987798 1433919759 /nfs/dbraw/zinc/91/97/59/1433919759.db2.gz KQGCVPCAPRNLEG-OAQYLSRUSA-N 1 0 382.483 3.115 20 30 GGEDRO [NH2+]=C(NCc1cc(Cl)c2c(c1)OCCO2)Nc1ccc2c(c1)OCCCO2 ZINC000261990817 1433919765 /nfs/dbraw/zinc/91/97/65/1433919765.db2.gz LSQMRGBZYANVBO-UHFFFAOYSA-N 1 0 389.839 3.199 20 30 GGEDRO C[NH+]=C(NCc1cc(C)ccc1OC(F)F)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261992376 1433919975 /nfs/dbraw/zinc/91/99/75/1433919975.db2.gz RQJGWRAWPYTEAZ-UAGQMJEPSA-N 1 0 379.451 3.219 20 30 GGEDRO Cc1nnc(CNC(N[C@H]2CC3(CCCC3)Oc3ccccc32)=[NH+]C2CC2)n1C ZINC000261995947 1433919983 /nfs/dbraw/zinc/91/99/83/1433919983.db2.gz SINKCSVGWOEXQL-SFHVURJKSA-N 1 0 394.523 3.158 20 30 GGEDRO C[NH+]=C(NCc1cc(C)ccc1OC(F)F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261992378 1433920038 /nfs/dbraw/zinc/92/00/38/1433920038.db2.gz RQJGWRAWPYTEAZ-USXIJHARSA-N 1 0 379.451 3.219 20 30 GGEDRO C[NH+]=C(N[C@H](C)c1cccc(N2CCCC2)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261994720 1433920100 /nfs/dbraw/zinc/92/01/00/1433920100.db2.gz SDHPQPPSBXCYHV-RCOXNQKVSA-N 1 0 382.552 3.470 20 30 GGEDRO CC[NH+]=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CC[C@@]2(CCOC2)C1 ZINC000261998445 1433920581 /nfs/dbraw/zinc/92/05/81/1433920581.db2.gz SXXUUHCUJOTTGU-HXUWFJFHSA-N 1 0 393.915 3.079 20 30 GGEDRO C[NH+]=C(NC[C@H](c1ccco1)N1CCCCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261999681 1433920801 /nfs/dbraw/zinc/92/08/01/1433920801.db2.gz UBARIZSMSNYUAG-XUVXKRRUSA-N 1 0 398.555 3.162 20 30 GGEDRO CN(C)C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)=[NH+]Cc1ccccc1 ZINC000262011976 1433921531 /nfs/dbraw/zinc/92/15/31/1433921531.db2.gz ULZUTFARFVBSIK-UHFFFAOYSA-N 1 0 395.503 3.171 20 30 GGEDRO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000262011332 1433921715 /nfs/dbraw/zinc/92/17/15/1433921715.db2.gz WPVOWJXETBHCMA-QHCPKHFHSA-N 1 0 392.551 3.125 20 30 GGEDRO C/[NH+]=C(\NCc1cn2ccsc2n1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262034385 1433923780 /nfs/dbraw/zinc/92/37/80/1433923780.db2.gz XOMGIDOAXVZENI-AWEZNQCLSA-N 1 0 398.319 3.101 20 30 GGEDRO C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N1CCN(Cc2cc(C)on2)CC1 ZINC000262296080 1433933954 /nfs/dbraw/zinc/93/39/54/1433933954.db2.gz YPGNNEVUIFOSCE-UHFFFAOYSA-N 1 0 399.470 3.070 20 30 GGEDRO [NH2+]=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000262326366 1433934938 /nfs/dbraw/zinc/93/49/38/1433934938.db2.gz WZAZPJCLBZZNQL-UHFFFAOYSA-N 1 0 386.446 3.173 20 30 GGEDRO CN(Cc1ccccc1Cl)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262330497 1433935389 /nfs/dbraw/zinc/93/53/89/1433935389.db2.gz AUPNERTUXIOKLG-HNNXBMFYSA-N 1 0 397.972 3.095 20 30 GGEDRO CC[C@]1(C)CCN(C(N[C@H](C)c2ccccc2)=[NH+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000262331065 1433935394 /nfs/dbraw/zinc/93/53/94/1433935394.db2.gz AXPGKNSCCQVZDD-LVCYWYKZSA-N 1 0 391.581 3.250 20 30 GGEDRO C[C@@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1ccc(Cl)cc1 ZINC000262346421 1433935928 /nfs/dbraw/zinc/93/59/28/1433935928.db2.gz DKWGWXUPKWEEJA-CABCVRRESA-N 1 0 397.972 3.314 20 30 GGEDRO CC[NH+]=C(NCc1ccc(Cl)cc1Cl)NC[C@H]1CCc2nnc(C)n2C1 ZINC000262349977 1433936237 /nfs/dbraw/zinc/93/62/37/1433936237.db2.gz BDORPDPYZBHKPZ-CYBMUJFWSA-N 1 0 395.338 3.211 20 30 GGEDRO CC[C@@H]1CCC[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1 ZINC000262354726 1433936327 /nfs/dbraw/zinc/93/63/27/1433936327.db2.gz FSMHGXOFKBDSJE-LMMKCTJWSA-N 1 0 383.602 3.258 20 30 GGEDRO CC[C@@H]1CCC[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1 ZINC000262354724 1433936475 /nfs/dbraw/zinc/93/64/75/1433936475.db2.gz FSMHGXOFKBDSJE-AOIWGVFYSA-N 1 0 383.602 3.258 20 30 GGEDRO [NH2+]=C(NCCc1nc(-c2cccc(Cl)c2)no1)N[C@H]1CCOc2ccccc21 ZINC000262363578 1433936749 /nfs/dbraw/zinc/93/67/49/1433936749.db2.gz HHOHCOYBUFFXAT-INIZCTEOSA-N 1 0 397.866 3.361 20 30 GGEDRO Cc1ccsc1CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CCCC[C@@H]1C ZINC000262374391 1433936935 /nfs/dbraw/zinc/93/69/35/1433936935.db2.gz JDSLNSVWBDQTBD-BHYGNILZSA-N 1 0 397.610 3.105 20 30 GGEDRO CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262373536 1433936943 /nfs/dbraw/zinc/93/69/43/1433936943.db2.gz JBFZRLYOHGNBGH-LTFXXXRZSA-N 1 0 383.602 3.114 20 30 GGEDRO [NH2+]=C(NC[C@H](O)c1c(Cl)cccc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000262373478 1433937042 /nfs/dbraw/zinc/93/70/42/1433937042.db2.gz JANUBMMPYJBYEC-CABCVRRESA-N 1 0 380.275 3.455 20 30 GGEDRO CN(Cc1cccc(Cl)c1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262381194 1433937234 /nfs/dbraw/zinc/93/72/34/1433937234.db2.gz KLPCOSVUKNJCIZ-INIZCTEOSA-N 1 0 397.972 3.095 20 30 GGEDRO CC[C@]1(C)CCN(C(N[C@H](C)c2cccs2)=[NH+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000262385745 1433937419 /nfs/dbraw/zinc/93/74/19/1433937419.db2.gz LFJAQZFBWQKRGA-JTDSTZFVSA-N 1 0 397.610 3.311 20 30 GGEDRO CC(C)C[C@@H]1CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1 ZINC000262389679 1433937450 /nfs/dbraw/zinc/93/74/50/1433937450.db2.gz MADLCTFWUBQXRR-ZWKOTPCHSA-N 1 0 383.602 3.067 20 30 GGEDRO Cn1cc(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2ccc(F)cc21 ZINC000262395370 1433937654 /nfs/dbraw/zinc/93/76/54/1433937654.db2.gz MXIPRBWWUAOYPG-UHFFFAOYSA-N 1 0 382.439 3.448 20 30 GGEDRO CC(C)C1CCC(NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)CC1 ZINC000262398889 1433937842 /nfs/dbraw/zinc/93/78/42/1433937842.db2.gz NIFFARJGYNYPOM-MUYFXNHWSA-N 1 0 383.602 3.114 20 30 GGEDRO CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC1CC(C)(C)CC(C)(C)C1 ZINC000262407257 1433938029 /nfs/dbraw/zinc/93/80/29/1433938029.db2.gz OTJZMCVGEFVFGM-HOTGVXAUSA-N 1 0 385.618 3.360 20 30 GGEDRO CC(C)C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NC1CC(C)(C)CC(C)(C)C1 ZINC000262419206 1433938369 /nfs/dbraw/zinc/93/83/69/1433938369.db2.gz QRSTXANIZHJMSB-MRXNPFEDSA-N 1 0 385.618 3.217 20 30 GGEDRO C[C@@H]1CC[C@H]([NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C ZINC000262419282 1433938390 /nfs/dbraw/zinc/93/83/90/1433938390.db2.gz QTXWUMMDJRYWJX-XHYRXIGBSA-N 1 0 397.629 3.360 20 30 GGEDRO [NH2+]=C(NCc1ccc(C(=O)N2CCCCC2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000262423313 1433938453 /nfs/dbraw/zinc/93/84/53/1433938453.db2.gz AXEBRTHQHDZIFB-HXUWFJFHSA-N 1 0 392.503 3.241 20 30 GGEDRO CC[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262429530 1433938556 /nfs/dbraw/zinc/93/85/56/1433938556.db2.gz DPTKREZNVIEKHT-CQSZACIVSA-N 1 0 384.509 3.092 20 30 GGEDRO C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262429681 1433938561 /nfs/dbraw/zinc/93/85/61/1433938561.db2.gz SERMMEZFIYCZEP-ZLKJLUDKSA-N 1 0 390.475 3.073 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N(C)Cc1cc(OC)c(OC)cc1C ZINC000262431169 1433938612 /nfs/dbraw/zinc/93/86/12/1433938612.db2.gz SLPGVRUTFYOOHM-PWIZWCRZSA-N 1 0 389.540 3.223 20 30 GGEDRO CC[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262429528 1433938623 /nfs/dbraw/zinc/93/86/23/1433938623.db2.gz DPTKREZNVIEKHT-AWEZNQCLSA-N 1 0 384.509 3.092 20 30 GGEDRO C=C(C)CNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC(C)(C)CC(C)(C)C1 ZINC000262440561 1433939197 /nfs/dbraw/zinc/93/91/97/1433939197.db2.gz UNOZYVWKWGSVFS-INIZCTEOSA-N 1 0 383.602 3.137 20 30 GGEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CCN(c2ccccc2)CC1 ZINC000262445317 1433939359 /nfs/dbraw/zinc/93/93/59/1433939359.db2.gz VDTVNBRONMWCSN-PWRODBHTSA-N 1 0 384.568 3.414 20 30 GGEDRO C[C@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1cccc(Cl)c1 ZINC000262447186 1433939444 /nfs/dbraw/zinc/93/94/44/1433939444.db2.gz VLNKHVOUGOSITB-LSDHHAIUSA-N 1 0 397.972 3.314 20 30 GGEDRO CCC1(CC)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+][C@@H]2CCCC[C@H]2C)C1 ZINC000262449659 1433939572 /nfs/dbraw/zinc/93/95/72/1433939572.db2.gz VTFPCQFVAUPPIG-CEXWTWQISA-N 1 0 397.629 3.458 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)Cc1ccc(Br)s1 ZINC000262453938 1433939688 /nfs/dbraw/zinc/93/96/88/1433939688.db2.gz WLUNBTBDEHTXQP-YUTCNCBUSA-N 1 0 386.359 3.331 20 30 GGEDRO COc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1Br ZINC000262452209 1433939693 /nfs/dbraw/zinc/93/96/93/1433939693.db2.gz DYJRMRJTDUIMNE-OAHLLOKOSA-N 1 0 390.281 3.386 20 30 GGEDRO C[NH+]=C(NC[C@@](C)(O)c1ccco1)N(C)Cc1ccc(Br)s1 ZINC000262452145 1433939702 /nfs/dbraw/zinc/93/97/02/1433939702.db2.gz WCXVMURCJKUSDU-OAHLLOKOSA-N 1 0 386.315 3.019 20 30 GGEDRO C[NH+]=C(NCCn1cnc2ccccc21)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000262458573 1433939806 /nfs/dbraw/zinc/93/98/06/1433939806.db2.gz LWECTKLBMFIXCZ-GOSISDBHSA-N 1 0 377.492 3.110 20 30 GGEDRO Cc1cc(C)c(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)c(C)c1 ZINC000262465716 1433940074 /nfs/dbraw/zinc/94/00/74/1433940074.db2.gz YFQMCONTTBLZTI-SFHVURJKSA-N 1 0 391.581 3.024 20 30 GGEDRO C[C@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1ccccc1Cl ZINC000262476268 1433940314 /nfs/dbraw/zinc/94/03/14/1433940314.db2.gz ZVUKCPZPVNYHHC-LSDHHAIUSA-N 1 0 397.972 3.314 20 30 GGEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCOCC1)N1CC[C@H](c2ccccc2)C1 ZINC000262474116 1433940343 /nfs/dbraw/zinc/94/03/43/1433940343.db2.gz PQIYTYFLLYTQTM-VQTJNVASSA-N 1 0 398.576 3.186 20 30 GGEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@H]1CCC[C@@H](C)C1)c1cccs1 ZINC000262475627 1433940447 /nfs/dbraw/zinc/94/04/47/1433940447.db2.gz ZSBMEFLQBPJHRJ-QZWWFDLISA-N 1 0 397.610 3.358 20 30 GGEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N1CC[C@H](Cc2ccccc2)C1 ZINC000262489213 1433940854 /nfs/dbraw/zinc/94/08/54/1433940854.db2.gz UGAZCZSFSRTRHI-HXUWFJFHSA-N 1 0 388.519 3.216 20 30 GGEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)N2CCOCC2)o1 ZINC000262484448 1433940920 /nfs/dbraw/zinc/94/09/20/1433940920.db2.gz SFMSAPAJBZQDDH-HXUWFJFHSA-N 1 0 382.508 3.267 20 30 GGEDRO [NH2+]=C(NCc1nn(-c2ccccc2)c2c1CCC2)N[C@@H]1CCOc2ccccc21 ZINC000262484680 1433940987 /nfs/dbraw/zinc/94/09/87/1433940987.db2.gz IJCYFLVXFUBKFG-LJQANCHMSA-N 1 0 387.487 3.289 20 30 GGEDRO [NH2+]=C(NCCOc1ncc(Cl)cc1Cl)N[C@H]1CCOc2ccccc21 ZINC000262490508 1433941126 /nfs/dbraw/zinc/94/11/26/1433941126.db2.gz JDUFFFWUFSCMBY-AWEZNQCLSA-N 1 0 381.263 3.195 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H](CSc2ccccc2)C1 ZINC000262491608 1433941201 /nfs/dbraw/zinc/94/12/01/1433941201.db2.gz VDEXVUCTNKMLBB-KRWDZBQOSA-N 1 0 398.580 3.194 20 30 GGEDRO [NH2+]=C(NCCNc1ncc(Cl)cc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000262502028 1433941742 /nfs/dbraw/zinc/94/17/42/1433941742.db2.gz KSOXXSSDTLBPNX-CQSZACIVSA-N 1 0 380.279 3.228 20 30 GGEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NCc1ccc2c(c1)OCCCO2 ZINC000262517168 1433941906 /nfs/dbraw/zinc/94/19/06/1433941906.db2.gz NCPQZJIUIQGCKK-UHFFFAOYSA-N 1 0 379.382 3.471 20 30 GGEDRO CC[NH+]=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)N1CCC[C@H](C)C1 ZINC000262516162 1433941933 /nfs/dbraw/zinc/94/19/33/1433941933.db2.gz CTYUMUUUMNFXAR-KRWDZBQOSA-N 1 0 387.524 3.161 20 30 GGEDRO COc1ccc(Br)c(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000262521927 1433942405 /nfs/dbraw/zinc/94/24/05/1433942405.db2.gz NZJXUWXXKLITRY-INIZCTEOSA-N 1 0 390.281 3.386 20 30 GGEDRO CNC(=O)c1cccc(CNC(=[NH+]C)N(C)Cc2c(F)cccc2Cl)c1 ZINC000262531037 1433942521 /nfs/dbraw/zinc/94/25/21/1433942521.db2.gz IEWDTZSTFZZAKC-UHFFFAOYSA-N 1 0 376.863 3.046 20 30 GGEDRO [NH2+]=C(NCc1cccc(NC(=O)N2CCCC2)c1)N[C@@H]1CCOc2ccccc21 ZINC000262533413 1433942529 /nfs/dbraw/zinc/94/25/29/1433942529.db2.gz QABVBVQJJZTGKZ-LJQANCHMSA-N 1 0 393.491 3.242 20 30 GGEDRO Cc1nc(C)c(CCNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000262533698 1433942705 /nfs/dbraw/zinc/94/27/05/1433942705.db2.gz ORGOHRGDQLHJJC-UHFFFAOYSA-N 1 0 377.945 3.093 20 30 GGEDRO [NH2+]=C(NCc1ccc(N2CCCCCC2)nc1)N[C@@H]1CCOc2ccccc21 ZINC000262552218 1433943241 /nfs/dbraw/zinc/94/32/41/1433943241.db2.gz UAGXNCQIWFGEPF-LJQANCHMSA-N 1 0 379.508 3.390 20 30 GGEDRO [NH2+]=C(NCc1ccc(N2CCCCCC2)nc1)N[C@H]1CCOc2ccccc21 ZINC000262551689 1433943279 /nfs/dbraw/zinc/94/32/79/1433943279.db2.gz UAGXNCQIWFGEPF-IBGZPJMESA-N 1 0 379.508 3.390 20 30 GGEDRO [NH2+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CCOc2ccccc21 ZINC000262553288 1433943391 /nfs/dbraw/zinc/94/33/91/1433943391.db2.gz UHJZVLLBRJAMRY-INIZCTEOSA-N 1 0 387.867 3.082 20 30 GGEDRO CC(C)(CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000262560237 1433943511 /nfs/dbraw/zinc/94/35/11/1433943511.db2.gz WBJSWEKDNIRMSM-QGZVFWFLSA-N 1 0 381.476 3.164 20 30 GGEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N(C)Cc1ccccc1Cl ZINC000262565968 1433943792 /nfs/dbraw/zinc/94/37/92/1433943792.db2.gz LGSJBSNYLXBFHB-UHFFFAOYSA-N 1 0 382.899 3.437 20 30 GGEDRO C[NH+]=C(NCc1ccc(C(=O)N(C)C)cc1)N(C)Cc1c(F)cccc1Cl ZINC000262572877 1433944130 /nfs/dbraw/zinc/94/41/30/1433944130.db2.gz NJWMZGDZGMTSOQ-UHFFFAOYSA-N 1 0 390.890 3.388 20 30 GGEDRO CSc1ccc([C@@H](CNC2=[NH+]CCN2C)N2CCc3sccc3C2)cc1 ZINC000262644681 1433947679 /nfs/dbraw/zinc/94/76/79/1433947679.db2.gz IUCGXISAGGNCQL-GOSISDBHSA-N 1 0 386.590 3.460 20 30 GGEDRO C[C@](O)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 ZINC000262665126 1433949034 /nfs/dbraw/zinc/94/90/34/1433949034.db2.gz NAKZFBYTSJHIFF-IBGZPJMESA-N 1 0 375.856 3.136 20 30 GGEDRO c1coc(CCNC(N[C@@H]2CCOC3(CCCC3)C2)=[NH+]C2CCOCC2)c1 ZINC000262675812 1433949353 /nfs/dbraw/zinc/94/93/53/1433949353.db2.gz QYOWGKGHUTWHNG-GOSISDBHSA-N 1 0 375.513 3.028 20 30 GGEDRO C[C@@H]1CCCC[C@@H]1[NH+]=C(NCCc1ccco1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000262677871 1433949399 /nfs/dbraw/zinc/94/93/99/1433949399.db2.gz RTDPNWBCOUKEHH-VFSLUADLSA-N 1 0 389.540 3.274 20 30 GGEDRO CC[NH+]=C(NCc1cccc(N2CC=CC2)c1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262678165 1433949520 /nfs/dbraw/zinc/94/95/20/1433949520.db2.gz RXHOVDZBEOXUIW-HBMCJLEFSA-N 1 0 382.552 3.322 20 30 GGEDRO C[NH+]=C(NCc1ccsc1)NCc1cc2c(c(Br)c1)OCO2 ZINC000262681012 1433949761 /nfs/dbraw/zinc/94/97/61/1433949761.db2.gz AOWQBMFDSCERRR-UHFFFAOYSA-N 1 0 382.283 3.105 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N(C)Cc1ccc2ccccc2c1 ZINC000262759945 1433954145 /nfs/dbraw/zinc/95/41/45/1433954145.db2.gz FREZCLCDJLHQRG-SFHVURJKSA-N 1 0 376.508 3.010 20 30 GGEDRO CC[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262768461 1433954830 /nfs/dbraw/zinc/95/48/30/1433954830.db2.gz HVWBRTJGXCTHFF-WMQCIHAUSA-N 1 0 395.551 3.169 20 30 GGEDRO C[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262793342 1433956608 /nfs/dbraw/zinc/95/66/08/1433956608.db2.gz OYAAPRPDFWHOFL-XKQJLSEDSA-N 1 0 378.586 3.352 20 30 GGEDRO C[NH+]=C(NCC1CCN(Cc2nc(C)c(C)o2)CC1)N1CCc2ccccc2C1 ZINC000262806109 1433957592 /nfs/dbraw/zinc/95/75/92/1433957592.db2.gz SDGIKHDXUZWWNI-UHFFFAOYSA-N 1 0 395.551 3.137 20 30 GGEDRO C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262824587 1433959305 /nfs/dbraw/zinc/95/93/05/1433959305.db2.gz XXWHUVHLAFDBEW-WMQCIHAUSA-N 1 0 395.551 3.169 20 30 GGEDRO CC[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CCC2(C1)CCOCC2 ZINC000262826612 1433959407 /nfs/dbraw/zinc/95/94/07/1433959407.db2.gz YMPVAUDNBAMHMN-UHFFFAOYSA-N 1 0 390.475 3.172 20 30 GGEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])NC2CCCCCC2)cc1C(F)(F)F ZINC000262830759 1433959605 /nfs/dbraw/zinc/95/96/05/1433959605.db2.gz ZUMGXCJHHDOOQD-UHFFFAOYSA-N 1 0 391.459 3.236 20 30 GGEDRO C[NH+]=C(NCc1scnc1C)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000262984856 1433973268 /nfs/dbraw/zinc/97/32/68/1433973268.db2.gz UREUAXHLJKFOQH-CQSZACIVSA-N 1 0 393.944 3.057 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)NC1CCCC1 ZINC000263113336 1433986824 /nfs/dbraw/zinc/98/68/24/1433986824.db2.gz FFKZSRDJSDRFIL-AWEZNQCLSA-N 1 0 379.346 3.383 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CCN(c2ccccc2)CC1 ZINC000263237879 1433997791 /nfs/dbraw/zinc/99/77/91/1433997791.db2.gz KETXATSHOQXXFF-UHFFFAOYSA-N 1 0 381.505 3.301 20 30 GGEDRO [NH2+]=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)N[C@H]1CCOc2ccccc21 ZINC000263246932 1433998028 /nfs/dbraw/zinc/99/80/28/1433998028.db2.gz HYVZJMZRMBOZFG-IEIRFRATSA-N 1 0 397.494 3.328 20 30 GGEDRO [NH2+]=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000263256517 1433998889 /nfs/dbraw/zinc/99/88/89/1433998889.db2.gz RASASNMRIPRAPI-UHFFFAOYSA-N 1 0 381.480 3.160 20 30 GGEDRO CC[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N1CCc2ccccc21 ZINC000263265110 1433999161 /nfs/dbraw/zinc/99/91/61/1433999161.db2.gz UUAMZNAQCSGMDF-UHFFFAOYSA-N 1 0 388.397 3.276 20 30 GGEDRO C[NH+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC1CCCCC1 ZINC000263261350 1433999243 /nfs/dbraw/zinc/99/92/43/1433999243.db2.gz SPCDELNZLUZDBZ-UHFFFAOYSA-N 1 0 388.825 3.399 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](CNC(=O)C(C)C)C2)c1C ZINC000263663598 1434017014 /nfs/dbraw/zinc/01/70/14/1434017014.db2.gz BFXMBUBLYFXZHH-HXUWFJFHSA-N 1 0 398.551 3.034 20 30 GGEDRO N#Cc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000263694072 1434021760 /nfs/dbraw/zinc/02/17/60/1434021760.db2.gz JABHUBPKUKFWLQ-UHFFFAOYSA-N 1 0 388.515 3.119 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC#Cc1ccccc1 ZINC000263694791 1434022032 /nfs/dbraw/zinc/02/20/32/1434022032.db2.gz LSSOGYWNPAFHCQ-JOCHJYFZSA-N 1 0 376.504 3.129 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000263698500 1434022638 /nfs/dbraw/zinc/02/26/38/1434022638.db2.gz IEEWLTDCYUDOLT-ZWKOTPCHSA-N 1 0 391.581 3.280 20 30 GGEDRO C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)N1CC[NH+](C)CC1 ZINC000263751008 1434029150 /nfs/dbraw/zinc/02/91/50/1434029150.db2.gz KBGONYIYFPKHIO-KRWDZBQOSA-N 1 0 394.544 3.075 20 30 GGEDRO CC(=O)Nc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000263781055 1434032891 /nfs/dbraw/zinc/03/28/91/1434032891.db2.gz YRPRBXRVTJDDHM-UHFFFAOYSA-N 1 0 376.460 3.367 20 30 GGEDRO C[C@@H](NC(=O)c1cccc(CC#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000263835878 1434039760 /nfs/dbraw/zinc/03/97/60/1434039760.db2.gz ZZBMPXXZHJKFAP-MRXNPFEDSA-N 1 0 380.467 3.135 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)c1 ZINC000263889362 1434045851 /nfs/dbraw/zinc/04/58/51/1434045851.db2.gz WQYFNRZMQPFJRO-UHFFFAOYSA-N 1 0 375.513 3.208 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000263950272 1434052349 /nfs/dbraw/zinc/05/23/49/1434052349.db2.gz DORZOHWTTWGUTM-NRFANRHFSA-N 1 0 392.503 3.133 20 30 GGEDRO C=C(C)CN(CC)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000263958600 1434053448 /nfs/dbraw/zinc/05/34/48/1434053448.db2.gz HDRCXWNIVBEYCI-UHFFFAOYSA-N 1 0 389.540 3.284 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000263976264 1434056321 /nfs/dbraw/zinc/05/63/21/1434056321.db2.gz ZNOIXQVAHUEEFV-UHFFFAOYSA-N 1 0 381.476 3.469 20 30 GGEDRO C[NH+](C)Cc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000263986308 1434057720 /nfs/dbraw/zinc/05/77/20/1434057720.db2.gz ZFTDAWCUSWAXTG-UHFFFAOYSA-N 1 0 378.476 3.414 20 30 GGEDRO Cc1ncc(CO)c(/C=N/c2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1O ZINC000263997318 1434059562 /nfs/dbraw/zinc/05/95/62/1434059562.db2.gz JSCDHSOSLAKNPQ-WYMPLXKRSA-N 1 0 386.471 3.008 20 30 GGEDRO CC[NH+]1CCN(CCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000264023893 1434063284 /nfs/dbraw/zinc/06/32/84/1434063284.db2.gz KGSFTEMHPDSZJY-UHFFFAOYSA-N 1 0 392.503 3.108 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1OC ZINC000264075584 1434069420 /nfs/dbraw/zinc/06/94/20/1434069420.db2.gz FOPHSUBJTCLIFT-RXVVDRJESA-N 1 0 383.492 3.276 20 30 GGEDRO COc1ccc(C2(CNC(=[NH2+])Nc3ccc(OC)c(OC)c3)CCOCC2)cc1 ZINC000264089849 1434070795 /nfs/dbraw/zinc/07/07/95/1434070795.db2.gz KOSYVAPSRLDOSY-UHFFFAOYSA-N 1 0 399.491 3.187 20 30 GGEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)N2CCCC2)cc1 ZINC000264088983 1434070966 /nfs/dbraw/zinc/07/09/66/1434070966.db2.gz KOBSUSLLJZLEDI-IBGZPJMESA-N 1 0 398.507 3.276 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCc2coc(-c3cccs3)n2)cc1OC ZINC000264107579 1434072244 /nfs/dbraw/zinc/07/22/44/1434072244.db2.gz OETFEDGACIFVIS-UHFFFAOYSA-N 1 0 386.477 3.067 20 30 GGEDRO COC[C@H](C)NC(=[NH2+])NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000264125076 1434073833 /nfs/dbraw/zinc/07/38/33/1434073833.db2.gz WBFBLIYUSACTRZ-KRWDZBQOSA-N 1 0 377.492 3.038 20 30 GGEDRO [NH2+]=C(NCc1cccc(C(=O)NC2CC2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000264134263 1434074695 /nfs/dbraw/zinc/07/46/95/1434074695.db2.gz ZEJFLRCPDMGOIB-UHFFFAOYSA-N 1 0 392.381 3.404 20 30 GGEDRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000264136416 1434074863 /nfs/dbraw/zinc/07/48/63/1434074863.db2.gz GVVMKHQOVBSEOA-IBGZPJMESA-N 1 0 386.540 3.340 20 30 GGEDRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2cccc(OCC#N)c2)cc1 ZINC000264219841 1434083813 /nfs/dbraw/zinc/08/38/13/1434083813.db2.gz VRWWJXRSIUFILO-UHFFFAOYSA-N 1 0 382.464 3.241 20 30 GGEDRO C[NH+](C)CCCOc1ccc(CNC(=O)/C=C/c2ccc(OCC#N)cc2)cc1 ZINC000264252326 1434087783 /nfs/dbraw/zinc/08/77/83/1434087783.db2.gz BOSGFHMQOWVPQU-MDWZMJQESA-N 1 0 393.487 3.249 20 30 GGEDRO COc1ccc(CNCC2([NH+]3CCCC3)CCOCC2)cc1OCCCC#N ZINC000264390259 1434106192 /nfs/dbraw/zinc/10/61/92/1434106192.db2.gz RRIAZCFFQRAYJH-UHFFFAOYSA-N 1 0 387.524 3.112 20 30 GGEDRO CC(C)[NH+]1CCC(N(C)C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000264396685 1434107089 /nfs/dbraw/zinc/10/70/89/1434107089.db2.gz JCFGUOWSAZAFOH-UHFFFAOYSA-N 1 0 384.524 3.045 20 30 GGEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000264396814 1434107094 /nfs/dbraw/zinc/10/70/94/1434107094.db2.gz YJMKWQCZKQMRPH-QGZVFWFLSA-N 1 0 393.491 3.108 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cccc(OC)c2)C[C@@H]2CCCO2)CC1 ZINC000264401327 1434107724 /nfs/dbraw/zinc/10/77/24/1434107724.db2.gz ZSXXGDNAMKJJIZ-NRFANRHFSA-N 1 0 387.524 3.036 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000264400962 1434107728 /nfs/dbraw/zinc/10/77/28/1434107728.db2.gz QDTKJMMRJCHIRP-UHFFFAOYSA-N 1 0 379.508 3.402 20 30 GGEDRO C=CCOc1cccc(C[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c1 ZINC000264404524 1434108152 /nfs/dbraw/zinc/10/81/52/1434108152.db2.gz WXUIBMDRPNTXOJ-UHFFFAOYSA-N 1 0 388.533 3.369 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000264407194 1434108771 /nfs/dbraw/zinc/10/87/71/1434108771.db2.gz NQEHKLDIYBTNIU-UHFFFAOYSA-N 1 0 392.503 3.389 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264421797 1434110635 /nfs/dbraw/zinc/11/06/35/1434110635.db2.gz ODFLCQKZNCDOIG-UHFFFAOYSA-N 1 0 384.524 3.123 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000264428909 1434111575 /nfs/dbraw/zinc/11/15/75/1434111575.db2.gz TWCUSNVNQJCDSU-ZDUSSCGKSA-N 1 0 377.439 3.442 20 30 GGEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264505004 1434121288 /nfs/dbraw/zinc/12/12/88/1434121288.db2.gz KTOUYFAWWDAMKB-LJQANCHMSA-N 1 0 379.460 3.431 20 30 GGEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)o1 ZINC000264575692 1434129972 /nfs/dbraw/zinc/12/99/72/1434129972.db2.gz SYQKQXDNNDNMEG-GOSISDBHSA-N 1 0 379.460 3.431 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1cccc(OC)c1 ZINC000264626625 1434136551 /nfs/dbraw/zinc/13/65/51/1434136551.db2.gz IPEGBQFDHHGLAK-QFIPXVFZSA-N 1 0 395.503 3.339 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)Cc2ccc(OCC#N)cc2)[NH+]2CCCC2)cc1 ZINC000264704405 1434146056 /nfs/dbraw/zinc/14/60/56/1434146056.db2.gz UZFGFNANJIMKSA-QFIPXVFZSA-N 1 0 377.488 3.393 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)[NH+]2CCCC2)cc1 ZINC000264704403 1434146252 /nfs/dbraw/zinc/14/62/52/1434146252.db2.gz UZFGFNANJIMKSA-JOCHJYFZSA-N 1 0 377.488 3.393 20 30 GGEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1 ZINC000264733903 1434149731 /nfs/dbraw/zinc/14/97/31/1434149731.db2.gz QOFUCLJVSAGMPM-QGZVFWFLSA-N 1 0 386.540 3.225 20 30 GGEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000264733257 1434149808 /nfs/dbraw/zinc/14/98/08/1434149808.db2.gz ZZQZVTRKRFCKMR-SBHAEUEKSA-N 1 0 399.535 3.208 20 30 GGEDRO COc1cccc([C@H](CNC(=O)Cc2ccc(OCC#N)cc2)[NH+]2CCCC2)c1 ZINC000264790801 1434155192 /nfs/dbraw/zinc/15/51/92/1434155192.db2.gz SKKYHPGKUVJXRL-QFIPXVFZSA-N 1 0 393.487 3.093 20 30 GGEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)ccc1OCc1ccncc1 ZINC000264908010 1434163853 /nfs/dbraw/zinc/16/38/53/1434163853.db2.gz YBLFDMZFKAQQSA-IRXDYDNUSA-N 1 0 396.491 3.080 20 30 GGEDRO COc1ccc(C[NH2+]CCCNC(=O)c2cccs2)cc1OCCCC#N ZINC000264942528 1434166209 /nfs/dbraw/zinc/16/62/09/1434166209.db2.gz GVOHJJNFYICLMP-UHFFFAOYSA-N 1 0 387.505 3.349 20 30 GGEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000264944893 1434166562 /nfs/dbraw/zinc/16/65/62/1434166562.db2.gz IDEJGGWCJMKUTC-QGZVFWFLSA-N 1 0 384.501 3.089 20 30 GGEDRO Cc1cccc(C(=O)NCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000264958053 1434167843 /nfs/dbraw/zinc/16/78/43/1434167843.db2.gz MYSYUECXVWBWOE-UHFFFAOYSA-N 1 0 387.487 3.292 20 30 GGEDRO C#CCOc1ccccc1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000265132815 1434188833 /nfs/dbraw/zinc/18/88/33/1434188833.db2.gz GIGKZPHQXXYFIX-UHFFFAOYSA-N 1 0 381.476 3.098 20 30 GGEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cc1OC ZINC000265150030 1434190549 /nfs/dbraw/zinc/19/05/49/1434190549.db2.gz BEABIFRPIDSHHW-MJGOQNOKSA-N 1 0 390.524 3.127 20 30 GGEDRO C[C@H]1C[NH+](CC2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000265162187 1434192257 /nfs/dbraw/zinc/19/22/57/1434192257.db2.gz FBPPNEFTGNNBSL-KBPBESRZSA-N 1 0 382.430 3.298 20 30 GGEDRO COC(=O)COc1cccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000265172876 1434194108 /nfs/dbraw/zinc/19/41/08/1434194108.db2.gz JIPAZPPVCDAXEZ-UHFFFAOYSA-N 1 0 398.459 3.219 20 30 GGEDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000265182925 1434195510 /nfs/dbraw/zinc/19/55/10/1434195510.db2.gz NKONTNCBGWSDLK-ICSRJNTNSA-N 1 0 379.508 3.200 20 30 GGEDRO COC1CCC([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000265194091 1434197276 /nfs/dbraw/zinc/19/72/76/1434197276.db2.gz IANNYNUEDVKGQA-UHFFFAOYSA-N 1 0 398.507 3.446 20 30 GGEDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc(OC)c1OC ZINC000265231251 1434204042 /nfs/dbraw/zinc/20/40/42/1434204042.db2.gz VAOBCBPDVAGIHE-KSSFIOAISA-N 1 0 395.459 3.040 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265656122 1434253840 /nfs/dbraw/zinc/25/38/40/1434253840.db2.gz QKYILPDTKMAEAE-LJQANCHMSA-N 1 0 398.551 3.281 20 30 GGEDRO COc1ccc(C[NH2+]CCCNC(=O)c2occc2C)cc1OCCCC#N ZINC000265709448 1434259193 /nfs/dbraw/zinc/25/91/93/1434259193.db2.gz VJKGZRXCTYQFQJ-UHFFFAOYSA-N 1 0 385.464 3.189 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2c(C#N)nnc3ccccc32)cc1 ZINC000265798475 1434266174 /nfs/dbraw/zinc/26/61/74/1434266174.db2.gz BHTCEKMCJGENBS-UHFFFAOYSA-N 1 0 389.459 3.365 20 30 GGEDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265876431 1434276798 /nfs/dbraw/zinc/27/67/98/1434276798.db2.gz WZBIIPDZAUESTE-YJBOKZPZSA-N 1 0 386.496 3.122 20 30 GGEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000266148341 1434306899 /nfs/dbraw/zinc/30/68/99/1434306899.db2.gz MZVGDWOLNLBUSN-IBGZPJMESA-N 1 0 384.524 3.046 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)cc1 ZINC000266171569 1434308235 /nfs/dbraw/zinc/30/82/35/1434308235.db2.gz RJYDTBJKYPOAJR-QFIPXVFZSA-N 1 0 375.472 3.017 20 30 GGEDRO COc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(C#N)cc2)cc(OC)c1OC ZINC000266503733 1434344494 /nfs/dbraw/zinc/34/44/94/1434344494.db2.gz XKQHABFBESJTIF-CQSZACIVSA-N 1 0 383.448 3.263 20 30 GGEDRO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000266513121 1434345349 /nfs/dbraw/zinc/34/53/49/1434345349.db2.gz YCJJMTQJFICOGP-HOTGVXAUSA-N 1 0 381.476 3.273 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OCC#N)cc1 ZINC000266840203 1434380796 /nfs/dbraw/zinc/38/07/96/1434380796.db2.gz GPFQUVKVMQHVFO-CVEARBPZSA-N 1 0 387.505 3.251 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OCC#N)cc1 ZINC000266840206 1434380857 /nfs/dbraw/zinc/38/08/57/1434380857.db2.gz GPFQUVKVMQHVFO-HOTGVXAUSA-N 1 0 387.505 3.251 20 30 GGEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NCc1ccnc(N2CCCC2)c1 ZINC000266976196 1434394984 /nfs/dbraw/zinc/39/49/84/1434394984.db2.gz JNWRSIFIELVEGW-UHFFFAOYSA-N 1 0 377.414 3.305 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000266988569 1434396402 /nfs/dbraw/zinc/39/64/02/1434396402.db2.gz WTYPSAACMAEYBX-FXAWDEMLSA-N 1 0 398.894 3.216 20 30 GGEDRO [NH2+]=C(NCc1cccc(C(=O)NC2CC2)c1)NCc1cccc(C(F)(F)F)c1 ZINC000266996136 1434397136 /nfs/dbraw/zinc/39/71/36/1434397136.db2.gz XSIZKHKZDVFUCU-UHFFFAOYSA-N 1 0 390.409 3.202 20 30 GGEDRO Cc1cc(C)c(NC(=O)CON=C(N)c2ccc(C[NH+](C)C)cc2)c(Cl)c1 ZINC000267003507 1434398092 /nfs/dbraw/zinc/39/80/92/1434398092.db2.gz IOGFHUAHGIBYQK-UHFFFAOYSA-N 1 0 388.899 3.294 20 30 GGEDRO C[NH+]1CCC(O)(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000267068757 1434405017 /nfs/dbraw/zinc/40/50/17/1434405017.db2.gz HSSGMNVHOTUBSE-UHFFFAOYSA-N 1 0 399.878 3.190 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)CC1 ZINC000267115413 1434408389 /nfs/dbraw/zinc/40/83/89/1434408389.db2.gz SEKHIFOEPRINOT-UHFFFAOYSA-N 1 0 375.375 3.227 20 30 GGEDRO C=CCc1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc(OC)c1OC ZINC000267204212 1434414017 /nfs/dbraw/zinc/41/40/17/1434414017.db2.gz DOSFSAIWEUOQKU-UHFFFAOYSA-N 1 0 390.524 3.005 20 30 GGEDRO C[NH+](C)CCCOC1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000267277630 1434418934 /nfs/dbraw/zinc/41/89/34/1434418934.db2.gz REWAGBAOJQIGGD-UHFFFAOYSA-N 1 0 387.524 3.067 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cc(C)c(F)cc1F)[n+]1cccc(CO)c1 ZINC000267302268 1434421041 /nfs/dbraw/zinc/42/10/41/1434421041.db2.gz KICTWVSVBQWMBT-CYBMUJFWSA-O 1 0 393.479 3.380 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1ccc([S@](C)=O)cc1)C(C)C ZINC000267333656 1434423555 /nfs/dbraw/zinc/42/35/55/1434423555.db2.gz MHTNWUINLYDLBM-DCFHFQCYSA-N 1 0 391.581 3.264 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc(F)c(C)c2)C(=S)NC2CCOCC2)cc1 ZINC000267340370 1434424216 /nfs/dbraw/zinc/42/42/16/1434424216.db2.gz HRCZALOLIXDBCU-UHFFFAOYSA-O 1 0 387.500 3.437 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCCC2CCN(CC(F)(F)F)CC2)cc1OC ZINC000267390008 1434428562 /nfs/dbraw/zinc/42/85/62/1434428562.db2.gz CPBCYRCZVQKZLY-UHFFFAOYSA-N 1 0 388.434 3.095 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)c2ccc(OC)c(OC)c2)cc1OC ZINC000267396585 1434429027 /nfs/dbraw/zinc/42/90/27/1434429027.db2.gz FFGIKFVYXIRUTN-UHFFFAOYSA-N 1 0 387.480 3.425 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000267492600 1434440488 /nfs/dbraw/zinc/44/04/88/1434440488.db2.gz WLSNNPKAQUJEAW-GCJKJVERSA-N 1 0 377.488 3.158 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-n2cccn2)cc1 ZINC000267725573 1434458701 /nfs/dbraw/zinc/45/87/01/1434458701.db2.gz VSRNNFJRWJBHQB-KDOFPFPSSA-N 1 0 377.473 3.262 20 30 GGEDRO N#Cc1cc(F)c(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c(F)c1 ZINC000267966393 1434481968 /nfs/dbraw/zinc/48/19/68/1434481968.db2.gz NWTPDJZIUYOBOZ-UHFFFAOYSA-N 1 0 381.426 3.499 20 30 GGEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c1 ZINC000268009731 1434486732 /nfs/dbraw/zinc/48/67/32/1434486732.db2.gz DTXCPRGCJKFZCI-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO CCc1nnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c(C#N)c1CC ZINC000268144111 1434497515 /nfs/dbraw/zinc/49/75/15/1434497515.db2.gz DCKUVMHQKDPIPP-UHFFFAOYSA-N 1 0 383.525 3.018 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C)cc2O[C@H]2CCOC2)cc1OC ZINC000268228464 1434503678 /nfs/dbraw/zinc/50/36/78/1434503678.db2.gz UQINUMZFZRYMSY-KRWDZBQOSA-N 1 0 385.464 3.107 20 30 GGEDRO Cc1nnc([C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)[nH]1 ZINC000268498247 1434527790 /nfs/dbraw/zinc/52/77/90/1434527790.db2.gz RSGSALQVAAAACQ-AWEZNQCLSA-N 1 0 398.536 3.133 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)/C=C/c3ccc(C#N)cc3)nc2)CC1 ZINC000268801515 1434558515 /nfs/dbraw/zinc/55/85/15/1434558515.db2.gz ZFXPZNUWHIQWQM-JXMROGBWSA-N 1 0 375.476 3.136 20 30 GGEDRO N#Cc1ccnc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268889419 1434567809 /nfs/dbraw/zinc/56/78/09/1434567809.db2.gz XWNWALKXRCJFNN-MOPGFXCFSA-N 1 0 377.448 3.352 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(Cl)c1 ZINC000269083983 1434589953 /nfs/dbraw/zinc/58/99/53/1434589953.db2.gz IPAGWLBRXSGBKR-IBGZPJMESA-N 1 0 396.878 3.103 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000269132624 1434595657 /nfs/dbraw/zinc/59/56/57/1434595657.db2.gz LQMAUQYXBJAQBC-WMLDXEAASA-N 1 0 378.904 3.470 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000269132621 1434595732 /nfs/dbraw/zinc/59/57/32/1434595732.db2.gz LQMAUQYXBJAQBC-PBHICJAKSA-N 1 0 378.904 3.470 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000269130779 1434595758 /nfs/dbraw/zinc/59/57/58/1434595758.db2.gz VLMVDLAKYDQRHM-HUUCEWRRSA-N 1 0 390.915 3.024 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(Cl)c1 ZINC000269146804 1434597286 /nfs/dbraw/zinc/59/72/86/1434597286.db2.gz PPYQBRDESDEMFV-PKOBYXMFSA-N 1 0 398.894 3.216 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269358750 1434630674 /nfs/dbraw/zinc/63/06/74/1434630674.db2.gz TZAORJKHWXQCCY-SJORKVTESA-N 1 0 397.972 3.477 20 30 GGEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000269459865 1434648933 /nfs/dbraw/zinc/64/89/33/1434648933.db2.gz XSALEONBLJMJMP-IYBDPMFKSA-N 1 0 381.451 3.237 20 30 GGEDRO C#CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000269602494 1434662628 /nfs/dbraw/zinc/66/26/28/1434662628.db2.gz IYDUIKRYJTYWAX-GOSISDBHSA-N 1 0 392.503 3.118 20 30 GGEDRO [NH2+]=C(NCc1cccc(C(=O)NC2CC2)c1)Nc1ccccc1OC(F)(F)F ZINC000269663836 1434667840 /nfs/dbraw/zinc/66/78/40/1434667840.db2.gz XBZKFTMXPMYXOB-UHFFFAOYSA-N 1 0 392.381 3.404 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc(F)c(C)c2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000269698109 1434670165 /nfs/dbraw/zinc/67/01/65/1434670165.db2.gz KSFBSXKAQARJNG-MRXNPFEDSA-O 1 0 387.500 3.295 20 30 GGEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)C1 ZINC000269854855 1434681604 /nfs/dbraw/zinc/68/16/04/1434681604.db2.gz SBNCDNHLPZGSDD-HNNXBMFYSA-N 1 0 387.484 3.322 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000269866376 1434682715 /nfs/dbraw/zinc/68/27/15/1434682715.db2.gz WNOKZQDTDSAJCS-KDOFPFPSSA-N 1 0 385.468 3.075 20 30 GGEDRO C=C(C)[C@H](CC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)OCC ZINC000270017256 1434693686 /nfs/dbraw/zinc/69/36/86/1434693686.db2.gz CPZYUIYRCWQWQK-FQEVSTJZSA-N 1 0 378.488 3.156 20 30 GGEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)OCC ZINC000270041656 1434695688 /nfs/dbraw/zinc/69/56/88/1434695688.db2.gz JMSOQKSIKROCRS-LJQANCHMSA-N 1 0 388.512 3.212 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000270268454 1434718101 /nfs/dbraw/zinc/71/81/01/1434718101.db2.gz SUSONWDAABHCBX-LJQANCHMSA-N 1 0 381.524 3.251 20 30 GGEDRO C#CC[C@H](NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000270411477 1434731282 /nfs/dbraw/zinc/73/12/82/1434731282.db2.gz LMNFFGILEJMMTH-KNKQGSTJSA-N 1 0 383.536 3.282 20 30 GGEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000270521606 1434740892 /nfs/dbraw/zinc/74/08/92/1434740892.db2.gz SGUIABXDUCQKTB-UHFFFAOYSA-N 1 0 389.931 3.234 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000270561956 1434744950 /nfs/dbraw/zinc/74/49/50/1434744950.db2.gz KOXALALLPIXYQJ-JOCHJYFZSA-N 1 0 377.488 3.266 20 30 GGEDRO C=C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000270821074 1434778767 /nfs/dbraw/zinc/77/87/67/1434778767.db2.gz IEVGNZDNYCRZHI-AKIFATBCSA-N 1 0 378.516 3.346 20 30 GGEDRO C=C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000270821079 1434778778 /nfs/dbraw/zinc/77/87/78/1434778778.db2.gz IEVGNZDNYCRZHI-PUHATCMVSA-N 1 0 378.516 3.346 20 30 GGEDRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccc(C#N)cc1 ZINC000270887773 1434785395 /nfs/dbraw/zinc/78/53/95/1434785395.db2.gz PUWDLTXDMHUCPS-KRWDZBQOSA-N 1 0 377.488 3.254 20 30 GGEDRO C#CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1 ZINC000271113957 1434802936 /nfs/dbraw/zinc/80/29/36/1434802936.db2.gz JMHIBWCRNOJETC-HSZRJFAPSA-N 1 0 376.500 3.385 20 30 GGEDRO C[C@@]1(CCCO)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000271189169 1434807190 /nfs/dbraw/zinc/80/71/90/1434807190.db2.gz LHXKZLSPUMJYEQ-FQEVSTJZSA-N 1 0 375.538 3.454 20 30 GGEDRO COCCCOC1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000271195635 1434807539 /nfs/dbraw/zinc/80/75/39/1434807539.db2.gz NUDCQIFELUMWCY-UHFFFAOYSA-N 1 0 376.497 3.395 20 30 GGEDRO CCOC(=O)c1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000271205788 1434808007 /nfs/dbraw/zinc/80/80/07/1434808007.db2.gz YELYOYRARXBCDB-UHFFFAOYSA-N 1 0 381.432 3.179 20 30 GGEDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)[nH]1 ZINC000271254482 1434811190 /nfs/dbraw/zinc/81/11/90/1434811190.db2.gz FLZCMWPWOACYFI-SFHVURJKSA-N 1 0 375.480 3.270 20 30 GGEDRO C#CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000271426653 1434823662 /nfs/dbraw/zinc/82/36/62/1434823662.db2.gz COUNNFXFSVUPGA-GCJKJVERSA-N 1 0 398.528 3.123 20 30 GGEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000271457853 1434826478 /nfs/dbraw/zinc/82/64/78/1434826478.db2.gz HABPLSOUVBGWFK-GCJKJVERSA-N 1 0 398.528 3.123 20 30 GGEDRO CC[N@@H+]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000271502483 1434830138 /nfs/dbraw/zinc/83/01/38/1434830138.db2.gz FMUQSHQLQSACCW-UHFFFAOYSA-N 1 0 391.475 3.370 20 30 GGEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271536581 1434832814 /nfs/dbraw/zinc/83/28/14/1434832814.db2.gz XOTLBEJKYOCOMM-ZDUSSCGKSA-N 1 0 380.416 3.436 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000271613210 1434839133 /nfs/dbraw/zinc/83/91/33/1434839133.db2.gz BNNGVGJADYMOQF-KRWDZBQOSA-N 1 0 390.487 3.086 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000271642148 1434841313 /nfs/dbraw/zinc/84/13/13/1434841313.db2.gz CPXSVPSBQYWYTA-ROUUACIJSA-N 1 0 380.492 3.319 20 30 GGEDRO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000271644223 1434841368 /nfs/dbraw/zinc/84/13/68/1434841368.db2.gz HUADHZZJTASYQM-MRXNPFEDSA-N 1 0 378.476 3.330 20 30 GGEDRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000271643001 1434841385 /nfs/dbraw/zinc/84/13/85/1434841385.db2.gz HJYAGRHZQAOQCU-HNNXBMFYSA-N 1 0 385.489 3.031 20 30 GGEDRO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271646891 1434841724 /nfs/dbraw/zinc/84/17/24/1434841724.db2.gz AHDWRIOZFSOVOB-UHFFFAOYSA-N 1 0 385.414 3.397 20 30 GGEDRO CSc1ccccc1NC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271679553 1434843560 /nfs/dbraw/zinc/84/35/60/1434843560.db2.gz PGZZMEVWXLXWJU-OAHLLOKOSA-N 1 0 396.516 3.028 20 30 GGEDRO CSc1ccccc1NC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000271679550 1434843591 /nfs/dbraw/zinc/84/35/91/1434843591.db2.gz PGZZMEVWXLXWJU-HNNXBMFYSA-N 1 0 396.516 3.028 20 30 GGEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1ccccc1 ZINC000271678548 1434843628 /nfs/dbraw/zinc/84/36/28/1434843628.db2.gz HVWKOJRDVQXYKP-NRFANRHFSA-N 1 0 377.488 3.461 20 30 GGEDRO C#CC[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 ZINC000271680062 1434843831 /nfs/dbraw/zinc/84/38/31/1434843831.db2.gz IFURFRRPNVESJC-NRFANRHFSA-N 1 0 377.488 3.461 20 30 GGEDRO CCCCOc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1OC ZINC000271703261 1434845046 /nfs/dbraw/zinc/84/50/46/1434845046.db2.gz UKVOHDXCINXQGS-QGZVFWFLSA-N 1 0 386.496 3.181 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000271702784 1434845074 /nfs/dbraw/zinc/84/50/74/1434845074.db2.gz DKYGPQZKNSWJKZ-UHFFFAOYSA-N 1 0 391.365 3.197 20 30 GGEDRO COc1ccc([C@H](CCO)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000271704206 1434845209 /nfs/dbraw/zinc/84/52/09/1434845209.db2.gz TYFQUESAODCILL-QFIPXVFZSA-N 1 0 395.503 3.272 20 30 GGEDRO C#CC[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000271718032 1434846096 /nfs/dbraw/zinc/84/60/96/1434846096.db2.gz POJBYHRWPBGYBV-OAQYLSRUSA-N 1 0 384.501 3.163 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)COc3ccc(C#N)cc3)cc2)CC1 ZINC000271723114 1434846254 /nfs/dbraw/zinc/84/62/54/1434846254.db2.gz XDXLLEWUFJKDGL-UHFFFAOYSA-N 1 0 378.476 3.106 20 30 GGEDRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271738231 1434847205 /nfs/dbraw/zinc/84/72/05/1434847205.db2.gz BSPUDCUQWZTJSZ-UHFFFAOYSA-N 1 0 393.487 3.203 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000271773799 1434849473 /nfs/dbraw/zinc/84/94/73/1434849473.db2.gz GOKJJXMBAFCQAF-OAHLLOKOSA-N 1 0 381.432 3.253 20 30 GGEDRO N#Cc1cccc(C2([NH2+]CC(=O)N(Cc3ccco3)CC(F)(F)F)CC2)c1 ZINC000271831408 1434853483 /nfs/dbraw/zinc/85/34/83/1434853483.db2.gz UJFKLAIDQLHGQT-UHFFFAOYSA-N 1 0 377.366 3.321 20 30 GGEDRO COc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000271871329 1434856100 /nfs/dbraw/zinc/85/61/00/1434856100.db2.gz MRBZCUGBCWTEEY-UHFFFAOYSA-N 1 0 380.448 3.229 20 30 GGEDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000271871411 1434856154 /nfs/dbraw/zinc/85/61/54/1434856154.db2.gz MRWXVAZXDBECNE-GOSISDBHSA-N 1 0 392.503 3.108 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000271878961 1434856787 /nfs/dbraw/zinc/85/67/87/1434856787.db2.gz OWXMDFFRKNHOMK-UHFFFAOYSA-N 1 0 390.531 3.149 20 30 GGEDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271926716 1434859734 /nfs/dbraw/zinc/85/97/34/1434859734.db2.gz GUGAAHSYKHGLNJ-OAHLLOKOSA-N 1 0 389.496 3.376 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000271931692 1434860122 /nfs/dbraw/zinc/86/01/22/1434860122.db2.gz LKKDIRGLFSYGPV-KBPBESRZSA-N 1 0 375.469 3.359 20 30 GGEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)ccc1OCC(=O)N(C)C ZINC000271933665 1434860293 /nfs/dbraw/zinc/86/02/93/1434860293.db2.gz JIPCRSZVBCRIQJ-CQSZACIVSA-N 1 0 385.439 3.024 20 30 GGEDRO C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271955890 1434861670 /nfs/dbraw/zinc/86/16/70/1434861670.db2.gz PZNKYWCPBSWVDH-KRWDZBQOSA-N 1 0 383.467 3.259 20 30 GGEDRO CS(=O)(=O)Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000271973480 1434862913 /nfs/dbraw/zinc/86/29/13/1434862913.db2.gz DWRCRRHKLIEJMK-UHFFFAOYSA-N 1 0 383.517 3.179 20 30 GGEDRO CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271981049 1434863345 /nfs/dbraw/zinc/86/33/45/1434863345.db2.gz OWNBDTFJYYIMGM-FCHUYYIVSA-N 1 0 398.551 3.369 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc(-c2nnc(COC)o2)c1)C(C)C ZINC000271983514 1434863464 /nfs/dbraw/zinc/86/34/64/1434863464.db2.gz ZSURHXGHNWIWIO-LJQANCHMSA-N 1 0 398.507 3.311 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)Cc1ccccc1 ZINC000272026003 1434867065 /nfs/dbraw/zinc/86/70/65/1434867065.db2.gz CVOYVOGRLSIEMY-IBGZPJMESA-N 1 0 382.512 3.180 20 30 GGEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1CCC#N ZINC000272036832 1434867864 /nfs/dbraw/zinc/86/78/64/1434867864.db2.gz FGGMDSHQWFWKSO-QFBILLFUSA-N 1 0 380.496 3.280 20 30 GGEDRO Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1CCC#N ZINC000272036825 1434867915 /nfs/dbraw/zinc/86/79/15/1434867915.db2.gz FGGMDSHQWFWKSO-APWZRJJASA-N 1 0 380.496 3.280 20 30 GGEDRO Cn1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000272100121 1434871986 /nfs/dbraw/zinc/87/19/86/1434871986.db2.gz GLICYMSHPMQZIF-GOSISDBHSA-N 1 0 378.451 3.039 20 30 GGEDRO Cn1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000272105109 1434872410 /nfs/dbraw/zinc/87/24/10/1434872410.db2.gz HYCQOGZZAUSRAR-UHFFFAOYSA-N 1 0 387.487 3.085 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)[NH+]1CCCC1 ZINC000272108773 1434872581 /nfs/dbraw/zinc/87/25/81/1434872581.db2.gz PWNYLUZMVXPRJQ-SFHVURJKSA-N 1 0 396.495 3.072 20 30 GGEDRO Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272116675 1434873154 /nfs/dbraw/zinc/87/31/54/1434873154.db2.gz RLIRKZMKAXNIGO-IBGZPJMESA-N 1 0 380.496 3.091 20 30 GGEDRO Cc1noc(C2CCC([NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000272198806 1434877579 /nfs/dbraw/zinc/87/75/79/1434877579.db2.gz LZYCXUVSJRCLJU-FAFZWHIHSA-N 1 0 379.464 3.061 20 30 GGEDRO C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272204617 1434877910 /nfs/dbraw/zinc/87/79/10/1434877910.db2.gz DKGJSAJSWBVVSJ-WIYYLYMNSA-N 1 0 377.488 3.158 20 30 GGEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@@H]2C1 ZINC000272273444 1434883295 /nfs/dbraw/zinc/88/32/95/1434883295.db2.gz CREMEFRKTKFXON-FUHWJXTLSA-N 1 0 381.505 3.163 20 30 GGEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000272294244 1434884965 /nfs/dbraw/zinc/88/49/65/1434884965.db2.gz QJXJXDMWDCHBGP-INIZCTEOSA-N 1 0 381.501 3.438 20 30 GGEDRO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000272309322 1434886270 /nfs/dbraw/zinc/88/62/70/1434886270.db2.gz FSASBCHCXXRXPI-AZUAARDMSA-N 1 0 377.529 3.157 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272363573 1434890526 /nfs/dbraw/zinc/89/05/26/1434890526.db2.gz FSVJRHNYSUTTAU-FXAWDEMLSA-N 1 0 382.508 3.059 20 30 GGEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@@H]2C1 ZINC000272380250 1434892130 /nfs/dbraw/zinc/89/21/30/1434892130.db2.gz BRQYKYPGZJMHRP-SIKLNZKXSA-N 1 0 375.472 3.303 20 30 GGEDRO Cc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272451185 1434897221 /nfs/dbraw/zinc/89/72/21/1434897221.db2.gz PQFZBSQGKPNJIQ-MJGOQNOKSA-N 1 0 380.496 3.137 20 30 GGEDRO C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272471201 1434898730 /nfs/dbraw/zinc/89/87/30/1434898730.db2.gz TUIUMVBYXWMWGW-NQIIRXRSSA-N 1 0 392.503 3.299 20 30 GGEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000272489328 1434899915 /nfs/dbraw/zinc/89/99/15/1434899915.db2.gz MYERYLLTXXHGLU-NVXWUHKLSA-N 1 0 386.496 3.122 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272509562 1434902131 /nfs/dbraw/zinc/90/21/31/1434902131.db2.gz WUNPZKLAKVURAL-GOSISDBHSA-N 1 0 387.491 3.334 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272513760 1434902680 /nfs/dbraw/zinc/90/26/80/1434902680.db2.gz HZPIMRSUDMKVOX-JOCHJYFZSA-N 1 0 387.487 3.193 20 30 GGEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000272540140 1434905992 /nfs/dbraw/zinc/90/59/92/1434905992.db2.gz ROZRIMLIJVJMCW-RDJZCZTQSA-N 1 0 386.496 3.122 20 30 GGEDRO COCC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000272601799 1434913543 /nfs/dbraw/zinc/91/35/43/1434913543.db2.gz XVBFQKOMPPQRSZ-FQEVSTJZSA-N 1 0 398.507 3.311 20 30 GGEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC000272681211 1434922191 /nfs/dbraw/zinc/92/21/91/1434922191.db2.gz RYPRGPNREMFTMP-JOCHJYFZSA-N 1 0 393.487 3.093 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272816197 1434933215 /nfs/dbraw/zinc/93/32/15/1434933215.db2.gz IAMXTKHJOBSFHG-HXUWFJFHSA-N 1 0 395.894 3.264 20 30 GGEDRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000272930015 1434941806 /nfs/dbraw/zinc/94/18/06/1434941806.db2.gz ZIYXYUXPJFRYFP-FXAWDEMLSA-N 1 0 385.508 3.201 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000273017399 1434950474 /nfs/dbraw/zinc/95/04/74/1434950474.db2.gz KILHNMCTUUJTKN-TZIWHRDSSA-N 1 0 381.501 3.004 20 30 GGEDRO CC(C)[C@H]1C[C@H](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273040007 1434953820 /nfs/dbraw/zinc/95/38/20/1434953820.db2.gz ZIUUJJRTJXTKCF-FGZHOGPDSA-N 1 0 383.536 3.434 20 30 GGEDRO CC(C)[C@@H]1C[C@@H](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273040025 1434953861 /nfs/dbraw/zinc/95/38/61/1434953861.db2.gz ZIUUJJRTJXTKCF-VXKWHMMOSA-N 1 0 383.536 3.434 20 30 GGEDRO N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273059571 1434956258 /nfs/dbraw/zinc/95/62/58/1434956258.db2.gz CWIZNOSUYMLQPI-MRXNPFEDSA-N 1 0 376.382 3.151 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000273074589 1434957640 /nfs/dbraw/zinc/95/76/40/1434957640.db2.gz BCKJBRCLSOBKFE-UHFFFAOYSA-N 1 0 386.496 3.066 20 30 GGEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000273097434 1434960607 /nfs/dbraw/zinc/96/06/07/1434960607.db2.gz PARYRQLFHMDFKZ-SFHVURJKSA-N 1 0 393.487 3.238 20 30 GGEDRO N#CCCCNC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000273157124 1434967296 /nfs/dbraw/zinc/96/72/96/1434967296.db2.gz MYIFKOUOCOKMNE-UHFFFAOYSA-N 1 0 391.519 3.112 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](CCOC)c2ccco2)c(OC)c1 ZINC000273322652 1434980780 /nfs/dbraw/zinc/98/07/80/1434980780.db2.gz XFIUBBVHDJPOPP-MSOLQXFVSA-N 1 0 375.465 3.124 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273468174 1434990638 /nfs/dbraw/zinc/99/06/38/1434990638.db2.gz FEXVVPOEAHFCSO-DZGCQCFKSA-N 1 0 392.525 3.183 20 30 GGEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[C@]12CCCO2 ZINC000273602053 1434999267 /nfs/dbraw/zinc/99/92/67/1434999267.db2.gz MARMXJRCYHSVKN-KCZVDYSFSA-N 1 0 380.492 3.280 20 30 GGEDRO COc1cc(-c2noc(COc3ccc(C#N)cc3)n2)ccc1OCC[NH+](C)C ZINC000273743727 1435010176 /nfs/dbraw/zinc/01/01/76/1435010176.db2.gz MIBDAKAZJXQVQW-UHFFFAOYSA-N 1 0 394.431 3.136 20 30 GGEDRO COc1cc(C#N)ccc1OCc1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000273865625 1435023250 /nfs/dbraw/zinc/02/32/50/1435023250.db2.gz MMALWZFKPHKFTQ-UHFFFAOYSA-N 1 0 394.431 3.136 20 30 GGEDRO C[NH+](C)CCOc1cccc(-c2noc(Cc3ccc(OCC#N)cc3)n2)c1 ZINC000273900806 1435026730 /nfs/dbraw/zinc/02/67/30/1435026730.db2.gz PIIBHOUOOFYYBI-UHFFFAOYSA-N 1 0 378.432 3.170 20 30 GGEDRO Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000274306003 1435059725 /nfs/dbraw/zinc/05/97/25/1435059725.db2.gz GTMSWRIRLNZLCP-MRXNPFEDSA-N 1 0 394.475 3.163 20 30 GGEDRO Cc1cc(NC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)nn1CCC#N ZINC000274445106 1435071648 /nfs/dbraw/zinc/07/16/48/1435071648.db2.gz UDDOYTGKBRJGGH-LJQANCHMSA-N 1 0 382.512 3.383 20 30 GGEDRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000274684969 1435085309 /nfs/dbraw/zinc/08/53/09/1435085309.db2.gz SSEGZUXVDLCRAJ-AEFFLSMTSA-N 1 0 389.496 3.093 20 30 GGEDRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000274684971 1435085447 /nfs/dbraw/zinc/08/54/47/1435085447.db2.gz SSEGZUXVDLCRAJ-SJLPKXTDSA-N 1 0 389.496 3.093 20 30 GGEDRO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000274684970 1435085525 /nfs/dbraw/zinc/08/55/25/1435085525.db2.gz SSEGZUXVDLCRAJ-FUHWJXTLSA-N 1 0 389.496 3.093 20 30 GGEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788823 1435092668 /nfs/dbraw/zinc/09/26/68/1435092668.db2.gz BOHAZDDEWPJURT-SVFBPWRDSA-N 1 0 382.552 3.218 20 30 GGEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796717 1435093183 /nfs/dbraw/zinc/09/31/83/1435093183.db2.gz DHEJYKRTBLRVFC-BBTUJRGHSA-N 1 0 376.504 3.385 20 30 GGEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796720 1435093400 /nfs/dbraw/zinc/09/34/00/1435093400.db2.gz DHEJYKRTBLRVFC-LVCYWYKZSA-N 1 0 376.504 3.385 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C(=O)C(F)(F)F)CC1)C(C)C ZINC000274809558 1435094561 /nfs/dbraw/zinc/09/45/61/1435094561.db2.gz BLWIQQYCTIVBRV-MRXNPFEDSA-N 1 0 389.462 3.238 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000275016667 1435109998 /nfs/dbraw/zinc/10/99/98/1435109998.db2.gz GCMBZCHHCJDLDS-AABGKKOBSA-N 1 0 393.478 3.259 20 30 GGEDRO COc1cccc([C@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+](C)C)c1 ZINC000275038035 1435111840 /nfs/dbraw/zinc/11/18/40/1435111840.db2.gz SJYQVVMUJOEERV-SFHVURJKSA-N 1 0 397.479 3.197 20 30 GGEDRO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000275071709 1435114328 /nfs/dbraw/zinc/11/43/28/1435114328.db2.gz AEYYYIBEDFVWGR-ZDUSSCGKSA-N 1 0 378.316 3.057 20 30 GGEDRO COC(=O)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000275144170 1435119012 /nfs/dbraw/zinc/11/90/12/1435119012.db2.gz PUEFSGFXXIEOQT-JOCHJYFZSA-N 1 0 393.487 3.035 20 30 GGEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)ccc1OC ZINC000275154138 1435119331 /nfs/dbraw/zinc/11/93/31/1435119331.db2.gz UQATZDZZPGGDPB-OAHLLOKOSA-N 1 0 386.414 3.151 20 30 GGEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000275247949 1435125630 /nfs/dbraw/zinc/12/56/30/1435125630.db2.gz PUUZOLQZGCIOEB-RTBURBONSA-N 1 0 384.480 3.104 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc3c(cc2OCC)OCCO3)CC1 ZINC000275336787 1435132491 /nfs/dbraw/zinc/13/24/91/1435132491.db2.gz XBCFURKKMBQSLC-UHFFFAOYSA-N 1 0 375.469 3.019 20 30 GGEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1O ZINC000275396200 1435136505 /nfs/dbraw/zinc/13/65/05/1435136505.db2.gz DGBXKSOLCHNYRH-QGZVFWFLSA-N 1 0 375.538 3.310 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](O)C(C)(C)C3)sc2C1 ZINC000275414342 1435137817 /nfs/dbraw/zinc/13/78/17/1435137817.db2.gz GPLPENCEZKICKI-DYVFJYSZSA-N 1 0 375.538 3.166 20 30 GGEDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C1)CCCC2 ZINC000275469392 1435141385 /nfs/dbraw/zinc/14/13/85/1435141385.db2.gz XMWSAHWTHYOFRP-BLRBJFNZSA-N 1 0 390.487 3.460 20 30 GGEDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000275509205 1435144428 /nfs/dbraw/zinc/14/44/28/1435144428.db2.gz KCTCBUNMXHQVKK-VXKWHMMOSA-N 1 0 388.471 3.491 20 30 GGEDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000275611782 1435152773 /nfs/dbraw/zinc/15/27/73/1435152773.db2.gz ILRRNAYKERBHST-UHFFFAOYSA-N 1 0 391.519 3.407 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1C#N ZINC000275725516 1435163236 /nfs/dbraw/zinc/16/32/36/1435163236.db2.gz OKBPPXMTNYXVKP-UHFFFAOYSA-N 1 0 390.487 3.472 20 30 GGEDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000275733072 1435163760 /nfs/dbraw/zinc/16/37/60/1435163760.db2.gz PEQUKXWBXICWGP-UHFFFAOYSA-N 1 0 394.475 3.050 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)c1 ZINC000275737145 1435164215 /nfs/dbraw/zinc/16/42/15/1435164215.db2.gz BJMGBFFAURNTKG-UHFFFAOYSA-N 1 0 381.476 3.323 20 30 GGEDRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000275789179 1435169528 /nfs/dbraw/zinc/16/95/28/1435169528.db2.gz YDJDDIFTBWQRGJ-UHFFFAOYSA-N 1 0 380.448 3.008 20 30 GGEDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1(C)C ZINC000275792188 1435169781 /nfs/dbraw/zinc/16/97/81/1435169781.db2.gz JCSSXQPQBXZQTN-FPOVZHCZSA-N 1 0 376.497 3.033 20 30 GGEDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1(C)C ZINC000275792191 1435169783 /nfs/dbraw/zinc/16/97/83/1435169783.db2.gz JCSSXQPQBXZQTN-PZJWPPBQSA-N 1 0 376.497 3.033 20 30 GGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275991100 1435184351 /nfs/dbraw/zinc/18/43/51/1435184351.db2.gz GFEMQYHCDPPXHM-XLIONFOSSA-N 1 0 379.508 3.054 20 30 GGEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ncccc1OCCCC#N ZINC000276050739 1435187827 /nfs/dbraw/zinc/18/78/27/1435187827.db2.gz INNKHQKHABFSMJ-UHFFFAOYSA-N 1 0 397.479 3.026 20 30 GGEDRO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000276126947 1435192626 /nfs/dbraw/zinc/19/26/26/1435192626.db2.gz BXGMPLRDVADGDP-OAQYLSRUSA-N 1 0 378.488 3.014 20 30 GGEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000276201449 1435197323 /nfs/dbraw/zinc/19/73/23/1435197323.db2.gz NPHRUHQIJKVHKF-UHFFFAOYSA-N 1 0 380.414 3.272 20 30 GGEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000276211582 1435197956 /nfs/dbraw/zinc/19/79/56/1435197956.db2.gz HGYVMTDQKKMGDC-MRXNPFEDSA-N 1 0 390.553 3.067 20 30 GGEDRO C#CCOc1cccc(NC(=O)C(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000276475934 1435213463 /nfs/dbraw/zinc/21/34/63/1435213463.db2.gz ZGENJYPRTIGPCM-UHFFFAOYSA-N 1 0 379.460 3.118 20 30 GGEDRO CCn1nccc1N1CCC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1=O ZINC000276616396 1435220606 /nfs/dbraw/zinc/22/06/06/1435220606.db2.gz CZRVJMGONOCHJT-KQVJYAISSA-N 1 0 391.519 3.392 20 30 GGEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000276837628 1435236491 /nfs/dbraw/zinc/23/64/91/1435236491.db2.gz BTYLJQQYDKYQSM-HXUWFJFHSA-N 1 0 379.508 3.017 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)c1 ZINC000276909708 1435242110 /nfs/dbraw/zinc/24/21/10/1435242110.db2.gz FNWYGFCKBVJDKK-OAQYLSRUSA-N 1 0 388.471 3.162 20 30 GGEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000277648695 1435318929 /nfs/dbraw/zinc/31/89/29/1435318929.db2.gz CRTYMYYHFKXKDS-UHFFFAOYSA-N 1 0 381.480 3.162 20 30 GGEDRO CC(C)(C#N)CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000277653672 1435319331 /nfs/dbraw/zinc/31/93/31/1435319331.db2.gz ILPWCQPOMNTBGQ-UHFFFAOYSA-N 1 0 381.517 3.288 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949202 1435345043 /nfs/dbraw/zinc/34/50/43/1435345043.db2.gz ZVVXMZVECRQQFD-LRDDRELGSA-N 1 0 389.805 3.175 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949199 1435345088 /nfs/dbraw/zinc/34/50/88/1435345088.db2.gz ZVVXMZVECRQQFD-BLLLJJGKSA-N 1 0 389.805 3.175 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278039228 1435352702 /nfs/dbraw/zinc/35/27/02/1435352702.db2.gz CDXLGIJVWWXGLM-GOSISDBHSA-N 1 0 397.441 3.355 20 30 GGEDRO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000278092208 1435358414 /nfs/dbraw/zinc/35/84/14/1435358414.db2.gz YIKNNEXNKJXQFR-BLLLJJGKSA-N 1 0 397.401 3.306 20 30 GGEDRO C#CC[NH+]1CCC(c2nc(-c3cc(Cl)ccc3OCCOC)no2)CC1 ZINC000278134701 1435362999 /nfs/dbraw/zinc/36/29/99/1435362999.db2.gz QFGQVZLPBRBPCY-UHFFFAOYSA-N 1 0 375.856 3.228 20 30 GGEDRO CC(C)(C#N)CC(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000278185542 1435367690 /nfs/dbraw/zinc/36/76/90/1435367690.db2.gz BLMBEQDGJJRFNH-UHFFFAOYSA-N 1 0 391.519 3.325 20 30 GGEDRO C#CC[NH+]1CCC(c2nc(-c3cc(Cl)ccc3O[C@H]3CCOC3)no2)CC1 ZINC000278199187 1435368743 /nfs/dbraw/zinc/36/87/43/1435368743.db2.gz VNDSKJZKPOVOAO-INIZCTEOSA-N 1 0 387.867 3.370 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278282657 1435376277 /nfs/dbraw/zinc/37/62/77/1435376277.db2.gz KGRIDVZRTODNFU-HNNXBMFYSA-N 1 0 397.441 3.309 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2nccs2)C(=S)NC[C@H]2CCCCO2)cc1 ZINC000278327029 1435380247 /nfs/dbraw/zinc/38/02/47/1435380247.db2.gz UNGWQHDESKJQKS-OAHLLOKOSA-O 1 0 390.554 3.091 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2nccs2)C(=S)NC[C@@H]2CCCCO2)cc1 ZINC000278327027 1435380326 /nfs/dbraw/zinc/38/03/26/1435380326.db2.gz UNGWQHDESKJQKS-HNNXBMFYSA-O 1 0 390.554 3.091 20 30 GGEDRO CC1CCC2(CC1)OC[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)O2 ZINC000278559050 1435400041 /nfs/dbraw/zinc/40/00/41/1435400041.db2.gz CGHGSAGKCOFYAV-DHHCDUQHSA-N 1 0 395.507 3.270 20 30 GGEDRO N#CCCn1cc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c(-c2ccncc2)n1 ZINC000278562691 1435400220 /nfs/dbraw/zinc/40/02/20/1435400220.db2.gz CPEDZQFGFRSNQM-UHFFFAOYSA-N 1 0 389.459 3.310 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc4c(c3)N(C(N)=O)CC4)CC2)cc1 ZINC000278567270 1435400906 /nfs/dbraw/zinc/40/09/06/1435400906.db2.gz GCQQOSAEWNBJMH-UHFFFAOYSA-N 1 0 375.476 3.076 20 30 GGEDRO COc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1[N+](=O)[O-] ZINC000278590997 1435403016 /nfs/dbraw/zinc/40/30/16/1435403016.db2.gz GVAREPKIQSIYFD-UHFFFAOYSA-N 1 0 392.419 3.065 20 30 GGEDRO COc1ccc(OC)c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278648503 1435410097 /nfs/dbraw/zinc/41/00/97/1435410097.db2.gz MCYHCXZHKYZXJP-UHFFFAOYSA-N 1 0 377.448 3.166 20 30 GGEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278650665 1435410112 /nfs/dbraw/zinc/41/01/12/1435410112.db2.gz MISCVVQZVRBRKP-GOSISDBHSA-N 1 0 380.540 3.459 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c(-c2ccncc2)n1 ZINC000278668280 1435412248 /nfs/dbraw/zinc/41/22/48/1435412248.db2.gz NXSHSDNGQXGUMK-LJQANCHMSA-N 1 0 399.857 3.474 20 30 GGEDRO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1OCCCC#N ZINC000278683786 1435413880 /nfs/dbraw/zinc/41/38/80/1435413880.db2.gz OAGMVQWCHBNREJ-GOSISDBHSA-N 1 0 387.524 3.063 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCOc2ccc(F)c(F)c2)c(-c2ccncc2)n1 ZINC000278685405 1435414128 /nfs/dbraw/zinc/41/41/28/1435414128.db2.gz PJSFWZQFVDZTKE-UHFFFAOYSA-N 1 0 383.402 3.306 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)n1 ZINC000278687114 1435414129 /nfs/dbraw/zinc/41/41/29/1435414129.db2.gz BJWGLHHKVABCEQ-GOSISDBHSA-N 1 0 381.524 3.177 20 30 GGEDRO C[NH+](C)CCOc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278690077 1435414339 /nfs/dbraw/zinc/41/43/39/1435414339.db2.gz PUPFNVUQKMGSDZ-UHFFFAOYSA-N 1 0 390.491 3.411 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@@H](CCCO)c2ccccc2)c(-c2ccncc2)n1 ZINC000278731344 1435418086 /nfs/dbraw/zinc/41/80/86/1435418086.db2.gz UKUCOQOJMVXIIZ-NRFANRHFSA-N 1 0 375.476 3.462 20 30 GGEDRO N#CCCn1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c(-c2ccncc2)n1 ZINC000278729140 1435418196 /nfs/dbraw/zinc/41/81/96/1435418196.db2.gz UJSDONRAGYNLGO-UHFFFAOYSA-N 1 0 387.491 3.144 20 30 GGEDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278733395 1435418533 /nfs/dbraw/zinc/41/85/33/1435418533.db2.gz UPBRANBQBUOYEB-UTKZUKDTSA-N 1 0 375.476 3.461 20 30 GGEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccsc1 ZINC000278778396 1435422854 /nfs/dbraw/zinc/42/28/54/1435422854.db2.gz YVUGWHAGBWDZSQ-IBGZPJMESA-N 1 0 380.521 3.313 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc4c(c3)N(C(N)=O)CCC4)CC2)cc1 ZINC000278780432 1435422893 /nfs/dbraw/zinc/42/28/93/1435422893.db2.gz UZZFWITVNHDYDM-UHFFFAOYSA-N 1 0 389.503 3.466 20 30 GGEDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278833803 1435428909 /nfs/dbraw/zinc/42/89/09/1435428909.db2.gz AFHWIRMTKLSQSP-SFHVURJKSA-N 1 0 395.507 3.412 20 30 GGEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCO1 ZINC000279157577 1435465998 /nfs/dbraw/zinc/46/59/98/1435465998.db2.gz ZMABUCQAUOUSFZ-DLBZAZTESA-N 1 0 391.537 3.001 20 30 GGEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCO1 ZINC000279157584 1435466015 /nfs/dbraw/zinc/46/60/15/1435466015.db2.gz ZMABUCQAUOUSFZ-IRXDYDNUSA-N 1 0 391.537 3.001 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCO)c1C#N ZINC000279233797 1435474805 /nfs/dbraw/zinc/47/48/05/1435474805.db2.gz JJFSLCFGBHPTRX-FPOVZHCZSA-N 1 0 394.519 3.104 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCO)c1C#N ZINC000279261147 1435478584 /nfs/dbraw/zinc/47/85/84/1435478584.db2.gz MEWSNXFIOGEFSB-JXFKEZNVSA-N 1 0 398.482 3.184 20 30 GGEDRO COc1ccc(OCC[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000279342082 1435488679 /nfs/dbraw/zinc/48/86/79/1435488679.db2.gz FEVUMPMFOKOGIP-UHFFFAOYSA-N 1 0 391.475 3.378 20 30 GGEDRO N#CCCn1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345808 1435488960 /nfs/dbraw/zinc/48/89/60/1435488960.db2.gz FNLZHZMXANQBII-UGKGYDQZSA-N 1 0 390.535 3.307 20 30 GGEDRO N#CCCn1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345792 1435489064 /nfs/dbraw/zinc/48/90/64/1435489064.db2.gz FNLZHZMXANQBII-DENIHFKCSA-N 1 0 390.535 3.307 20 30 GGEDRO N#CCCn1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345803 1435489133 /nfs/dbraw/zinc/48/91/33/1435489133.db2.gz FNLZHZMXANQBII-SIKLNZKXSA-N 1 0 390.535 3.307 20 30 GGEDRO N#CCCn1cc(CN2CCC([NH+]3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000279349665 1435489603 /nfs/dbraw/zinc/48/96/03/1435489603.db2.gz FWPKQTGVSYBJNF-UHFFFAOYSA-N 1 0 378.524 3.309 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000279404542 1435495898 /nfs/dbraw/zinc/49/58/98/1435495898.db2.gz HJANACBVTINNEG-TZIWHRDSSA-N 1 0 393.535 3.101 20 30 GGEDRO C=C[C@@](C)(O)CC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279413422 1435496560 /nfs/dbraw/zinc/49/65/60/1435496560.db2.gz KRBGWTCZKWWMIK-IEBWSBKVSA-N 1 0 384.442 3.227 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000279453801 1435501177 /nfs/dbraw/zinc/50/11/77/1435501177.db2.gz GGGOWTLWNXNJRI-PMACEKPBSA-N 1 0 376.460 3.095 20 30 GGEDRO C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1n1ccnc1 ZINC000279490798 1435505235 /nfs/dbraw/zinc/50/52/35/1435505235.db2.gz XYSHYDDCBGBBKT-FXAWDEMLSA-N 1 0 375.480 3.138 20 30 GGEDRO CCOC(=O)CC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279503764 1435506784 /nfs/dbraw/zinc/50/67/84/1435506784.db2.gz ZPTAULFCBVJURC-UHFFFAOYSA-N 1 0 381.480 3.024 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000279578388 1435514887 /nfs/dbraw/zinc/51/48/87/1435514887.db2.gz UIENTBOYOVPGRQ-SFHVURJKSA-N 1 0 399.564 3.022 20 30 GGEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279665769 1435526203 /nfs/dbraw/zinc/52/62/03/1435526203.db2.gz ZFRXDEXFHLHDAV-YADHBBJMSA-N 1 0 378.520 3.211 20 30 GGEDRO C[NH+](C)CCn1c2cc(NC(=O)c3ccc(C(C)(C)C#N)cc3)ccc2oc1=O ZINC000279853228 1435552417 /nfs/dbraw/zinc/55/24/17/1435552417.db2.gz RXTJJIQRWKTLJA-UHFFFAOYSA-N 1 0 392.459 3.210 20 30 GGEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000279914906 1435562288 /nfs/dbraw/zinc/56/22/88/1435562288.db2.gz FMJFHRLYQFCGKW-UHFFFAOYSA-N 1 0 392.503 3.354 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000279941870 1435566959 /nfs/dbraw/zinc/56/69/59/1435566959.db2.gz HELLFGGZYAGYFS-UHFFFAOYSA-N 1 0 385.556 3.091 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@](C)(O)CC3)sc2C1 ZINC000280086657 1435589810 /nfs/dbraw/zinc/58/98/10/1435589810.db2.gz OFAIAVIBTXDTTN-VLIAUNLRSA-N 1 0 375.538 3.310 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000280181468 1435604533 /nfs/dbraw/zinc/60/45/33/1435604533.db2.gz AFDVOGAKGFFXAQ-SFHVURJKSA-N 1 0 399.988 3.329 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)CC1 ZINC000280260840 1435620648 /nfs/dbraw/zinc/62/06/48/1435620648.db2.gz FHRNZCFAWQKWMB-UHFFFAOYSA-N 1 0 381.476 3.269 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC2(CCOCC2)O1 ZINC000280382831 1435649375 /nfs/dbraw/zinc/64/93/75/1435649375.db2.gz FPCWZVMASDLLJZ-GOSISDBHSA-N 1 0 380.492 3.234 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(CCc2ccccn2)Cc2ccc(OC)cc2)CC1 ZINC000280383702 1435649460 /nfs/dbraw/zinc/64/94/60/1435649460.db2.gz ZDYBUWOWJGOKGU-UHFFFAOYSA-N 1 0 391.515 3.007 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000280475133 1435666823 /nfs/dbraw/zinc/66/68/23/1435666823.db2.gz CZXWTRUAOKWOGL-UHFFFAOYSA-N 1 0 391.566 3.266 20 30 GGEDRO Cc1cccc(CC2(O)CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)c1 ZINC000280539872 1435676059 /nfs/dbraw/zinc/67/60/59/1435676059.db2.gz PREZFBJFNQRCSV-UHFFFAOYSA-N 1 0 388.471 3.486 20 30 GGEDRO COC(=O)c1nc([C@H]2CCCN2CCC(=O)Nc2ccccc2C#N)sc1C ZINC000280544390 1435676696 /nfs/dbraw/zinc/67/66/96/1435676696.db2.gz TWMWKZRDHUIZBB-MRXNPFEDSA-N 1 0 398.488 3.276 20 30 GGEDRO Cc1cccc(CC2(O)CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000280578925 1435682912 /nfs/dbraw/zinc/68/29/12/1435682912.db2.gz SPDLSAULJNYXCW-UHFFFAOYSA-N 1 0 377.488 3.265 20 30 GGEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000280597296 1435685603 /nfs/dbraw/zinc/68/56/03/1435685603.db2.gz IZMJDPATSPLTNM-UHFFFAOYSA-N 1 0 392.381 3.483 20 30 GGEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000280861243 1435732281 /nfs/dbraw/zinc/73/22/81/1435732281.db2.gz QMYOKFGODHTKTJ-MOPGFXCFSA-N 1 0 378.501 3.255 20 30 GGEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)C1=O ZINC000280900625 1435738987 /nfs/dbraw/zinc/73/89/87/1435738987.db2.gz BNPLZDAIZDDSDA-IIBYNOLFSA-N 1 0 395.478 3.444 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000280951523 1435746669 /nfs/dbraw/zinc/74/66/69/1435746669.db2.gz XKQMZANWSKJVRL-JDFRZJQESA-N 1 0 389.464 3.323 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000280951526 1435746941 /nfs/dbraw/zinc/74/69/41/1435746941.db2.gz XKQMZANWSKJVRL-MRRJBJDNSA-N 1 0 389.464 3.323 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280976336 1435750315 /nfs/dbraw/zinc/75/03/15/1435750315.db2.gz RXWXTOJDVMMPIS-QIJUGHKUSA-N 1 0 378.520 3.354 20 30 GGEDRO C[NH+](C)CCOc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1Cl ZINC000281015946 1435756968 /nfs/dbraw/zinc/75/69/68/1435756968.db2.gz VLCRALHBFPOVJL-KRWDZBQOSA-N 1 0 396.878 3.473 20 30 GGEDRO CNC(=O)C[N@H+](CCCC1(C#N)CCOCC1)Cc1cccc(C(F)(F)F)c1 ZINC000281140540 1435783010 /nfs/dbraw/zinc/78/30/10/1435783010.db2.gz AQOVMUINRRBQGG-UHFFFAOYSA-N 1 0 397.441 3.354 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)c2)c1 ZINC000281294001 1435802771 /nfs/dbraw/zinc/80/27/71/1435802771.db2.gz PGMIPWNMRCKJNF-CTNGQTDRSA-N 1 0 377.444 3.068 20 30 GGEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000281306099 1435803245 /nfs/dbraw/zinc/80/32/45/1435803245.db2.gz UCVXPAQVZHMPER-UHFFFAOYSA-N 1 0 382.552 3.118 20 30 GGEDRO N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000281333393 1435804259 /nfs/dbraw/zinc/80/42/59/1435804259.db2.gz SCBMLRPYOIXYKX-OAQYLSRUSA-N 1 0 399.498 3.038 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000281352868 1435805115 /nfs/dbraw/zinc/80/51/15/1435805115.db2.gz DQDIUNJSHRIPJA-WWMYMODYSA-N 1 0 399.535 3.083 20 30 GGEDRO C=CCC[C@H]([NH2+]Cc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccccc1 ZINC000281360482 1435805570 /nfs/dbraw/zinc/80/55/70/1435805570.db2.gz SGKVWSXIWDAMET-FQEVSTJZSA-N 1 0 375.538 3.342 20 30 GGEDRO COc1cc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1C#N ZINC000281657285 1435817375 /nfs/dbraw/zinc/81/73/75/1435817375.db2.gz KLLNQOZYTNBRPS-CALCHBBNSA-N 1 0 393.487 3.106 20 30 GGEDRO C[N@@H+]1CCN(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1(C)C ZINC000281688582 1435818542 /nfs/dbraw/zinc/81/85/42/1435818542.db2.gz FXDMHXWSOZKCIG-UHFFFAOYSA-N 1 0 392.503 3.106 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC23CCOCC3)c(OC)c1 ZINC000281952682 1435828305 /nfs/dbraw/zinc/82/83/05/1435828305.db2.gz FPXASAHDERKEEU-NQIIRXRSSA-N 1 0 375.509 3.102 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000282106811 1435834815 /nfs/dbraw/zinc/83/48/15/1435834815.db2.gz WPNKYUFLUOJZTH-UHFFFAOYSA-N 1 0 380.492 3.309 20 30 GGEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000282172259 1435837295 /nfs/dbraw/zinc/83/72/95/1435837295.db2.gz DUPURFDNUNJYPH-FPOVZHCZSA-N 1 0 388.519 3.456 20 30 GGEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000282177831 1435837447 /nfs/dbraw/zinc/83/74/47/1435837447.db2.gz FFYPJXVTEAWBGF-FQEVSTJZSA-N 1 0 381.524 3.246 20 30 GGEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000282177834 1435837516 /nfs/dbraw/zinc/83/75/16/1435837516.db2.gz FFYPJXVTEAWBGF-HXUWFJFHSA-N 1 0 381.524 3.246 20 30 GGEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000282258959 1435840474 /nfs/dbraw/zinc/84/04/74/1435840474.db2.gz LLBPDNQJJACJPF-HXUWFJFHSA-N 1 0 383.540 3.349 20 30 GGEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000282284336 1435841663 /nfs/dbraw/zinc/84/16/63/1435841663.db2.gz NFXLIGUTXWQMTQ-SFHVURJKSA-N 1 0 399.539 3.220 20 30 GGEDRO C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000282301081 1435842258 /nfs/dbraw/zinc/84/22/58/1435842258.db2.gz OSFHEOAHPHICFU-FXAWDEMLSA-N 1 0 397.523 3.145 20 30 GGEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000282304834 1435842449 /nfs/dbraw/zinc/84/24/49/1435842449.db2.gz PALSLIUMWKCOKL-SFHVURJKSA-N 1 0 381.524 3.452 20 30 GGEDRO C=CCn1c(-c2ccccc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000282351145 1435844062 /nfs/dbraw/zinc/84/40/62/1435844062.db2.gz SIGQOHUGEXRGRI-UHFFFAOYSA-N 1 0 381.524 3.212 20 30 GGEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000282386893 1435845371 /nfs/dbraw/zinc/84/53/71/1435845371.db2.gz VOEMWJCEPCMUJQ-SFHVURJKSA-N 1 0 397.523 3.116 20 30 GGEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000282389335 1435845507 /nfs/dbraw/zinc/84/55/07/1435845507.db2.gz VTIVIHGOMXGUBS-FQEVSTJZSA-N 1 0 383.540 3.349 20 30 GGEDRO C=CCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000282403975 1435846015 /nfs/dbraw/zinc/84/60/15/1435846015.db2.gz WRVPVMBZCGCNMW-INIZCTEOSA-N 1 0 380.521 3.471 20 30 GGEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000282447251 1435847453 /nfs/dbraw/zinc/84/74/53/1435847453.db2.gz ZXPFIMJIJAPWAA-UHFFFAOYSA-N 1 0 376.508 3.457 20 30 GGEDRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)ccc1C#N ZINC000282448384 1435847590 /nfs/dbraw/zinc/84/75/90/1435847590.db2.gz UYQNDLVXVUASLN-UHFFFAOYSA-N 1 0 393.443 3.146 20 30 GGEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000282513984 1435849818 /nfs/dbraw/zinc/84/98/18/1435849818.db2.gz OVZYYQRGMXTSCK-QFIPXVFZSA-N 1 0 390.531 3.065 20 30 GGEDRO CC(C)c1nnc([C@@H]2COCCN2C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000282937376 1435866854 /nfs/dbraw/zinc/86/68/54/1435866854.db2.gz GGDQULXBLZPLBN-FQEVSTJZSA-N 1 0 395.507 3.103 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)ccc1OC ZINC000282948879 1435867216 /nfs/dbraw/zinc/86/72/16/1435867216.db2.gz XRLLLJLKNPSOGI-RXVVDRJESA-N 1 0 375.509 3.307 20 30 GGEDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000282966391 1435868128 /nfs/dbraw/zinc/86/81/28/1435868128.db2.gz IFLXSMWXWXJDSE-UHFFFAOYSA-N 1 0 390.447 3.441 20 30 GGEDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000283319786 1435884218 /nfs/dbraw/zinc/88/42/18/1435884218.db2.gz ZOXIXXATSDFJDL-ZNMIVQPWSA-N 1 0 377.510 3.197 20 30 GGEDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000283319783 1435884303 /nfs/dbraw/zinc/88/43/03/1435884303.db2.gz ZOXIXXATSDFJDL-RRFJBIMHSA-N 1 0 377.510 3.197 20 30 GGEDRO C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000283375321 1435886780 /nfs/dbraw/zinc/88/67/80/1435886780.db2.gz CSKSSBBVAXTPGG-PXNSSMCTSA-N 1 0 395.507 3.041 20 30 GGEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000283397652 1435887881 /nfs/dbraw/zinc/88/78/81/1435887881.db2.gz WHQSPYSOHHAEQV-RTBURBONSA-N 1 0 397.571 3.346 20 30 GGEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000283398134 1435887992 /nfs/dbraw/zinc/88/79/92/1435887992.db2.gz WKZTUDBVYCWYAU-QUCCMNQESA-N 1 0 378.524 3.369 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000283484153 1435891987 /nfs/dbraw/zinc/89/19/87/1435891987.db2.gz OOMLAFJCOWYWAG-QGZVFWFLSA-N 1 0 379.504 3.174 20 30 GGEDRO C[NH+](C)C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000283538889 1435894464 /nfs/dbraw/zinc/89/44/64/1435894464.db2.gz CSVURVIGKYXDJV-LJQANCHMSA-N 1 0 386.883 3.344 20 30 GGEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283581372 1435896538 /nfs/dbraw/zinc/89/65/38/1435896538.db2.gz KIRYTOJWEACEKD-UHFFFAOYSA-N 1 0 399.539 3.409 20 30 GGEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000283602343 1435897440 /nfs/dbraw/zinc/89/74/40/1435897440.db2.gz MDKFISAVBUWWAS-FQEVSTJZSA-N 1 0 397.571 3.028 20 30 GGEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000283602347 1435897464 /nfs/dbraw/zinc/89/74/64/1435897464.db2.gz MDKFISAVBUWWAS-HXUWFJFHSA-N 1 0 397.571 3.028 20 30 GGEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000283634414 1435898761 /nfs/dbraw/zinc/89/87/61/1435898761.db2.gz OSHAQTAKHDQJDS-UHFFFAOYSA-N 1 0 381.524 3.131 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC1(C)CC1)[n+]1ccc(N(C)C)cc1 ZINC000283754065 1435916954 /nfs/dbraw/zinc/91/69/54/1435916954.db2.gz AEAQFIHVJNIADU-UHFFFAOYSA-O 1 0 398.552 3.438 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000283976431 1435965672 /nfs/dbraw/zinc/96/56/72/1435965672.db2.gz OTQVHEBQTFXMSJ-GOSISDBHSA-N 1 0 377.916 3.064 20 30 GGEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000284151026 1435999745 /nfs/dbraw/zinc/99/97/45/1435999745.db2.gz WOHIWGYXTLJXFJ-UYAOXDASSA-N 1 0 376.508 3.290 20 30 GGEDRO O=C(NCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000284295258 1436010642 /nfs/dbraw/zinc/01/06/42/1436010642.db2.gz KMMYAGDALOXIGV-LHANULRTSA-N 1 0 393.409 3.458 20 30 GGEDRO CC(C)(C)c1ncc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000284363303 1436016148 /nfs/dbraw/zinc/01/61/48/1436016148.db2.gz NEQGASILLRWECP-UHFFFAOYSA-N 1 0 377.492 3.496 20 30 GGEDRO COc1ncc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000284411033 1436019599 /nfs/dbraw/zinc/01/95/99/1436019599.db2.gz QFYCGFIAEVAPCE-ACJLOTCBSA-N 1 0 384.867 3.067 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(C(=O)OC)cc2)C(=S)NC2(C)CC2)cc1 ZINC000284438304 1436021957 /nfs/dbraw/zinc/02/19/57/1436021957.db2.gz PEHLOWWKUBJQJA-UHFFFAOYSA-O 1 0 397.520 3.404 20 30 GGEDRO N#CCCN(C(=O)C[NH+]1CCC2(CCOCC2)CC1)c1cccc(Cl)c1 ZINC000284685708 1436040065 /nfs/dbraw/zinc/04/00/65/1436040065.db2.gz HFBHWALNSYZFHB-UHFFFAOYSA-N 1 0 375.900 3.479 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000284739405 1436044915 /nfs/dbraw/zinc/04/49/15/1436044915.db2.gz KSOXBWRPYSUKEB-CABCVRRESA-N 1 0 385.489 3.030 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2OC)cc1 ZINC000284809709 1436051932 /nfs/dbraw/zinc/05/19/32/1436051932.db2.gz QFNUPYJACRZHPU-OAHLLOKOSA-N 1 0 388.489 3.090 20 30 GGEDRO C[C@H]([NH2+]CC=CC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000824584886 1443787610 /nfs/dbraw/zinc/78/76/10/1443787610.db2.gz IXYRIIPHWTVJSQ-QCDWVSHVSA-N 1 0 387.491 3.296 20 30 GGEDRO C[C@@H]([NH2+]CCC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000824590278 1449521229 /nfs/dbraw/zinc/52/12/29/1449521229.db2.gz AYRANGDILKTCTI-CVEARBPZSA-N 1 0 375.480 3.130 20 30 GGEDRO C[C@@H]([NH2+]CC=CC[NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824584884 1450199861 /nfs/dbraw/zinc/19/98/61/1450199861.db2.gz IXYRIIPHWTVJSQ-OAZXXZECSA-N 1 0 387.491 3.296 20 30 GGEDRO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164400279 718843499 /nfs/dbraw/zinc/84/34/99/718843499.db2.gz VIJKULQHKZGEBX-JOCHJYFZSA-N 1 0 395.510 3.381 20 30 GGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@@H]43)c(Cl)nn2)cc1 ZINC001164411014 718877266 /nfs/dbraw/zinc/87/72/66/718877266.db2.gz LFJFWPAPVZQWFN-ZBFHGGJFSA-N 1 0 375.810 3.154 20 30 GGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4c(cc3C#N)CCCC4)CC2)CC1 ZINC001164616369 719031303 /nfs/dbraw/zinc/03/13/03/719031303.db2.gz ANNMPIHZTULOGD-UHFFFAOYSA-N 1 0 396.535 3.076 20 30 GGEDRO C=CCNC(=O)c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624361 719097423 /nfs/dbraw/zinc/09/74/23/719097423.db2.gz FMFBOGYDJDXVIW-PZJWPPBQSA-N 1 0 376.504 3.098 20 30 GGEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001164629363 719115590 /nfs/dbraw/zinc/11/55/90/719115590.db2.gz SBTRXTXSVJFKFX-KCJUWKMLSA-N 1 0 379.213 3.318 20 30 GGEDRO CC(C)N(C)Cc1nn(-c2cc(C#N)c3cc(Cl)ccc3n2)c2c1CC[NH2+]C2 ZINC001164679777 719649073 /nfs/dbraw/zinc/64/90/73/719649073.db2.gz MSDJRRAKEFCZCQ-UHFFFAOYSA-N 1 0 394.910 3.431 20 30 GGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4[nH]cc(C#N)c42)CC3)cs1 ZINC001164693395 719803140 /nfs/dbraw/zinc/80/31/40/719803140.db2.gz SNWLPFZHTDJLKD-UHFFFAOYSA-N 1 0 393.520 3.230 20 30 GGEDRO COc1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)ncc1C#N ZINC001164692240 719803356 /nfs/dbraw/zinc/80/33/56/719803356.db2.gz MCQQRGKUESXOPO-UHFFFAOYSA-N 1 0 383.521 3.362 20 30 GGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nnc(Cl)cc2C#N)CC3)cs1 ZINC001164694050 719805889 /nfs/dbraw/zinc/80/58/89/719805889.db2.gz WWSFSKACPCPZRL-UHFFFAOYSA-N 1 0 388.928 3.402 20 30 GGEDRO COc1cc(C#N)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164691965 719809753 /nfs/dbraw/zinc/80/97/53/719809753.db2.gz CMQIOJWVXTZOSG-UHFFFAOYSA-N 1 0 383.521 3.362 20 30 GGEDRO N#Cc1c[nH]c2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc12 ZINC001164696206 719893655 /nfs/dbraw/zinc/89/36/55/719893655.db2.gz BZSMBLOFNVYNPI-UHFFFAOYSA-N 1 0 393.516 3.367 20 30 GGEDRO N#Cc1cnc2cc[nH]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c1-2 ZINC001164696723 719896842 /nfs/dbraw/zinc/89/68/42/719896842.db2.gz HXYCRDDSCTXTAM-UHFFFAOYSA-N 1 0 393.516 3.367 20 30 GGEDRO N#Cc1cc2c(nc1N1CCC3(CC1)C[N@H+](Cc1cccs1)CCO3)CCC2 ZINC001164696176 719898617 /nfs/dbraw/zinc/89/86/17/719898617.db2.gz ANEBUSVZQGDVRG-UHFFFAOYSA-N 1 0 394.544 3.375 20 30 GGEDRO Cc1ccc(CC#N)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707733 719899473 /nfs/dbraw/zinc/89/94/73/719899473.db2.gz WUMVOOFGTAUGFS-UHFFFAOYSA-N 1 0 382.533 3.389 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(Cl)c(C)c1C#N)C2 ZINC001164806386 720075177 /nfs/dbraw/zinc/07/51/77/720075177.db2.gz BUIGTZXUMIKYIS-LAUBAEHRSA-N 1 0 388.943 3.408 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cl)c(C)c1C#N)C2 ZINC001164806388 720075504 /nfs/dbraw/zinc/07/55/04/720075504.db2.gz BUIGTZXUMIKYIS-UWJYYQICSA-N 1 0 388.943 3.408 20 30 GGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C#N)CC2 ZINC001164709573 720099538 /nfs/dbraw/zinc/09/95/38/720099538.db2.gz AXVCMPJPTXUHMB-OAQYLSRUSA-N 1 0 391.519 3.164 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc(C#N)cc31)C2 ZINC001164809120 720101912 /nfs/dbraw/zinc/10/19/12/720101912.db2.gz HCFKXZAJRQJZLY-REWPJTCUSA-N 1 0 376.504 3.291 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C3(C#N)CCC3)cn1)C2 ZINC001164813772 720115429 /nfs/dbraw/zinc/11/54/29/720115429.db2.gz QLBKNGXNAQUYCU-OFNKIYASSA-N 1 0 380.536 3.212 20 30 GGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C#N)cc(C)n1)CC2 ZINC001164714139 720152088 /nfs/dbraw/zinc/15/20/88/720152088.db2.gz WITJSXUVWKMWDW-OAQYLSRUSA-N 1 0 391.519 3.164 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C#C[Si](C)(C)C)ccn1)C2 ZINC001164813311 720196068 /nfs/dbraw/zinc/19/60/68/720196068.db2.gz OIQRVJKWMASVCG-FYYLOGMGSA-N 1 0 397.639 3.495 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(c1C#N)CCCC3)C2 ZINC001164814083 720201936 /nfs/dbraw/zinc/20/19/36/720201936.db2.gz SLAOUILQMULMRY-AUSIDOKSSA-N 1 0 380.536 3.017 20 30 GGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727866 720346096 /nfs/dbraw/zinc/34/60/96/720346096.db2.gz UROUMZRDLWVEHL-MOPGFXCFSA-N 1 0 390.878 3.403 20 30 GGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727881 720346843 /nfs/dbraw/zinc/34/68/43/720346843.db2.gz UROUMZRDLWVEHL-RTBURBONSA-N 1 0 390.878 3.403 20 30 GGEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726377 720430676 /nfs/dbraw/zinc/43/06/76/720430676.db2.gz BVLKHXLFWJJEMQ-YADHBBJMSA-N 1 0 382.471 3.263 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C#N)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832872 720504360 /nfs/dbraw/zinc/50/43/60/720504360.db2.gz BQTXLAZITIKLBA-FGTMMUONSA-N 1 0 384.915 3.181 20 30 GGEDRO Cc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C ZINC001164836752 720532276 /nfs/dbraw/zinc/53/22/76/720532276.db2.gz KVGPIXYJNMWJGM-NJDAHSKKSA-N 1 0 378.524 3.144 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3[nH]ccc4ncc(C#N)c3-4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835578 720584501 /nfs/dbraw/zinc/58/45/01/720584501.db2.gz BKNGBCPLCOKHQI-XKGZKEIXSA-N 1 0 389.507 3.009 20 30 GGEDRO C[Si](C)(C)C#Cc1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164738706 720593398 /nfs/dbraw/zinc/59/33/98/720593398.db2.gz CYNXOPSZNCKMIT-UHFFFAOYSA-N 1 0 393.611 3.166 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(CC#N)cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837210 720629655 /nfs/dbraw/zinc/62/96/55/720629655.db2.gz HPCOQAANDIMSPM-CMKODMSKSA-N 1 0 398.942 3.375 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164840356 720676791 /nfs/dbraw/zinc/67/67/91/720676791.db2.gz DFGPWWOOYWFJGC-OAQYLSRUSA-N 1 0 387.487 3.085 20 30 GGEDRO COc1cc(C#N)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839708 720693448 /nfs/dbraw/zinc/69/34/48/720693448.db2.gz BLDNQRAMFMJHOE-HXUWFJFHSA-N 1 0 392.503 3.222 20 30 GGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc3c(c1C#N)CCCC3)[C@@H]2C ZINC001164864440 721022844 /nfs/dbraw/zinc/02/28/44/721022844.db2.gz XNTKRQJLBXOGKG-MRXNPFEDSA-N 1 0 378.524 3.450 20 30 GGEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164767854 721292640 /nfs/dbraw/zinc/29/26/40/721292640.db2.gz ACUUKABEVCUPJU-UHFFFAOYSA-N 1 0 397.595 3.019 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900308 721513588 /nfs/dbraw/zinc/51/35/88/721513588.db2.gz QALVKJVFLNHBIY-DOTOQJQBSA-N 1 0 386.858 3.396 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900311 721513668 /nfs/dbraw/zinc/51/36/68/721513668.db2.gz QALVKJVFLNHBIY-WBVHZDCISA-N 1 0 386.858 3.396 20 30 GGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc(C#N)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164807789 721547727 /nfs/dbraw/zinc/54/77/27/721547727.db2.gz RHMALZIDQCKCRM-DNVJHFABSA-N 1 0 399.498 3.370 20 30 GGEDRO N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164903108 721552865 /nfs/dbraw/zinc/55/28/65/721552865.db2.gz AMDBBXHRJTZRIA-CTNGQTDRSA-N 1 0 392.478 3.313 20 30 GGEDRO N#CCc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164908171 721562188 /nfs/dbraw/zinc/56/21/88/721562188.db2.gz PQQCUHFAOUONBV-WMZOPIPTSA-N 1 0 386.858 3.282 20 30 GGEDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)cc1C#N ZINC001164906460 721565961 /nfs/dbraw/zinc/56/59/61/721565961.db2.gz JISJLEWEUCIJAB-SJLPKXTDSA-N 1 0 386.858 3.396 20 30 GGEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)cc1C#N ZINC001164906463 721566148 /nfs/dbraw/zinc/56/61/48/721566148.db2.gz JISJLEWEUCIJAB-WMZOPIPTSA-N 1 0 386.858 3.396 20 30 GGEDRO COc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1C#N ZINC001164906160 721584077 /nfs/dbraw/zinc/58/40/77/721584077.db2.gz ZDPFDUPJZCJMFG-HXUWFJFHSA-N 1 0 399.445 3.095 20 30 GGEDRO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C#N)c1 ZINC001164907428 721586148 /nfs/dbraw/zinc/58/61/48/721586148.db2.gz SLUGWASMJLHGOR-FQEVSTJZSA-N 1 0 383.446 3.394 20 30 GGEDRO N#Cc1cc(F)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906902 721691499 /nfs/dbraw/zinc/69/14/99/721691499.db2.gz PGWLNKRBWWHOOT-IBGZPJMESA-N 1 0 387.409 3.225 20 30 GGEDRO N#Cc1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1F ZINC001164908606 721704082 /nfs/dbraw/zinc/70/40/82/721704082.db2.gz YIIIEGQJFMYCTN-IBGZPJMESA-N 1 0 387.409 3.225 20 30 GGEDRO COc1cc(C#N)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904861 721708310 /nfs/dbraw/zinc/70/83/10/721708310.db2.gz DNSOSCMOAVCQEV-HXUWFJFHSA-N 1 0 399.445 3.095 20 30 GGEDRO N#Cc1c(F)ccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908246 721711167 /nfs/dbraw/zinc/71/11/67/721711167.db2.gz WRFNIPDMGRYJFW-IBGZPJMESA-N 1 0 387.409 3.225 20 30 GGEDRO N#CCc1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907763 721715785 /nfs/dbraw/zinc/71/57/85/721715785.db2.gz TZTHZCJFUIEUOX-FQEVSTJZSA-N 1 0 383.446 3.280 20 30 GGEDRO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165025110 721813120 /nfs/dbraw/zinc/81/31/20/721813120.db2.gz LKSMCEYYQACZNH-IPELMVKDSA-N 1 0 396.926 3.442 20 30 GGEDRO COc1cc(C#N)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026072 721813965 /nfs/dbraw/zinc/81/39/65/721813965.db2.gz PAKORTCIZSSFDY-DQLDELGASA-N 1 0 377.492 3.094 20 30 GGEDRO COc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(F)cc1C#N ZINC001165023119 721822080 /nfs/dbraw/zinc/82/20/80/721822080.db2.gz HLZKZYAKKJGTQT-QSFXBCCZSA-N 1 0 395.482 3.233 20 30 GGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(C#N)c2F)CC1 ZINC001165022280 721840706 /nfs/dbraw/zinc/84/07/06/721840706.db2.gz QTIUEBNYCVTPQN-UHFFFAOYSA-N 1 0 384.455 3.210 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(C)cc4C=NO)CC3)C2)cc1 ZINC001164939422 721929992 /nfs/dbraw/zinc/92/99/92/721929992.db2.gz KMFXBVMPHCSYMO-UHFFFAOYSA-N 1 0 394.519 3.378 20 30 GGEDRO Cc1cnc(N2CC[NH+](CCc3ccccn3)CC2)c(C#C[Si](C)(C)C)c1 ZINC001165055359 722016262 /nfs/dbraw/zinc/01/62/62/722016262.db2.gz GJZDIVDXFANFGH-UHFFFAOYSA-N 1 0 378.596 3.379 20 30 GGEDRO N#Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164960476 722051627 /nfs/dbraw/zinc/05/16/27/722051627.db2.gz OVQCTBDWNAQIIA-UHFFFAOYSA-N 1 0 397.910 3.121 20 30 GGEDRO N#Cc1cnc(Cl)cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960521 722052915 /nfs/dbraw/zinc/05/29/15/722052915.db2.gz RASBSYPHYURTJH-UHFFFAOYSA-N 1 0 397.910 3.121 20 30 GGEDRO N#Cc1c[nH]c2ncnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164993866 722191212 /nfs/dbraw/zinc/19/12/12/722191212.db2.gz IGBGAPPLSZXLKU-NRFANRHFSA-N 1 0 376.439 3.214 20 30 GGEDRO N#Cc1c[nH]c2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164993869 722191360 /nfs/dbraw/zinc/19/13/60/722191360.db2.gz IGBGAPPLSZXLKU-OAQYLSRUSA-N 1 0 376.439 3.214 20 30 GGEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995791 722197938 /nfs/dbraw/zinc/19/79/38/722197938.db2.gz YAWLKJJFEXWQRV-FQEVSTJZSA-N 1 0 381.411 3.245 20 30 GGEDRO CCc1nc(C#N)c(C#N)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995011 722211910 /nfs/dbraw/zinc/21/19/10/722211910.db2.gz FGBXAMPKJJDYTD-QFIPXVFZSA-N 1 0 390.466 3.166 20 30 GGEDRO C=CCc1cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc(OC)c1OC ZINC000823937208 946520190 /nfs/dbraw/zinc/52/01/90/946520190.db2.gz MMBRSYDIQPSCJL-CQSZACIVSA-N 1 0 379.464 3.463 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cccc(C#N)c1 ZINC000824546236 946786809 /nfs/dbraw/zinc/78/68/09/946786809.db2.gz HRFVRWDOZYZCRV-MRXNPFEDSA-N 1 0 387.491 3.054 20 30 GGEDRO C=CC[C@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2 ZINC001573330604 947437600 /nfs/dbraw/zinc/43/76/00/947437600.db2.gz ZNWSGXVTLYTLCJ-OLZOCXBDSA-N 1 0 386.525 3.032 20 30 GGEDRO C=CCOc1ccc(C[NH2+][C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)cc1Cl ZINC001573348713 947586686 /nfs/dbraw/zinc/58/66/86/947586686.db2.gz SNNVLKMETLMOPU-QGZVFWFLSA-N 1 0 381.867 3.342 20 30 GGEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc(Cl)c1OC ZINC000067011099 203753351 /nfs/dbraw/zinc/75/33/51/203753351.db2.gz GIABEPBSIBYFOQ-UHFFFAOYSA-N 1 0 386.883 3.382 20 30 GGEDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000037200156 205024122 /nfs/dbraw/zinc/02/41/22/205024122.db2.gz UMXZHSKIJGXQOE-UWJYYQICSA-N 1 0 382.460 3.152 20 30 GGEDRO CC[NH+]1CCN([C@H](C)CNc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000071954185 206208641 /nfs/dbraw/zinc/20/86/41/206208641.db2.gz GVCZRWKRGDTXTA-QGZVFWFLSA-N 1 0 376.508 3.106 20 30 GGEDRO CC[NH+](CC)CCOC(=O)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000004057314 520691969 /nfs/dbraw/zinc/69/19/69/520691969.db2.gz XRCIZSOPNMBDQP-UHFFFAOYSA-N 1 0 386.492 3.439 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1Br ZINC000007879426 564243029 /nfs/dbraw/zinc/24/30/29/564243029.db2.gz RIGAVFXREXVDTC-SJKOYZFVSA-N 1 0 382.302 3.163 20 30 GGEDRO COc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1Br ZINC000120643142 564331018 /nfs/dbraw/zinc/33/10/18/564331018.db2.gz OGRUDPZHRITKTM-UHFFFAOYSA-N 1 0 383.290 3.157 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)CSC)cc1OC ZINC000120661867 564331777 /nfs/dbraw/zinc/33/17/77/564331777.db2.gz KKPLQMQHYNSDPP-MRXNPFEDSA-N 1 0 390.343 3.226 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867273 564341474 /nfs/dbraw/zinc/34/14/74/564341474.db2.gz FXGCNPCUHXEJKR-SFHVURJKSA-N 1 0 389.293 3.387 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Br)cc2cccnc21 ZINC000121419985 564368802 /nfs/dbraw/zinc/36/88/02/564368802.db2.gz LPJTZFAGIKFMAV-UHFFFAOYSA-N 1 0 399.296 3.239 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000030532691 564382023 /nfs/dbraw/zinc/38/20/23/564382023.db2.gz JBFIYLUFIUJBEC-DYVFJYSZSA-N 1 0 375.266 3.411 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)c(Br)cc1F ZINC000121938112 564393096 /nfs/dbraw/zinc/39/30/96/564393096.db2.gz OZYFKFIOWXUCIB-UHFFFAOYSA-N 1 0 389.244 3.427 20 30 GGEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000046528683 564503433 /nfs/dbraw/zinc/50/34/33/564503433.db2.gz XCQRWYVBAVGLRE-QGZVFWFLSA-N 1 0 375.266 3.192 20 30 GGEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000046528680 564503772 /nfs/dbraw/zinc/50/37/72/564503772.db2.gz XCQRWYVBAVGLRE-KRWDZBQOSA-N 1 0 375.266 3.192 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)o1 ZINC000047010741 564511071 /nfs/dbraw/zinc/51/10/71/564511071.db2.gz UPVPRLILNYRSPT-UHFFFAOYSA-N 1 0 376.254 3.118 20 30 GGEDRO COc1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1C#N ZINC000125564718 564518554 /nfs/dbraw/zinc/51/85/54/564518554.db2.gz NQODPCGWIOSGAB-KRWDZBQOSA-N 1 0 375.266 3.495 20 30 GGEDRO C[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000047752781 564526274 /nfs/dbraw/zinc/52/62/74/564526274.db2.gz PVKMYWVPXUBYKD-OAHLLOKOSA-N 1 0 395.322 3.448 20 30 GGEDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000125968982 564532943 /nfs/dbraw/zinc/53/29/43/564532943.db2.gz HMYGOSRDKGMHOA-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO N#Cc1ccc(CNCc2ccc(Br)cc2N2CCOCC2)o1 ZINC000128326115 564615215 /nfs/dbraw/zinc/61/52/15/564615215.db2.gz JGARPZBXYJIFMV-UHFFFAOYSA-N 1 0 376.254 3.040 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000130772011 564691685 /nfs/dbraw/zinc/69/16/85/564691685.db2.gz QHDDRBGXLURHOZ-DLBZAZTESA-N 1 0 378.314 3.247 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000131684102 564720086 /nfs/dbraw/zinc/72/00/86/564720086.db2.gz CNKIMNYMAKWUIU-UHFFFAOYSA-N 1 0 378.314 3.175 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000133092424 564763019 /nfs/dbraw/zinc/76/30/19/564763019.db2.gz GRARYZQUJJENGJ-UHFFFAOYSA-N 1 0 391.313 3.167 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Sc2ccccc2Cl)c1C#N ZINC000133224776 564766737 /nfs/dbraw/zinc/76/67/37/564766737.db2.gz QVRGIDKJHVTUDH-LLVKDONJSA-N 1 0 377.901 3.206 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1C#N ZINC000133289015 564769353 /nfs/dbraw/zinc/76/93/53/564769353.db2.gz LJPCBTANGWCRKW-UHFFFAOYSA-N 1 0 380.279 3.311 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CSc2cc(Cl)ccc2Cl)c1C#N ZINC000133529519 564776862 /nfs/dbraw/zinc/77/68/62/564776862.db2.gz NJVLAROJHFRZQT-UHFFFAOYSA-N 1 0 398.319 3.471 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000066921280 564778811 /nfs/dbraw/zinc/77/88/11/564778811.db2.gz SVWALDGMFCOUMT-SFHVURJKSA-N 1 0 375.310 3.458 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cc(Cl)cc(Cl)c2)c1C#N ZINC000133683909 564781872 /nfs/dbraw/zinc/78/18/72/564781872.db2.gz KFUFSDNJYCEBHE-UHFFFAOYSA-N 1 0 380.279 3.311 20 30 GGEDRO CCSc1ccc(Cl)cc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000133669569 564781942 /nfs/dbraw/zinc/78/19/42/564781942.db2.gz JPBDKSKQGIAGNB-UHFFFAOYSA-N 1 0 377.901 3.451 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)cc(Br)c2)c1C#N ZINC000133809630 564785875 /nfs/dbraw/zinc/78/58/75/564785875.db2.gz PSRPIUZPWJGHMV-UHFFFAOYSA-N 1 0 396.676 3.102 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000068310610 564813802 /nfs/dbraw/zinc/81/38/02/564813802.db2.gz UZBPVMVSMMEJNW-UHFFFAOYSA-N 1 0 377.275 3.464 20 30 GGEDRO Cc1cc(Br)oc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068310086 564813898 /nfs/dbraw/zinc/81/38/98/564813898.db2.gz HZNSGJGUNHYBAE-UHFFFAOYSA-N 1 0 390.281 3.426 20 30 GGEDRO C[NH+](C)CCOc1cc(CNc2ccc(C#N)cc2Br)ccn1 ZINC000135375174 564830251 /nfs/dbraw/zinc/83/02/51/564830251.db2.gz ZIEXKHIVVDBTOJ-UHFFFAOYSA-N 1 0 375.270 3.268 20 30 GGEDRO C[N@H+](CCc1ccc(Br)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000078611023 564864259 /nfs/dbraw/zinc/86/42/59/564864259.db2.gz VPDBAVUZOLQZHD-UHFFFAOYSA-N 1 0 378.314 3.266 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H](C)C(=O)OC)cc1OC ZINC000091986208 564873598 /nfs/dbraw/zinc/87/35/98/564873598.db2.gz QKAGBGDZUXFNFJ-LBPRGKRZSA-N 1 0 386.286 3.263 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H](C)C(=O)NC)cc1OCC ZINC000093898920 564891606 /nfs/dbraw/zinc/89/16/06/564891606.db2.gz JSLNKBFNKIXEGG-ZDUSSCGKSA-N 1 0 399.329 3.227 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1)C1CC1 ZINC000101545366 564917185 /nfs/dbraw/zinc/91/71/85/564917185.db2.gz QBXFWZYQUSMLIX-KRWDZBQOSA-N 1 0 376.298 3.226 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1cc(Br)cn1C ZINC000151477384 564921330 /nfs/dbraw/zinc/92/13/30/564921330.db2.gz OWPAZZNSBZEVSN-UHFFFAOYSA-N 1 0 378.270 3.179 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCOc2ccccc2Br)CC1 ZINC000106035891 564977404 /nfs/dbraw/zinc/97/74/04/564977404.db2.gz SNNJQYYRYPQPHF-UHFFFAOYSA-N 1 0 381.314 3.375 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000106267527 564981560 /nfs/dbraw/zinc/98/15/60/564981560.db2.gz VCYFCZHZSJQQCU-UHFFFAOYSA-N 1 0 396.329 3.168 20 30 GGEDRO CN(Cc1cc(Br)ccc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000108170793 565007961 /nfs/dbraw/zinc/00/79/61/565007961.db2.gz IZHVQDXDZNAVHS-INIZCTEOSA-N 1 0 393.256 3.332 20 30 GGEDRO C[N@H+](CCc1ccc(Br)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000112563182 565064348 /nfs/dbraw/zinc/06/43/48/565064348.db2.gz YFKNPDOZKRZGTQ-GOSISDBHSA-N 1 0 389.293 3.235 20 30 GGEDRO CC#CCSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000112684927 565065509 /nfs/dbraw/zinc/06/55/09/565065509.db2.gz LWWRJPFBAWAGKC-UHFFFAOYSA-N 1 0 375.563 3.404 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000114087857 565072238 /nfs/dbraw/zinc/07/22/38/565072238.db2.gz VAVUTBYBZXEOMW-LLVKDONJSA-N 1 0 381.311 3.347 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)CC1 ZINC000369204280 565081253 /nfs/dbraw/zinc/08/12/53/565081253.db2.gz OCDAWMSHAUXIRC-QUCCMNQESA-N 1 0 389.337 3.420 20 30 GGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157722169 565141842 /nfs/dbraw/zinc/14/18/42/565141842.db2.gz YEFGMJISNRTYEB-CYBMUJFWSA-N 1 0 379.302 3.434 20 30 GGEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000185022573 565171661 /nfs/dbraw/zinc/17/16/61/565171661.db2.gz UODSJCWHRWRVDV-UHFFFAOYSA-N 1 0 381.929 3.287 20 30 GGEDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185107511 565179049 /nfs/dbraw/zinc/17/90/49/565179049.db2.gz HRFYYJHWYQBRHT-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185726985 565218722 /nfs/dbraw/zinc/21/87/22/565218722.db2.gz MYJVOHUJNSYRDS-ZFWWWQNUSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185726963 565219260 /nfs/dbraw/zinc/21/92/60/565219260.db2.gz MYJVOHUJNSYRDS-UKRRQHHQSA-N 1 0 381.929 3.143 20 30 GGEDRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185814403 565222522 /nfs/dbraw/zinc/22/25/22/565222522.db2.gz MXSYZKDBAKXQBL-UONOGXRCSA-N 1 0 394.313 3.250 20 30 GGEDRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185814458 565222875 /nfs/dbraw/zinc/22/28/75/565222875.db2.gz MXSYZKDBAKXQBL-KGLIPLIRSA-N 1 0 394.313 3.250 20 30 GGEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185826286 565223438 /nfs/dbraw/zinc/22/34/38/565223438.db2.gz HPPCSZCMMBEQRO-GDBMZVCRSA-N 1 0 378.314 3.470 20 30 GGEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185826244 565223752 /nfs/dbraw/zinc/22/37/52/565223752.db2.gz HPPCSZCMMBEQRO-GOEBONIOSA-N 1 0 378.314 3.470 20 30 GGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000185847612 565225304 /nfs/dbraw/zinc/22/53/04/565225304.db2.gz KLUOFOUWZZSQRJ-JKSUJKDBSA-N 1 0 381.567 3.137 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000294794990 565229291 /nfs/dbraw/zinc/22/92/91/565229291.db2.gz BSXAHCARXIVCBN-ACJLOTCBSA-N 1 0 388.309 3.410 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1cc(Br)ccc1F ZINC000160241693 565237775 /nfs/dbraw/zinc/23/77/75/565237775.db2.gz QYHMNEBGRAYJSG-UHFFFAOYSA-N 1 0 384.293 3.215 20 30 GGEDRO N#Cc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(Br)c1 ZINC000295513411 565271469 /nfs/dbraw/zinc/27/14/69/565271469.db2.gz HZXJLPLKTSMILS-GOEBONIOSA-N 1 0 384.277 3.102 20 30 GGEDRO CC(C)(C[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1)C(N)=O ZINC000295594716 565276114 /nfs/dbraw/zinc/27/61/14/565276114.db2.gz MROJWTWWTRGBEI-CQSZACIVSA-N 1 0 378.314 3.434 20 30 GGEDRO CC1(C#N)CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000272536019 565290213 /nfs/dbraw/zinc/29/02/13/565290213.db2.gz JCBGYAINEBSLER-ZDUSSCGKSA-N 1 0 387.705 3.468 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186842486 565290210 /nfs/dbraw/zinc/29/02/10/565290210.db2.gz UYGLQYOMTDVLQD-MRXNPFEDSA-N 1 0 380.579 3.249 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000272907054 565302121 /nfs/dbraw/zinc/30/21/21/565302121.db2.gz WEPCJKZJTIIUTI-MRXNPFEDSA-N 1 0 390.343 3.107 20 30 GGEDRO N#Cc1ccccc1OCC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374010675 565314613 /nfs/dbraw/zinc/31/46/13/565314613.db2.gz QXYQHCMGGGDNLH-UHFFFAOYSA-N 1 0 375.270 3.233 20 30 GGEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1sccc1C#N ZINC000162524697 565320080 /nfs/dbraw/zinc/32/00/80/565320080.db2.gz HUCLDBLFHIISOC-QGZVFWFLSA-N 1 0 378.885 3.444 20 30 GGEDRO CS[C@@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@H]1[NH+](C)C ZINC000273755902 565334093 /nfs/dbraw/zinc/33/40/93/565334093.db2.gz UKQOWHOKBWITDU-YSVLISHTSA-N 1 0 378.567 3.448 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297082846 565355004 /nfs/dbraw/zinc/35/50/04/565355004.db2.gz PCMUDFULSZWQEU-ZDUSSCGKSA-N 1 0 376.448 3.395 20 30 GGEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(CSCC#N)n3)cc2Cl)CC1 ZINC000274228909 565363319 /nfs/dbraw/zinc/36/33/19/565363319.db2.gz UZDUUEVFSXNXAL-UHFFFAOYSA-N 1 0 377.901 3.289 20 30 GGEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188189712 565387553 /nfs/dbraw/zinc/38/75/53/565387553.db2.gz AICJIXXNHNQZOP-OAHLLOKOSA-N 1 0 398.276 3.031 20 30 GGEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Br ZINC000275357321 565406019 /nfs/dbraw/zinc/40/60/19/565406019.db2.gz VROJHFCLYKPZOA-WMZOPIPTSA-N 1 0 389.297 3.291 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(CO)c2)c(C)s1 ZINC000298824344 565430925 /nfs/dbraw/zinc/43/09/25/565430925.db2.gz QHEGEMIMXFISGB-UHFFFAOYSA-O 1 0 377.555 3.472 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000171468760 565433953 /nfs/dbraw/zinc/43/39/53/565433953.db2.gz FTMXJYPNDAWRGH-UHFFFAOYSA-N 1 0 395.276 3.377 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376509094 565439480 /nfs/dbraw/zinc/43/94/80/565439480.db2.gz ZLFWJOFLGAAODM-UHFFFAOYSA-N 1 0 390.241 3.263 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000171718875 565446809 /nfs/dbraw/zinc/44/68/09/565446809.db2.gz SKCXJDAJRCBSIN-UHFFFAOYSA-N 1 0 380.261 3.450 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000171718616 565447143 /nfs/dbraw/zinc/44/71/43/565447143.db2.gz JJNSIOHOIASLQP-GFCCVEGCSA-N 1 0 385.277 3.122 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCCOc2ccccc2Br)CC1 ZINC000171718185 565447351 /nfs/dbraw/zinc/44/73/51/565447351.db2.gz IABMCODSBNVYLK-UHFFFAOYSA-N 1 0 381.314 3.375 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cc(Br)ccc2F)CC1 ZINC000171738572 565447908 /nfs/dbraw/zinc/44/79/08/565447908.db2.gz TYIWFHANOQRFRO-UHFFFAOYSA-N 1 0 384.293 3.380 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc(CO)c1 ZINC000299601625 565456919 /nfs/dbraw/zinc/45/69/19/565456919.db2.gz NSDJLABHKKJHKK-LBPRGKRZSA-O 1 0 377.555 3.472 20 30 GGEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189799567 565489698 /nfs/dbraw/zinc/48/96/98/565489698.db2.gz XVJUYHDHSFVJTH-MSOLQXFVSA-N 1 0 378.314 3.200 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(Br)c3)C2=O)cc1 ZINC000277438391 565496777 /nfs/dbraw/zinc/49/67/77/565496777.db2.gz OEQVPPRVAQSYJG-HNNXBMFYSA-N 1 0 390.306 3.273 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(Br)c3)C2=O)cc1 ZINC000277438396 565496934 /nfs/dbraw/zinc/49/69/34/565496934.db2.gz OEQVPPRVAQSYJG-OAHLLOKOSA-N 1 0 390.306 3.273 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)CC(=O)c2cccc(Br)c2)CC1 ZINC000172908684 565511972 /nfs/dbraw/zinc/51/19/72/565511972.db2.gz WENYOVWPZHTURZ-AWEZNQCLSA-N 1 0 393.325 3.425 20 30 GGEDRO N#Cc1cc(Br)ccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000302058264 565528051 /nfs/dbraw/zinc/52/80/51/565528051.db2.gz BMFYMXOVRVFBJN-GOSISDBHSA-N 1 0 386.293 3.499 20 30 GGEDRO N#Cc1cc(Br)ccc1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000302106430 565529837 /nfs/dbraw/zinc/52/98/37/565529837.db2.gz XTMJKKBFKYEFOP-MSOLQXFVSA-N 1 0 386.293 3.368 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000190456085 565533381 /nfs/dbraw/zinc/53/33/81/565533381.db2.gz LXBYWLNWMYFBPE-UHFFFAOYSA-N 1 0 388.270 3.228 20 30 GGEDRO C[NH+]1CCN(c2ccc(CNc3ccc(Br)cc3C#N)cn2)CC1 ZINC000302210472 565537483 /nfs/dbraw/zinc/53/74/83/565537483.db2.gz YIHWYWIZRTYUGU-UHFFFAOYSA-N 1 0 386.297 3.080 20 30 GGEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000386483736 565548013 /nfs/dbraw/zinc/54/80/13/565548013.db2.gz WNQPCBUMJBCWPQ-CQSZACIVSA-N 1 0 377.897 3.010 20 30 GGEDRO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000390769039 565557526 /nfs/dbraw/zinc/55/75/26/565557526.db2.gz UKAIJZVOWRHRDY-CQSZACIVSA-N 1 0 377.897 3.010 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000408072972 565593672 /nfs/dbraw/zinc/59/36/72/565593672.db2.gz JPPBHHNZCLFSMT-FMKPAKJESA-N 1 0 381.929 3.238 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2scc(C)c2I)CC1 ZINC000191276212 565593852 /nfs/dbraw/zinc/59/38/52/565593852.db2.gz CCRSBBJUOCBTLP-UHFFFAOYSA-N 1 0 390.290 3.041 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000408311020 565602859 /nfs/dbraw/zinc/60/28/59/565602859.db2.gz VZSZGFJJMIPDIU-IJEWVQPXSA-N 1 0 381.929 3.238 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000322359515 565608992 /nfs/dbraw/zinc/60/89/92/565608992.db2.gz HNTDPHBJIVFLLB-UHFFFAOYSA-N 1 0 390.203 3.186 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408430385 565609631 /nfs/dbraw/zinc/60/96/31/565609631.db2.gz STTQIIPJMQRIDF-RBSFLKMASA-N 1 0 381.929 3.238 20 30 GGEDRO COc1cccc([C@@H](CNc2ncc(Br)cc2C#N)[NH+](C)C)c1 ZINC000323313200 565612563 /nfs/dbraw/zinc/61/25/63/565612563.db2.gz GLKLLLNOHDIWQO-MRXNPFEDSA-N 1 0 375.270 3.439 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000323419271 565613531 /nfs/dbraw/zinc/61/35/31/565613531.db2.gz OBIKIVPYYJGEBK-UHFFFAOYSA-N 1 0 390.203 3.186 20 30 GGEDRO COC(=O)CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(Br)c1 ZINC000191631090 565617810 /nfs/dbraw/zinc/61/78/10/565617810.db2.gz FXLCUEGTJMZEBD-UHFFFAOYSA-N 1 0 390.281 3.225 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2cc(C#N)ccc2Br)C[C@H](C)O1 ZINC000191778175 565630532 /nfs/dbraw/zinc/63/05/32/565630532.db2.gz AABMHZOSZVVSCU-DAYGRLMNSA-N 1 0 392.341 3.394 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000191815181 565635883 /nfs/dbraw/zinc/63/58/83/565635883.db2.gz YOCPQWSWDVKABX-RDTXWAMCSA-N 1 0 388.309 3.296 20 30 GGEDRO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328835151 565643596 /nfs/dbraw/zinc/64/35/96/565643596.db2.gz SGGGONUFGNVZCX-VJUNAUMWSA-N 1 0 397.313 3.287 20 30 GGEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000329188243 565658401 /nfs/dbraw/zinc/65/84/01/565658401.db2.gz QIHYPQMLCFUHEJ-MRXNPFEDSA-N 1 0 384.307 3.188 20 30 GGEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc(Cl)sc3Cl)CC2)C1=O ZINC000329196705 565659807 /nfs/dbraw/zinc/65/98/07/565659807.db2.gz UXGWHXLWBCIHCH-NSHDSACASA-N 1 0 376.309 3.055 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[N@@H+]1C ZINC000329329492 565663085 /nfs/dbraw/zinc/66/30/85/565663085.db2.gz LBKDTSVGUAJPLM-NXEZZACHSA-N 1 0 382.258 3.217 20 30 GGEDRO Cc1nc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)s1 ZINC000329382275 565664260 /nfs/dbraw/zinc/66/42/60/565664260.db2.gz OCBSLNUWOOCDCS-LLVKDONJSA-N 1 0 388.331 3.020 20 30 GGEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280417579 565670643 /nfs/dbraw/zinc/67/06/43/565670643.db2.gz YZMVWPACIWWXSH-QGZVFWFLSA-N 1 0 377.897 3.361 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CC[N@@H+]1C ZINC000329607148 565673181 /nfs/dbraw/zinc/67/31/81/565673181.db2.gz CHBBJCDKYMGBHL-YPMHNXCESA-N 1 0 379.917 3.407 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CC[N@@H+]1C ZINC000329607145 565673245 /nfs/dbraw/zinc/67/32/45/565673245.db2.gz CHBBJCDKYMGBHL-DGCLKSJQSA-N 1 0 379.917 3.407 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(Br)cc3)C2=O)cc1 ZINC000192245407 565674312 /nfs/dbraw/zinc/67/43/12/565674312.db2.gz PZHBGDRYVVUHIP-GOSISDBHSA-N 1 0 384.277 3.211 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000329810478 565680439 /nfs/dbraw/zinc/68/04/39/565680439.db2.gz BNTACYBJTGTGCY-QMTHXVAHSA-N 1 0 381.270 3.008 20 30 GGEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)[C@H]2C1 ZINC000329836842 565682034 /nfs/dbraw/zinc/68/20/34/565682034.db2.gz HZFZEKMIRXHLEI-PXAZEXFGSA-N 1 0 391.313 3.370 20 30 GGEDRO O=C(N[C@H]1CCn2ccnc2C1)N1CCc2cc(Br)cc(F)c21 ZINC000330047857 565690219 /nfs/dbraw/zinc/69/02/19/565690219.db2.gz JRSPETPTHMKKRU-LBPRGKRZSA-N 1 0 379.233 3.076 20 30 GGEDRO O=C(CCn1cc(Br)ccc1=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330064731 565690806 /nfs/dbraw/zinc/69/08/06/565690806.db2.gz CNCZVJMGCPPBJM-UHFFFAOYSA-N 1 0 396.329 3.364 20 30 GGEDRO CCN1CCN(C(=O)Nc2cc(C)cc(Br)c2)C[C@H]1c1ncc[nH]1 ZINC000330335833 565701878 /nfs/dbraw/zinc/70/18/78/565701878.db2.gz RWOZEOQBJGCJOX-HNNXBMFYSA-N 1 0 392.301 3.405 20 30 GGEDRO CCN1CCN(C(=O)Nc2ccc(F)c(Br)c2)C[C@@H]1c1ncc[nH]1 ZINC000330343855 565701966 /nfs/dbraw/zinc/70/19/66/565701966.db2.gz CHXOYSGLGSDHHD-CQSZACIVSA-N 1 0 396.264 3.236 20 30 GGEDRO Cc1c(Br)cccc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000330465648 565707838 /nfs/dbraw/zinc/70/78/38/565707838.db2.gz WSMLPJDFPQOBQX-CQSZACIVSA-N 1 0 384.318 3.440 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000281134986 565714358 /nfs/dbraw/zinc/71/43/58/565714358.db2.gz DGWUSRVLRUQQLH-UHFFFAOYSA-N 1 0 378.314 3.032 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(SC)c2)CC1 ZINC000411219301 565717900 /nfs/dbraw/zinc/71/79/00/565717900.db2.gz BJFPWZNMQTWADH-UHFFFAOYSA-N 1 0 381.929 3.157 20 30 GGEDRO CC[C@H]1CN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000330663957 565718328 /nfs/dbraw/zinc/71/83/28/565718328.db2.gz XYGVOIFZWIMJGC-AAEUAGOBSA-N 1 0 390.311 3.325 20 30 GGEDRO CC[NH+]1CCC(NC(=O)Nc2cc(OC)c(Br)c(OC)c2)CC1 ZINC000330698796 565718833 /nfs/dbraw/zinc/71/88/33/565718833.db2.gz WXKVWHYQBHNSNL-UHFFFAOYSA-N 1 0 386.290 3.277 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000175742655 565720568 /nfs/dbraw/zinc/72/05/68/565720568.db2.gz MEEJKTNTZIUECT-AWEZNQCLSA-N 1 0 396.329 3.166 20 30 GGEDRO C[C@@H](NC(=O)c1ccc(I)c(O)c1)C(C)(C)C[NH+](C)C ZINC000330847991 565725491 /nfs/dbraw/zinc/72/54/91/565725491.db2.gz CTOJWENNQIJFRT-SNVBAGLBSA-N 1 0 390.265 3.278 20 30 GGEDRO CC[C@H]1CN(C(=O)Nc2cccc(C)c2Br)CC[N@@H+]1C[C@@H](C)O ZINC000330943904 565731003 /nfs/dbraw/zinc/73/10/03/565731003.db2.gz FVWMURBWWYXWDF-KGLIPLIRSA-N 1 0 384.318 3.080 20 30 GGEDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000330950029 565731243 /nfs/dbraw/zinc/73/12/43/565731243.db2.gz CVTSVHRFZPCHKH-UHFFFAOYSA-N 1 0 387.933 3.138 20 30 GGEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H]1C ZINC000330957538 565732200 /nfs/dbraw/zinc/73/22/00/565732200.db2.gz CSAUATQLRCOYDP-GXTWGEPZSA-N 1 0 387.933 3.094 20 30 GGEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1C ZINC000330957544 565732663 /nfs/dbraw/zinc/73/26/63/565732663.db2.gz CSAUATQLRCOYDP-TZMCWYRMSA-N 1 0 387.933 3.094 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1Cl ZINC000330971181 565733428 /nfs/dbraw/zinc/73/34/28/565733428.db2.gz FKLDRLLYZCSYLC-RYUDHWBXSA-N 1 0 390.311 3.325 20 30 GGEDRO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@@H]1CC ZINC000330979362 565733642 /nfs/dbraw/zinc/73/36/42/565733642.db2.gz LZRPSDPQYGTJCF-LBPRGKRZSA-N 1 0 375.300 3.367 20 30 GGEDRO CC(C)[C@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000331107614 565738952 /nfs/dbraw/zinc/73/89/52/565738952.db2.gz AMAQHSKLWUARLV-SWLSCSKDSA-N 1 0 386.323 3.485 20 30 GGEDRO COc1cc(OC)c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1Br ZINC000331157892 565743204 /nfs/dbraw/zinc/74/32/04/565743204.db2.gz DMCPPIWMXGSRPA-GHMZBOCLSA-N 1 0 386.290 3.036 20 30 GGEDRO COc1cc(OC)c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1Br ZINC000331157899 565743693 /nfs/dbraw/zinc/74/36/93/565743693.db2.gz DMCPPIWMXGSRPA-QWRGUYRKSA-N 1 0 386.290 3.036 20 30 GGEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)[C@@H](C)C1 ZINC000331183496 565744833 /nfs/dbraw/zinc/74/48/33/565744833.db2.gz NPOJHYULXIHKTH-QWRGUYRKSA-N 1 0 390.709 3.035 20 30 GGEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)[C@@H](C)C1 ZINC000331183497 565744880 /nfs/dbraw/zinc/74/48/80/565744880.db2.gz NPOJHYULXIHKTH-WDEREUQCSA-N 1 0 390.709 3.035 20 30 GGEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000331286162 565751692 /nfs/dbraw/zinc/75/16/92/565751692.db2.gz HZMFCNNZTOYEOY-JTQLQIEISA-N 1 0 378.275 3.455 20 30 GGEDRO CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000331278963 565751739 /nfs/dbraw/zinc/75/17/39/565751739.db2.gz DRQRFRDPDDCCQF-GHMZBOCLSA-N 1 0 378.275 3.455 20 30 GGEDRO CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[N@@H+]1C[C@H](C)O ZINC000331278966 565751850 /nfs/dbraw/zinc/75/18/50/565751850.db2.gz DRQRFRDPDDCCQF-WDEREUQCSA-N 1 0 378.275 3.455 20 30 GGEDRO Cc1cccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1Br ZINC000331294575 565753040 /nfs/dbraw/zinc/75/30/40/565753040.db2.gz MSCAILMKHILYMS-ZDUSSCGKSA-N 1 0 384.318 3.080 20 30 GGEDRO COc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c(Br)c1 ZINC000331303579 565754135 /nfs/dbraw/zinc/75/41/35/565754135.db2.gz VVXVUOBDELAQTQ-OAHLLOKOSA-N 1 0 388.331 3.221 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)cc1OC ZINC000193499672 565755912 /nfs/dbraw/zinc/75/59/12/565755912.db2.gz RITAFXGBZDVXJL-UONOGXRCSA-N 1 0 398.297 3.454 20 30 GGEDRO Cc1nc2c(s1)[C@H](N(C)CCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000176240059 565759045 /nfs/dbraw/zinc/75/90/45/565759045.db2.gz ONFUUGAKUKUMPU-QGZVFWFLSA-N 1 0 375.519 3.106 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CC2([S@@](C)=O)CC2)cc1OC ZINC000282201344 565769653 /nfs/dbraw/zinc/76/96/53/565769653.db2.gz CRVVPFRWPIGNAF-JOCHJYFZSA-N 1 0 388.327 3.023 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccoc1Br ZINC000193802543 565776516 /nfs/dbraw/zinc/77/65/16/565776516.db2.gz NBQGXWMVYZKOHL-UHFFFAOYSA-N 1 0 376.254 3.118 20 30 GGEDRO N#CC1(CCC[NH+]2CCN(c3ccc(Br)cn3)CC2)CCOCC1 ZINC000332082718 565804050 /nfs/dbraw/zinc/80/40/50/565804050.db2.gz OJWHHPDTLWYUFV-UHFFFAOYSA-N 1 0 393.329 3.067 20 30 GGEDRO N#Cc1ccc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)s1 ZINC000176978292 565819312 /nfs/dbraw/zinc/81/93/12/565819312.db2.gz GAKDVAJOVJKVHU-UHFFFAOYSA-N 1 0 395.575 3.188 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OC ZINC000194539495 565821396 /nfs/dbraw/zinc/82/13/96/565821396.db2.gz FAIIUHVTJSFBKJ-GASCZTMLSA-N 1 0 381.314 3.016 20 30 GGEDRO C=CCn1c(=O)c2ccc(Cl)cc2nc1SCC[N@@H+]1CCCOCC1 ZINC000412978788 565827461 /nfs/dbraw/zinc/82/74/61/565827461.db2.gz BRBZIWOFRJBHTB-UHFFFAOYSA-N 1 0 379.913 3.050 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCn1cc(Cl)cn1 ZINC000412992877 565828128 /nfs/dbraw/zinc/82/81/28/565828128.db2.gz WDBAHLFMFXAJLZ-UHFFFAOYSA-N 1 0 380.949 3.135 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000177239777 565837104 /nfs/dbraw/zinc/83/71/04/565837104.db2.gz DICJWUQGKHUDBQ-AWEZNQCLSA-N 1 0 380.330 3.330 20 30 GGEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000332647358 565850007 /nfs/dbraw/zinc/85/00/07/565850007.db2.gz SUNQUXXZFWZXCU-HUUCEWRRSA-N 1 0 377.286 3.411 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1Br ZINC000332676278 565852680 /nfs/dbraw/zinc/85/26/80/565852680.db2.gz QLEMFSSCQSGDEX-OAHLLOKOSA-N 1 0 377.286 3.413 20 30 GGEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284799152 565871826 /nfs/dbraw/zinc/87/18/26/565871826.db2.gz OKOITLPPQIYSCH-GOSISDBHSA-N 1 0 385.265 3.395 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000333342150 565878500 /nfs/dbraw/zinc/87/85/00/565878500.db2.gz PWGALNJRXYVRJU-AWEZNQCLSA-N 1 0 377.286 3.174 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000285236933 565896199 /nfs/dbraw/zinc/89/61/99/565896199.db2.gz BLUXAPCKWHBIQY-UHFFFAOYSA-N 1 0 381.289 3.386 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000217433702 565897283 /nfs/dbraw/zinc/89/72/83/565897283.db2.gz DCJJSYRXIRZLGY-HNNXBMFYSA-N 1 0 385.961 3.456 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000178266648 565908768 /nfs/dbraw/zinc/90/87/68/565908768.db2.gz ZTIYDRLIIUJYMF-HNNXBMFYSA-N 1 0 386.945 3.140 20 30 GGEDRO Cc1nc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)sc1SCC#N ZINC000334061487 565910982 /nfs/dbraw/zinc/91/09/82/565910982.db2.gz YSKBVOBHFGHOLE-CYBMUJFWSA-N 1 0 382.580 3.223 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(Br)c1 ZINC000286312014 565952865 /nfs/dbraw/zinc/95/28/65/565952865.db2.gz CYILNMJCMHESOG-CHWSQXEVSA-N 1 0 377.204 3.313 20 30 GGEDRO C=CCOc1c(Br)cc(CN[C@@H](CC[NH3+])C(F)(F)F)cc1OC ZINC000415048509 565972044 /nfs/dbraw/zinc/97/20/44/565972044.db2.gz CEDMKKJVTQEGMY-ZDUSSCGKSA-N 1 0 397.235 3.392 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415122346 565974322 /nfs/dbraw/zinc/97/43/22/565974322.db2.gz IDZYRCOZWCGKGV-HIFRSBDPSA-N 1 0 383.330 3.439 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415122352 565974774 /nfs/dbraw/zinc/97/47/74/565974774.db2.gz IDZYRCOZWCGKGV-ZFWWWQNUSA-N 1 0 383.330 3.439 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000363102371 565991515 /nfs/dbraw/zinc/99/15/15/565991515.db2.gz LLMQASPXGKRFEX-GOSISDBHSA-N 1 0 375.310 3.458 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccccc2Br)CC1 ZINC000363102372 565991567 /nfs/dbraw/zinc/99/15/67/565991567.db2.gz LLMQASPXGKRFEX-SFHVURJKSA-N 1 0 375.310 3.458 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000179634793 565994970 /nfs/dbraw/zinc/99/49/70/565994970.db2.gz CZDWJHJPDNTYNI-AWEZNQCLSA-N 1 0 383.330 3.406 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2ccc(C#N)cc2Br)C[C@H](C)O1 ZINC000245562466 565996059 /nfs/dbraw/zinc/99/60/59/565996059.db2.gz XVQBCHCDOXDXRT-RVKKMQEKSA-N 1 0 392.341 3.394 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000287286825 566008919 /nfs/dbraw/zinc/00/89/19/566008919.db2.gz RVTYFCUYRQLSRZ-BBRMVZONSA-N 1 0 377.286 3.269 20 30 GGEDRO Cc1sc(NC(=O)CN(C[C@H]2CCCO2)[C@H]2CCSC2)c(C#N)c1C ZINC000245893716 566009014 /nfs/dbraw/zinc/00/90/14/566009014.db2.gz OXMGUOXJLSKMOD-LSDHHAIUSA-N 1 0 379.551 3.162 20 30 GGEDRO [NH3+]CC[C@@H](NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C(F)F ZINC000415639689 566010858 /nfs/dbraw/zinc/01/08/58/566010858.db2.gz RIQGXGDRVXADGF-MRVPVSSYSA-N 1 0 377.260 3.411 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415800347 566019923 /nfs/dbraw/zinc/01/99/23/566019923.db2.gz DSAITOLDCFVQTM-OLZOCXBDSA-N 1 0 382.302 3.463 20 30 GGEDRO [NH3+]CC[C@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000416004152 566024842 /nfs/dbraw/zinc/02/48/42/566024842.db2.gz HZGNIAVFONFXQH-MNOVXSKESA-N 1 0 375.288 3.398 20 30 GGEDRO [NH3+]CC[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000416004154 566024994 /nfs/dbraw/zinc/02/49/94/566024994.db2.gz HZGNIAVFONFXQH-WDEREUQCSA-N 1 0 375.288 3.398 20 30 GGEDRO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180524481 566069886 /nfs/dbraw/zinc/06/98/86/566069886.db2.gz WKTMIKWGMQBJNJ-HNNXBMFYSA-N 1 0 376.909 3.293 20 30 GGEDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000416553615 566085902 /nfs/dbraw/zinc/08/59/02/566085902.db2.gz CTIRRTGCNTXGCD-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(C#N)ccc1Br ZINC000365193261 566089027 /nfs/dbraw/zinc/08/90/27/566089027.db2.gz ZTENBLVKYZYIGJ-NJAFHUGGSA-N 1 0 378.314 3.004 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 ZINC000249134923 566098223 /nfs/dbraw/zinc/09/82/23/566098223.db2.gz YOCPQWSWDVKABX-KSSFIOAISA-N 1 0 388.309 3.296 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(Br)c1 ZINC000180970715 566104003 /nfs/dbraw/zinc/10/40/03/566104003.db2.gz GPFPOEUPRPHDPT-MRXNPFEDSA-N 1 0 376.298 3.059 20 30 GGEDRO C=CCNC(=O)C[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000181126836 566118122 /nfs/dbraw/zinc/11/81/22/566118122.db2.gz SYOWMVXGVJLBIW-UHFFFAOYSA-N 1 0 389.293 3.420 20 30 GGEDRO CC[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262466126 566153057 /nfs/dbraw/zinc/15/30/57/566153057.db2.gz YGIBGKGWWRHYHW-ZWKOPEQDSA-N 1 0 376.448 3.031 20 30 GGEDRO Cc1nnc2n1C[C@H](CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl)CC2 ZINC000262553067 566154434 /nfs/dbraw/zinc/15/44/34/566154434.db2.gz ZNUPYCBCECRNAT-JQWIXIFHSA-N 1 0 381.311 3.121 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)c(F)cc2OC)CC1 ZINC000417553150 566156555 /nfs/dbraw/zinc/15/65/55/566156555.db2.gz GOFKWMKXSUGVGV-UHFFFAOYSA-N 1 0 386.265 3.369 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000182022875 566177733 /nfs/dbraw/zinc/17/77/33/566177733.db2.gz NQWIIQOKQWCCCF-BBRMVZONSA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cccc(C#N)c1 ZINC000182022979 566178025 /nfs/dbraw/zinc/17/80/25/566178025.db2.gz PEOFBKWTAJGQLH-CJNGLKHVSA-N 1 0 375.266 3.411 20 30 GGEDRO C=CC[NH+]1CCC(NCc2c(Br)cncc2Br)CC1 ZINC000290773471 566188476 /nfs/dbraw/zinc/18/84/76/566188476.db2.gz BLYZUMIUWIPLAD-UHFFFAOYSA-N 1 0 389.135 3.347 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1cc(F)ccc1Br ZINC000182316578 566196392 /nfs/dbraw/zinc/19/63/92/566196392.db2.gz NWAOPBGHFBLQEY-UHFFFAOYSA-N 1 0 384.293 3.215 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000182512924 566209665 /nfs/dbraw/zinc/20/96/65/566209665.db2.gz ARMNRTYFNNINJO-UHFFFAOYSA-N 1 0 389.244 3.427 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000264409693 566214739 /nfs/dbraw/zinc/21/47/39/566214739.db2.gz QSYKVJWGSMSFLR-UHFFFAOYSA-N 1 0 381.307 3.340 20 30 GGEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000367883743 566220869 /nfs/dbraw/zinc/22/08/69/566220869.db2.gz IFMTZFZSJPTVKL-UHFFFAOYSA-N 1 0 377.286 3.413 20 30 GGEDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183531317 566248497 /nfs/dbraw/zinc/24/84/97/566248497.db2.gz GTZSJGBJAHLFJF-UHFFFAOYSA-N 1 0 377.897 3.142 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481745934 566250572 /nfs/dbraw/zinc/25/05/72/566250572.db2.gz DUWHYRKRQCCUBJ-QGZVFWFLSA-N 1 0 382.277 3.391 20 30 GGEDRO C[C@@H]([NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)N(C)CCC#N ZINC000481755407 566250752 /nfs/dbraw/zinc/25/07/52/566250752.db2.gz ZJPRUURKFRRRJQ-BDJLRTHQSA-N 1 0 382.277 3.389 20 30 GGEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C1CC1 ZINC000481745265 566250835 /nfs/dbraw/zinc/25/08/35/566250835.db2.gz RXFUXHZZNZGFLJ-ZWKOTPCHSA-N 1 0 394.288 3.437 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000444763670 566252271 /nfs/dbraw/zinc/25/22/71/566252271.db2.gz VGTQRXDEFSAWDT-AAEUAGOBSA-N 1 0 381.295 3.473 20 30 GGEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000509000102 566254051 /nfs/dbraw/zinc/25/40/51/566254051.db2.gz IXYJPLBFNYLKPZ-UHFFFAOYSA-N 1 0 390.329 3.424 20 30 GGEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000599349488 566254900 /nfs/dbraw/zinc/25/49/00/566254900.db2.gz PADFCFBEACUBPY-KRWDZBQOSA-N 1 0 387.277 3.339 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)Cn2cccn2)cc1OC ZINC000509131688 566265840 /nfs/dbraw/zinc/26/58/40/566265840.db2.gz ISPIMWOOJAGHOU-ZDUSSCGKSA-N 1 0 380.286 3.397 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)Cn2cccn2)cc1OC ZINC000509131687 566266039 /nfs/dbraw/zinc/26/60/39/566266039.db2.gz ISPIMWOOJAGHOU-CYBMUJFWSA-N 1 0 380.286 3.397 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(I)ccc2C)CC1 ZINC000481953076 566268976 /nfs/dbraw/zinc/26/89/76/566268976.db2.gz LWQNYVRLHICYKB-UHFFFAOYSA-N 1 0 399.276 3.372 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526192 566272311 /nfs/dbraw/zinc/27/23/11/566272311.db2.gz GUIYTWOUQJZZJJ-MRXNPFEDSA-N 1 0 396.354 3.378 20 30 GGEDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000556282728 566281647 /nfs/dbraw/zinc/28/16/47/566281647.db2.gz ANOKWSYBNDFIJK-UHFFFAOYSA-N 1 0 383.945 3.147 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)cc2cccnc21 ZINC000535364047 566299516 /nfs/dbraw/zinc/29/95/16/566299516.db2.gz BPFIAIMOTMMGAP-UHFFFAOYSA-N 1 0 389.297 3.305 20 30 GGEDRO C=CC1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC1 ZINC000575964438 566300845 /nfs/dbraw/zinc/30/08/45/566300845.db2.gz LKECRVWXELAARG-UHFFFAOYSA-N 1 0 395.301 3.111 20 30 GGEDRO N#Cc1cccc(C[NH2+]CCOc2ccc(I)cc2)c1 ZINC000509438505 566306151 /nfs/dbraw/zinc/30/61/51/566306151.db2.gz LOYBCCMYPKEBJF-UHFFFAOYSA-N 1 0 378.213 3.331 20 30 GGEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000556545080 566311965 /nfs/dbraw/zinc/31/19/65/566311965.db2.gz FAPDCDDYZJHOOO-IBGZPJMESA-N 1 0 399.292 3.073 20 30 GGEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625699282 566352263 /nfs/dbraw/zinc/35/22/63/566352263.db2.gz CWINLOHIUPDIGF-CVEARBPZSA-N 1 0 381.339 3.402 20 30 GGEDRO C=CC[NH+]1CCC(Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000462826310 566356659 /nfs/dbraw/zinc/35/66/59/566356659.db2.gz BWGOPWXOTJTYGM-UHFFFAOYSA-N 1 0 391.269 3.390 20 30 GGEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600721364 566361365 /nfs/dbraw/zinc/36/13/65/566361365.db2.gz LMGVXCGWLUQKGA-KSSFIOAISA-N 1 0 389.293 3.281 20 30 GGEDRO C=C(C)C[N@@H+](CC)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000510060183 566362396 /nfs/dbraw/zinc/36/23/96/566362396.db2.gz RXSRUJMZCNHGMX-UHFFFAOYSA-N 1 0 396.329 3.052 20 30 GGEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Br)cc1OCCCO ZINC000463037622 566378655 /nfs/dbraw/zinc/37/86/55/566378655.db2.gz WTWJPIWCKXIFCY-CYBMUJFWSA-N 1 0 392.297 3.271 20 30 GGEDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000510398530 566379019 /nfs/dbraw/zinc/37/90/19/566379019.db2.gz WCXQFEAQMZVNGL-BLLLJJGKSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000510395296 566379626 /nfs/dbraw/zinc/37/96/26/566379626.db2.gz MJQJJDPIVHDGIM-SWLSCSKDSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000510432486 566382568 /nfs/dbraw/zinc/38/25/68/566382568.db2.gz TZKDOIGUYKTHOJ-DOMZBBRYSA-N 1 0 381.885 3.212 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)s1 ZINC000447094409 566386105 /nfs/dbraw/zinc/38/61/05/566386105.db2.gz RPPHDEFOINKSQE-OAHLLOKOSA-N 1 0 376.279 3.277 20 30 GGEDRO C[N@H+](CCc1cccc(Br)c1)CC(=O)NCc1cccc(C#N)c1 ZINC000463413607 566408673 /nfs/dbraw/zinc/40/86/73/566408673.db2.gz KYEAGNMESJIKAK-UHFFFAOYSA-N 1 0 386.293 3.111 20 30 GGEDRO C[N@H+](CCc1cccc(Br)c1)CC(=O)NC1(C#N)CCCCC1 ZINC000463423672 566408792 /nfs/dbraw/zinc/40/87/92/566408792.db2.gz KIXPWVANNXUUAT-UHFFFAOYSA-N 1 0 378.314 3.266 20 30 GGEDRO C[N@H+](CCc1cccc(Br)c1)CC(=O)NCc1ccc(C#N)cc1 ZINC000463422330 566408985 /nfs/dbraw/zinc/40/89/85/566408985.db2.gz ALNVMEDOWGEJHA-UHFFFAOYSA-N 1 0 386.293 3.111 20 30 GGEDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000447534005 566414654 /nfs/dbraw/zinc/41/46/54/566414654.db2.gz UHTOMLBAEQKDJZ-GOSISDBHSA-N 1 0 377.897 3.231 20 30 GGEDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)c1ccc(C#N)cc1 ZINC000447582072 566417789 /nfs/dbraw/zinc/41/77/89/566417789.db2.gz XSURIHCXFFMQRY-QGZVFWFLSA-N 1 0 377.535 3.256 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc([S@](C)=O)cc1 ZINC000537166857 566426412 /nfs/dbraw/zinc/42/64/12/566426412.db2.gz GZOZPKBSFZHIGT-YDBLSZJJSA-N 1 0 375.881 3.238 20 30 GGEDRO CS[C@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H]1[NH+]1CCCC1 ZINC000484616881 566440830 /nfs/dbraw/zinc/44/08/30/566440830.db2.gz NWXQOCGFAPQBSE-SJORKVTESA-N 1 0 380.355 3.332 20 30 GGEDRO CS[C@H]1CN(Cc2ccc(C#N)cc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000484616879 566440918 /nfs/dbraw/zinc/44/09/18/566440918.db2.gz NWXQOCGFAPQBSE-IRXDYDNUSA-N 1 0 380.355 3.332 20 30 GGEDRO CC(C)[C@](C)([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(Br)cc1 ZINC000558117289 566451009 /nfs/dbraw/zinc/45/10/09/566451009.db2.gz PCDOZEBPRLGKBC-KRWDZBQOSA-N 1 0 378.314 3.472 20 30 GGEDRO C=CCNC(=O)C[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000558134030 566452382 /nfs/dbraw/zinc/45/23/82/566452382.db2.gz NHWPVCTWJRDZLK-CYBMUJFWSA-N 1 0 377.282 3.261 20 30 GGEDRO CN(Cc1ccc(F)cc1Br)C[C@H](O)COc1ccc(C#N)cc1 ZINC000484976986 566466543 /nfs/dbraw/zinc/46/65/43/566466543.db2.gz BNLHHXOLJOHZIB-INIZCTEOSA-N 1 0 393.256 3.332 20 30 GGEDRO CN(Cc1ccc(F)cc1Br)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000484976988 566466647 /nfs/dbraw/zinc/46/66/47/566466647.db2.gz BNLHHXOLJOHZIB-MRXNPFEDSA-N 1 0 393.256 3.332 20 30 GGEDRO Cc1ccc(Br)cc1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000577860596 566470314 /nfs/dbraw/zinc/47/03/14/566470314.db2.gz PHCWRQRDAFTYBL-GOSISDBHSA-N 1 0 389.293 3.353 20 30 GGEDRO CC[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602445142 566471184 /nfs/dbraw/zinc/47/11/84/566471184.db2.gz SRVYAPVTCPZQOD-ZDUSSCGKSA-N 1 0 377.897 3.442 20 30 GGEDRO C[C@H](CCC#N)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000602443948 566471852 /nfs/dbraw/zinc/47/18/52/566471852.db2.gz CETGWYFEQRTSLS-CYBMUJFWSA-N 1 0 379.302 3.434 20 30 GGEDRO C[C@@H](CCC#N)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000602443949 566472542 /nfs/dbraw/zinc/47/25/42/566472542.db2.gz CETGWYFEQRTSLS-ZDUSSCGKSA-N 1 0 379.302 3.434 20 30 GGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)CC2 ZINC000577905586 566474318 /nfs/dbraw/zinc/47/43/18/566474318.db2.gz BHKHOIBHBPEUNH-GOSISDBHSA-N 1 0 384.277 3.328 20 30 GGEDRO CCSc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000577895506 566474355 /nfs/dbraw/zinc/47/43/55/566474355.db2.gz MAIOWORWYIBBCX-CQSZACIVSA-N 1 0 375.519 3.190 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000602529059 566475846 /nfs/dbraw/zinc/47/58/46/566475846.db2.gz DNXMINADYYXJNZ-HUUCEWRRSA-N 1 0 382.327 3.163 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000602529010 566476281 /nfs/dbraw/zinc/47/62/81/566476281.db2.gz DNXMINADYYXJNZ-CABCVRRESA-N 1 0 382.327 3.163 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(C#N)c1Br)c1cccs1 ZINC000448584976 566480320 /nfs/dbraw/zinc/48/03/20/566480320.db2.gz IVBKVGOPCRHHBG-CYBMUJFWSA-N 1 0 378.295 3.415 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1C#N)c1cccs1 ZINC000448577460 566480510 /nfs/dbraw/zinc/48/05/10/566480510.db2.gz CGBXQVSPBSQPDW-CQSZACIVSA-N 1 0 378.295 3.415 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1C#N)c1cccs1 ZINC000448577459 566480878 /nfs/dbraw/zinc/48/08/78/566480878.db2.gz CGBXQVSPBSQPDW-AWEZNQCLSA-N 1 0 378.295 3.415 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000602637297 566483543 /nfs/dbraw/zinc/48/35/43/566483543.db2.gz LYBSXQNDSOKNRR-NVXWUHKLSA-N 1 0 395.341 3.289 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000602637296 566483771 /nfs/dbraw/zinc/48/37/71/566483771.db2.gz LYBSXQNDSOKNRR-DOTOQJQBSA-N 1 0 395.341 3.289 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000602637299 566484345 /nfs/dbraw/zinc/48/43/45/566484345.db2.gz LYBSXQNDSOKNRR-WBVHZDCISA-N 1 0 395.341 3.289 20 30 GGEDRO C[C@@H](CNC(=O)c1cccc(C#N)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC000448667706 566485673 /nfs/dbraw/zinc/48/56/73/566485673.db2.gz LWTLULVXAJRBDP-AWEZNQCLSA-N 1 0 398.304 3.497 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1C#N)c1ccsc1 ZINC000448671523 566486569 /nfs/dbraw/zinc/48/65/69/566486569.db2.gz SIYGFNGGSFGTNE-OAHLLOKOSA-N 1 0 378.295 3.415 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000602673314 566487019 /nfs/dbraw/zinc/48/70/19/566487019.db2.gz SCKYGTFFRCBUSI-HNNXBMFYSA-N 1 0 384.929 3.192 20 30 GGEDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)ccc1Br ZINC000602696224 566488354 /nfs/dbraw/zinc/48/83/54/566488354.db2.gz WSVJKHHCMDBUHA-AWEZNQCLSA-N 1 0 394.313 3.385 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448716128 566489583 /nfs/dbraw/zinc/48/95/83/566489583.db2.gz UEDNIEKFYNGUDF-KBPBESRZSA-N 1 0 378.314 3.419 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448716133 566489630 /nfs/dbraw/zinc/48/96/30/566489630.db2.gz UEDNIEKFYNGUDF-ZIAGYGMSSA-N 1 0 378.314 3.419 20 30 GGEDRO N#CCC1(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC1 ZINC000602790843 566495093 /nfs/dbraw/zinc/49/50/93/566495093.db2.gz LCOWYWCJIPLLLE-UHFFFAOYSA-N 1 0 377.286 3.188 20 30 GGEDRO N#Cc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1Br ZINC000448789513 566497895 /nfs/dbraw/zinc/49/78/95/566497895.db2.gz BIVNKDKCKASZII-UHFFFAOYSA-N 1 0 376.298 3.411 20 30 GGEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448788577 566498135 /nfs/dbraw/zinc/49/81/35/566498135.db2.gz XVIOOVASOXRCIG-HZSPNIEDSA-N 1 0 378.314 3.417 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c(Br)c1 ZINC000602894659 566498756 /nfs/dbraw/zinc/49/87/56/566498756.db2.gz YREGCOFMLHELCO-DLBZAZTESA-N 1 0 379.298 3.121 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000558735803 566503800 /nfs/dbraw/zinc/50/38/00/566503800.db2.gz STPRYMPBKZEXEK-AWEZNQCLSA-N 1 0 381.295 3.106 20 30 GGEDRO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424078830 566508884 /nfs/dbraw/zinc/50/88/84/566508884.db2.gz QIALDDRVWOIPQU-AWEZNQCLSA-N 1 0 385.295 3.192 20 30 GGEDRO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424076046 566509864 /nfs/dbraw/zinc/50/98/64/566509864.db2.gz KWHWZEMCSACIIK-AWEZNQCLSA-N 1 0 385.295 3.192 20 30 GGEDRO N#Cc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1Br ZINC000448935465 566513785 /nfs/dbraw/zinc/51/37/85/566513785.db2.gz IMLPCMXXNDOLJP-OAHLLOKOSA-N 1 0 376.298 3.411 20 30 GGEDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2cccc(C#N)c2Br)C1 ZINC000448943733 566514060 /nfs/dbraw/zinc/51/40/60/566514060.db2.gz AJRNXFPCERKEDH-HNNXBMFYSA-N 1 0 384.277 3.454 20 30 GGEDRO C=CCSCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000578350069 566514627 /nfs/dbraw/zinc/51/46/27/566514627.db2.gz CZQKXXYBYDGRQK-GFCCVEGCSA-N 1 0 380.735 3.351 20 30 GGEDRO CCOc1ccc(Br)cc1CN(C(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424122570 566514619 /nfs/dbraw/zinc/51/46/19/566514619.db2.gz HCRJKJCSYPWBCL-INIZCTEOSA-N 1 0 394.313 3.360 20 30 GGEDRO CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000424148211 566516432 /nfs/dbraw/zinc/51/64/32/566516432.db2.gz ZLDCADDGNNLFFV-UONOGXRCSA-N 1 0 382.327 3.466 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000424179624 566517737 /nfs/dbraw/zinc/51/77/37/566517737.db2.gz ZDYMULCUCUOZMC-KRWDZBQOSA-N 1 0 383.323 3.095 20 30 GGEDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000485691459 566517893 /nfs/dbraw/zinc/51/78/93/566517893.db2.gz XLEIFIHEHGTKSA-AWEZNQCLSA-N 1 0 375.519 3.353 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000512171643 566518783 /nfs/dbraw/zinc/51/87/83/566518783.db2.gz XZYCBWDMZLQYQH-MRXNPFEDSA-N 1 0 384.307 3.349 20 30 GGEDRO C=CC1CC[NH+](Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)CC1 ZINC000449036464 566524040 /nfs/dbraw/zinc/52/40/40/566524040.db2.gz TXGMPSKOPWVBKA-CYBMUJFWSA-N 1 0 381.314 3.360 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(Br)c(=O)[nH]c1C)C(C)C ZINC000512334343 566527795 /nfs/dbraw/zinc/52/77/95/566527795.db2.gz QEWHSGTXCFGMKE-INIZCTEOSA-N 1 0 396.329 3.287 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cc(F)cc(Br)c1 ZINC000485839349 566530884 /nfs/dbraw/zinc/53/08/84/566530884.db2.gz DCFUPGXZSXRERR-MRXNPFEDSA-N 1 0 395.276 3.285 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CC)c1cc(F)cc(Br)c1 ZINC000485843577 566532220 /nfs/dbraw/zinc/53/22/20/566532220.db2.gz JWNSOIFVXKFNSP-QMTHXVAHSA-N 1 0 386.265 3.029 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CC)c1cc(F)cc(Br)c1 ZINC000485843576 566533078 /nfs/dbraw/zinc/53/30/78/566533078.db2.gz JWNSOIFVXKFNSP-IINYFYTJSA-N 1 0 386.265 3.029 20 30 GGEDRO CC1(C)CC(NC(=O)COc2ccc(C#N)c(Br)c2)CC(C)(C)[NH2+]1 ZINC000449185073 566535873 /nfs/dbraw/zinc/53/58/73/566535873.db2.gz FUHZMMCDFXCQOL-UHFFFAOYSA-N 1 0 394.313 3.125 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCCc2ccc(Br)cc21 ZINC000538781891 566536492 /nfs/dbraw/zinc/53/64/92/566536492.db2.gz DVIVAMRNNZZQQI-KRWDZBQOSA-N 1 0 388.313 3.398 20 30 GGEDRO C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604081477 566553841 /nfs/dbraw/zinc/55/38/41/566553841.db2.gz VZILRHXIWJNICH-GOSISDBHSA-N 1 0 389.293 3.387 20 30 GGEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(Oc3cccc(Br)c3)cc2)n1 ZINC000512904139 566567495 /nfs/dbraw/zinc/56/74/95/566567495.db2.gz NKGDRKBLFJKBNU-UHFFFAOYSA-N 1 0 398.264 3.494 20 30 GGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449516421 566571501 /nfs/dbraw/zinc/57/15/01/566571501.db2.gz ASKLSVIJXOONOC-NEPJUHHUSA-N 1 0 376.092 3.227 20 30 GGEDRO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000539303359 566572342 /nfs/dbraw/zinc/57/23/42/566572342.db2.gz HFKGCNIXIWJGRD-OAHLLOKOSA-N 1 0 376.909 3.293 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)Cc2cnn(C)c2)cc1OC ZINC000449593515 566579190 /nfs/dbraw/zinc/57/91/90/566579190.db2.gz ZXRYBQRRQJMNGL-ZDUSSCGKSA-N 1 0 394.313 3.477 20 30 GGEDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(C#N)cs2)cc1Br ZINC000449601359 566581930 /nfs/dbraw/zinc/58/19/30/566581930.db2.gz RGEGIGSHELGYRJ-AWEZNQCLSA-N 1 0 395.322 3.332 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)CC(=O)NC)cc1OCC ZINC000449604480 566583363 /nfs/dbraw/zinc/58/33/63/566583363.db2.gz TXWDOZXXIHLBIO-LBPRGKRZSA-N 1 0 385.302 3.027 20 30 GGEDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(C#N)cc2)cc1Br ZINC000449605047 566583391 /nfs/dbraw/zinc/58/33/91/566583391.db2.gz YJJSNYHKGFVKAP-QGZVFWFLSA-N 1 0 389.293 3.270 20 30 GGEDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(C#N)s2)cc1Br ZINC000449605115 566584090 /nfs/dbraw/zinc/58/40/90/566584090.db2.gz YWMJVDCZFBDBIR-ZDUSSCGKSA-N 1 0 395.322 3.332 20 30 GGEDRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449685215 566592542 /nfs/dbraw/zinc/59/25/42/566592542.db2.gz UFESMZUQQUKROY-JKIFEVAISA-N 1 0 381.314 3.281 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)cc1 ZINC000449684737 566592835 /nfs/dbraw/zinc/59/28/35/566592835.db2.gz SEUUJZYFTHLELI-INIZCTEOSA-N 1 0 377.257 3.401 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccsc1Cl ZINC000560061411 566593009 /nfs/dbraw/zinc/59/30/09/566593009.db2.gz XHDQFOPVINXZIM-UHFFFAOYSA-N 1 0 377.897 3.242 20 30 GGEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000449694210 566594416 /nfs/dbraw/zinc/59/44/16/566594416.db2.gz ATSNDPKRAGVHFI-LLVKDONJSA-N 1 0 378.108 3.211 20 30 GGEDRO C=C(CC)C[NH2+]Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000449735418 566596886 /nfs/dbraw/zinc/59/68/86/566596886.db2.gz UFITZLXZFSQHAG-UHFFFAOYSA-N 1 0 399.329 3.371 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1OCC ZINC000449743733 566597324 /nfs/dbraw/zinc/59/73/24/566597324.db2.gz AUHPEJVKRADAQU-UONOGXRCSA-N 1 0 397.313 3.156 20 30 GGEDRO CCCC[NH+]1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449829916 566607173 /nfs/dbraw/zinc/60/71/73/566607173.db2.gz NTPQRXUNEWTLIB-UHFFFAOYSA-N 1 0 394.313 3.080 20 30 GGEDRO C[NH+](C)CC[C@H](NC(=O)COc1cccc(Br)c1C#N)C(C)(C)C ZINC000449880944 566611479 /nfs/dbraw/zinc/61/14/79/566611479.db2.gz QPUAKKRHXYUJKT-INIZCTEOSA-N 1 0 396.329 3.182 20 30 GGEDRO N#Cc1cccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1Br ZINC000449910888 566614734 /nfs/dbraw/zinc/61/47/34/566614734.db2.gz GZSFBIGDGCUVIO-UHFFFAOYSA-N 1 0 376.298 3.411 20 30 GGEDRO N#Cc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1Br ZINC000449954321 566619683 /nfs/dbraw/zinc/61/96/83/566619683.db2.gz UJOJZQVCDQRRBI-CQSZACIVSA-N 1 0 376.298 3.269 20 30 GGEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)COc1cccc(Br)c1C#N ZINC000449967722 566620908 /nfs/dbraw/zinc/62/09/08/566620908.db2.gz VTVOJHNINZDNBV-CQSZACIVSA-N 1 0 394.313 3.032 20 30 GGEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449964750 566621234 /nfs/dbraw/zinc/62/12/34/566621234.db2.gz JWOFXYXUOGBZTC-HNNXBMFYSA-N 1 0 394.313 3.032 20 30 GGEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000449973229 566621457 /nfs/dbraw/zinc/62/14/57/566621457.db2.gz QMZMRTYGSWSABQ-UKRRQHHQSA-N 1 0 394.313 3.031 20 30 GGEDRO N#Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1Br ZINC000449982645 566622926 /nfs/dbraw/zinc/62/29/26/566622926.db2.gz VVDIISNPZLVJBM-OAHLLOKOSA-N 1 0 376.298 3.315 20 30 GGEDRO N#Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1Br ZINC000449982644 566623110 /nfs/dbraw/zinc/62/31/10/566623110.db2.gz VVDIISNPZLVJBM-HNNXBMFYSA-N 1 0 376.298 3.315 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3c(F)cc(Br)cc3C2)CC1 ZINC000675245314 566632440 /nfs/dbraw/zinc/63/24/40/566632440.db2.gz RVBYDLMBSNQDCW-UHFFFAOYSA-N 1 0 396.304 3.306 20 30 GGEDRO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Br)cc1 ZINC000514095266 566640632 /nfs/dbraw/zinc/64/06/32/566640632.db2.gz QFPZDTXJHADRJL-SFHVURJKSA-N 1 0 378.314 3.468 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1Cl ZINC000560603992 566642051 /nfs/dbraw/zinc/64/20/51/566642051.db2.gz KNRWHLDRQQJVQV-UHFFFAOYSA-N 1 0 381.929 3.098 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000450202692 566644183 /nfs/dbraw/zinc/64/41/83/566644183.db2.gz UZOGRUSKJVNMLI-UHFFFAOYSA-N 1 0 376.298 3.411 20 30 GGEDRO CC[NH+](CC)CCCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000514126308 566645575 /nfs/dbraw/zinc/64/55/75/566645575.db2.gz GRBAIFXVQXKCKA-LJQANCHMSA-N 1 0 393.373 3.363 20 30 GGEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000540323595 566645744 /nfs/dbraw/zinc/64/57/44/566645744.db2.gz INUHMKVSPILYJM-SNVBAGLBSA-N 1 0 393.119 3.494 20 30 GGEDRO CC[NH+](CC)CCCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000514126307 566645914 /nfs/dbraw/zinc/64/59/14/566645914.db2.gz GRBAIFXVQXKCKA-IBGZPJMESA-N 1 0 393.373 3.363 20 30 GGEDRO COc1ccccc1[C@H](CNc1ncc(Br)cc1C#N)[NH+](C)C ZINC000450217553 566645933 /nfs/dbraw/zinc/64/59/33/566645933.db2.gz UGIBKWVHBRLFIY-HNNXBMFYSA-N 1 0 375.270 3.439 20 30 GGEDRO C[C@@H](CNc1ncc(Br)cc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000450240915 566647294 /nfs/dbraw/zinc/64/72/94/566647294.db2.gz JKDKHMXANVNKSC-NSHDSACASA-N 1 0 377.311 3.058 20 30 GGEDRO C[C@H](CNc1ncc(Br)cc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000450240914 566647757 /nfs/dbraw/zinc/64/77/57/566647757.db2.gz JKDKHMXANVNKSC-LLVKDONJSA-N 1 0 377.311 3.058 20 30 GGEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc(C#N)c3Br)C2)CC1 ZINC000450239207 566647880 /nfs/dbraw/zinc/64/78/80/566647880.db2.gz YDUPCYIBUUOZMR-HNNXBMFYSA-N 1 0 376.298 3.125 20 30 GGEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000467457930 566647781 /nfs/dbraw/zinc/64/77/81/566647781.db2.gz XJBOYVAMEJGQSU-LLVKDONJSA-N 1 0 398.315 3.406 20 30 GGEDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505653 566650935 /nfs/dbraw/zinc/65/09/35/566650935.db2.gz BVRSLTDRZSAPJC-NKKGCODLSA-N 1 0 377.282 3.330 20 30 GGEDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505649 566650984 /nfs/dbraw/zinc/65/09/84/566650984.db2.gz BVRSLTDRZSAPJC-ISWURRPUSA-N 1 0 377.282 3.330 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ncc(Br)cc1C#N ZINC000450376583 566663644 /nfs/dbraw/zinc/66/36/44/566663644.db2.gz GVWHZGPMLNVIAU-UHFFFAOYSA-N 1 0 377.261 3.423 20 30 GGEDRO COc1ccc(C[C@](C)([NH3+])CNc2ncc(Br)cc2C#N)cc1 ZINC000450410989 566668809 /nfs/dbraw/zinc/66/88/09/566668809.db2.gz WOCCCMWFQVDYJX-KRWDZBQOSA-N 1 0 375.270 3.096 20 30 GGEDRO C=CCc1cc(C[NH2+]CCCn2cc(Br)cn2)cc(OC)c1O ZINC000514812720 566672153 /nfs/dbraw/zinc/67/21/53/566672153.db2.gz QPHBHFQDEYIJKH-UHFFFAOYSA-N 1 0 380.286 3.268 20 30 GGEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000450652026 566694881 /nfs/dbraw/zinc/69/48/81/566694881.db2.gz FHPXXOWRLRLCPE-QAPCUYQASA-N 1 0 378.314 3.058 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1Br ZINC000487901496 566695752 /nfs/dbraw/zinc/69/57/52/566695752.db2.gz VQHDLFQYZDNENM-HNNXBMFYSA-N 1 0 377.286 3.413 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487983137 566701395 /nfs/dbraw/zinc/70/13/95/566701395.db2.gz KDNDNUAHVXMSOC-ZDUSSCGKSA-N 1 0 379.302 3.420 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1[nH]nc(CC)c1Br)C(C)C ZINC000468508659 566705170 /nfs/dbraw/zinc/70/51/70/566705170.db2.gz VFKCLCQFDHPNFW-CQSZACIVSA-N 1 0 383.334 3.163 20 30 GGEDRO C=CCN1CC[C@H]([N@H+](C)CCCC(=O)c2ccc(Br)cc2)C1=O ZINC000450911897 566720779 /nfs/dbraw/zinc/72/07/79/566720779.db2.gz XBERNTVQHAJLEH-INIZCTEOSA-N 1 0 379.298 3.131 20 30 GGEDRO C=CCN1CC[C@@H]([N@H+](C)CCCC(=O)c2ccc(Br)cc2)C1=O ZINC000450911899 566720844 /nfs/dbraw/zinc/72/08/44/566720844.db2.gz XBERNTVQHAJLEH-MRXNPFEDSA-N 1 0 379.298 3.131 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)cc1Br ZINC000468818763 566733978 /nfs/dbraw/zinc/73/39/78/566733978.db2.gz CKJLXNFTDVNUIU-NEPJUHHUSA-N 1 0 380.286 3.059 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000516291472 566756201 /nfs/dbraw/zinc/75/62/01/566756201.db2.gz WYROUNDEKAMFFV-JKSUJKDBSA-N 1 0 395.341 3.454 20 30 GGEDRO C=CCN(CC[C@@H]1CCS(=O)(=O)C1)Cc1cc(Br)ccc1F ZINC000677681115 566757536 /nfs/dbraw/zinc/75/75/36/566757536.db2.gz FGBOZAABEUWYLN-CYBMUJFWSA-N 1 0 390.318 3.401 20 30 GGEDRO Cc1cc(C(C)(C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)ccc1Br ZINC000562059430 566761071 /nfs/dbraw/zinc/76/10/71/566761071.db2.gz DUWRYEFQSCUEEP-GOSISDBHSA-N 1 0 378.314 3.391 20 30 GGEDRO C=CCCC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000609798670 566786813 /nfs/dbraw/zinc/78/68/13/566786813.db2.gz YRPALIITMZXNGH-UHFFFAOYSA-N 1 0 384.261 3.015 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CCCN(c2nccs2)CC1 ZINC000581566266 566787890 /nfs/dbraw/zinc/78/78/90/566787890.db2.gz DOVLJWPDGUCREJ-UHFFFAOYSA-N 1 0 377.311 3.490 20 30 GGEDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451290453 566789797 /nfs/dbraw/zinc/78/97/97/566789797.db2.gz XPJVLAXWVGNGNQ-UHFFFAOYSA-N 1 0 383.945 3.291 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655431344 566800089 /nfs/dbraw/zinc/80/00/89/566800089.db2.gz FBDCURWCWCTVAZ-MAUKXSAKSA-N 1 0 381.289 3.493 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655431343 566800425 /nfs/dbraw/zinc/80/04/25/566800425.db2.gz FBDCURWCWCTVAZ-CRAIPNDOSA-N 1 0 381.289 3.493 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2csc(Br)c2)cc1 ZINC000581843732 566808690 /nfs/dbraw/zinc/80/86/90/566808690.db2.gz DNYZKRLKARMAHE-AWEZNQCLSA-N 1 0 381.295 3.106 20 30 GGEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000562836087 566826829 /nfs/dbraw/zinc/82/68/29/566826829.db2.gz VTCQBTJAPIFYIP-UHFFFAOYSA-N 1 0 377.897 3.271 20 30 GGEDRO C=CCOc1c(Br)cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1OC ZINC000469995927 566835484 /nfs/dbraw/zinc/83/54/84/566835484.db2.gz HAZUZMNJQSUEFK-OAHLLOKOSA-N 1 0 381.314 3.349 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000542912743 566837608 /nfs/dbraw/zinc/83/76/08/566837608.db2.gz RVFIYENZJBXVCX-CQSZACIVSA-N 1 0 394.294 3.034 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CCC(C[NH2+]C)CC2)cc1OC ZINC000470020364 566839195 /nfs/dbraw/zinc/83/91/95/566839195.db2.gz YJDBULFBRNCPIR-UHFFFAOYSA-N 1 0 383.330 3.454 20 30 GGEDRO N#Cc1ccc(CNC(=O)CN2CC[C@H](c3cccc(Br)c3)C2)cc1 ZINC000451562738 566839761 /nfs/dbraw/zinc/83/97/61/566839761.db2.gz DCNPCNXOASWJIQ-SFHVURJKSA-N 1 0 398.304 3.426 20 30 GGEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000562994632 566842201 /nfs/dbraw/zinc/84/22/01/566842201.db2.gz CIUYTQXYYBRYIB-CQSZACIVSA-N 1 0 378.881 3.042 20 30 GGEDRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000562985411 566842395 /nfs/dbraw/zinc/84/23/95/566842395.db2.gz RBMBWHONGJXMLL-HACGYAERSA-N 1 0 398.370 3.028 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)c(F)c1 ZINC000428533979 566852921 /nfs/dbraw/zinc/85/29/21/566852921.db2.gz HVXKUPROCHRCHL-HNNXBMFYSA-N 1 0 377.257 3.401 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)c(F)c1 ZINC000428552032 566855768 /nfs/dbraw/zinc/85/57/68/566855768.db2.gz YKZMNQMTDAIIFU-CQSZACIVSA-N 1 0 377.257 3.401 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)c(F)c1 ZINC000428552028 566856468 /nfs/dbraw/zinc/85/64/68/566856468.db2.gz YKZMNQMTDAIIFU-AWEZNQCLSA-N 1 0 377.257 3.401 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCCc1cccc(Br)c1 ZINC000610754804 566859584 /nfs/dbraw/zinc/85/95/84/566859584.db2.gz IYIYXJYYSMDMKV-UHFFFAOYSA-N 1 0 380.330 3.466 20 30 GGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000451674764 566861067 /nfs/dbraw/zinc/86/10/67/566861067.db2.gz NUYZZWBBJDQYCZ-CFVMTHIKSA-N 1 0 390.705 3.165 20 30 GGEDRO CC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(I)cc1 ZINC000610813383 566867039 /nfs/dbraw/zinc/86/70/39/566867039.db2.gz FHMQMVLFZINDEX-INIZCTEOSA-N 1 0 383.277 3.320 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCSc2ccc(F)cc2)cc1 ZINC000582541344 566872931 /nfs/dbraw/zinc/87/29/31/566872931.db2.gz GJLJTSZBRWAVMO-UHFFFAOYSA-N 1 0 378.494 3.243 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1OC ZINC000543412863 566878691 /nfs/dbraw/zinc/87/86/91/566878691.db2.gz RRGQOPVUPZZLJD-DZKIICNBSA-N 1 0 382.298 3.225 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1OC ZINC000543412964 566879428 /nfs/dbraw/zinc/87/94/28/566879428.db2.gz RRGQOPVUPZZLJD-OFQRWUPVSA-N 1 0 382.298 3.225 20 30 GGEDRO N#Cc1cc(Cl)c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000611094492 566889821 /nfs/dbraw/zinc/88/98/21/566889821.db2.gz LQTWPWMEOMVUFA-GFCCVEGCSA-N 1 0 382.291 3.096 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000518624153 566897041 /nfs/dbraw/zinc/89/70/41/566897041.db2.gz CJZJKAZZKDDHOP-SJORKVTESA-N 1 0 378.314 3.255 20 30 GGEDRO N#Cc1ccc(OCC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000429030126 566902205 /nfs/dbraw/zinc/90/22/05/566902205.db2.gz QRMYZKQFBNIENZ-KRWDZBQOSA-N 1 0 379.229 3.162 20 30 GGEDRO C=CCOCCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000470773407 566903028 /nfs/dbraw/zinc/90/30/28/566903028.db2.gz NYUQUQNPDXAENL-SFHVURJKSA-N 1 0 378.314 3.224 20 30 GGEDRO N#Cc1ccccc1OCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429028752 566903517 /nfs/dbraw/zinc/90/35/17/566903517.db2.gz CXGLAWKOSAELJA-MRXNPFEDSA-N 1 0 379.229 3.162 20 30 GGEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386747 566914052 /nfs/dbraw/zinc/91/40/52/566914052.db2.gz TYINILKGINNZET-CYBMUJFWSA-N 1 0 393.306 3.445 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611389553 566914159 /nfs/dbraw/zinc/91/41/59/566914159.db2.gz ZKJMUJACIQXXMB-CXAGYDPISA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386239 566914236 /nfs/dbraw/zinc/91/42/36/566914236.db2.gz GKJHKDKFCLCPBU-SUMWQHHRSA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611389162 566914739 /nfs/dbraw/zinc/91/47/39/566914739.db2.gz XUWMDTCXOQQILV-ZDUSSCGKSA-N 1 0 393.306 3.445 20 30 GGEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386748 566915015 /nfs/dbraw/zinc/91/50/15/566915015.db2.gz TYINILKGINNZET-ZDUSSCGKSA-N 1 0 393.306 3.445 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429309555 566922329 /nfs/dbraw/zinc/92/23/29/566922329.db2.gz RSJGHWGNQLVXIH-XHDPSFHLSA-N 1 0 394.313 3.062 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000583143223 566925275 /nfs/dbraw/zinc/92/52/75/566925275.db2.gz BQKQMUDRMSQQEN-LSDHHAIUSA-N 1 0 381.314 3.064 20 30 GGEDRO C[C@H]([NH2+][C@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(C)CCC#N ZINC000429376209 566927695 /nfs/dbraw/zinc/92/76/95/566927695.db2.gz JICIYCHNMIITMW-LRDDRELGSA-N 1 0 378.314 3.423 20 30 GGEDRO Cc1cc(C(C)(C)[NH2+]CC(=O)N(CCC#N)CCC#N)ccc1Br ZINC000583232373 566932180 /nfs/dbraw/zinc/93/21/80/566932180.db2.gz YGVPFVLOTXXIAH-UHFFFAOYSA-N 1 0 391.313 3.238 20 30 GGEDRO CS[C@H]1CN(Cc2cc(C#N)ccc2Br)C[C@@H]1[NH+]1CCCC1 ZINC000492821752 566939915 /nfs/dbraw/zinc/93/99/15/566939915.db2.gz ZXFZSHVFXLUHNY-IRXDYDNUSA-N 1 0 380.355 3.332 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)c2cccnc12 ZINC000544126753 566942628 /nfs/dbraw/zinc/94/26/28/566942628.db2.gz HLLICBVVWVRDOL-UHFFFAOYSA-N 1 0 399.296 3.069 20 30 GGEDRO N#Cc1c(Br)cccc1OCC(=O)NCCCCC[NH+]1CCCC1 ZINC000452153530 566944215 /nfs/dbraw/zinc/94/42/15/566944215.db2.gz TUJAUNGAENKWFP-UHFFFAOYSA-N 1 0 394.313 3.082 20 30 GGEDRO C=CCN(CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1cccs1 ZINC000519546162 566946722 /nfs/dbraw/zinc/94/67/22/566946722.db2.gz BDWAYRBGBLWPCO-UHFFFAOYSA-N 1 0 375.563 3.142 20 30 GGEDRO N#Cc1cnn2cc(C[NH2+]CC3(c4cccc(Br)c4)CC3)cnc12 ZINC000519604803 566951492 /nfs/dbraw/zinc/95/14/92/566951492.db2.gz GVMIUPRQGZMJQT-UHFFFAOYSA-N 1 0 382.265 3.185 20 30 GGEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338359 566964176 /nfs/dbraw/zinc/96/41/76/566964176.db2.gz AVTVWHIRIZAIIN-DCGLDWPTSA-N 1 0 376.298 3.123 20 30 GGEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338361 566964451 /nfs/dbraw/zinc/96/44/51/566964451.db2.gz AVTVWHIRIZAIIN-OGHNNQOOSA-N 1 0 376.298 3.123 20 30 GGEDRO CN(Cc1ccc(Br)c(F)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494292386 566985243 /nfs/dbraw/zinc/98/52/43/566985243.db2.gz FPOHZXJLZWOLKN-INIZCTEOSA-N 1 0 376.229 3.118 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000472084632 567000099 /nfs/dbraw/zinc/00/00/99/567000099.db2.gz PYZWRNVXCHBYLB-UHFFFAOYSA-N 1 0 377.286 3.096 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612972531 567006215 /nfs/dbraw/zinc/00/62/15/567006215.db2.gz YORNASFSAFICFX-INIZCTEOSA-N 1 0 396.304 3.428 20 30 GGEDRO CCOc1cc(Br)c(NC(=O)[C@@H]([NH3+])CCCC#N)cc1OCC ZINC000520566321 567011668 /nfs/dbraw/zinc/01/16/68/567011668.db2.gz QHPRCSULXKLPDC-LBPRGKRZSA-N 1 0 384.274 3.206 20 30 GGEDRO C=C(C)CN1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000564844172 567012580 /nfs/dbraw/zinc/01/25/80/567012580.db2.gz IYFWBTLXMIVOLK-UHFFFAOYSA-N 1 0 380.330 3.408 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000564864006 567014562 /nfs/dbraw/zinc/01/45/62/567014562.db2.gz LGLZWQMXNJOPOO-MAUKXSAKSA-N 1 0 378.856 3.270 20 30 GGEDRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC1(CC#N)CC1 ZINC000430760798 567034610 /nfs/dbraw/zinc/03/46/10/567034610.db2.gz SSTTWJABSGSUOC-UHFFFAOYSA-N 1 0 395.297 3.483 20 30 GGEDRO N#Cc1cc(F)c(N2CC[NH+](CC3CCOCC3)CC2)cc1Br ZINC000521068128 567037649 /nfs/dbraw/zinc/03/76/49/567037649.db2.gz NBEVJBWZRRYXNH-UHFFFAOYSA-N 1 0 382.277 3.008 20 30 GGEDRO C=CCCn1cc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000657327426 567047193 /nfs/dbraw/zinc/04/71/93/567047193.db2.gz VWMOSVVWPXLQNY-OAHLLOKOSA-N 1 0 390.329 3.233 20 30 GGEDRO C=CCCn1cc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)nn1 ZINC000657327425 567047692 /nfs/dbraw/zinc/04/76/92/567047692.db2.gz VWMOSVVWPXLQNY-HNNXBMFYSA-N 1 0 390.329 3.233 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2ccn(C)n2)cc1OCC ZINC000545464856 567052612 /nfs/dbraw/zinc/05/26/12/567052612.db2.gz ASVJRUZCCRALLM-UHFFFAOYSA-N 1 0 394.313 3.478 20 30 GGEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000473461616 567081845 /nfs/dbraw/zinc/08/18/45/567081845.db2.gz MUVAFGGKORBDHZ-RDTXWAMCSA-N 1 0 388.309 3.408 20 30 GGEDRO N#Cc1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000585718457 567082695 /nfs/dbraw/zinc/08/26/95/567082695.db2.gz HLVNFFLFGBDVGV-KRWDZBQOSA-N 1 0 378.314 3.007 20 30 GGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000453380297 567083473 /nfs/dbraw/zinc/08/34/73/567083473.db2.gz ZHWMUCICTZXJRM-DOMZBBRYSA-N 1 0 379.302 3.316 20 30 GGEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000453424319 567086890 /nfs/dbraw/zinc/08/68/90/567086890.db2.gz IQPWHGNXQQTRMK-UHFFFAOYSA-N 1 0 393.333 3.142 20 30 GGEDRO N#Cc1cc(F)c(N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Br ZINC000566020184 567119873 /nfs/dbraw/zinc/11/98/73/567119873.db2.gz HAUDIUQXFLQNEA-CYBMUJFWSA-N 1 0 382.277 3.008 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000566077047 567124569 /nfs/dbraw/zinc/12/45/69/567124569.db2.gz IOUOAXSOLILVSY-ZWKOTPCHSA-N 1 0 378.314 3.054 20 30 GGEDRO N#Cc1ccc(NC(=O)NCCN2Cc3ccccc3C2)cc1Br ZINC000588313365 567125332 /nfs/dbraw/zinc/12/53/32/567125332.db2.gz IIUULDRFZLUACF-UHFFFAOYSA-N 1 0 385.265 3.458 20 30 GGEDRO CO[C@@]1(C(F)(F)F)CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000614922202 567146808 /nfs/dbraw/zinc/14/68/08/567146808.db2.gz KSKMUZDVCRXKLE-HNNXBMFYSA-N 1 0 375.778 3.193 20 30 GGEDRO CO[C@]1(C(F)(F)F)CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000614922203 567147350 /nfs/dbraw/zinc/14/73/50/567147350.db2.gz KSKMUZDVCRXKLE-OAHLLOKOSA-N 1 0 375.778 3.193 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000454464228 567176491 /nfs/dbraw/zinc/17/64/91/567176491.db2.gz MTRNWOJBIPVNKA-UHFFFAOYSA-N 1 0 387.347 3.054 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1Cl ZINC000589344187 567177106 /nfs/dbraw/zinc/17/71/06/567177106.db2.gz HSIAPPYSPFIJAI-GOSISDBHSA-N 1 0 375.881 3.026 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000474576350 567179890 /nfs/dbraw/zinc/17/98/90/567179890.db2.gz LWTYNGASYGQOET-ACJLOTCBSA-N 1 0 377.897 3.181 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCC2CCOCC2)CC1 ZINC000432771909 567189055 /nfs/dbraw/zinc/18/90/55/567189055.db2.gz NNXZSUGWWDVDBX-LJQANCHMSA-N 1 0 392.341 3.448 20 30 GGEDRO CC1CC[NH+](C[C@@H](O)CNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000566872614 567198294 /nfs/dbraw/zinc/19/82/94/567198294.db2.gz RZCDIBLFLNBAJD-AWEZNQCLSA-N 1 0 386.721 3.479 20 30 GGEDRO CC[C@H](Cc1cccc(Br)c1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000547319264 567200326 /nfs/dbraw/zinc/20/03/26/567200326.db2.gz SHTKFOQEWJROCO-OAHLLOKOSA-N 1 0 378.314 3.122 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000590192969 567212730 /nfs/dbraw/zinc/21/27/30/567212730.db2.gz JIUCXTXCTHPPEC-GFCCVEGCSA-N 1 0 390.256 3.427 20 30 GGEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000590192972 567213251 /nfs/dbraw/zinc/21/32/51/567213251.db2.gz JIUCXTXCTHPPEC-LBPRGKRZSA-N 1 0 390.256 3.427 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000567265830 567231378 /nfs/dbraw/zinc/23/13/78/567231378.db2.gz OTINHVIEHQSLHW-MRXNPFEDSA-N 1 0 393.256 3.184 20 30 GGEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433283944 567238828 /nfs/dbraw/zinc/23/88/28/567238828.db2.gz DFPHKYFKWOEPKD-MRXNPFEDSA-N 1 0 378.314 3.076 20 30 GGEDRO Cc1ccc(OCCC(=O)N(CCC#N)CCC[NH+](C)C)c(Br)c1 ZINC000499338731 567239989 /nfs/dbraw/zinc/23/99/89/567239989.db2.gz WIQMQWLCUQUBAD-UHFFFAOYSA-N 1 0 396.329 3.220 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433306457 567242488 /nfs/dbraw/zinc/24/24/88/567242488.db2.gz SDGIGRKBPDNLNK-DOTOQJQBSA-N 1 0 392.341 3.322 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475562929 567257512 /nfs/dbraw/zinc/25/75/12/567257512.db2.gz AIWPNVLFSOGDHF-GJZGRUSLSA-N 1 0 383.945 3.248 20 30 GGEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000525886380 567272804 /nfs/dbraw/zinc/27/28/04/567272804.db2.gz IVTAROYEIZEPHK-OAHLLOKOSA-N 1 0 378.314 3.264 20 30 GGEDRO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475751540 567273262 /nfs/dbraw/zinc/27/32/62/567273262.db2.gz XMXJQIJCQLGWPH-UHFFFAOYSA-N 1 0 378.314 3.423 20 30 GGEDRO C=CCN1CC[C@@H]([N@H+](C)CCOc2ccc(Cl)cc2Br)C1=O ZINC000500028126 567291929 /nfs/dbraw/zinc/29/19/29/567291929.db2.gz WVBWMDMOYMVWJC-CQSZACIVSA-N 1 0 387.705 3.200 20 30 GGEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000591763927 567295091 /nfs/dbraw/zinc/29/50/91/567295091.db2.gz REWRNKPIUVBCSJ-VQIMIIECSA-N 1 0 387.277 3.338 20 30 GGEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000591763808 567295556 /nfs/dbraw/zinc/29/55/56/567295556.db2.gz KEEMZNQXNJOKBY-VQIMIIECSA-N 1 0 387.277 3.338 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC000527068808 567311119 /nfs/dbraw/zinc/31/11/19/567311119.db2.gz IQCTVNRNLLXGHQ-UHFFFAOYSA-N 1 0 392.322 3.310 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc(F)cc2Br)CC1 ZINC000592080263 567312747 /nfs/dbraw/zinc/31/27/47/567312747.db2.gz WCKHODUXTCIRPA-UHFFFAOYSA-N 1 0 385.277 3.124 20 30 GGEDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000476343383 567317119 /nfs/dbraw/zinc/31/71/19/567317119.db2.gz SAICSXZNPJJNSF-UHFFFAOYSA-N 1 0 383.945 3.248 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CCC1 ZINC000527377110 567334858 /nfs/dbraw/zinc/33/48/58/567334858.db2.gz LMMNSQXSQWCXHY-INIZCTEOSA-N 1 0 380.261 3.191 20 30 GGEDRO C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)c1cccc(C#N)c1 ZINC000500742380 567341844 /nfs/dbraw/zinc/34/18/44/567341844.db2.gz AEICYRZBVLQYOR-CQSZACIVSA-N 1 0 377.897 3.231 20 30 GGEDRO N#Cc1c(Br)cccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000568811666 567358312 /nfs/dbraw/zinc/35/83/12/567358312.db2.gz MNUICUMUGAWLKZ-UHFFFAOYSA-N 1 0 378.314 3.259 20 30 GGEDRO C[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1ccc(C#N)cc1 ZINC000548937092 567361571 /nfs/dbraw/zinc/36/15/71/567361571.db2.gz USQUGRWZRLQULB-LBPRGKRZSA-N 1 0 383.249 3.179 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c(Br)c1 ZINC000618308103 567369448 /nfs/dbraw/zinc/36/94/48/567369448.db2.gz QJEWKRANLZYKLS-ROUUACIJSA-N 1 0 378.314 3.054 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000568972747 567370480 /nfs/dbraw/zinc/37/04/80/567370480.db2.gz SORYIVBYLMPEMS-CHWSQXEVSA-N 1 0 380.286 3.087 20 30 GGEDRO C=CC[NH+]1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000549121881 567374819 /nfs/dbraw/zinc/37/48/19/567374819.db2.gz JAEOXZGJDPVXCO-UHFFFAOYSA-N 1 0 387.221 3.262 20 30 GGEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000435747396 567387434 /nfs/dbraw/zinc/38/74/34/567387434.db2.gz HQZZPBJQIFBALR-QFBILLFUSA-N 1 0 395.341 3.357 20 30 GGEDRO CN(C)c1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)ncc1Br ZINC000456670106 567400777 /nfs/dbraw/zinc/40/07/77/567400777.db2.gz OGSZPFZAIRWXSP-UHFFFAOYSA-N 1 0 385.265 3.452 20 30 GGEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccncc3Br)CC2)c1 ZINC000593355439 567408662 /nfs/dbraw/zinc/40/86/62/567408662.db2.gz XBSLVQZGXAXVOH-UHFFFAOYSA-N 1 0 399.292 3.110 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641053603 567410083 /nfs/dbraw/zinc/41/00/83/567410083.db2.gz VDGOSFZZHQBUNY-HNNXBMFYSA-N 1 0 384.293 3.428 20 30 GGEDRO C=C[C@H](CO)[NH2+]CCCOc1c(Br)cccc1Br ZINC000662168292 567414401 /nfs/dbraw/zinc/41/44/01/567414401.db2.gz AJWWRPZFLSRUOE-SNVBAGLBSA-N 1 0 379.092 3.117 20 30 GGEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507142 567432682 /nfs/dbraw/zinc/43/26/82/567432682.db2.gz VWCUPMGLZGYOOS-NJAFHUGGSA-N 1 0 393.325 3.249 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000550312760 567439889 /nfs/dbraw/zinc/43/98/89/567439889.db2.gz VCLRCNUIQKGBSH-UHFFFAOYSA-N 1 0 397.313 3.237 20 30 GGEDRO C[C@H]1COCC[N@@H+]1C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000593989027 567450791 /nfs/dbraw/zinc/45/07/91/567450791.db2.gz XOUCMTAFZOUJFV-AWEZNQCLSA-N 1 0 378.314 3.006 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000594103934 567460507 /nfs/dbraw/zinc/46/05/07/567460507.db2.gz OUZZBTNFDRPHTQ-JKSUJKDBSA-N 1 0 377.286 3.459 20 30 GGEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000570325761 567476344 /nfs/dbraw/zinc/47/63/44/567476344.db2.gz XCXZYMDQRRXNCC-QZTJIDSGSA-N 1 0 398.320 3.225 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503384530 567481415 /nfs/dbraw/zinc/48/14/15/567481415.db2.gz OPRQLGCSQJGUPR-CYBMUJFWSA-N 1 0 394.313 3.029 20 30 GGEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503385600 567483478 /nfs/dbraw/zinc/48/34/78/567483478.db2.gz RNUHBWQPOUSGKY-CQSZACIVSA-N 1 0 378.314 3.389 20 30 GGEDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000503477876 567487557 /nfs/dbraw/zinc/48/75/57/567487557.db2.gz STVJPZMAJAAENR-UHFFFAOYSA-N 1 0 383.945 3.248 20 30 GGEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000551228495 567491138 /nfs/dbraw/zinc/49/11/38/567491138.db2.gz FRPYQXAKRLYZIO-ZDUSSCGKSA-N 1 0 384.281 3.474 20 30 GGEDRO N#Cc1ccc(CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)cc1 ZINC000594718324 567502000 /nfs/dbraw/zinc/50/20/00/567502000.db2.gz OEWVTSDMDMXGLR-QGZVFWFLSA-N 1 0 393.256 3.032 20 30 GGEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000551412761 567504627 /nfs/dbraw/zinc/50/46/27/567504627.db2.gz BXSOTEFEYXTJPD-GOSISDBHSA-N 1 0 385.265 3.395 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000594757640 567507711 /nfs/dbraw/zinc/50/77/11/567507711.db2.gz HMTNNIAJJFAHDU-BLLLJJGKSA-N 1 0 377.535 3.042 20 30 GGEDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594758387 567508092 /nfs/dbraw/zinc/50/80/92/567508092.db2.gz QJSHVOTZPIAYKB-OAHLLOKOSA-N 1 0 377.535 3.186 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)CN(C)[C@@H]1CCSC1 ZINC000458009057 567513410 /nfs/dbraw/zinc/51/34/10/567513410.db2.gz DARBRMIRNCQPGD-CYBMUJFWSA-N 1 0 385.327 3.390 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000594783438 567513496 /nfs/dbraw/zinc/51/34/96/567513496.db2.gz BDXNBCIWGYNLOZ-CQSZACIVSA-N 1 0 377.535 3.092 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000594783437 567513858 /nfs/dbraw/zinc/51/38/58/567513858.db2.gz BDXNBCIWGYNLOZ-AWEZNQCLSA-N 1 0 377.535 3.092 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000643985762 567527202 /nfs/dbraw/zinc/52/72/02/567527202.db2.gz YHPQVUFSZNOOJM-CYBMUJFWSA-N 1 0 391.231 3.348 20 30 GGEDRO O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000644046628 567528061 /nfs/dbraw/zinc/52/80/61/567528061.db2.gz SVRCYWOCRZHLFU-NQMVMOMDSA-N 1 0 382.295 3.257 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000551716230 567531803 /nfs/dbraw/zinc/53/18/03/567531803.db2.gz QMLZOERTPVVPDD-DYVFJYSZSA-N 1 0 378.314 3.474 20 30 GGEDRO N#Cc1ccc(O[C@@H]2CCN(Cc3ncc(Cl)cc3Br)C2)nc1 ZINC000529571778 567532320 /nfs/dbraw/zinc/53/23/20/567532320.db2.gz ADUGSASEBXHTPQ-CYBMUJFWSA-N 1 0 393.672 3.417 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cccc(Br)c2)CC1 ZINC000458319834 567540185 /nfs/dbraw/zinc/54/01/85/567540185.db2.gz LLYPVXVZPLQWAA-UHFFFAOYSA-N 1 0 380.330 3.331 20 30 GGEDRO C[NH2+]CCC1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000595107966 567541915 /nfs/dbraw/zinc/54/19/15/567541915.db2.gz NDIKRIABOVRLMY-UHFFFAOYSA-N 1 0 377.535 3.092 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000595121072 567543203 /nfs/dbraw/zinc/54/32/03/567543203.db2.gz UWQYZTDSWVSIRZ-AWEZNQCLSA-N 1 0 375.519 3.034 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000664019191 567548522 /nfs/dbraw/zinc/54/85/22/567548522.db2.gz IOXZGPCXAYXSAQ-INIZCTEOSA-N 1 0 386.323 3.319 20 30 GGEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438844950 567550003 /nfs/dbraw/zinc/55/00/03/567550003.db2.gz ZOYLZGAQAXQIJZ-QGZVFWFLSA-N 1 0 393.256 3.332 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(F)cc2Br)cc1 ZINC000552034390 567551877 /nfs/dbraw/zinc/55/18/77/567551877.db2.gz SLNJCAXGAWRNKX-MRXNPFEDSA-N 1 0 393.256 3.184 20 30 GGEDRO COC(=O)C[C@](C)(NCc1cc(C#N)ccc1Br)c1ccncc1 ZINC000595485988 567568279 /nfs/dbraw/zinc/56/82/79/567568279.db2.gz FYGZRWHCXFIQAQ-SFHVURJKSA-N 1 0 388.265 3.284 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439332020 567581840 /nfs/dbraw/zinc/58/18/40/567581840.db2.gz SLGMWWPKCMKIIV-UHFFFAOYSA-N 1 0 378.314 3.391 20 30 GGEDRO C[NH+](C)C[C@H](CNC(=O)c1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000571767679 567588324 /nfs/dbraw/zinc/58/83/24/567588324.db2.gz ODVOVSSYGIQKQN-AWEZNQCLSA-N 1 0 377.275 3.335 20 30 GGEDRO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000571865180 567595777 /nfs/dbraw/zinc/59/57/77/567595777.db2.gz FGTIMYKRCOHIFE-OAHLLOKOSA-N 1 0 378.314 3.348 20 30 GGEDRO N#CC1(NC(=O)C[N@H+](Cc2cccc(Br)c2)CC2CC2)CCC1 ZINC000530394451 567597542 /nfs/dbraw/zinc/59/75/42/567597542.db2.gz VQIQMEXGBWNOCC-UHFFFAOYSA-N 1 0 376.298 3.224 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000572030501 567608113 /nfs/dbraw/zinc/60/81/13/567608113.db2.gz VJYNDXDZOGCPNO-KRWDZBQOSA-N 1 0 375.266 3.045 20 30 GGEDRO C[C@H]([NH2+]C1(CNc2nc(C#N)c(Cl)s2)CCOCC1)c1ccccc1 ZINC000596126125 567609747 /nfs/dbraw/zinc/60/97/47/567609747.db2.gz HMXTZFMIJLSWOL-ZDUSSCGKSA-N 1 0 376.913 3.402 20 30 GGEDRO N#Cc1c(Br)cccc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000439957217 567610123 /nfs/dbraw/zinc/61/01/23/567610123.db2.gz CFDMXBBXEDGKMT-MRXNPFEDSA-N 1 0 386.293 3.152 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1OCC ZINC000530644103 567616082 /nfs/dbraw/zinc/61/60/82/567616082.db2.gz BEHWACSICLZQCI-OAHLLOKOSA-N 1 0 397.313 3.123 20 30 GGEDRO Cc1cc(CN2CCN(c3ccc(C#N)cn3)CC2)sc1Br ZINC000506479558 567627743 /nfs/dbraw/zinc/62/77/43/567627743.db2.gz XFXKUAKVFPZBIR-UHFFFAOYSA-N 1 0 377.311 3.408 20 30 GGEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000596461385 567634485 /nfs/dbraw/zinc/63/44/85/567634485.db2.gz HRUASBVMAZXMFG-SFHVURJKSA-N 1 0 385.309 3.469 20 30 GGEDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000596461384 567634649 /nfs/dbraw/zinc/63/46/49/567634649.db2.gz HRUASBVMAZXMFG-GOSISDBHSA-N 1 0 385.309 3.469 20 30 GGEDRO COc1cc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)ccc1C#N ZINC000440627989 567635242 /nfs/dbraw/zinc/63/52/42/567635242.db2.gz JNGBJWSYBJEIBQ-OAHLLOKOSA-N 1 0 389.293 3.270 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000480904649 567641371 /nfs/dbraw/zinc/64/13/71/567641371.db2.gz YCMLIAZHKHLBNA-UGSOOPFHSA-N 1 0 377.897 3.181 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000480904647 567641638 /nfs/dbraw/zinc/64/16/38/567641638.db2.gz YCMLIAZHKHLBNA-FZKQIMNGSA-N 1 0 377.897 3.181 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)cc1 ZINC000459689037 567650423 /nfs/dbraw/zinc/65/04/23/567650423.db2.gz DVQVUUZQWTWELU-MRXNPFEDSA-N 1 0 377.257 3.401 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)s1 ZINC000459698762 567651166 /nfs/dbraw/zinc/65/11/66/567651166.db2.gz LGRXDVHVASDZHR-LBPRGKRZSA-N 1 0 383.286 3.462 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)c1 ZINC000459775590 567657973 /nfs/dbraw/zinc/65/79/73/567657973.db2.gz MMCKZXPMCAJGGU-UHFFFAOYSA-N 1 0 388.309 3.091 20 30 GGEDRO N#Cc1cc(Br)ccc1C[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000459764050 567658058 /nfs/dbraw/zinc/65/80/58/567658058.db2.gz BGPVNOOINOOWLU-UHFFFAOYSA-N 1 0 388.309 3.091 20 30 GGEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000507221766 567668738 /nfs/dbraw/zinc/66/87/38/567668738.db2.gz OAODANGFUVEXHX-LBPRGKRZSA-N 1 0 398.315 3.494 20 30 GGEDRO Cc1cccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c1Br ZINC000572870352 567670684 /nfs/dbraw/zinc/67/06/84/567670684.db2.gz MMYWNYXKSWRYFP-KRWDZBQOSA-N 1 0 389.293 3.353 20 30 GGEDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000507266299 567672996 /nfs/dbraw/zinc/67/29/96/567672996.db2.gz UIROQXISEHKLIG-AWEZNQCLSA-N 1 0 377.897 3.149 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cncc(Br)c1 ZINC000572900541 567674446 /nfs/dbraw/zinc/67/44/46/567674446.db2.gz INPCQYHKCMABKY-ACJLOTCBSA-N 1 0 399.292 3.167 20 30 GGEDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000572916556 567675279 /nfs/dbraw/zinc/67/52/79/567675279.db2.gz IEZYBADYYLPNFJ-CQSZACIVSA-N 1 0 383.945 3.094 20 30 GGEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000623428527 567708665 /nfs/dbraw/zinc/70/86/65/567708665.db2.gz NQGRGVCXJYIYCV-LSDHHAIUSA-N 1 0 387.929 3.359 20 30 GGEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1OC ZINC000623428524 567708859 /nfs/dbraw/zinc/70/88/59/567708859.db2.gz NQGRGVCXJYIYCV-CABCVRRESA-N 1 0 387.929 3.359 20 30 GGEDRO C=CCOc1c(Cl)cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1OC ZINC000623435194 567710416 /nfs/dbraw/zinc/71/04/16/567710416.db2.gz WYTUNYNIOUJQCG-UHFFFAOYSA-N 1 0 375.918 3.216 20 30 GGEDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000597676664 567710923 /nfs/dbraw/zinc/71/09/23/567710923.db2.gz BMZPHNXUIYAWNZ-LBPRGKRZSA-N 1 0 382.291 3.190 20 30 GGEDRO COc1cc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)ccc1C#N ZINC000442890245 567715948 /nfs/dbraw/zinc/71/59/48/567715948.db2.gz NZWAELXNFQSDEP-KRWDZBQOSA-N 1 0 375.266 3.495 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C(N)=O)cc1 ZINC000461105858 567719830 /nfs/dbraw/zinc/71/98/30/567719830.db2.gz ZIUKLRYLHJHABC-KBAYOESNSA-N 1 0 384.277 3.383 20 30 GGEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc1OC ZINC000623549957 567720404 /nfs/dbraw/zinc/72/04/04/567720404.db2.gz WSEHPJNFEGAYBQ-UHFFFAOYSA-N 1 0 375.918 3.216 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443010988 567722756 /nfs/dbraw/zinc/72/27/56/567722756.db2.gz GAICZSRCMVYIIG-CKEIUWERSA-N 1 0 381.929 3.238 20 30 GGEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000443027053 567726422 /nfs/dbraw/zinc/72/64/22/567726422.db2.gz OEBNASQTMDKMKQ-UHFFFAOYSA-N 1 0 381.929 3.098 20 30 GGEDRO COc1cc(C)c(Br)cc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000508405026 567747169 /nfs/dbraw/zinc/74/71/69/567747169.db2.gz VTDQHKXDRBTWCB-UHFFFAOYSA-N 1 0 382.302 3.074 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000443349625 567751530 /nfs/dbraw/zinc/75/15/30/567751530.db2.gz VGTQRXDEFSAWDT-DGCLKSJQSA-N 1 0 381.295 3.473 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000554919231 567756488 /nfs/dbraw/zinc/75/64/88/567756488.db2.gz PWTWFXPKABUTJK-KRWDZBQOSA-N 1 0 377.897 3.101 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667674187 567763718 /nfs/dbraw/zinc/76/37/18/567763718.db2.gz CWYITIDUPBAKLI-SWLSCSKDSA-N 1 0 380.286 3.230 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000598594941 567778771 /nfs/dbraw/zinc/77/87/71/567778771.db2.gz OSIDQPYREMLVCN-INIZCTEOSA-N 1 0 381.314 3.345 20 30 GGEDRO COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)CC(C)(C)C#N ZINC000598607625 567778794 /nfs/dbraw/zinc/77/87/94/567778794.db2.gz BKMPLGFKEVCPGA-ZDUSSCGKSA-N 1 0 375.332 3.260 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000598593418 567779179 /nfs/dbraw/zinc/77/91/79/567779179.db2.gz AAVZHYNXVTWMLP-MRXNPFEDSA-N 1 0 381.314 3.345 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Br)cc1OCCCO ZINC000598620099 567780431 /nfs/dbraw/zinc/78/04/31/567780431.db2.gz YJAXGEUZECCLLR-HIFRSBDPSA-N 1 0 399.329 3.162 20 30 GGEDRO COC(=O)C[C@](C)([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000598617451 567780521 /nfs/dbraw/zinc/78/05/21/567780521.db2.gz ROAOKIPJWKXCOJ-QAPCUYQASA-N 1 0 397.313 3.118 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000598722773 567785596 /nfs/dbraw/zinc/78/55/96/567785596.db2.gz ASCUYAOVZNMUJN-INIZCTEOSA-N 1 0 377.286 3.025 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000598728484 567785623 /nfs/dbraw/zinc/78/56/23/567785623.db2.gz SNBDBSBZCVTNKR-GOSISDBHSA-N 1 0 394.357 3.304 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(Cl)cc1I ZINC000598723299 567786043 /nfs/dbraw/zinc/78/60/43/567786043.db2.gz GBJHSQBXKDQMSM-LBPRGKRZSA-N 1 0 392.668 3.335 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000598720412 567786129 /nfs/dbraw/zinc/78/61/29/567786129.db2.gz MWGBIQAVFBNIOD-YOEHRIQHSA-N 1 0 380.330 3.166 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1OC ZINC000647532999 567789667 /nfs/dbraw/zinc/78/96/67/567789667.db2.gz JKGRVJVXKQMKKJ-GOEBONIOSA-N 1 0 381.314 3.206 20 30 GGEDRO C=C(C)COCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000574869042 567800873 /nfs/dbraw/zinc/80/08/73/567800873.db2.gz KSWYHHLDGSCQBT-CYBMUJFWSA-N 1 0 378.694 3.025 20 30 GGEDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000014200955 570295838 /nfs/dbraw/zinc/29/58/38/570295838.db2.gz UMXZHSKIJGXQOE-DYESRHJHSA-N 1 0 382.460 3.152 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000032831178 570843524 /nfs/dbraw/zinc/84/35/24/570843524.db2.gz AZQHXPBRXMNQDN-IAGOWNOFSA-N 1 0 378.476 3.489 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000170591039 570848945 /nfs/dbraw/zinc/84/89/45/570848945.db2.gz FFEAREDFQPQESK-JTQLQIEISA-N 1 0 380.279 3.482 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000012780396 571034031 /nfs/dbraw/zinc/03/40/31/571034031.db2.gz PLJVAVABPVNRST-UHFFFAOYSA-N 1 0 376.460 3.238 20 30 GGEDRO C=CC[N@H+](Cc1ccccc1)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000735426276 598850333 /nfs/dbraw/zinc/85/03/33/598850333.db2.gz ODUARGGORUZEJH-UHFFFAOYSA-N 1 0 386.463 3.079 20 30 GGEDRO C[C@H](CCN(C)Cc1cccc(C#N)c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820242947 607264124 /nfs/dbraw/zinc/26/41/24/607264124.db2.gz ROAGNICPUXEORZ-QGZVFWFLSA-N 1 0 389.507 3.081 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736534973 598758540 /nfs/dbraw/zinc/75/85/40/598758540.db2.gz PDAILDIWNRHMMA-OAHLLOKOSA-N 1 0 389.463 3.150 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000736534270 598758739 /nfs/dbraw/zinc/75/87/39/598758739.db2.gz KCWWWFZPDCCAKY-OAHLLOKOSA-N 1 0 389.463 3.150 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820413513 599389452 /nfs/dbraw/zinc/38/94/52/599389452.db2.gz RGGLUNWNOYWPFY-NEPJUHHUSA-N 1 0 395.854 3.070 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000736813361 600593502 /nfs/dbraw/zinc/59/35/02/600593502.db2.gz DJAQSZWXJXPOQN-JKSBSHDWSA-N 1 0 393.487 3.083 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000828455686 601299372 /nfs/dbraw/zinc/29/93/72/601299372.db2.gz FFNLIDRWZWKEGJ-DRSNIGMVSA-N 1 0 393.487 3.083 20 30 GGEDRO CC(C)[N@H+](CCCOc1cccc(C#N)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820116867 606889032 /nfs/dbraw/zinc/88/90/32/606889032.db2.gz QNYYZYXWZUEISH-UHFFFAOYSA-N 1 0 376.464 3.418 20 30 GGEDRO C=CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915027 608581952 /nfs/dbraw/zinc/58/19/52/608581952.db2.gz ROXNGWUPGBSNTA-UHFFFAOYSA-N 1 0 385.475 3.455 20 30 GGEDRO C=CCOc1ccccc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823931877 608679420 /nfs/dbraw/zinc/67/94/20/608679420.db2.gz IRJAVDCLCOKVIM-UHFFFAOYSA-N 1 0 391.475 3.475 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000053019649 1406261976 /nfs/dbraw/zinc/26/19/76/1406261976.db2.gz LBGTZRWLGBQDLV-UHFFFAOYSA-N 1 0 393.915 3.121 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000053304009 1406359780 /nfs/dbraw/zinc/35/97/80/1406359780.db2.gz MYTLVQNHSUCFMQ-IRXDYDNUSA-N 1 0 387.572 3.219 20 30 GGEDRO C[NH+](C)CCOc1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000053993114 1406580995 /nfs/dbraw/zinc/58/09/95/1406580995.db2.gz VNGRSPCVEKDZOS-UHFFFAOYSA-N 1 0 383.517 3.048 20 30 GGEDRO COc1ccc(C(=[NH2+])NOC=C(O)c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000054230696 1406661884 /nfs/dbraw/zinc/66/18/84/1406661884.db2.gz ZNJCJGMVRUOROJ-UHFFFAOYSA-N 1 0 384.461 3.079 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000054377252 1406708552 /nfs/dbraw/zinc/70/85/52/1406708552.db2.gz ZITOOCVYQKKWTI-UHFFFAOYSA-N 1 0 392.459 3.069 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000054443618 1406737905 /nfs/dbraw/zinc/73/79/05/1406737905.db2.gz UTGBENMINBVLFD-IRXDYDNUSA-N 1 0 386.540 3.480 20 30 GGEDRO Cc1cc(C)cc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054454771 1406741709 /nfs/dbraw/zinc/74/17/09/1406741709.db2.gz MOPJLBAWEXTZTL-UHFFFAOYSA-N 1 0 376.504 3.322 20 30 GGEDRO N#Cc1ccc(CCC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000054573134 1406772569 /nfs/dbraw/zinc/77/25/69/1406772569.db2.gz VMOLHYADCRPDIL-UHFFFAOYSA-N 1 0 390.531 3.209 20 30 GGEDRO Cc1cccc(OC[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000054616272 1406786347 /nfs/dbraw/zinc/78/63/47/1406786347.db2.gz FYQXAQXZHWNUHG-LJQANCHMSA-N 1 0 394.519 3.407 20 30 GGEDRO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054643131 1406794019 /nfs/dbraw/zinc/79/40/19/1406794019.db2.gz SDCXNNIXHRBMOU-FQEVSTJZSA-N 1 0 390.531 3.286 20 30 GGEDRO CCc1cccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054642652 1406793264 /nfs/dbraw/zinc/79/32/64/1406793264.db2.gz QFGNHOUQSGLXHA-UHFFFAOYSA-N 1 0 376.504 3.267 20 30 GGEDRO CC(C)(C)NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(CO)c1 ZINC000055014627 1406871058 /nfs/dbraw/zinc/87/10/58/1406871058.db2.gz CNURSMICVGBRFE-UHFFFAOYSA-O 1 0 379.452 3.072 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000055030638 1406873254 /nfs/dbraw/zinc/87/32/54/1406873254.db2.gz FJVZBSZTLQHBKI-UHFFFAOYSA-N 1 0 391.475 3.173 20 30 GGEDRO CC1CCC(N(C)C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000055172040 1406897427 /nfs/dbraw/zinc/89/74/27/1406897427.db2.gz LRCCZYDTTJUKOI-UHFFFAOYSA-N 1 0 382.552 3.103 20 30 GGEDRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000008351801 1398825373 /nfs/dbraw/zinc/82/53/73/1398825373.db2.gz WVZXMARCAPZPDT-MRXNPFEDSA-N 1 0 377.444 3.338 20 30 GGEDRO COc1cc(/C=C/C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1OCC#N ZINC000015918970 1399200711 /nfs/dbraw/zinc/20/07/11/1399200711.db2.gz JSTJDSLVZWNXOC-RDELFYGPSA-N 1 0 379.460 3.030 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000016734797 1399259402 /nfs/dbraw/zinc/25/94/02/1399259402.db2.gz KILHNMCTUUJTKN-FPOVZHCZSA-N 1 0 381.501 3.004 20 30 GGEDRO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000017911443 1399294295 /nfs/dbraw/zinc/29/42/95/1399294295.db2.gz OKSJCJPTFMTSQY-JTSKRJEESA-N 1 0 393.487 3.287 20 30 GGEDRO C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406199 1399378838 /nfs/dbraw/zinc/37/88/38/1399378838.db2.gz FRLKNLZWGRHABX-INIZCTEOSA-N 1 0 398.457 3.371 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000022197596 1399444836 /nfs/dbraw/zinc/44/48/36/1399444836.db2.gz DRYFWGYJZCJKDG-UHFFFAOYSA-N 1 0 394.544 3.255 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(CC)cc1 ZINC000022688034 1399491765 /nfs/dbraw/zinc/49/17/65/1399491765.db2.gz RZDHYMABHVVQSE-UHFFFAOYSA-O 1 0 384.481 3.468 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Cl)cc1)C(=S)NCCOC ZINC000022791751 1399504193 /nfs/dbraw/zinc/50/41/93/1399504193.db2.gz SLUMEYWQMJYXFN-UHFFFAOYSA-O 1 0 377.917 3.365 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NCCOC)cc1 ZINC000022791730 1399504356 /nfs/dbraw/zinc/50/43/56/1399504356.db2.gz HBOUVZKDXMPUNF-UHFFFAOYSA-O 1 0 377.917 3.365 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccc(Cl)cc1Cl)[n+]1ccccc1 ZINC000022791585 1399504419 /nfs/dbraw/zinc/50/44/19/1399504419.db2.gz DAQPRVVVKLGDAL-UHFFFAOYSA-O 1 0 384.308 3.456 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(N(C)C)cc1 ZINC000022797626 1399505052 /nfs/dbraw/zinc/50/50/52/1399505052.db2.gz VFKBVHREOOGZIF-UHFFFAOYSA-O 1 0 390.479 3.423 20 30 GGEDRO CCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(N(C)C)cc1 ZINC000022804859 1399506588 /nfs/dbraw/zinc/50/65/88/1399506588.db2.gz XPZXZRJJWMFDNH-UHFFFAOYSA-O 1 0 378.468 3.257 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)Cc1ccccc1 ZINC000023197003 1399538364 /nfs/dbraw/zinc/53/83/64/1399538364.db2.gz GIYFNXDSLSHKLL-RXVVDRJESA-N 1 0 379.504 3.395 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000023409297 1399557493 /nfs/dbraw/zinc/55/74/93/1399557493.db2.gz HHJRNTWUJHYIDF-GOSISDBHSA-N 1 0 377.444 3.319 20 30 GGEDRO COc1cc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)ccc1OC(F)F ZINC000023408729 1399557581 /nfs/dbraw/zinc/55/75/81/1399557581.db2.gz NAAVRHNPGAXHIK-MRXNPFEDSA-N 1 0 392.402 3.040 20 30 GGEDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000023674810 1399579085 /nfs/dbraw/zinc/57/90/85/1399579085.db2.gz YSFKRPFXHPQBQC-PGRDOPGGSA-N 1 0 382.460 3.056 20 30 GGEDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000023675305 1399579459 /nfs/dbraw/zinc/57/94/59/1399579459.db2.gz KQLLZTZYOHZUNJ-CVDCTZTESA-N 1 0 396.487 3.250 20 30 GGEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)N3CCc4cc(F)ccc43)CC2)c1 ZINC000024973450 1399704871 /nfs/dbraw/zinc/70/48/71/1399704871.db2.gz YHZBEHYJYVSZCT-UHFFFAOYSA-N 1 0 378.451 3.434 20 30 GGEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000055673489 1407050772 /nfs/dbraw/zinc/05/07/72/1407050772.db2.gz VBNXFEJISNFPCZ-UHFFFAOYSA-N 1 0 375.472 3.305 20 30 GGEDRO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000025303764 1399793150 /nfs/dbraw/zinc/79/31/50/1399793150.db2.gz FDWBOIHMQRGFHK-QHCPKHFHSA-N 1 0 393.531 3.123 20 30 GGEDRO CC(C)[C@H](CNC(=O)COc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000025536509 1399817656 /nfs/dbraw/zinc/81/76/56/1399817656.db2.gz ASEMBDPHYJIYDK-NRFANRHFSA-N 1 0 377.488 3.136 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000026297913 1399876453 /nfs/dbraw/zinc/87/64/53/1399876453.db2.gz XUDGZUISOTWEIX-YADARESESA-N 1 0 392.547 3.400 20 30 GGEDRO N#CC1(NC(=O)CN2CC[NH+](Cc3cccc4ccccc43)CC2)CCCCC1 ZINC000026297890 1399876657 /nfs/dbraw/zinc/87/66/57/1399876657.db2.gz RECZRSGMXDKTTM-UHFFFAOYSA-N 1 0 390.531 3.300 20 30 GGEDRO CCOc1ccc(CN2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000026340769 1399880030 /nfs/dbraw/zinc/88/00/30/1399880030.db2.gz RSGNGASNFBAGMB-UHFFFAOYSA-N 1 0 392.503 3.103 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000026340976 1399880071 /nfs/dbraw/zinc/88/00/71/1399880071.db2.gz YMUURMNRPICOQK-GOSISDBHSA-N 1 0 376.460 3.238 20 30 GGEDRO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CC(C)C ZINC000026450084 1399891317 /nfs/dbraw/zinc/89/13/17/1399891317.db2.gz ARQPSRCAXXXDOD-UHFFFAOYSA-N 1 0 386.496 3.161 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000026715754 1399924434 /nfs/dbraw/zinc/92/44/34/1399924434.db2.gz XFUWSTUFDSTTQL-ICSRJNTNSA-N 1 0 386.517 3.235 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000026909124 1399950665 /nfs/dbraw/zinc/95/06/65/1399950665.db2.gz WWZIFAOCQLNODO-UHFFFAOYSA-N 1 0 378.476 3.026 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000026964359 1399958002 /nfs/dbraw/zinc/95/80/02/1399958002.db2.gz GMEKYFFAWODARK-UHFFFAOYSA-N 1 0 376.504 3.199 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000027036558 1399970187 /nfs/dbraw/zinc/97/01/87/1399970187.db2.gz FSTUWWVZTMKZKP-NEPJUHHUSA-N 1 0 398.850 3.220 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1cccc(CO)c1 ZINC000027058909 1399975632 /nfs/dbraw/zinc/97/56/32/1399975632.db2.gz UPVGDMGRTZXPJD-UHFFFAOYSA-O 1 0 383.537 3.414 20 30 GGEDRO N#Cc1c(NC(=O)CN2CC[NH+](C3CCCC3)CC2)sc2c1CCCCC2 ZINC000027118408 1399985471 /nfs/dbraw/zinc/98/54/71/1399985471.db2.gz VBACGAVEGBAONO-UHFFFAOYSA-N 1 0 386.565 3.387 20 30 GGEDRO CNC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1cccc(C)c1 ZINC000027301881 1400017618 /nfs/dbraw/zinc/01/76/18/1400017618.db2.gz UUABJYCOVNTLFH-UHFFFAOYSA-O 1 0 384.525 3.425 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1cccc(C)c1 ZINC000027311363 1400018224 /nfs/dbraw/zinc/01/82/24/1400018224.db2.gz MJKFEKPUELLEAH-UHFFFAOYSA-O 1 0 382.509 3.345 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1cc2ccccc2o1)C(=S)NCCOC ZINC000027308619 1400018510 /nfs/dbraw/zinc/01/85/10/1400018510.db2.gz ZTVBPHJIJBYFPX-UHFFFAOYSA-O 1 0 383.493 3.458 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(N(C)C)cc1 ZINC000027324110 1400019077 /nfs/dbraw/zinc/01/90/77/1400019077.db2.gz PXEXXHRXDHGZRA-UHFFFAOYSA-O 1 0 386.541 3.377 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccccc1CC ZINC000027318114 1400019096 /nfs/dbraw/zinc/01/90/96/1400019096.db2.gz BYXGJPZANQTFJY-UHFFFAOYSA-O 1 0 387.525 3.492 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NCCCSC)[n+]1ccccc1 ZINC000027478847 1400045507 /nfs/dbraw/zinc/04/55/07/1400045507.db2.gz VLCSYKLTPMJILE-UHFFFAOYSA-O 1 0 375.539 3.264 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)COc1ccccc1C#N)[NH+]1CCCCC1 ZINC000055752104 1407074193 /nfs/dbraw/zinc/07/41/93/1407074193.db2.gz LBPZNVNDMOHATI-HXUWFJFHSA-N 1 0 393.487 3.289 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)COc1ccccc1C#N)[NH+]1CCCCC1 ZINC000055752105 1407074418 /nfs/dbraw/zinc/07/44/18/1407074418.db2.gz LBPZNVNDMOHATI-FQEVSTJZSA-N 1 0 393.487 3.289 20 30 GGEDRO C=CCc1cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000027587096 1400063001 /nfs/dbraw/zinc/06/30/01/1400063001.db2.gz ANHZAMGZEFGIIA-HXUWFJFHSA-N 1 0 382.504 3.335 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000055757797 1407076383 /nfs/dbraw/zinc/07/63/83/1407076383.db2.gz SRZUCSGTZZFYGH-KZNAEPCWSA-N 1 0 387.524 3.208 20 30 GGEDRO COc1ccccc1NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961369 1400216661 /nfs/dbraw/zinc/21/66/61/1400216661.db2.gz LVNLHAXOEGORIL-SFHVURJKSA-N 1 0 392.503 3.102 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000028961201 1400216811 /nfs/dbraw/zinc/21/68/11/1400216811.db2.gz GCXGJTJYQVIOFB-UHFFFAOYSA-N 1 0 388.515 3.193 20 30 GGEDRO CCOc1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028960490 1400216831 /nfs/dbraw/zinc/21/68/31/1400216831.db2.gz GRIYXXKJLZOXIG-UHFFFAOYSA-N 1 0 392.503 3.103 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029827732 1400358767 /nfs/dbraw/zinc/35/87/67/1400358767.db2.gz QTMLHUZPZHVPDW-QZTJIDSGSA-N 1 0 377.444 3.319 20 30 GGEDRO CCCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000029928483 1400380748 /nfs/dbraw/zinc/38/07/48/1400380748.db2.gz LUIIGWVUMCJUTQ-UHFFFAOYSA-N 1 0 390.915 3.169 20 30 GGEDRO COc1ccc(NC(=O)CC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000055900759 1407125460 /nfs/dbraw/zinc/12/54/60/1407125460.db2.gz ZYRLKGRXFIPBNF-UHFFFAOYSA-N 1 0 392.503 3.103 20 30 GGEDRO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)c(C)c2)CC1 ZINC000056170226 1407238687 /nfs/dbraw/zinc/23/86/87/1407238687.db2.gz MLECBXAJIILTCN-SFHVURJKSA-N 1 0 391.519 3.448 20 30 GGEDRO CSc1nc(C2CC2)cc(C(=O)NCC[N@H+](C)Cc2ccccc2)c1C#N ZINC000056191983 1407247079 /nfs/dbraw/zinc/24/70/79/1407247079.db2.gz LNGGDNCFOQNGNM-UHFFFAOYSA-N 1 0 380.517 3.414 20 30 GGEDRO N#Cc1ccccc1OCC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000056479090 1407344474 /nfs/dbraw/zinc/34/44/74/1407344474.db2.gz KDLVSAKLIPICAJ-UHFFFAOYSA-N 1 0 390.487 3.108 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)CN2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000056495751 1407348176 /nfs/dbraw/zinc/34/81/76/1407348176.db2.gz NBTLLXSFQNVTCW-QFIPXVFZSA-N 1 0 385.552 3.080 20 30 GGEDRO C[NH+](C)C1(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CCCCC1 ZINC000043109314 1403710354 /nfs/dbraw/zinc/71/03/54/1403710354.db2.gz PXUNFFLBIAEQDK-UHFFFAOYSA-N 1 0 383.540 3.044 20 30 GGEDRO CCc1ccc([C@H](CNC(=O)CCc2c(C)nn(CCC#N)c2C)[NH+](C)C)cc1 ZINC000043728994 1403809011 /nfs/dbraw/zinc/80/90/11/1403809011.db2.gz DEVZRCKNSLTSRF-QFIPXVFZSA-N 1 0 395.551 3.328 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccc(CC)cc1 ZINC000044546625 1403948190 /nfs/dbraw/zinc/94/81/90/1403948190.db2.gz IWFNGTFCSJCECF-UHFFFAOYSA-O 1 0 394.520 3.136 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCC(=O)N2)C(=S)NC(C)C ZINC000044557252 1403950802 /nfs/dbraw/zinc/95/08/02/1403950802.db2.gz QAYVFRLPAUVKQZ-UHFFFAOYSA-O 1 0 396.536 3.358 20 30 GGEDRO Cc1cnn(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2)c1 ZINC000044566415 1403951633 /nfs/dbraw/zinc/95/16/33/1403951633.db2.gz OSMVWTZHOAAHPA-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO COc1cccc(SCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000044566549 1403952072 /nfs/dbraw/zinc/95/20/72/1403952072.db2.gz QTAXSTBKNOLOLR-UHFFFAOYSA-N 1 0 383.517 3.249 20 30 GGEDRO CC1=NN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000044566525 1403952367 /nfs/dbraw/zinc/95/23/67/1403952367.db2.gz FLWVDERLHQDOHM-UHFFFAOYSA-N 1 0 389.503 3.348 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)NCCSCc1ccccc1C#N)c1cccs1 ZINC000045572841 1404148946 /nfs/dbraw/zinc/14/89/46/1404148946.db2.gz LHDSYUAESFMMGP-KRWDZBQOSA-N 1 0 388.562 3.455 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000045684836 1404176613 /nfs/dbraw/zinc/17/66/13/1404176613.db2.gz CYWFPGAJGYIJNP-UHFFFAOYSA-N 1 0 376.460 3.238 20 30 GGEDRO C[NH+](C)Cc1cccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000046008016 1404270447 /nfs/dbraw/zinc/27/04/47/1404270447.db2.gz SLNVLCWJJNKVER-UHFFFAOYSA-N 1 0 377.492 3.364 20 30 GGEDRO COCc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046032763 1404280760 /nfs/dbraw/zinc/28/07/60/1404280760.db2.gz SDEBVJZDJXTASA-UHFFFAOYSA-N 1 0 378.476 3.444 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000046044681 1404282472 /nfs/dbraw/zinc/28/24/72/1404282472.db2.gz MHMGFNRXRQDTNX-UHFFFAOYSA-N 1 0 380.492 3.278 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CCc1nnc(-c2ccccc2)o1)C(C)C ZINC000046049145 1404285116 /nfs/dbraw/zinc/28/51/16/1404285116.db2.gz MYMQTUGCIRMBQY-IBGZPJMESA-N 1 0 382.508 3.484 20 30 GGEDRO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086874 1404293280 /nfs/dbraw/zinc/29/32/80/1404293280.db2.gz DTJXEDKSGHBFJQ-NRFANRHFSA-N 1 0 379.504 3.127 20 30 GGEDRO CCOCc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000046176839 1404321503 /nfs/dbraw/zinc/32/15/03/1404321503.db2.gz XYMLLGCFMSKPFF-UHFFFAOYSA-N 1 0 394.519 3.368 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(OC)c1 ZINC000046343145 1404373250 /nfs/dbraw/zinc/37/32/50/1404373250.db2.gz MMMSQIJZZLUCQR-IBGZPJMESA-N 1 0 399.487 3.067 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375739 1404388916 /nfs/dbraw/zinc/38/89/16/1404388916.db2.gz JEWNVENVTHSXGP-UHFFFAOYSA-N 1 0 393.535 3.258 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000046714536 1404562174 /nfs/dbraw/zinc/56/21/74/1404562174.db2.gz HJKAISVOAXBHQH-SFHVURJKSA-N 1 0 377.488 3.485 20 30 GGEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000046752141 1404577601 /nfs/dbraw/zinc/57/76/01/1404577601.db2.gz JUTDMFPJGFZLCT-FQEVSTJZSA-N 1 0 397.567 3.292 20 30 GGEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000046752140 1404578020 /nfs/dbraw/zinc/57/80/20/1404578020.db2.gz JUTDMFPJGFZLCT-HXUWFJFHSA-N 1 0 397.567 3.292 20 30 GGEDRO C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046831547 1404606165 /nfs/dbraw/zinc/60/61/65/1404606165.db2.gz OZTHNBNNWIWIQK-DENIHFKCSA-N 1 0 398.551 3.371 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)C(C)C ZINC000046905579 1404630486 /nfs/dbraw/zinc/63/04/86/1404630486.db2.gz QVAMYPFDGMYBTP-UZLBHIALSA-N 1 0 384.524 3.240 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000046949359 1404649289 /nfs/dbraw/zinc/64/92/89/1404649289.db2.gz UKCIINHBHGCPCL-LJQANCHMSA-N 1 0 387.524 3.353 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(F)c(Cl)c1 ZINC000047011662 1404673331 /nfs/dbraw/zinc/67/33/31/1404673331.db2.gz QNTNLQVDLLDIBI-UHFFFAOYSA-N 1 0 389.858 3.320 20 30 GGEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(OC)c1C ZINC000047010332 1404673660 /nfs/dbraw/zinc/67/36/60/1404673660.db2.gz ZVANWMVGKGQCHA-UHFFFAOYSA-N 1 0 381.476 3.088 20 30 GGEDRO COc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000047010564 1404674681 /nfs/dbraw/zinc/67/46/81/1404674681.db2.gz ACMVJTJIJUXIGL-UHFFFAOYSA-N 1 0 395.503 3.098 20 30 GGEDRO Cc1ccnn1-c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047011178 1404674835 /nfs/dbraw/zinc/67/48/35/1404674835.db2.gz XNOYNJRNIRSSHR-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(C#N)cc1 ZINC000047052625 1404688348 /nfs/dbraw/zinc/68/83/48/1404688348.db2.gz GSOXNBMJRJUCAW-SFHVURJKSA-N 1 0 387.487 3.408 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000047234320 1404761010 /nfs/dbraw/zinc/76/10/10/1404761010.db2.gz SKGOBYJPAMDQRL-UHFFFAOYSA-N 1 0 398.488 3.149 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000047281072 1404785489 /nfs/dbraw/zinc/78/54/89/1404785489.db2.gz SBGRZLQQEHARIP-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3-n3cccn3)CC2)cc1 ZINC000047296899 1404793926 /nfs/dbraw/zinc/79/39/26/1404793926.db2.gz HBHQWQVYIKZDHD-UHFFFAOYSA-N 1 0 385.471 3.092 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1C#N ZINC000047405526 1404828201 /nfs/dbraw/zinc/82/82/01/1404828201.db2.gz UJCYNIRMBZMNFY-QGZVFWFLSA-N 1 0 396.491 3.057 20 30 GGEDRO C=CCNC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000047605859 1404877631 /nfs/dbraw/zinc/87/76/31/1404877631.db2.gz JTZSUOGOKRGBOO-UHFFFAOYSA-N 1 0 384.446 3.093 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1OC ZINC000047675255 1404891458 /nfs/dbraw/zinc/89/14/58/1404891458.db2.gz PVKBSAMPNPQHRI-UHFFFAOYSA-N 1 0 381.476 3.217 20 30 GGEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000047726352 1404905061 /nfs/dbraw/zinc/90/50/61/1404905061.db2.gz FHDMCYQLSFWINZ-OAQYLSRUSA-N 1 0 381.476 3.169 20 30 GGEDRO COc1cccc([C@H](CNC(=O)NCC#Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000047986317 1405018501 /nfs/dbraw/zinc/01/85/01/1405018501.db2.gz XTBLGCZOSASKPE-QFIPXVFZSA-N 1 0 377.488 3.183 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000048160438 1405079395 /nfs/dbraw/zinc/07/93/95/1405079395.db2.gz YJTCJMHBQPXCLV-KRWDZBQOSA-N 1 0 392.503 3.171 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000048161304 1405080135 /nfs/dbraw/zinc/08/01/35/1405080135.db2.gz DCYMJVHNQUNPCP-IBGZPJMESA-N 1 0 384.455 3.166 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000048160717 1405080359 /nfs/dbraw/zinc/08/03/59/1405080359.db2.gz HDFRVMLOXGIDBN-QZTJIDSGSA-N 1 0 386.540 3.482 20 30 GGEDRO C[NH+]1CCN(Cc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)CC1 ZINC000048226301 1405105858 /nfs/dbraw/zinc/10/58/58/1405105858.db2.gz MYEXDHVFDKKGDD-UHFFFAOYSA-N 1 0 394.544 3.178 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000048282972 1405127240 /nfs/dbraw/zinc/12/72/40/1405127240.db2.gz BRWWAGFQDPYPSD-NRFANRHFSA-N 1 0 380.492 3.449 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCC#Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000048415586 1405182868 /nfs/dbraw/zinc/18/28/68/1405182868.db2.gz SJRZVHJRYAZZRX-WOJBJXKFSA-N 1 0 391.515 3.147 20 30 GGEDRO N#CCOc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000048516385 1405213908 /nfs/dbraw/zinc/21/39/08/1405213908.db2.gz YVAVEPKVPTYLCG-UHFFFAOYSA-N 1 0 389.459 3.200 20 30 GGEDRO CC1CC[NH+]([C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)c2cccs2)CC1 ZINC000048828186 1405301506 /nfs/dbraw/zinc/30/15/06/1405301506.db2.gz LPXRTUVSNLTGEX-GOSISDBHSA-N 1 0 396.516 3.148 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000049353973 1405370914 /nfs/dbraw/zinc/37/09/14/1405370914.db2.gz YFAGKAONQWTSAI-UHFFFAOYSA-N 1 0 395.890 3.041 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000050031624 1405458507 /nfs/dbraw/zinc/45/85/07/1405458507.db2.gz IHMMBZSEKOGPGJ-GOSISDBHSA-N 1 0 377.488 3.183 20 30 GGEDRO C=CCc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(OC)c1 ZINC000050040915 1405461080 /nfs/dbraw/zinc/46/10/80/1405461080.db2.gz JRTLOZLGWUMVGJ-SFHVURJKSA-N 1 0 384.476 3.349 20 30 GGEDRO COc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000050090495 1405478221 /nfs/dbraw/zinc/47/82/21/1405478221.db2.gz ZRLOOKUTUJIKMD-UHFFFAOYSA-N 1 0 388.418 3.441 20 30 GGEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(C#N)ccc3OC)CC2)cc1 ZINC000050107704 1405483763 /nfs/dbraw/zinc/48/37/63/1405483763.db2.gz IKTPIGFBOAINQN-UHFFFAOYSA-N 1 0 394.475 3.315 20 30 GGEDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000050996234 1405698337 /nfs/dbraw/zinc/69/83/37/1405698337.db2.gz QIFRACGXHGXAKT-PMACEKPBSA-N 1 0 398.551 3.177 20 30 GGEDRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000050996231 1405699541 /nfs/dbraw/zinc/69/95/41/1405699541.db2.gz QIFRACGXHGXAKT-VQTJNVASSA-N 1 0 398.551 3.177 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000051098315 1405724283 /nfs/dbraw/zinc/72/42/83/1405724283.db2.gz HWNJCWBGHWXIGP-MRXNPFEDSA-N 1 0 377.554 3.064 20 30 GGEDRO CCN(CCC#N)C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000051127499 1405727342 /nfs/dbraw/zinc/72/73/42/1405727342.db2.gz HPDUWLMRLBWXQP-UHFFFAOYSA-N 1 0 390.531 3.156 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000051181038 1405738220 /nfs/dbraw/zinc/73/82/20/1405738220.db2.gz WEEQEHAGXFBFCZ-UHFFFAOYSA-N 1 0 380.448 3.053 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)Cc2cccc(C#N)c2)CC1 ZINC000051400974 1405804961 /nfs/dbraw/zinc/80/49/61/1405804961.db2.gz RYPOMOZOGNDPSN-UHFFFAOYSA-N 1 0 390.531 3.079 20 30 GGEDRO N#Cc1cccc(OCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000051406649 1405806132 /nfs/dbraw/zinc/80/61/32/1405806132.db2.gz JEHDNELWKNVYOU-UHFFFAOYSA-N 1 0 375.472 3.494 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000051760507 1405861491 /nfs/dbraw/zinc/86/14/91/1405861491.db2.gz PZJWEQQMXPCOOC-UHFFFAOYSA-N 1 0 397.567 3.038 20 30 GGEDRO C=CCc1cc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc(OC)c1OC ZINC000051778543 1405863018 /nfs/dbraw/zinc/86/30/18/1405863018.db2.gz VOYFPOVAHLMHCG-UHFFFAOYSA-N 1 0 389.540 3.306 20 30 GGEDRO C=CCc1cc(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000051778535 1405863221 /nfs/dbraw/zinc/86/32/21/1405863221.db2.gz ZXZZXGOURYHVPS-KRWDZBQOSA-N 1 0 389.540 3.354 20 30 GGEDRO CC(C)N(C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000052409130 1406043629 /nfs/dbraw/zinc/04/36/29/1406043629.db2.gz UILYGYAULMQXCI-UHFFFAOYSA-N 1 0 382.552 3.246 20 30 GGEDRO C[C@@H](Cc1ccsc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052582960 1406088369 /nfs/dbraw/zinc/08/83/69/1406088369.db2.gz OHBCLKIYPNTQII-KRWDZBQOSA-N 1 0 382.533 3.468 20 30 GGEDRO C[C@@H](COc1cccc(F)c1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000052581735 1406088948 /nfs/dbraw/zinc/08/89/48/1406088948.db2.gz UOANBSAGKSLZRW-KRWDZBQOSA-N 1 0 398.482 3.238 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(CC#N)c3)cc2)C[C@@H](C)O1 ZINC000052690468 1406124056 /nfs/dbraw/zinc/12/40/56/1406124056.db2.gz UVUWJVXAJUOAFO-QZTJIDSGSA-N 1 0 377.488 3.292 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(CC#N)c3)cc2)C[C@H](C)O1 ZINC000052690466 1406124143 /nfs/dbraw/zinc/12/41/43/1406124143.db2.gz UVUWJVXAJUOAFO-ROUUACIJSA-N 1 0 377.488 3.292 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052801315 1406174265 /nfs/dbraw/zinc/17/42/65/1406174265.db2.gz DYHXSHAQVJMTKM-UHFFFAOYSA-N 1 0 393.447 3.007 20 30 GGEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000052830009 1406191990 /nfs/dbraw/zinc/19/19/90/1406191990.db2.gz OYRDRFNMMXBIAF-MRXNPFEDSA-N 1 0 384.867 3.336 20 30 GGEDRO C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056769313 1407426552 /nfs/dbraw/zinc/42/65/52/1407426552.db2.gz CMBXSWXRFQGBRP-GOSISDBHSA-N 1 0 392.503 3.112 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000057174790 1407546029 /nfs/dbraw/zinc/54/60/29/1407546029.db2.gz UTODBZDLPBOCIE-UHFFFAOYSA-N 1 0 393.462 3.039 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(Oc3ccccc3OCC)nc2)CC1 ZINC000057175391 1407546169 /nfs/dbraw/zinc/54/61/69/1407546169.db2.gz YIORMJJLKNYVGJ-UHFFFAOYSA-N 1 0 393.487 3.234 20 30 GGEDRO N#CC1(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CCCC1 ZINC000057274351 1407577098 /nfs/dbraw/zinc/57/70/98/1407577098.db2.gz UVHCSIXHJDAZIN-UHFFFAOYSA-N 1 0 389.503 3.426 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000057605868 1407663330 /nfs/dbraw/zinc/66/33/30/1407663330.db2.gz KYTHGFOHNQJONO-NRFANRHFSA-N 1 0 380.492 3.019 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000057612678 1407665701 /nfs/dbraw/zinc/66/57/01/1407665701.db2.gz BXMBAEJJMUXAQE-KDURUIRLSA-N 1 0 386.540 3.084 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000057613217 1407666678 /nfs/dbraw/zinc/66/66/78/1407666678.db2.gz VOQBEVYOYMLGNK-IBGZPJMESA-N 1 0 386.540 3.228 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)ccc1OC ZINC000057960988 1407761741 /nfs/dbraw/zinc/76/17/41/1407761741.db2.gz KZHDYVQMEAJHER-UHFFFAOYSA-N 1 0 383.492 3.172 20 30 GGEDRO COCC[N@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000058397667 1407822920 /nfs/dbraw/zinc/82/29/20/1407822920.db2.gz LFTLAODAWNLILV-UHFFFAOYSA-N 1 0 385.895 3.367 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(CS(C)(=O)=O)cc1)C(C)C ZINC000058460643 1407832151 /nfs/dbraw/zinc/83/21/51/1407832151.db2.gz IWWYRTYHBNKXIZ-IBGZPJMESA-N 1 0 393.553 3.051 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000059001216 1407911494 /nfs/dbraw/zinc/91/14/94/1407911494.db2.gz LABRJZSKHVMSGF-UHFFFAOYSA-N 1 0 399.514 3.076 20 30 GGEDRO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000059746204 1407925038 /nfs/dbraw/zinc/92/50/38/1407925038.db2.gz NQDWBYLXJQYXIV-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO CC[N@H+](CC(=O)NCc1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477607 1407986206 /nfs/dbraw/zinc/98/62/06/1407986206.db2.gz INTHZFQWRQBGEK-MRXNPFEDSA-N 1 0 381.476 3.275 20 30 GGEDRO Cc1cc(C)c(OCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000060575776 1408005296 /nfs/dbraw/zinc/00/52/96/1408005296.db2.gz KWOQELIIDYLLQI-UHFFFAOYSA-N 1 0 379.504 3.453 20 30 GGEDRO Cc1cc(Cl)ccc1OCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000060575830 1408005541 /nfs/dbraw/zinc/00/55/41/1408005541.db2.gz PRRAEKSGXFHKBW-UHFFFAOYSA-N 1 0 385.895 3.489 20 30 GGEDRO C[NH+](C)CCCOc1ccc(CNC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000176375106 1428282825 /nfs/dbraw/zinc/28/28/25/1428282825.db2.gz VAQNBYYPPZVPPN-UHFFFAOYSA-N 1 0 384.455 3.027 20 30 GGEDRO N#Cc1cccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000060920774 1408051778 /nfs/dbraw/zinc/05/17/78/1408051778.db2.gz CVADHILJSHSTQG-UHFFFAOYSA-N 1 0 383.517 3.413 20 30 GGEDRO COc1ccc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000061405109 1408121854 /nfs/dbraw/zinc/12/18/54/1408121854.db2.gz BCKQZUIRMIIVCZ-UHFFFAOYSA-N 1 0 393.487 3.120 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061568464 1408148178 /nfs/dbraw/zinc/14/81/78/1408148178.db2.gz OZYHXPPJVZNHKD-UHFFFAOYSA-N 1 0 399.516 3.036 20 30 GGEDRO N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061649536 1408160318 /nfs/dbraw/zinc/16/03/18/1408160318.db2.gz ZWLWWVJQUCBBTK-ROUUACIJSA-N 1 0 393.512 3.302 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000062403627 1408252472 /nfs/dbraw/zinc/25/24/72/1408252472.db2.gz OBDHPRYJDUKYPQ-UHFFFAOYSA-N 1 0 398.482 3.337 20 30 GGEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000062488938 1408268309 /nfs/dbraw/zinc/26/83/09/1408268309.db2.gz CUUMFKBUVGKSIM-UHFFFAOYSA-N 1 0 380.467 3.030 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272565 1408327641 /nfs/dbraw/zinc/32/76/41/1408327641.db2.gz QGABOIIFUIKSMH-UHFFFAOYSA-N 1 0 385.556 3.117 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])cc3C#N)CC2)cc1 ZINC000063282537 1408328485 /nfs/dbraw/zinc/32/84/85/1408328485.db2.gz SZVOIPUVPBQUAX-UHFFFAOYSA-N 1 0 381.436 3.194 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000063349834 1408342484 /nfs/dbraw/zinc/34/24/84/1408342484.db2.gz QPCBHGVJCOXYGR-UHFFFAOYSA-N 1 0 394.391 3.439 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000063400412 1408348778 /nfs/dbraw/zinc/34/87/78/1408348778.db2.gz KKXHWOAVOJZFTN-JOCHJYFZSA-N 1 0 376.504 3.429 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(C)cc1 ZINC000063440178 1408354556 /nfs/dbraw/zinc/35/45/56/1408354556.db2.gz VAAJFBDAAAGXMD-UHFFFAOYSA-O 1 0 384.525 3.398 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745693 1408399904 /nfs/dbraw/zinc/39/99/04/1408399904.db2.gz OADMDYIEUCZGSI-UHFFFAOYSA-N 1 0 385.508 3.060 20 30 GGEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000063754297 1408401040 /nfs/dbraw/zinc/40/10/40/1408401040.db2.gz ULWHDBGSDGRAMB-UHFFFAOYSA-N 1 0 378.428 3.327 20 30 GGEDRO COc1cccc(OC)c1OC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063750322 1408401301 /nfs/dbraw/zinc/40/13/01/1408401301.db2.gz FHXOGZQJOJEPRL-LJQANCHMSA-N 1 0 384.476 3.226 20 30 GGEDRO COc1ccc(CCNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000063751034 1408401953 /nfs/dbraw/zinc/40/19/53/1408401953.db2.gz GMBJNYWGHPILMC-UHFFFAOYSA-N 1 0 395.503 3.145 20 30 GGEDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C#N)cc1 ZINC000063754566 1408402608 /nfs/dbraw/zinc/40/26/08/1408402608.db2.gz IIXDVZKOFJKUEP-UHFFFAOYSA-N 1 0 396.447 3.252 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000063815550 1408419060 /nfs/dbraw/zinc/41/90/60/1408419060.db2.gz XVGNSXRPNROUFH-UHFFFAOYSA-N 1 0 382.508 3.110 20 30 GGEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)c1 ZINC000064229431 1408515382 /nfs/dbraw/zinc/51/53/82/1408515382.db2.gz MMHFWDZXYVUYJT-UHFFFAOYSA-N 1 0 394.519 3.368 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(C)cc2OCC(F)(F)F)CC1 ZINC000176453827 1428325104 /nfs/dbraw/zinc/32/51/04/1428325104.db2.gz SQIPMXUGECZZNQ-UHFFFAOYSA-N 1 0 385.430 3.386 20 30 GGEDRO N#Cc1cccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000064280200 1408527747 /nfs/dbraw/zinc/52/77/47/1408527747.db2.gz VBUVCMYLWJWYTK-UHFFFAOYSA-N 1 0 390.487 3.189 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000064280226 1408527800 /nfs/dbraw/zinc/52/78/00/1408527800.db2.gz BVIDSZKHEVDDOR-UHFFFAOYSA-N 1 0 390.487 3.189 20 30 GGEDRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000064361439 1408540373 /nfs/dbraw/zinc/54/03/73/1408540373.db2.gz SVJDBZYTCQFUSA-UHFFFAOYSA-N 1 0 388.512 3.489 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000064361983 1408541111 /nfs/dbraw/zinc/54/11/11/1408541111.db2.gz RSXIVKDMKAEFIV-UHFFFAOYSA-N 1 0 383.492 3.384 20 30 GGEDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(C)c(F)c2)cc1OCCCC#N ZINC000064613915 1408585840 /nfs/dbraw/zinc/58/58/40/1408585840.db2.gz UEMFNZAVQTUWIC-UHFFFAOYSA-N 1 0 399.466 3.345 20 30 GGEDRO COc1ccc(C[NH2+]CC(=O)N(C)Cc2ccccc2)cc1OCCCC#N ZINC000064614179 1408586282 /nfs/dbraw/zinc/58/62/82/1408586282.db2.gz UXDNHCYQVLKWLY-UHFFFAOYSA-N 1 0 381.476 3.126 20 30 GGEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000064956516 1408631734 /nfs/dbraw/zinc/63/17/34/1408631734.db2.gz NZXHWNOHJVLRPQ-YOEHRIQHSA-N 1 0 389.908 3.325 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000065532588 1408685155 /nfs/dbraw/zinc/68/51/55/1408685155.db2.gz AHWYALBSDCBUGQ-UHFFFAOYSA-N 1 0 380.448 3.053 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000176500371 1428341353 /nfs/dbraw/zinc/34/13/53/1428341353.db2.gz GNCBDLFFWLDYIP-OAHLLOKOSA-N 1 0 399.495 3.146 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000176500251 1428341544 /nfs/dbraw/zinc/34/15/44/1428341544.db2.gz RNGKLVHULGDQEA-FQEVSTJZSA-N 1 0 383.492 3.175 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000176500352 1428341687 /nfs/dbraw/zinc/34/16/87/1428341687.db2.gz GNCBDLFFWLDYIP-HNNXBMFYSA-N 1 0 399.495 3.146 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000176501605 1428342103 /nfs/dbraw/zinc/34/21/03/1428342103.db2.gz CZCCUKHNEORQNE-GOSISDBHSA-N 1 0 394.560 3.068 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000065780745 1408729003 /nfs/dbraw/zinc/72/90/03/1408729003.db2.gz CGQHTOKSWHOLGC-VXKWHMMOSA-N 1 0 375.472 3.494 20 30 GGEDRO COc1ccc2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000065785222 1408729397 /nfs/dbraw/zinc/72/93/97/1408729397.db2.gz KYBBNGWCUWCHIV-UHFFFAOYSA-N 1 0 376.460 3.252 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000065930479 1408756406 /nfs/dbraw/zinc/75/64/06/1408756406.db2.gz WZQHGOYGXHYAER-UHFFFAOYSA-N 1 0 387.487 3.007 20 30 GGEDRO CC(C)n1ncc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cnc21 ZINC000065930757 1408756588 /nfs/dbraw/zinc/75/65/88/1408756588.db2.gz PMMUWVJNRUDFJW-UHFFFAOYSA-N 1 0 390.491 3.088 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000065937368 1408758360 /nfs/dbraw/zinc/75/83/60/1408758360.db2.gz LMVWZYPNHCNWTN-OAHLLOKOSA-N 1 0 387.430 3.194 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000065975277 1408765820 /nfs/dbraw/zinc/76/58/20/1408765820.db2.gz DWLHTTREQLXCRW-UHFFFAOYSA-N 1 0 393.512 3.464 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000066160924 1408785922 /nfs/dbraw/zinc/78/59/22/1408785922.db2.gz GEKISOYTCVLRDZ-HXUWFJFHSA-N 1 0 382.508 3.203 20 30 GGEDRO C[C@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000066189060 1408788936 /nfs/dbraw/zinc/78/89/36/1408788936.db2.gz KEBJCDKWAUPSAZ-SFHVURJKSA-N 1 0 391.519 3.363 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]CC1(c2cc(C)ccc2OC)CCOCC1 ZINC000066392646 1408829484 /nfs/dbraw/zinc/82/94/84/1408829484.db2.gz VLRYQRLJBWLDHE-IBGZPJMESA-N 1 0 386.536 3.231 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NC(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000066515299 1408851581 /nfs/dbraw/zinc/85/15/81/1408851581.db2.gz NAQAEEKTBCZEMB-UHFFFAOYSA-N 1 0 377.326 3.232 20 30 GGEDRO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000066526493 1408853221 /nfs/dbraw/zinc/85/32/21/1408853221.db2.gz KKVAEBNSFAZZMH-UHFFFAOYSA-N 1 0 391.519 3.194 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066535112 1408854323 /nfs/dbraw/zinc/85/43/23/1408854323.db2.gz WGRMUKCCORFPRQ-QZTJIDSGSA-N 1 0 386.565 3.437 20 30 GGEDRO C[NH+](C)C1(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCCCC1 ZINC000066618343 1408869424 /nfs/dbraw/zinc/86/94/24/1408869424.db2.gz QGWGMIDSMVYFQW-UHFFFAOYSA-N 1 0 384.524 3.094 20 30 GGEDRO C[NH+](C)Cc1ccccc1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066618653 1408869549 /nfs/dbraw/zinc/86/95/49/1408869549.db2.gz QFISCTFYUWGVHZ-UHFFFAOYSA-N 1 0 392.503 3.091 20 30 GGEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066621954 1408871074 /nfs/dbraw/zinc/87/10/74/1408871074.db2.gz ZBYPMJSMJZOMBR-HSALFYBXSA-N 1 0 398.551 3.196 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000066623652 1408871777 /nfs/dbraw/zinc/87/17/77/1408871777.db2.gz ZQSPNNBEVCPHPV-OAQYLSRUSA-N 1 0 396.535 3.190 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000066623653 1408871924 /nfs/dbraw/zinc/87/19/24/1408871924.db2.gz ZQSPNNBEVCPHPV-NRFANRHFSA-N 1 0 396.535 3.190 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000066726360 1408894992 /nfs/dbraw/zinc/89/49/92/1408894992.db2.gz GJYJITHITZWAIP-UHFFFAOYSA-N 1 0 395.551 3.457 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831289 1408923666 /nfs/dbraw/zinc/92/36/66/1408923666.db2.gz OIBGIFYPVXQHKM-KRWDZBQOSA-N 1 0 381.524 3.464 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831356 1408923975 /nfs/dbraw/zinc/92/39/75/1408923975.db2.gz NUGNWYWUYXUPKR-QGZVFWFLSA-N 1 0 379.508 3.240 20 30 GGEDRO COC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000066835223 1408924313 /nfs/dbraw/zinc/92/43/13/1408924313.db2.gz IAZWKURUFATWQE-AWEZNQCLSA-N 1 0 389.521 3.102 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)CC1 ZINC000066838882 1408925089 /nfs/dbraw/zinc/92/50/89/1408925089.db2.gz BWCXCGJUYBTYFI-UHFFFAOYSA-N 1 0 399.516 3.352 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000176554318 1428361549 /nfs/dbraw/zinc/36/15/49/1428361549.db2.gz ZIAJDYVCAWIPAZ-UHFFFAOYSA-N 1 0 399.539 3.402 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000066900066 1408946210 /nfs/dbraw/zinc/94/62/10/1408946210.db2.gz OYLZOLQKLFZLLL-IBGZPJMESA-N 1 0 377.444 3.495 20 30 GGEDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@H](C)N1CCOCC1 ZINC000066906037 1408948485 /nfs/dbraw/zinc/94/84/85/1408948485.db2.gz ROKQBPRCVJQLMC-OALUTQOASA-N 1 0 379.504 3.336 20 30 GGEDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066953600 1408962846 /nfs/dbraw/zinc/96/28/46/1408962846.db2.gz KXPYFPLZHWPQPE-UHFFFAOYSA-N 1 0 382.464 3.392 20 30 GGEDRO CCOc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000066971995 1408969415 /nfs/dbraw/zinc/96/94/15/1408969415.db2.gz SDFSBFMLEZPBOH-INIZCTEOSA-N 1 0 381.476 3.102 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000067011115 1408979525 /nfs/dbraw/zinc/97/95/25/1408979525.db2.gz TUFOYVNJYIUCJG-UHFFFAOYSA-N 1 0 378.476 3.285 20 30 GGEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC(F)F ZINC000067011127 1408979540 /nfs/dbraw/zinc/97/95/40/1408979540.db2.gz FVXBTVIFMBDEJE-UHFFFAOYSA-N 1 0 388.418 3.322 20 30 GGEDRO C[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)N1CCN(c2ccccc2)CC1 ZINC000067120674 1409013125 /nfs/dbraw/zinc/01/31/25/1409013125.db2.gz ZURMXVZLBDZDNP-NRFANRHFSA-N 1 0 391.563 3.337 20 30 GGEDRO CC1CC[NH+](C[C@@H](O)CNCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000067122177 1409013510 /nfs/dbraw/zinc/01/35/10/1409013510.db2.gz AMIYBOTYGONXLD-QHCPKHFHSA-N 1 0 393.531 3.320 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000067203141 1409040425 /nfs/dbraw/zinc/04/04/25/1409040425.db2.gz MCLQHKYQBIGQRV-UHFFFAOYSA-N 1 0 393.462 3.039 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000067204508 1409041354 /nfs/dbraw/zinc/04/13/54/1409041354.db2.gz KZGLHORMNVDYPI-IBGZPJMESA-N 1 0 393.487 3.245 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000067233977 1409050017 /nfs/dbraw/zinc/05/00/17/1409050017.db2.gz JRJHAWYDMVDMCY-JOCHJYFZSA-N 1 0 380.463 3.385 20 30 GGEDRO CC(C)[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000067288558 1409065279 /nfs/dbraw/zinc/06/52/79/1409065279.db2.gz YVIDNOGXBOLRMO-JOCHJYFZSA-N 1 0 382.552 3.103 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000067324079 1409073328 /nfs/dbraw/zinc/07/33/28/1409073328.db2.gz UMRNVJUKOLLVQN-NRFANRHFSA-N 1 0 393.487 3.143 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000067343293 1409078955 /nfs/dbraw/zinc/07/89/55/1409078955.db2.gz JLEOBULMGCPTLG-UHFFFAOYSA-N 1 0 395.503 3.347 20 30 GGEDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000067345659 1409079574 /nfs/dbraw/zinc/07/95/74/1409079574.db2.gz XNNANCXVLQXGGV-UHFFFAOYSA-N 1 0 394.475 3.136 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000067347236 1409080195 /nfs/dbraw/zinc/08/01/95/1409080195.db2.gz JUKQJVWALJXIGF-QZTJIDSGSA-N 1 0 387.524 3.064 20 30 GGEDRO N#Cc1nc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccc1Cl ZINC000067370662 1409089344 /nfs/dbraw/zinc/08/93/44/1409089344.db2.gz WFDJCKDSXSCXJS-QGZVFWFLSA-N 1 0 396.926 3.040 20 30 GGEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000067372766 1409090073 /nfs/dbraw/zinc/09/00/73/1409090073.db2.gz HGTUDYYFSBGKMW-UHFFFAOYSA-N 1 0 391.515 3.478 20 30 GGEDRO N#Cc1cccc(CS(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000067404927 1409105307 /nfs/dbraw/zinc/10/53/07/1409105307.db2.gz CTAOQONCKHFEGE-HXUWFJFHSA-N 1 0 375.538 3.022 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000067491468 1409134418 /nfs/dbraw/zinc/13/44/18/1409134418.db2.gz IXYURECOEFWRMR-QGZVFWFLSA-N 1 0 387.505 3.061 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000067498546 1409138414 /nfs/dbraw/zinc/13/84/14/1409138414.db2.gz AXEFLBGADZEHPR-SFHVURJKSA-N 1 0 387.524 3.208 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000067554362 1409158926 /nfs/dbraw/zinc/15/89/26/1409158926.db2.gz ZERWKANBGAHYRS-KRWDZBQOSA-N 1 0 387.524 3.207 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000067557515 1409160792 /nfs/dbraw/zinc/16/07/92/1409160792.db2.gz FCFJUTCTHJONGR-NRFANRHFSA-N 1 0 395.503 3.308 20 30 GGEDRO CC[N@H+](C)Cc1cccc(CNC(=O)CCc2c(C)nn(CCC#N)c2C)c1 ZINC000067679104 1409205399 /nfs/dbraw/zinc/20/53/99/1409205399.db2.gz NILZHFXRBHWLJA-UHFFFAOYSA-N 1 0 381.524 3.114 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067732192 1409216571 /nfs/dbraw/zinc/21/65/71/1409216571.db2.gz GIBAEVVTJIZFIE-LEWJYISDSA-N 1 0 380.467 3.327 20 30 GGEDRO C=CCNC(=O)c1ccc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)nc1 ZINC000176642910 1428388903 /nfs/dbraw/zinc/38/89/03/1428388903.db2.gz OWFZCPNQZFGPRO-SFHVURJKSA-N 1 0 394.519 3.309 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)C ZINC000068128206 1409309365 /nfs/dbraw/zinc/30/93/65/1409309365.db2.gz KGIBQVYMXFXSEP-RTBURBONSA-N 1 0 377.573 3.086 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1OCC#N ZINC000068134622 1409311527 /nfs/dbraw/zinc/31/15/27/1409311527.db2.gz NPXNVSDLZJLWCX-RQMBKDMJSA-N 1 0 383.492 3.088 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176662871 1428395401 /nfs/dbraw/zinc/39/54/01/1428395401.db2.gz RLGCJQXCGYUTAL-UHFFFAOYSA-N 1 0 382.468 3.313 20 30 GGEDRO Cc1ccc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)s1 ZINC000068310608 1409360877 /nfs/dbraw/zinc/36/08/77/1409360877.db2.gz VDQOVPTWIBYBLF-UHFFFAOYSA-N 1 0 383.517 3.482 20 30 GGEDRO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000068310004 1409360893 /nfs/dbraw/zinc/36/08/93/1409360893.db2.gz FUBALJWXMIZKCG-HNNXBMFYSA-N 1 0 387.430 3.194 20 30 GGEDRO Cc1nn(C)c2sc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc12 ZINC000068310427 1409360919 /nfs/dbraw/zinc/36/09/19/1409360919.db2.gz UJBMPYHGGBUHKN-UHFFFAOYSA-N 1 0 381.505 3.019 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NC(c2cccc(OC)c2)c2cccc(OC)c2)CC1 ZINC000176669622 1428398466 /nfs/dbraw/zinc/39/84/66/1428398466.db2.gz XWXPLMKYMJSTJH-UHFFFAOYSA-N 1 0 392.499 3.255 20 30 GGEDRO CC(C)C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N1CCOCC1 ZINC000068366123 1409381494 /nfs/dbraw/zinc/38/14/94/1409381494.db2.gz WETHMQDDZMKGSM-QFIPXVFZSA-N 1 0 395.551 3.300 20 30 GGEDRO Cc1cc(C)c(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)c(C)c1 ZINC000068776748 1409489857 /nfs/dbraw/zinc/48/98/57/1409489857.db2.gz XJKWKAMUJNLRQY-UHFFFAOYSA-N 1 0 381.520 3.406 20 30 GGEDRO C[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000068828855 1409503244 /nfs/dbraw/zinc/50/32/44/1409503244.db2.gz WGBMLTAYLGADKQ-ROUUACIJSA-N 1 0 398.551 3.478 20 30 GGEDRO Cc1ccccc1C(=O)C(C(=S)NCCc1cccnc1)[n+]1ccccc1 ZINC000068866243 1409510406 /nfs/dbraw/zinc/51/04/06/1409510406.db2.gz OTXLDHUWBURSOL-UHFFFAOYSA-O 1 0 376.505 3.449 20 30 GGEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NCCc1cccnc1)[n+]1ccccc1 ZINC000068866294 1409511250 /nfs/dbraw/zinc/51/12/50/1409511250.db2.gz HOOJOPDBBOQNNN-UHFFFAOYSA-O 1 0 398.458 3.418 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)CCCCC#N)C1 ZINC000068881534 1409515079 /nfs/dbraw/zinc/51/50/79/1409515079.db2.gz JTKGAPHPGXJSGY-ROUUACIJSA-N 1 0 377.554 3.278 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)CC1 ZINC000068918703 1409524289 /nfs/dbraw/zinc/52/42/89/1409524289.db2.gz NFZUSSKZMPFMLL-QGZVFWFLSA-N 1 0 383.517 3.154 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 ZINC000068919324 1409524694 /nfs/dbraw/zinc/52/46/94/1409524694.db2.gz BSVLBEQSGGGMPA-UHFFFAOYSA-N 1 0 396.512 3.398 20 30 GGEDRO N#CCCCCS(=O)(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000068938663 1409530185 /nfs/dbraw/zinc/53/01/85/1409530185.db2.gz FBJSBRHCAMPXSJ-UHFFFAOYSA-N 1 0 391.581 3.335 20 30 GGEDRO N#Cc1ccc(N2CC[C@@H](N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000068967226 1409535300 /nfs/dbraw/zinc/53/53/00/1409535300.db2.gz YYPKGYBLFJFMSR-JOCHJYFZSA-N 1 0 392.478 3.011 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000068967261 1409535375 /nfs/dbraw/zinc/53/53/75/1409535375.db2.gz PLRAKSUVAWXOQF-UHFFFAOYSA-N 1 0 380.467 3.234 20 30 GGEDRO COCCOc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000068991549 1409538770 /nfs/dbraw/zinc/53/87/70/1409538770.db2.gz DRHJUQAYOCOKQB-IBGZPJMESA-N 1 0 383.467 3.481 20 30 GGEDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc2c1OCO2 ZINC000068991612 1409538930 /nfs/dbraw/zinc/53/89/30/1409538930.db2.gz MCBFKHRHSUMRPO-INIZCTEOSA-N 1 0 383.423 3.193 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016428 1409544453 /nfs/dbraw/zinc/54/44/53/1409544453.db2.gz HKUQJPMWZUGSCW-PMACEKPBSA-N 1 0 398.551 3.418 20 30 GGEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000069076059 1409558520 /nfs/dbraw/zinc/55/85/20/1409558520.db2.gz HNXFWCKOXZSACC-NRFANRHFSA-N 1 0 398.551 3.282 20 30 GGEDRO C=C(Br)CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000069117346 1409570370 /nfs/dbraw/zinc/57/03/70/1409570370.db2.gz FZPYPQIJFFXCQO-HUUCEWRRSA-N 1 0 396.329 3.004 20 30 GGEDRO C=C(Br)CNC(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000069119652 1409570951 /nfs/dbraw/zinc/57/09/51/1409570951.db2.gz HNGOSQXOIUMKMZ-UHFFFAOYSA-N 1 0 384.318 3.115 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 ZINC000069121774 1409571838 /nfs/dbraw/zinc/57/18/38/1409571838.db2.gz OWCUCYZCSOGVOL-HXUWFJFHSA-N 1 0 378.476 3.005 20 30 GGEDRO C[NH+](C)CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CCCC1 ZINC000069156001 1409577071 /nfs/dbraw/zinc/57/70/71/1409577071.db2.gz SLHFSDVTOKGCTF-UHFFFAOYSA-N 1 0 384.524 3.046 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000069226589 1409590385 /nfs/dbraw/zinc/59/03/85/1409590385.db2.gz XXCFITXDAHPCGU-UHFFFAOYSA-N 1 0 378.476 3.184 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000069258679 1409596668 /nfs/dbraw/zinc/59/66/68/1409596668.db2.gz FBIBJSWYUJFMQE-OAQYLSRUSA-N 1 0 380.492 3.471 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000069289340 1409605619 /nfs/dbraw/zinc/60/56/19/1409605619.db2.gz MFEIOIHRCWOUTG-UHFFFAOYSA-N 1 0 392.503 3.300 20 30 GGEDRO C#CCOc1cccc(NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000069343447 1409618417 /nfs/dbraw/zinc/61/84/17/1409618417.db2.gz VHNHPWYOYMQNLE-ROUUACIJSA-N 1 0 385.508 3.052 20 30 GGEDRO C=CCCO[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000069359417 1409621999 /nfs/dbraw/zinc/62/19/99/1409621999.db2.gz OHDGFBAUCLNSBE-IBGZPJMESA-N 1 0 394.519 3.324 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000069463685 1409639472 /nfs/dbraw/zinc/63/94/72/1409639472.db2.gz DPHOTBAINHCQTN-HXUWFJFHSA-N 1 0 396.466 3.294 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)/C=C/c2ccc(OCC#N)cc2)[NH+](C)C)c1 ZINC000069617444 1409663715 /nfs/dbraw/zinc/66/37/15/1409663715.db2.gz UJVFZKLNQAVPQE-VZOQVYJPSA-N 1 0 379.460 3.030 20 30 GGEDRO C=CCOc1cccc(NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000069656608 1409670630 /nfs/dbraw/zinc/67/06/30/1409670630.db2.gz LMZGREALHZHXTI-QFIPXVFZSA-N 1 0 394.519 3.362 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069742682 1409687183 /nfs/dbraw/zinc/68/71/83/1409687183.db2.gz KLGUZIXBQFNAKL-IBGZPJMESA-N 1 0 389.499 3.410 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000069751401 1409690895 /nfs/dbraw/zinc/69/08/95/1409690895.db2.gz KFQRZDZZTXTEGE-UHFFFAOYSA-N 1 0 382.483 3.302 20 30 GGEDRO COC(=O)[C@H](NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000176708586 1428424503 /nfs/dbraw/zinc/42/45/03/1428424503.db2.gz ZBSVTNSSGLHVML-FCHUYYIVSA-N 1 0 393.487 3.208 20 30 GGEDRO C=CCN(Cc1ccccc1)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069862956 1409717239 /nfs/dbraw/zinc/71/72/39/1409717239.db2.gz KHTMSRXBEYYXNO-HSZRJFAPSA-N 1 0 392.547 3.373 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069864580 1409718283 /nfs/dbraw/zinc/71/82/83/1409718283.db2.gz ADSPATJPNLXKJT-OAQYLSRUSA-N 1 0 398.576 3.434 20 30 GGEDRO COC(=O)[C@@H](NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000176708542 1428424888 /nfs/dbraw/zinc/42/48/88/1428424888.db2.gz ZBSVTNSSGLHVML-YADHBBJMSA-N 1 0 393.487 3.208 20 30 GGEDRO C=CCN(CC1CCCCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000070059428 1409745080 /nfs/dbraw/zinc/74/50/80/1409745080.db2.gz RASYPZJYTXDPIS-UHFFFAOYSA-N 1 0 385.556 3.111 20 30 GGEDRO COC(=O)[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000176717056 1428430758 /nfs/dbraw/zinc/43/07/58/1428430758.db2.gz UASHGAYISHAOBK-JOCHJYFZSA-N 1 0 377.488 3.069 20 30 GGEDRO COC(=O)[C@H](NC1CC[NH+](Cc2ccccc2C)CC1)c1cccc(C#N)c1 ZINC000176719730 1428432579 /nfs/dbraw/zinc/43/25/79/1428432579.db2.gz ALMMSIANDYMZCN-JOCHJYFZSA-N 1 0 377.488 3.335 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000072026465 1409838638 /nfs/dbraw/zinc/83/86/38/1409838638.db2.gz KIEPIOOBTMCNRF-QGZVFWFLSA-N 1 0 375.472 3.351 20 30 GGEDRO C[C@H]1CCC[C@H](C)N1C(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000072073200 1409845641 /nfs/dbraw/zinc/84/56/41/1409845641.db2.gz POQJNVPXAMSIFU-ROUUACIJSA-N 1 0 386.540 3.099 20 30 GGEDRO C[C@H]1CCC[C@H](C)N1C(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000072085466 1409847467 /nfs/dbraw/zinc/84/74/67/1409847467.db2.gz LKRSQMSCXMCWSM-ROUUACIJSA-N 1 0 386.540 3.099 20 30 GGEDRO C=CCn1c2nnc(SCC[C@@H]3CCCC[N@H+]3C)n2c2ccccc2c1=O ZINC000072205535 1409849580 /nfs/dbraw/zinc/84/95/80/1409849580.db2.gz JNOXBRKSCADNMH-HNNXBMFYSA-N 1 0 383.521 3.197 20 30 GGEDRO CCC1(O)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000072724324 1409852923 /nfs/dbraw/zinc/85/29/23/1409852923.db2.gz GOYVKEZOVWDWEM-AWEZNQCLSA-N 1 0 375.538 3.310 20 30 GGEDRO C[C@@H]1CCN(CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000072895656 1409855135 /nfs/dbraw/zinc/85/51/35/1409855135.db2.gz WVGSGCDTUCZTOW-LJQANCHMSA-N 1 0 376.504 3.483 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCC(=O)N(C)Cc3cccc(C#N)c3)CC2)c1 ZINC000072882012 1409855180 /nfs/dbraw/zinc/85/51/80/1409855180.db2.gz VSJBOCFPMBVUPJ-UHFFFAOYSA-N 1 0 376.504 3.037 20 30 GGEDRO N#Cc1ccsc1N1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1=O ZINC000176728291 1428437747 /nfs/dbraw/zinc/43/77/47/1428437747.db2.gz LKKQWLVMGTXAPU-SFHVURJKSA-N 1 0 399.491 3.202 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccccc2CN2CCCC2=O)cc1 ZINC000075774674 1409883256 /nfs/dbraw/zinc/88/32/56/1409883256.db2.gz LRXHKSCTYTVFPT-UHFFFAOYSA-N 1 0 376.504 3.449 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834542 1409883316 /nfs/dbraw/zinc/88/33/16/1409883316.db2.gz KRWMEBZGKZTVMU-NRFANRHFSA-N 1 0 382.552 3.358 20 30 GGEDRO CN(CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109970 1409885322 /nfs/dbraw/zinc/88/53/22/1409885322.db2.gz VGUYXTPICLFHCP-NRFANRHFSA-N 1 0 382.552 3.125 20 30 GGEDRO CC[NH+]1CCN(CCCNc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000076715929 1409890868 /nfs/dbraw/zinc/89/08/68/1409890868.db2.gz FAKPYTPANWWWHM-UHFFFAOYSA-N 1 0 376.508 3.107 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1ccccc1C#N ZINC000077371990 1409895855 /nfs/dbraw/zinc/89/58/55/1409895855.db2.gz MQCHYYKRSURBRC-IBGZPJMESA-N 1 0 376.504 3.483 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000077391641 1409896112 /nfs/dbraw/zinc/89/61/12/1409896112.db2.gz FZPMACQIUZLSPV-PKOBYXMFSA-N 1 0 375.538 3.142 20 30 GGEDRO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000077850796 1409903146 /nfs/dbraw/zinc/90/31/46/1409903146.db2.gz XDLDJYNGOKWDGS-FCHUYYIVSA-N 1 0 376.504 3.496 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000078533548 1409923312 /nfs/dbraw/zinc/92/33/12/1409923312.db2.gz ZZPQCCBNWPHIBU-UHFFFAOYSA-N 1 0 376.932 3.212 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000078516663 1409923669 /nfs/dbraw/zinc/92/36/69/1409923669.db2.gz OJEAGVNTMGMCEB-LJQANCHMSA-N 1 0 382.552 3.314 20 30 GGEDRO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000081632703 1410022724 /nfs/dbraw/zinc/02/27/24/1410022724.db2.gz FGQNPJNYJASIIC-LJQANCHMSA-N 1 0 378.520 3.401 20 30 GGEDRO C[N@@H+]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C2(CCCCC2)C1 ZINC000176756181 1428449333 /nfs/dbraw/zinc/44/93/33/1428449333.db2.gz QCIJLFBEMLSBJA-UHFFFAOYSA-N 1 0 396.535 3.190 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]CC2(CN3CCOCC3)CCCCC2)cc1 ZINC000083476653 1410030820 /nfs/dbraw/zinc/03/08/20/1410030820.db2.gz SEEJSSFTBMFLPP-UHFFFAOYSA-N 1 0 384.568 3.409 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C1CCC(CO)CC1 ZINC000089923871 1410059225 /nfs/dbraw/zinc/05/92/25/1410059225.db2.gz DQJWFIPMEYQHBE-KLAILNCOSA-N 1 0 375.538 3.360 20 30 GGEDRO COc1cc(OC)c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(OC)c1 ZINC000091792486 1410081249 /nfs/dbraw/zinc/08/12/49/1410081249.db2.gz ZSGBFKLCEHNKGU-UHFFFAOYSA-N 1 0 381.476 3.296 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2ccccc2N2CCOCC2)CC1 ZINC000091792541 1410081598 /nfs/dbraw/zinc/08/15/98/1410081598.db2.gz VSKUNMCLQKCIEC-UHFFFAOYSA-N 1 0 376.504 3.107 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091888902 1410090052 /nfs/dbraw/zinc/09/00/52/1410090052.db2.gz OCFBYNAPQQGDIF-OAQYLSRUSA-N 1 0 398.478 3.313 20 30 GGEDRO CC1(C)CC(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC(C)(C)[NH2+]1 ZINC000092148176 1410112761 /nfs/dbraw/zinc/11/27/61/1410112761.db2.gz UKPODXNFHHBEPY-UHFFFAOYSA-N 1 0 399.539 3.252 20 30 GGEDRO CC(C)C[NH+]1CCC(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092164366 1410115238 /nfs/dbraw/zinc/11/52/38/1410115238.db2.gz LCFLWXIRBXXSIV-UHFFFAOYSA-N 1 0 399.539 3.063 20 30 GGEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000092168627 1410116327 /nfs/dbraw/zinc/11/63/27/1410116327.db2.gz OXRQLVCIQNQPBT-WSCVDHEUSA-N 1 0 399.539 3.063 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000092218413 1410121204 /nfs/dbraw/zinc/12/12/04/1410121204.db2.gz RJORTNQFJOTDJE-HSZRJFAPSA-N 1 0 391.515 3.434 20 30 GGEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCCCOC)CC2)cc1Cl ZINC000092361859 1410144028 /nfs/dbraw/zinc/14/40/28/1410144028.db2.gz ONYYAVOJMSOLLB-UHFFFAOYSA-N 1 0 380.916 3.270 20 30 GGEDRO C[NH+](C)CCC1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092422072 1410155249 /nfs/dbraw/zinc/15/52/49/1410155249.db2.gz IVCUHHPRQGTKHJ-UHFFFAOYSA-N 1 0 399.539 3.017 20 30 GGEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092423795 1410156132 /nfs/dbraw/zinc/15/61/32/1410156132.db2.gz JDHVVSNPZHBJLW-IOJLRTSASA-N 1 0 399.539 3.159 20 30 GGEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092423797 1410156336 /nfs/dbraw/zinc/15/63/36/1410156336.db2.gz JDHVVSNPZHBJLW-GPJFCIFZSA-N 1 0 399.539 3.159 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000092535071 1410169197 /nfs/dbraw/zinc/16/91/97/1410169197.db2.gz YJGWEYRJNYJCCN-SFHVURJKSA-N 1 0 395.478 3.394 20 30 GGEDRO C#CCOc1ccccc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000092644535 1410182646 /nfs/dbraw/zinc/18/26/46/1410182646.db2.gz CXUYFGQJTWSRNY-UHFFFAOYSA-N 1 0 382.529 3.331 20 30 GGEDRO CC(=O)Nc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000092704446 1410190091 /nfs/dbraw/zinc/19/00/91/1410190091.db2.gz OEUILPAOMZFCKN-UHFFFAOYSA-N 1 0 385.471 3.387 20 30 GGEDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092733825 1410195828 /nfs/dbraw/zinc/19/58/28/1410195828.db2.gz GYSCWNZBFLIURX-IBGZPJMESA-N 1 0 379.508 3.202 20 30 GGEDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092733824 1410196252 /nfs/dbraw/zinc/19/62/52/1410196252.db2.gz GYSCWNZBFLIURX-LJQANCHMSA-N 1 0 379.508 3.202 20 30 GGEDRO C=CCOc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1Cl ZINC000092811089 1410203218 /nfs/dbraw/zinc/20/32/18/1410203218.db2.gz LVYODWVFWLFQFO-UHFFFAOYSA-N 1 0 375.900 3.473 20 30 GGEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000093017132 1410216308 /nfs/dbraw/zinc/21/63/08/1410216308.db2.gz VOUZSVSKSNUPMG-HXUWFJFHSA-N 1 0 393.535 3.008 20 30 GGEDRO CC(C)OCC[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000093586363 1410254585 /nfs/dbraw/zinc/25/45/85/1410254585.db2.gz ORLDEWOSJCYPIZ-UHFFFAOYSA-N 1 0 381.524 3.006 20 30 GGEDRO CNC(=O)CC1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000093588396 1410254681 /nfs/dbraw/zinc/25/46/81/1410254681.db2.gz GZYVJUOZPOCIEY-UHFFFAOYSA-N 1 0 377.488 3.485 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000093740580 1410262688 /nfs/dbraw/zinc/26/26/88/1410262688.db2.gz JKHBYLFSWRSYEG-MRXNPFEDSA-N 1 0 377.444 3.492 20 30 GGEDRO COc1cc(CN2CC[NH+](CC(C)(C)CCC#N)CC2)cc(OC)c1OC ZINC000093760549 1410264530 /nfs/dbraw/zinc/26/45/30/1410264530.db2.gz YKPGCFCSYNRLAF-UHFFFAOYSA-N 1 0 375.513 3.160 20 30 GGEDRO N#Cc1ccccc1COc1cccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000093817980 1410271336 /nfs/dbraw/zinc/27/13/36/1410271336.db2.gz FNLGFHABMCHQDS-OAQYLSRUSA-N 1 0 391.515 3.291 20 30 GGEDRO COc1ccc(N2CC[NH+](CCCNc3nc(C)cc(C)c3C#N)CC2)cc1 ZINC000096948615 1410339014 /nfs/dbraw/zinc/33/90/14/1410339014.db2.gz CYRWBYRAYMOLSW-UHFFFAOYSA-N 1 0 379.508 3.203 20 30 GGEDRO CC(C)N(C(=O)[C@@H](C)ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC000097571241 1410378430 /nfs/dbraw/zinc/37/84/30/1410378430.db2.gz QLSPYULJVIHLEA-GOSISDBHSA-N 1 0 388.556 3.343 20 30 GGEDRO C[NH+](C)C1CCN(CCNc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000176816001 1428478855 /nfs/dbraw/zinc/47/88/55/1428478855.db2.gz IFWAFWQFZYNWAO-UHFFFAOYSA-N 1 0 375.879 3.337 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(C)C ZINC000097577906 1410381460 /nfs/dbraw/zinc/38/14/60/1410381460.db2.gz KJOARWUIOVKYHF-LJQANCHMSA-N 1 0 392.507 3.219 20 30 GGEDRO CC(C)[C@H]1OCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000176817390 1428479759 /nfs/dbraw/zinc/47/97/59/1428479759.db2.gz QAKUYLJCAYEDSU-LEWJYISDSA-N 1 0 386.540 3.083 20 30 GGEDRO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000176817410 1428480187 /nfs/dbraw/zinc/48/01/87/1428480187.db2.gz QAKUYLJCAYEDSU-SFTDATJTSA-N 1 0 386.540 3.083 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000098026211 1410396033 /nfs/dbraw/zinc/39/60/33/1410396033.db2.gz NGRRWGWOTSFYGZ-SFHVURJKSA-N 1 0 384.524 3.497 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000098026212 1410396124 /nfs/dbraw/zinc/39/61/24/1410396124.db2.gz NGRRWGWOTSFYGZ-GOSISDBHSA-N 1 0 384.524 3.497 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000098027642 1410396810 /nfs/dbraw/zinc/39/68/10/1410396810.db2.gz XCCQFQVYCDHYLB-GOSISDBHSA-N 1 0 384.524 3.354 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000098093239 1410410145 /nfs/dbraw/zinc/41/01/45/1410410145.db2.gz OPKDTGKYLJGKRF-QHCPKHFHSA-N 1 0 391.515 3.445 20 30 GGEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 ZINC000176819474 1428481881 /nfs/dbraw/zinc/48/18/81/1428481881.db2.gz TUFWHOMJZSKBIX-QZTJIDSGSA-N 1 0 384.524 3.496 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000098173872 1410436392 /nfs/dbraw/zinc/43/63/92/1410436392.db2.gz CUDPBYCDEDBAHG-UHFFFAOYSA-N 1 0 396.510 3.426 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)/C=C/c2ccc(OCC#N)cc2)[NH+]2CCCC2)o1 ZINC000101527894 1410448768 /nfs/dbraw/zinc/44/87/68/1410448768.db2.gz SKZXRTPTBCWQQM-WUTDNEBXSA-N 1 0 379.460 3.457 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NCC(F)(F)F)c1 ZINC000101535178 1410452948 /nfs/dbraw/zinc/45/29/48/1410452948.db2.gz VUCLYHZWTJBWSP-UHFFFAOYSA-O 1 0 398.386 3.281 20 30 GGEDRO COc1ccc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2ccccc2)c(OC)c1 ZINC000101535090 1410453085 /nfs/dbraw/zinc/45/30/85/1410453085.db2.gz ZQGUTAJAKHBMBD-UHFFFAOYSA-O 1 0 399.414 3.082 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000101535022 1410453142 /nfs/dbraw/zinc/45/31/42/1410453142.db2.gz ZAVIVMIARYGFLC-UHFFFAOYSA-O 1 0 399.462 3.076 20 30 GGEDRO CC(=O)Nc1cccc(CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000101540815 1410454833 /nfs/dbraw/zinc/45/48/33/1410454833.db2.gz UHRMDFFTAKVHRP-UHFFFAOYSA-N 1 0 380.492 3.468 20 30 GGEDRO N#Cc1ccccc1N1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000101554605 1410461213 /nfs/dbraw/zinc/46/12/13/1410461213.db2.gz YRTTYCXEHRXLNW-UHFFFAOYSA-N 1 0 382.895 3.040 20 30 GGEDRO C[C@H](NC(=O)Nc1cccc(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000101604243 1410476223 /nfs/dbraw/zinc/47/62/23/1410476223.db2.gz JYLOVLHZVPREQH-HNNXBMFYSA-N 1 0 381.455 3.332 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000101607926 1410477563 /nfs/dbraw/zinc/47/75/63/1410477563.db2.gz UUSUFFKBFIZYME-IBGZPJMESA-N 1 0 383.540 3.044 20 30 GGEDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000101658568 1410487723 /nfs/dbraw/zinc/48/77/23/1410487723.db2.gz ZUTOHNNPRXDGQF-UHFFFAOYSA-N 1 0 378.476 3.317 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(C#N)cc1 ZINC000101784946 1410502101 /nfs/dbraw/zinc/50/21/01/1410502101.db2.gz BXRWEJCQBOYZCF-OAQYLSRUSA-N 1 0 377.492 3.149 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)CC1 ZINC000101826973 1410507247 /nfs/dbraw/zinc/50/72/47/1410507247.db2.gz IWWZXUDKXJIRPO-OAQYLSRUSA-N 1 0 398.547 3.363 20 30 GGEDRO CCn1cc(NC(=S)C(C(=O)c2ccc3c(c2)CCO3)[n+]2ccccc2)cn1 ZINC000101900320 1410515247 /nfs/dbraw/zinc/51/52/47/1410515247.db2.gz MYQFDWHMFGUFMA-UHFFFAOYSA-O 1 0 393.492 3.176 20 30 GGEDRO CCn1cc(NC(=S)C(C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2)cn1 ZINC000101900587 1410515265 /nfs/dbraw/zinc/51/52/65/1410515265.db2.gz VVZJGEZDINCVLZ-UHFFFAOYSA-O 1 0 396.452 3.150 20 30 GGEDRO CCn1cc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccc(C)cc2)cn1 ZINC000101900407 1410515302 /nfs/dbraw/zinc/51/53/02/1410515302.db2.gz DGEDWWJOFPJDBD-UHFFFAOYSA-O 1 0 382.513 3.495 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000101909734 1410518022 /nfs/dbraw/zinc/51/80/22/1410518022.db2.gz ILSZTJWMCNYJBG-ZWKOTPCHSA-N 1 0 391.581 3.135 20 30 GGEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000101910213 1410518054 /nfs/dbraw/zinc/51/80/54/1410518054.db2.gz JHKZLKWEPPTQFE-HNNXBMFYSA-N 1 0 390.915 3.024 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101917225 1410522501 /nfs/dbraw/zinc/52/25/01/1410522501.db2.gz IXMXNVMLTMZRCS-MRXNPFEDSA-N 1 0 375.488 3.289 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101917462 1410522768 /nfs/dbraw/zinc/52/27/68/1410522768.db2.gz SUAQHVZCOJBXFN-UHFFFAOYSA-N 1 0 394.450 3.377 20 30 GGEDRO O=C(C#Cc1ccccc1)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176846851 1428498907 /nfs/dbraw/zinc/49/89/07/1428498907.db2.gz IEKWHUZSGWLTEN-UHFFFAOYSA-N 1 0 376.500 3.226 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccc(C(N)=O)cc2)c1 ZINC000102387387 1410617747 /nfs/dbraw/zinc/61/77/47/1410617747.db2.gz DDRWECUFLWMUNQ-UHFFFAOYSA-O 1 0 390.488 3.432 20 30 GGEDRO CC(C)c1nc(CCN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=N)cs1 ZINC000102505221 1410640391 /nfs/dbraw/zinc/64/03/91/1410640391.db2.gz MNVMXXRRYGLHAR-UHFFFAOYSA-N 1 0 395.532 3.469 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000102604865 1410670231 /nfs/dbraw/zinc/67/02/31/1410670231.db2.gz RTWGYOHLEWGSAK-UHFFFAOYSA-N 1 0 384.549 3.445 20 30 GGEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)Cc1ccc(C)s1 ZINC000102773780 1410741959 /nfs/dbraw/zinc/74/19/59/1410741959.db2.gz UYFOQKSJSZQJEM-UHFFFAOYSA-N 1 0 388.537 3.454 20 30 GGEDRO COCCC[N@@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3ccccc3C#N)c2C1 ZINC000102779306 1410746956 /nfs/dbraw/zinc/74/69/56/1410746956.db2.gz JHQDXXUHSFVSLD-MRXNPFEDSA-N 1 0 378.476 3.349 20 30 GGEDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 ZINC000102791841 1410758050 /nfs/dbraw/zinc/75/80/50/1410758050.db2.gz KJYNXPNFPMPTIH-UHFFFAOYSA-N 1 0 392.503 3.103 20 30 GGEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000176884922 1428511708 /nfs/dbraw/zinc/51/17/08/1428511708.db2.gz YOAFAHGBZAGJQU-CYBMUJFWSA-N 1 0 380.416 3.284 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000102928738 1410808993 /nfs/dbraw/zinc/80/89/93/1410808993.db2.gz SFZWGSIYJBTRFC-UHFFFAOYSA-N 1 0 396.491 3.206 20 30 GGEDRO C#Cc1cccc(N(C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000103146170 1410832039 /nfs/dbraw/zinc/83/20/39/1410832039.db2.gz HTKBIHKDUBGTKZ-UHFFFAOYSA-N 1 0 379.529 3.292 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000103151719 1410832231 /nfs/dbraw/zinc/83/22/31/1410832231.db2.gz UOCMEGIUKSLHEX-PXNSSMCTSA-N 1 0 385.464 3.002 20 30 GGEDRO N#Cc1cc(F)ccc1CSCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000103166996 1410833766 /nfs/dbraw/zinc/83/37/66/1410833766.db2.gz PZCWFWVIULYCQJ-UHFFFAOYSA-N 1 0 384.480 3.064 20 30 GGEDRO C[NH+]1CCC(CCNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000103289413 1410842965 /nfs/dbraw/zinc/84/29/65/1410842965.db2.gz LKRIOKDJNMAQIY-UHFFFAOYSA-N 1 0 384.402 3.353 20 30 GGEDRO C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000103294734 1410843582 /nfs/dbraw/zinc/84/35/82/1410843582.db2.gz ULGMWGPIYPPCCE-AWEZNQCLSA-N 1 0 399.445 3.471 20 30 GGEDRO C[NH+]=C(NCCCc1nnc(SC)n1C1CCCC1)NCc1ccco1 ZINC000103338559 1410849950 /nfs/dbraw/zinc/84/99/50/1410849950.db2.gz ZLAUUWZFNPCRPO-UHFFFAOYSA-N 1 0 376.530 3.006 20 30 GGEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000103474964 1410861834 /nfs/dbraw/zinc/86/18/34/1410861834.db2.gz UVZPRKSPHVBCPL-OAQYLSRUSA-N 1 0 390.487 3.253 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H]1C[NH+]1CCCCC1)CCC2 ZINC000103482328 1410862590 /nfs/dbraw/zinc/86/25/90/1410862590.db2.gz LQPTYLXZDJMDRA-INIZCTEOSA-N 1 0 386.565 3.387 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000103859480 1410877552 /nfs/dbraw/zinc/87/75/52/1410877552.db2.gz LOVJYAKFYAJFHP-RTBURBONSA-N 1 0 398.551 3.479 20 30 GGEDRO CC[NH+]=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CCCC1 ZINC000103892125 1410878436 /nfs/dbraw/zinc/87/84/36/1410878436.db2.gz DYWAVFLUTBCTEI-HNNXBMFYSA-N 1 0 379.346 3.337 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000104058933 1410883491 /nfs/dbraw/zinc/88/34/91/1410883491.db2.gz IVAPESGVFQFHCK-NRFANRHFSA-N 1 0 385.487 3.135 20 30 GGEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000176918981 1428520576 /nfs/dbraw/zinc/52/05/76/1428520576.db2.gz RRXYDSQNDMIQIH-OAQYLSRUSA-N 1 0 381.476 3.437 20 30 GGEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000104158999 1410885878 /nfs/dbraw/zinc/88/58/78/1410885878.db2.gz DEFMMNIYLGGKLZ-IYBDPMFKSA-N 1 0 392.544 3.098 20 30 GGEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2CS(=O)(=O)NC(C)C)c1 ZINC000104158628 1410886004 /nfs/dbraw/zinc/88/60/04/1410886004.db2.gz SATILLCTTZPMDC-UHFFFAOYSA-N 1 0 388.537 3.058 20 30 GGEDRO CC(C)Oc1ccc(NC(=[NH2+])NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000104154855 1410886047 /nfs/dbraw/zinc/88/60/47/1410886047.db2.gz OJDVTOLZRYTSBH-UHFFFAOYSA-N 1 0 380.370 3.256 20 30 GGEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000104173861 1410886211 /nfs/dbraw/zinc/88/62/11/1410886211.db2.gz XMJOBILSNXGUBT-UHFFFAOYSA-N 1 0 386.471 3.376 20 30 GGEDRO CCc1ccc(NC(=[NH2+])NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1 ZINC000104179762 1410886278 /nfs/dbraw/zinc/88/62/78/1410886278.db2.gz BLPROCRPYKGEQU-UHFFFAOYSA-N 1 0 388.537 3.004 20 30 GGEDRO Cc1ccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000104175586 1410886305 /nfs/dbraw/zinc/88/63/05/1410886305.db2.gz FSJJCHVAQWGRLK-UHFFFAOYSA-N 1 0 386.521 3.015 20 30 GGEDRO [NH2+]=C(NCCCc1nnc2n1CCCCC2)Nc1ccc(OC(F)(F)F)cc1 ZINC000104183891 1410886465 /nfs/dbraw/zinc/88/64/65/1410886465.db2.gz OUWXGGOBHYAPHQ-UHFFFAOYSA-N 1 0 396.417 3.263 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000104716014 1410940213 /nfs/dbraw/zinc/94/02/13/1410940213.db2.gz FTEBWRXMPZUURR-UHFFFAOYSA-N 1 0 394.431 3.338 20 30 GGEDRO C=CCc1cc(CNC(=O)NCC[N@H+](C)C2CCCC2)cc(OC)c1OC ZINC000104806331 1410967550 /nfs/dbraw/zinc/96/75/50/1410967550.db2.gz RWDBSTUJLBXCSJ-UHFFFAOYSA-N 1 0 375.513 3.106 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COCc3ccccc3F)CC2)c1 ZINC000104963129 1411004353 /nfs/dbraw/zinc/00/43/53/1411004353.db2.gz WZLMFXIFJGDEHT-LJQANCHMSA-N 1 0 384.451 3.118 20 30 GGEDRO CC1(C)CN(C[C@H](O)COc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000104968401 1411005083 /nfs/dbraw/zinc/00/50/83/1411005083.db2.gz XTDWPKBLWHCZOK-QFIPXVFZSA-N 1 0 393.531 3.089 20 30 GGEDRO C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963308 1411005152 /nfs/dbraw/zinc/00/51/52/1411005152.db2.gz MGOILZHUYGIVPN-SFHVURJKSA-N 1 0 389.499 3.375 20 30 GGEDRO N#Cc1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1Cl ZINC000104978785 1411007578 /nfs/dbraw/zinc/00/75/78/1411007578.db2.gz PZKMJOKPQLNSPJ-UHFFFAOYSA-N 1 0 398.894 3.490 20 30 GGEDRO C[N@H+](CCN1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1)Cc1ccccc1 ZINC000104985800 1411008426 /nfs/dbraw/zinc/00/84/26/1411008426.db2.gz QYKGJZRIPRDCGO-UHFFFAOYSA-N 1 0 391.519 3.034 20 30 GGEDRO COCCN(CC[NH+](C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000105039193 1411018913 /nfs/dbraw/zinc/01/89/13/1411018913.db2.gz GKQFVFLEAIVSGD-UHFFFAOYSA-N 1 0 382.464 3.392 20 30 GGEDRO CC(=O)Nc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000176966316 1428533435 /nfs/dbraw/zinc/53/34/35/1428533435.db2.gz PIKLLWNSLFCCBQ-UHFFFAOYSA-N 1 0 380.370 3.148 20 30 GGEDRO [NH2+]=C(NCCCn1cnc2ccccc21)NCc1ccc(OC(F)(F)F)cc1 ZINC000176966171 1428533475 /nfs/dbraw/zinc/53/34/75/1428533475.db2.gz OOTXCHXZEZCASN-UHFFFAOYSA-N 1 0 391.397 3.430 20 30 GGEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccccc1-n1cccn1 ZINC000176967616 1428533820 /nfs/dbraw/zinc/53/38/20/1428533820.db2.gz KGHMGTOJFPYUCN-UHFFFAOYSA-N 1 0 389.381 3.375 20 30 GGEDRO C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCC(C)CC1 ZINC000105198171 1411040843 /nfs/dbraw/zinc/04/08/43/1411040843.db2.gz JBFMCVCGDXNXLW-SFHVURJKSA-N 1 0 384.524 3.231 20 30 GGEDRO CCC[NH+]1CCC(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000105215247 1411042848 /nfs/dbraw/zinc/04/28/48/1411042848.db2.gz RJNFCVXLVZYPNN-UHFFFAOYSA-N 1 0 384.524 3.233 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000105294898 1411051090 /nfs/dbraw/zinc/05/10/90/1411051090.db2.gz FCSVVMNSVADQND-UHFFFAOYSA-N 1 0 384.524 3.497 20 30 GGEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000176971949 1428535390 /nfs/dbraw/zinc/53/53/90/1428535390.db2.gz FNQMPNUJWMJLRW-IYBDPMFKSA-N 1 0 388.487 3.441 20 30 GGEDRO CN(C)C(=O)c1cccc(CON=C(N)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000105394342 1411062762 /nfs/dbraw/zinc/06/27/62/1411062762.db2.gz IDBSJRMQLGBYEA-UHFFFAOYSA-N 1 0 394.519 3.211 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000105719889 1411112070 /nfs/dbraw/zinc/11/20/70/1411112070.db2.gz DNBCYXBERFQZLR-UHFFFAOYSA-N 1 0 377.492 3.433 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)CC1 ZINC000105974457 1411138005 /nfs/dbraw/zinc/13/80/05/1411138005.db2.gz HXTNYRFXQUKXOP-UHFFFAOYSA-N 1 0 388.471 3.197 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)CC1 ZINC000106035394 1411154193 /nfs/dbraw/zinc/15/41/93/1411154193.db2.gz UNQIJHLMZRRTGS-XMSQKQJNSA-N 1 0 397.563 3.143 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000106035191 1411154845 /nfs/dbraw/zinc/15/48/45/1411154845.db2.gz NPLQRQWNRAEXBW-UHFFFAOYSA-N 1 0 385.489 3.309 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC000106035382 1411154932 /nfs/dbraw/zinc/15/49/32/1411154932.db2.gz UOJJZRPWQJKLJN-UHFFFAOYSA-N 1 0 389.584 3.398 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccccc2OCC(F)(F)F)CC1 ZINC000106034669 1411155021 /nfs/dbraw/zinc/15/50/21/1411155021.db2.gz GYEDIYXSNFQMAQ-UHFFFAOYSA-N 1 0 386.414 3.163 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)CC1 ZINC000106036205 1411155224 /nfs/dbraw/zinc/15/52/24/1411155224.db2.gz RSCPWNSMPYTLMB-UHFFFAOYSA-N 1 0 397.544 3.448 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1 ZINC000106037332 1411155689 /nfs/dbraw/zinc/15/56/89/1411155689.db2.gz SMJGJTWGGFTVMQ-UHFFFAOYSA-N 1 0 398.532 3.095 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)CC1 ZINC000106036948 1411155756 /nfs/dbraw/zinc/15/57/56/1411155756.db2.gz DCFYBOSMYHYPMC-UHFFFAOYSA-N 1 0 385.537 3.073 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1 ZINC000106037737 1411155786 /nfs/dbraw/zinc/15/57/86/1411155786.db2.gz LTIKLCQHEFSNCF-UHFFFAOYSA-N 1 0 378.476 3.104 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)CC1 ZINC000106037334 1411156307 /nfs/dbraw/zinc/15/63/07/1411156307.db2.gz UKRPEILWQDZTMY-UHFFFAOYSA-N 1 0 399.564 3.463 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C/c2cccc(OC)c2OC(F)F)CC1 ZINC000106038956 1411156347 /nfs/dbraw/zinc/15/63/47/1411156347.db2.gz MFPDSGXUFVQUEA-BQYQJAHWSA-N 1 0 380.435 3.467 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000106038727 1411156628 /nfs/dbraw/zinc/15/66/28/1411156628.db2.gz IFQQEOVUUXTYLA-UHFFFAOYSA-N 1 0 386.496 3.355 20 30 GGEDRO C=C(C)CN1CCC([NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000106245721 1411184428 /nfs/dbraw/zinc/18/44/28/1411184428.db2.gz UHPVGILWCQWTIF-UHFFFAOYSA-N 1 0 396.535 3.379 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OCC)c(OC)c2)CC1 ZINC000106259727 1411186340 /nfs/dbraw/zinc/18/63/40/1411186340.db2.gz QACZBZVIKLBENJ-MRXNPFEDSA-N 1 0 375.513 3.495 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000106265184 1411187437 /nfs/dbraw/zinc/18/74/37/1411187437.db2.gz NDFLLRKCKBJLMT-UHFFFAOYSA-N 1 0 385.430 3.424 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000106266068 1411187533 /nfs/dbraw/zinc/18/75/33/1411187533.db2.gz DCONUFQNCQOOFI-UHFFFAOYSA-N 1 0 389.515 3.214 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000106275652 1411188855 /nfs/dbraw/zinc/18/88/55/1411188855.db2.gz FPPODZPESHOGCD-SFHVURJKSA-N 1 0 394.560 3.116 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC(=O)OCC)c2ccc(F)cc2)CC1 ZINC000106274818 1411189097 /nfs/dbraw/zinc/18/90/97/1411189097.db2.gz TZOOQMBMLCFURD-IBGZPJMESA-N 1 0 391.487 3.160 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000106275799 1411189414 /nfs/dbraw/zinc/18/94/14/1411189414.db2.gz KGGITKXPKIDNMA-MRXNPFEDSA-N 1 0 399.539 3.371 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000106275797 1411189616 /nfs/dbraw/zinc/18/96/16/1411189616.db2.gz KGGITKXPKIDNMA-INIZCTEOSA-N 1 0 399.539 3.371 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000106276111 1411189844 /nfs/dbraw/zinc/18/98/44/1411189844.db2.gz JKVFLZOXLAHSSD-UHFFFAOYSA-N 1 0 390.959 3.208 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000176996593 1428546339 /nfs/dbraw/zinc/54/63/39/1428546339.db2.gz KGRKXMPVBXGUSH-UHFFFAOYSA-N 1 0 391.431 3.316 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000106341230 1411198080 /nfs/dbraw/zinc/19/80/80/1411198080.db2.gz BJYBWORRRQQDOV-IBGZPJMESA-N 1 0 385.508 3.345 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000106341299 1411198363 /nfs/dbraw/zinc/19/83/63/1411198363.db2.gz OWSYOHQFVFITCQ-HXUWFJFHSA-N 1 0 387.524 3.123 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000106349091 1411201217 /nfs/dbraw/zinc/20/12/17/1411201217.db2.gz CATJQKIHJOKVJR-UHFFFAOYSA-N 1 0 385.508 3.103 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2N2CCCCCC2)CC1 ZINC000106349599 1411201329 /nfs/dbraw/zinc/20/13/29/1411201329.db2.gz VPMVQVMXXWJENL-UHFFFAOYSA-N 1 0 398.551 3.162 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000106349201 1411201355 /nfs/dbraw/zinc/20/13/55/1411201355.db2.gz LRUZKQNKNWQZKN-UHFFFAOYSA-N 1 0 383.414 3.109 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3csc(C)n3)cc2)CC1 ZINC000106349193 1411201636 /nfs/dbraw/zinc/20/16/36/1411201636.db2.gz INQMLHMXMRQODK-UHFFFAOYSA-N 1 0 398.532 3.214 20 30 GGEDRO N#Cc1ccsc1N1CC[C@@H](N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1=O ZINC000176997017 1428546995 /nfs/dbraw/zinc/54/69/95/1428546995.db2.gz HBEVIEKIHLMKAJ-LJQANCHMSA-N 1 0 398.507 3.072 20 30 GGEDRO C=CCc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc(OC)c1OC ZINC000106551043 1411243426 /nfs/dbraw/zinc/24/34/26/1411243426.db2.gz BYAUDZDJHOWGPQ-SFHVURJKSA-N 1 0 387.524 3.248 20 30 GGEDRO C#Cc1cccc(NC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c1 ZINC000106584891 1411258829 /nfs/dbraw/zinc/25/88/29/1411258829.db2.gz AZGKARXQJPJNSU-UHFFFAOYSA-N 1 0 380.467 3.271 20 30 GGEDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106773176 1411298719 /nfs/dbraw/zinc/29/87/19/1411298719.db2.gz RMJASIPCIRLAJX-UHFFFAOYSA-N 1 0 385.439 3.140 20 30 GGEDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106865582 1411311538 /nfs/dbraw/zinc/31/15/38/1411311538.db2.gz ZXMZRIGRAGWFTJ-PBHICJAKSA-N 1 0 375.538 3.453 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCCC[C@@H]2[C@@H](C)O)c1C#N ZINC000106865901 1411311813 /nfs/dbraw/zinc/31/18/13/1411311813.db2.gz DOMMRPQQCKZDGI-WIYYLYMNSA-N 1 0 394.519 3.199 20 30 GGEDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106865584 1411312060 /nfs/dbraw/zinc/31/20/60/1411312060.db2.gz ZXMZRIGRAGWFTJ-WMLDXEAASA-N 1 0 375.538 3.453 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2C#N)C(C)C)cc1 ZINC000107307581 1411358910 /nfs/dbraw/zinc/35/89/10/1411358910.db2.gz QSEFBXKLKVVYCL-NRFANRHFSA-N 1 0 381.476 3.167 20 30 GGEDRO CCOCCCNC(=O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177025988 1428559521 /nfs/dbraw/zinc/55/95/21/1428559521.db2.gz UWNFOLQEXJWXGK-UHFFFAOYSA-N 1 0 396.453 3.312 20 30 GGEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000107378981 1411367435 /nfs/dbraw/zinc/36/74/35/1411367435.db2.gz TVLAVXSDOIISQH-UHFFFAOYSA-N 1 0 389.406 3.150 20 30 GGEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)cn3)cc2Cl)CC1 ZINC000107461548 1411380025 /nfs/dbraw/zinc/38/00/25/1411380025.db2.gz UIMJHSABCHRFCC-UHFFFAOYSA-N 1 0 383.883 3.391 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)nc1 ZINC000107469639 1411381210 /nfs/dbraw/zinc/38/12/10/1411381210.db2.gz XJUILIKXJWRIFW-UHFFFAOYSA-N 1 0 377.448 3.020 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)cn1 ZINC000107574955 1411388748 /nfs/dbraw/zinc/38/87/48/1411388748.db2.gz ZDVUXKHIIWXKJZ-UHFFFAOYSA-N 1 0 376.382 3.176 20 30 GGEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000107591197 1411389777 /nfs/dbraw/zinc/38/97/77/1411389777.db2.gz WZEJILASAYGHSI-VAWYXSNFSA-N 1 0 388.515 3.025 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCOC2)c1C#N ZINC000107690121 1411398437 /nfs/dbraw/zinc/39/84/37/1411398437.db2.gz VSODESFPYIUTOY-KRWDZBQOSA-N 1 0 398.482 3.402 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000107747686 1411406084 /nfs/dbraw/zinc/40/60/84/1411406084.db2.gz GMNRYXCDPMZGLY-QGZVFWFLSA-N 1 0 385.430 3.079 20 30 GGEDRO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000108304521 1411469282 /nfs/dbraw/zinc/46/92/82/1411469282.db2.gz SGSYRCKZXPZVKE-NRFANRHFSA-N 1 0 375.472 3.351 20 30 GGEDRO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000108304518 1411469913 /nfs/dbraw/zinc/46/99/13/1411469913.db2.gz SGSYRCKZXPZVKE-OAQYLSRUSA-N 1 0 375.472 3.351 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)Nc3cc(N)ccc3F)CC2)c1 ZINC000177050226 1428568963 /nfs/dbraw/zinc/56/89/63/1428568963.db2.gz ROUUJWLIRGYEPE-UHFFFAOYSA-N 1 0 382.439 3.152 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108375360 1411483330 /nfs/dbraw/zinc/48/33/30/1411483330.db2.gz UAHFEHDPHFALLS-NRFANRHFSA-N 1 0 385.487 3.135 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000108388957 1411486517 /nfs/dbraw/zinc/48/65/17/1411486517.db2.gz MWJLYFLXNSTHGB-JOCHJYFZSA-N 1 0 381.451 3.472 20 30 GGEDRO CCCO[C@@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000108395289 1411490776 /nfs/dbraw/zinc/49/07/76/1411490776.db2.gz DBNTUMPFEAMNAC-LJQANCHMSA-N 1 0 396.453 3.454 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000108399935 1411491245 /nfs/dbraw/zinc/49/12/45/1411491245.db2.gz PMXPYHPETBTNIN-UHFFFAOYSA-N 1 0 397.544 3.232 20 30 GGEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000108468665 1411512048 /nfs/dbraw/zinc/51/20/48/1411512048.db2.gz PYFQNOXIEUEUMF-UNMCSNQZSA-N 1 0 379.504 3.251 20 30 GGEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000108506426 1411523794 /nfs/dbraw/zinc/52/37/94/1411523794.db2.gz IQZXCLDYOMKFDK-KRWDZBQOSA-N 1 0 391.475 3.274 20 30 GGEDRO C#CCOc1cccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000108520319 1411527385 /nfs/dbraw/zinc/52/73/85/1411527385.db2.gz RXDDMLUSKKYEAT-UHFFFAOYSA-N 1 0 392.503 3.264 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000108529065 1411530831 /nfs/dbraw/zinc/53/08/31/1411530831.db2.gz QIPCNCRTPHTLGZ-OAHLLOKOSA-N 1 0 376.526 3.171 20 30 GGEDRO CC1(C)CC(NC(=O)C(=O)Nc2ccccc2SCCC#N)CC(C)(C)[NH2+]1 ZINC000108603354 1411548469 /nfs/dbraw/zinc/54/84/69/1411548469.db2.gz BEJNPLVXIVFWSI-UHFFFAOYSA-N 1 0 388.537 3.056 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[N@@H+]1C1CC1 ZINC000177076291 1428579520 /nfs/dbraw/zinc/57/95/20/1428579520.db2.gz BSIHSUPWMLTYFQ-OXJNMPFZSA-N 1 0 375.472 3.492 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[N@@H+]1C1CC1 ZINC000177076258 1428579786 /nfs/dbraw/zinc/57/97/86/1428579786.db2.gz BSIHSUPWMLTYFQ-JXFKEZNVSA-N 1 0 375.472 3.492 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(n3cccn3)CC1)CCCC2 ZINC000109007875 1411660249 /nfs/dbraw/zinc/66/02/49/1411660249.db2.gz IEECVQAUYIIGKL-UHFFFAOYSA-N 1 0 383.521 3.361 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C(=O)NC)cc1 ZINC000109026040 1411664875 /nfs/dbraw/zinc/66/48/75/1411664875.db2.gz UCZDCBHSODFCFN-UHFFFAOYSA-N 1 0 399.564 3.144 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000109028538 1411665799 /nfs/dbraw/zinc/66/57/99/1411665799.db2.gz NZYUNQJFCGXICQ-INIZCTEOSA-N 1 0 389.569 3.228 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000109029460 1411665882 /nfs/dbraw/zinc/66/58/82/1411665882.db2.gz PDTFEBXKKTYFCM-HNNXBMFYSA-N 1 0 376.526 3.313 20 30 GGEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000109034387 1411667807 /nfs/dbraw/zinc/66/78/07/1411667807.db2.gz BHIRGQZOTLIUTM-HZPDHXFCSA-N 1 0 388.537 3.010 20 30 GGEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C2(C#N)CCOCC2)cc1 ZINC000109139192 1411692082 /nfs/dbraw/zinc/69/20/82/1411692082.db2.gz KJBSXALOJFGVBC-UHFFFAOYSA-N 1 0 377.488 3.352 20 30 GGEDRO N#CC1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCOCC1 ZINC000109142349 1411693179 /nfs/dbraw/zinc/69/31/79/1411693179.db2.gz CUVUWYJMKNLIEL-UHFFFAOYSA-N 1 0 398.507 3.150 20 30 GGEDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000109163150 1411698139 /nfs/dbraw/zinc/69/81/39/1411698139.db2.gz PAMLLRVCUVUMLQ-UHFFFAOYSA-N 1 0 394.475 3.271 20 30 GGEDRO CC(C)OCCCNC(=O)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177110803 1428590547 /nfs/dbraw/zinc/59/05/47/1428590547.db2.gz AACXXLGZKGBANF-UHFFFAOYSA-N 1 0 376.928 3.335 20 30 GGEDRO COc1cc(OC)c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC)c1 ZINC000109351784 1411746595 /nfs/dbraw/zinc/74/65/95/1411746595.db2.gz BHJOFYIPGTWRLZ-MRXNPFEDSA-N 1 0 399.466 3.482 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000109515053 1411777331 /nfs/dbraw/zinc/77/73/31/1411777331.db2.gz WFTYXZIPWBYXLX-MRXNPFEDSA-N 1 0 383.517 3.415 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000109515050 1411777489 /nfs/dbraw/zinc/77/74/89/1411777489.db2.gz WFTYXZIPWBYXLX-INIZCTEOSA-N 1 0 383.517 3.415 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000109761455 1411808293 /nfs/dbraw/zinc/80/82/93/1411808293.db2.gz BUIDEKKLVRGHCV-HXUWFJFHSA-N 1 0 379.460 3.274 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000109761452 1411808309 /nfs/dbraw/zinc/80/83/09/1411808309.db2.gz BUIDEKKLVRGHCV-FQEVSTJZSA-N 1 0 379.460 3.274 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109761674 1411808432 /nfs/dbraw/zinc/80/84/32/1411808432.db2.gz LUWSMVBBZYOXSS-LJQANCHMSA-N 1 0 379.460 3.274 20 30 GGEDRO CCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000109873780 1411815801 /nfs/dbraw/zinc/81/58/01/1411815801.db2.gz KLQQEHDUANSKCN-PXNSSMCTSA-N 1 0 381.476 3.037 20 30 GGEDRO C=CCOc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cc1OC ZINC000109982158 1411823204 /nfs/dbraw/zinc/82/32/04/1411823204.db2.gz SDEGLIFYGOIYSW-UHFFFAOYSA-N 1 0 388.508 3.025 20 30 GGEDRO C[C@@H]1CCCN(c2cc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ncn2)C1 ZINC000110124529 1411832830 /nfs/dbraw/zinc/83/28/30/1411832830.db2.gz LUYGXZWDHCUJKY-LJQANCHMSA-N 1 0 390.535 3.297 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)[NH+]2CCCC2)cc1 ZINC000110170803 1411835389 /nfs/dbraw/zinc/83/53/89/1411835389.db2.gz CPLPLEDPEYYIKC-JOCHJYFZSA-N 1 0 393.487 3.093 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000110196292 1411836787 /nfs/dbraw/zinc/83/67/87/1411836787.db2.gz OSPRTGHXRHZXJE-FQEVSTJZSA-N 1 0 391.515 3.493 20 30 GGEDRO COc1cc(/C=C/C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1OCC#N ZINC000110352610 1411846245 /nfs/dbraw/zinc/84/62/45/1411846245.db2.gz MVRSKAQLWGURJB-KSEUIEODSA-N 1 0 393.487 3.247 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110669817 1411863050 /nfs/dbraw/zinc/86/30/50/1411863050.db2.gz SIMYGOGHOLEMDJ-UHFFFAOYSA-N 1 0 387.430 3.000 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110669783 1411863060 /nfs/dbraw/zinc/86/30/60/1411863060.db2.gz JEFDORRQOXOFKV-UHFFFAOYSA-N 1 0 385.895 3.375 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110669799 1411863172 /nfs/dbraw/zinc/86/31/72/1411863172.db2.gz JXYQYTRPEQSSCH-UHFFFAOYSA-N 1 0 387.430 3.000 20 30 GGEDRO N#CCOc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000110673677 1411863261 /nfs/dbraw/zinc/86/32/61/1411863261.db2.gz WRNCWWLEPAUUOM-GOSISDBHSA-N 1 0 383.517 3.221 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000110872553 1411875019 /nfs/dbraw/zinc/87/50/19/1411875019.db2.gz UEMWBZFUVSVXID-UHFFFAOYSA-N 1 0 381.476 3.102 20 30 GGEDRO C=CCn1c(C)cc(C(=O)CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000110991084 1411880882 /nfs/dbraw/zinc/88/08/82/1411880882.db2.gz REJYUAQWSAWGDL-RTBURBONSA-N 1 0 387.568 3.295 20 30 GGEDRO C=CCn1c(C)cc(C(=O)CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000110991081 1411881063 /nfs/dbraw/zinc/88/10/63/1411881063.db2.gz REJYUAQWSAWGDL-KDURUIRLSA-N 1 0 387.568 3.295 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc(NC(N)=O)cc2)C(=S)NCC2CCC2)cc1 ZINC000111163190 1411892536 /nfs/dbraw/zinc/89/25/36/1411892536.db2.gz NBSRJGBXQOMSPA-UHFFFAOYSA-O 1 0 397.524 3.102 20 30 GGEDRO C[C@@H](O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000111288557 1411899657 /nfs/dbraw/zinc/89/96/57/1411899657.db2.gz DCTHZEKNVJDYOX-CQSZACIVSA-N 1 0 375.538 3.310 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000111407865 1411945328 /nfs/dbraw/zinc/94/53/28/1411945328.db2.gz IPMKKJOIYLHXPJ-KNQAVFIVSA-N 1 0 379.504 3.011 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[N@@H+]1C1CC1 ZINC000177172448 1428613128 /nfs/dbraw/zinc/61/31/28/1428613128.db2.gz WJUOLDXOTIDXLS-OXJNMPFZSA-N 1 0 375.472 3.492 20 30 GGEDRO C[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000111609828 1412001652 /nfs/dbraw/zinc/00/16/52/1412001652.db2.gz QFARHSZKIOFFKV-GOSISDBHSA-N 1 0 389.499 3.375 20 30 GGEDRO C[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000111609825 1412001795 /nfs/dbraw/zinc/00/17/95/1412001795.db2.gz QFARHSZKIOFFKV-SFHVURJKSA-N 1 0 389.499 3.375 20 30 GGEDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@@H](C)O1 ZINC000111770435 1412027619 /nfs/dbraw/zinc/02/76/19/1412027619.db2.gz AKSZFYIYNJUWHF-RTBURBONSA-N 1 0 392.503 3.102 20 30 GGEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@H](C)O1 ZINC000111770430 1412027952 /nfs/dbraw/zinc/02/79/52/1412027952.db2.gz AKSZFYIYNJUWHF-KDURUIRLSA-N 1 0 392.503 3.102 20 30 GGEDRO CC(C)[NH+]1CCC(NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000111797259 1412029983 /nfs/dbraw/zinc/02/99/83/1412029983.db2.gz DEBKUXQDKNFTPU-UHFFFAOYSA-N 1 0 384.524 3.420 20 30 GGEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000111810599 1412032668 /nfs/dbraw/zinc/03/26/68/1412032668.db2.gz AJIHPCAVQWEMTK-UHFFFAOYSA-N 1 0 382.508 3.174 20 30 GGEDRO CCc1nc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cs1 ZINC000111895015 1412044936 /nfs/dbraw/zinc/04/49/36/1412044936.db2.gz IKFYUVLDAZHVMO-OAHLLOKOSA-N 1 0 385.537 3.412 20 30 GGEDRO CCc1nc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cs1 ZINC000111895016 1412045055 /nfs/dbraw/zinc/04/50/55/1412045055.db2.gz IKFYUVLDAZHVMO-HNNXBMFYSA-N 1 0 385.537 3.412 20 30 GGEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000111914591 1412052321 /nfs/dbraw/zinc/05/23/21/1412052321.db2.gz VGWPYECVMNHMJC-KRWDZBQOSA-N 1 0 398.551 3.443 20 30 GGEDRO CCOc1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000112279521 1412118483 /nfs/dbraw/zinc/11/84/83/1412118483.db2.gz BKLIMUKEASSXGP-UHFFFAOYSA-N 1 0 386.883 3.209 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN([C@@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000112337914 1412133273 /nfs/dbraw/zinc/13/32/73/1412133273.db2.gz VCOCDYODHHXCPG-JOCHJYFZSA-N 1 0 392.478 3.011 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000112407699 1412142028 /nfs/dbraw/zinc/14/20/28/1412142028.db2.gz WZIOKLWYBLMMLB-HXUWFJFHSA-N 1 0 392.503 3.077 20 30 GGEDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(N(C)CCC#N)cc3)C2)ncn1 ZINC000112505739 1412159037 /nfs/dbraw/zinc/15/90/37/1412159037.db2.gz FQTHAGXNHMXUFK-HXUWFJFHSA-N 1 0 378.524 3.147 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)N(C)CCC#N ZINC000112527304 1412162313 /nfs/dbraw/zinc/16/23/13/1412162313.db2.gz LIXVDYQWYYUIPT-IAGOWNOFSA-N 1 0 378.476 3.350 20 30 GGEDRO CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000112523186 1412162701 /nfs/dbraw/zinc/16/27/01/1412162701.db2.gz DUJNYGPHZAUHMT-GGAORHGYSA-N 1 0 384.568 3.417 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000112533487 1412164595 /nfs/dbraw/zinc/16/45/95/1412164595.db2.gz TWXPTNOEMUMSEV-HOTGVXAUSA-N 1 0 396.466 3.489 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000112533490 1412164711 /nfs/dbraw/zinc/16/47/11/1412164711.db2.gz TWXPTNOEMUMSEV-JKSUJKDBSA-N 1 0 396.466 3.489 20 30 GGEDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)C(=O)N(C)CCC#N ZINC000112535152 1412165355 /nfs/dbraw/zinc/16/53/55/1412165355.db2.gz NYUZTTFWDOIQAI-CQSZACIVSA-N 1 0 398.334 3.392 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000112543925 1412166093 /nfs/dbraw/zinc/16/60/93/1412166093.db2.gz XEORFNWFJNKVDL-QGZVFWFLSA-N 1 0 386.496 3.266 20 30 GGEDRO CC1CC[NH+](C[C@@H]2CCCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000112648579 1412186340 /nfs/dbraw/zinc/18/63/40/1412186340.db2.gz OCKSHLBGXJKNDT-RBBKRZOGSA-N 1 0 380.536 3.107 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(C)C ZINC000112919941 1412241434 /nfs/dbraw/zinc/24/14/34/1412241434.db2.gz RHMIQJYCCBMYAK-HKUYNNGSSA-N 1 0 387.549 3.304 20 30 GGEDRO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000112998612 1412253674 /nfs/dbraw/zinc/25/36/74/1412253674.db2.gz BKIOGHOCLZLPCB-HOTGVXAUSA-N 1 0 386.496 3.217 20 30 GGEDRO C[C@@H](ON=C(N)C[NH+]1CCCCCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000113249967 1412282856 /nfs/dbraw/zinc/28/28/56/1412282856.db2.gz RXIQKMUOFWAMFL-CYBMUJFWSA-N 1 0 386.418 3.197 20 30 GGEDRO Cc1cc(C)c(NC(=O)[C@@H](C)ON=C(N)C[NH+]2CCCCCC2)c(Cl)c1 ZINC000113250098 1412282904 /nfs/dbraw/zinc/28/29/04/1412282904.db2.gz BURKJLLMZREUJJ-OAHLLOKOSA-N 1 0 380.920 3.449 20 30 GGEDRO Cc1cc(C)c(NC(=O)[C@H](C)ON=C(N)C[NH+]2CCCCCC2)c(Cl)c1 ZINC000113250099 1412283210 /nfs/dbraw/zinc/28/32/10/1412283210.db2.gz BURKJLLMZREUJJ-HNNXBMFYSA-N 1 0 380.920 3.449 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1 ZINC000113313193 1412291658 /nfs/dbraw/zinc/29/16/58/1412291658.db2.gz YODLYWHSWWELHK-XMMPIXPASA-N 1 0 394.515 3.260 20 30 GGEDRO CCOC(=O)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000113318591 1412291799 /nfs/dbraw/zinc/29/17/99/1412291799.db2.gz OUDPMJRNLSHHMG-UHFFFAOYSA-N 1 0 381.480 3.174 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000113313422 1412291868 /nfs/dbraw/zinc/29/18/68/1412291868.db2.gz XTOUAIVPYMSSAL-HSZRJFAPSA-N 1 0 382.479 3.391 20 30 GGEDRO C=CCc1cc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)cc(OC)c1O ZINC000113316451 1412291876 /nfs/dbraw/zinc/29/18/76/1412291876.db2.gz QDAYPRYCHYUQHG-LJQANCHMSA-N 1 0 386.492 3.194 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000113323871 1412292517 /nfs/dbraw/zinc/29/25/17/1412292517.db2.gz WHINHVBBQCRSLT-INIZCTEOSA-N 1 0 391.441 3.438 20 30 GGEDRO C#CCOc1ccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000113328259 1412293155 /nfs/dbraw/zinc/29/31/55/1412293155.db2.gz ADFBEZWJHRAOEM-UHFFFAOYSA-N 1 0 379.456 3.265 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000113329341 1412293474 /nfs/dbraw/zinc/29/34/74/1412293474.db2.gz YJZWZADVLKUIRH-HSZRJFAPSA-N 1 0 382.479 3.391 20 30 GGEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000113328393 1412293537 /nfs/dbraw/zinc/29/35/37/1412293537.db2.gz RGPXHKVKHZKDKJ-RTBURBONSA-N 1 0 392.499 3.238 20 30 GGEDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000113345210 1412295329 /nfs/dbraw/zinc/29/53/29/1412295329.db2.gz FARACVBUYUDGQE-UHFFFAOYSA-N 1 0 386.517 3.440 20 30 GGEDRO Cc1ccc(COc2ccc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)cc2)cc1 ZINC000113360743 1412298177 /nfs/dbraw/zinc/29/81/77/1412298177.db2.gz QJCMAUKOOKVBAC-GHVJWSGMSA-N 1 0 391.471 3.190 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000113374479 1412300522 /nfs/dbraw/zinc/30/05/22/1412300522.db2.gz OEUIFPHYIYOREA-UHFFFAOYSA-N 1 0 378.476 3.184 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000113391582 1412303013 /nfs/dbraw/zinc/30/30/13/1412303013.db2.gz UMOLJHNPHZVBSP-FQEVSTJZSA-N 1 0 384.524 3.433 20 30 GGEDRO N#CCOc1cccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000113409385 1412304070 /nfs/dbraw/zinc/30/40/70/1412304070.db2.gz QCBJMYPBFYVFPO-NRFANRHFSA-N 1 0 378.476 3.225 20 30 GGEDRO C[NH+](C)CCCOc1ccc(NC(=O)NCc2cccc(OCC#N)c2)cc1 ZINC000113569698 1412317560 /nfs/dbraw/zinc/31/75/60/1412317560.db2.gz ZLCGOXSXOOIKGQ-UHFFFAOYSA-N 1 0 382.464 3.241 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1OC ZINC000113591937 1412318864 /nfs/dbraw/zinc/31/88/64/1412318864.db2.gz XFFNLZIVDFNAOF-AEFFLSMTSA-N 1 0 388.512 3.050 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1OC ZINC000113591931 1412319068 /nfs/dbraw/zinc/31/90/68/1412319068.db2.gz XFFNLZIVDFNAOF-WMZOPIPTSA-N 1 0 388.512 3.050 20 30 GGEDRO C=CCSCCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000113606464 1412321176 /nfs/dbraw/zinc/32/11/76/1412321176.db2.gz YMNMUQIODBDRGR-KRWDZBQOSA-N 1 0 377.554 3.105 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)ccc1OC ZINC000113631075 1412324049 /nfs/dbraw/zinc/32/40/49/1412324049.db2.gz CKWKCDLWVKKDHA-GOSISDBHSA-N 1 0 388.512 3.048 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(OCC#N)c1 ZINC000113629934 1412324253 /nfs/dbraw/zinc/32/42/53/1412324253.db2.gz UWTNGTTZYUXXOZ-UHFFFAOYSA-N 1 0 384.455 3.001 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000113945139 1412357356 /nfs/dbraw/zinc/35/73/56/1412357356.db2.gz MOJGWELZTHTKAP-CVEARBPZSA-N 1 0 395.956 3.487 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000113949296 1412357985 /nfs/dbraw/zinc/35/79/85/1412357985.db2.gz ZOZCMIRKBBBDDN-KRWDZBQOSA-N 1 0 375.350 3.352 20 30 GGEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000113961204 1412359400 /nfs/dbraw/zinc/35/94/00/1412359400.db2.gz LKWXMRKSSHREPW-FQEVSTJZSA-N 1 0 390.487 3.455 20 30 GGEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000113967980 1412360125 /nfs/dbraw/zinc/36/01/25/1412360125.db2.gz ABPUDRGJXMSVNY-HXUWFJFHSA-N 1 0 380.492 3.429 20 30 GGEDRO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1 ZINC000113976755 1412361771 /nfs/dbraw/zinc/36/17/71/1412361771.db2.gz IJLXWWOOCSCJBX-IBGZPJMESA-N 1 0 392.503 3.243 20 30 GGEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000113980993 1412363344 /nfs/dbraw/zinc/36/33/44/1412363344.db2.gz OZPDCKSCHSNDHX-PZJWPPBQSA-N 1 0 380.492 3.470 20 30 GGEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccccc1 ZINC000114032176 1412372727 /nfs/dbraw/zinc/37/27/27/1412372727.db2.gz KYWURAVZZRVYSD-GOSISDBHSA-N 1 0 380.492 3.099 20 30 GGEDRO N#CCCN(C(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000114193299 1412391934 /nfs/dbraw/zinc/39/19/34/1412391934.db2.gz ZITXIBPWKUNYCW-JOCHJYFZSA-N 1 0 377.488 3.305 20 30 GGEDRO COC(=O)CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000114197385 1412392715 /nfs/dbraw/zinc/39/27/15/1412392715.db2.gz NPZOLMXQDHBOCS-UHFFFAOYSA-N 1 0 377.510 3.101 20 30 GGEDRO C[C@H](CCN1CCOCC1)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000114368448 1412420378 /nfs/dbraw/zinc/42/03/78/1412420378.db2.gz QAVXVXXUWQLACP-MRXNPFEDSA-N 1 0 397.450 3.330 20 30 GGEDRO C[C@H](CCN1CCOCC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000114371316 1412420413 /nfs/dbraw/zinc/42/04/13/1412420413.db2.gz FCBUZKUNTJNLMB-QGZVFWFLSA-N 1 0 379.460 3.191 20 30 GGEDRO C[C@@H](CCN1CCOCC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000114371312 1412420844 /nfs/dbraw/zinc/42/08/44/1412420844.db2.gz FCBUZKUNTJNLMB-KRWDZBQOSA-N 1 0 379.460 3.191 20 30 GGEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000114466656 1412438967 /nfs/dbraw/zinc/43/89/67/1412438967.db2.gz MKASIRIBRLSUEI-CTNGQTDRSA-N 1 0 398.466 3.205 20 30 GGEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000114466658 1412439080 /nfs/dbraw/zinc/43/90/80/1412439080.db2.gz MKASIRIBRLSUEI-TZIWHRDSSA-N 1 0 398.466 3.205 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472640 1412440778 /nfs/dbraw/zinc/44/07/78/1412440778.db2.gz MWRCERNUNLRFDK-DLBZAZTESA-N 1 0 397.523 3.197 20 30 GGEDRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)N(C)CCC#N)CCCCC2)cc1OC ZINC000114501881 1412447430 /nfs/dbraw/zinc/44/74/30/1412447430.db2.gz JAAYWJBZDDDQTO-QGZVFWFLSA-N 1 0 387.524 3.256 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177263756 1428660483 /nfs/dbraw/zinc/66/04/83/1428660483.db2.gz YSGRHCVAXPEWMC-UHFFFAOYSA-N 1 0 385.556 3.260 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000114741062 1412515314 /nfs/dbraw/zinc/51/53/14/1412515314.db2.gz QBTZKXMGHKTHOY-PKOBYXMFSA-N 1 0 375.538 3.142 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000114747458 1412517008 /nfs/dbraw/zinc/51/70/08/1412517008.db2.gz DNFSZHMBOSVNPJ-HOTGVXAUSA-N 1 0 376.460 3.363 20 30 GGEDRO Cc1ccccc1C1(C[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000114750179 1412518502 /nfs/dbraw/zinc/51/85/02/1412518502.db2.gz VAXXGALJEIYPKJ-JOCHJYFZSA-N 1 0 389.499 3.310 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000115029612 1412572463 /nfs/dbraw/zinc/57/24/63/1412572463.db2.gz FMZXSMGUKASTMF-QFIPXVFZSA-N 1 0 377.488 3.153 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CC1 ZINC000115258138 1412623514 /nfs/dbraw/zinc/62/35/14/1412623514.db2.gz HTXAHMFXFDMMGT-HHHXNRCGSA-N 1 0 380.513 3.278 20 30 GGEDRO N#Cc1cccc(OCc2cccc(C(=O)NC3CC[NH+](C4CC4)CC3)c2)c1 ZINC000115324265 1412647871 /nfs/dbraw/zinc/64/78/71/1412647871.db2.gz GADQBJSJNWDOMS-UHFFFAOYSA-N 1 0 375.472 3.494 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sc(-c2cnn(C)c2)nc1C)C(C)C ZINC000115383863 1412663708 /nfs/dbraw/zinc/66/37/08/1412663708.db2.gz MCUIYZUVWZPQPM-KRWDZBQOSA-N 1 0 387.553 3.280 20 30 GGEDRO COc1cc(/C=C/C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)ccc1OCC#N ZINC000115418208 1412671175 /nfs/dbraw/zinc/67/11/75/1412671175.db2.gz AYRPNBWELIIIDC-RMKNXTFCSA-N 1 0 397.450 3.128 20 30 GGEDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000115511652 1412697148 /nfs/dbraw/zinc/69/71/48/1412697148.db2.gz AJXDNRMCFHWCLE-ZDWFVDTJSA-N 1 0 388.471 3.161 20 30 GGEDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000115512114 1412697909 /nfs/dbraw/zinc/69/79/09/1412697909.db2.gz NGQARUJMFKCSLA-DYESRHJHSA-N 1 0 388.471 3.158 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000115520409 1412700322 /nfs/dbraw/zinc/70/03/22/1412700322.db2.gz HHRPZHBGOPXKCS-UHFFFAOYSA-N 1 0 382.420 3.330 20 30 GGEDRO N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000115516215 1412700349 /nfs/dbraw/zinc/70/03/49/1412700349.db2.gz UZWJGGBHYSFLKC-UHFFFAOYSA-N 1 0 396.335 3.063 20 30 GGEDRO C[N@H+](CCCO)C1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000115519402 1412700569 /nfs/dbraw/zinc/70/05/69/1412700569.db2.gz YYDIEANCNJSCCN-UHFFFAOYSA-N 1 0 376.863 3.182 20 30 GGEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115543514 1412703614 /nfs/dbraw/zinc/70/36/14/1412703614.db2.gz QPBYDPKREXVUNL-NRFANRHFSA-N 1 0 391.450 3.178 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115569832 1412715160 /nfs/dbraw/zinc/71/51/60/1412715160.db2.gz WTTOJKDKHGYABW-FQEVSTJZSA-N 1 0 376.460 3.014 20 30 GGEDRO Cc1nc(-c2ccc(CC[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)s2)cs1 ZINC000115595930 1412723651 /nfs/dbraw/zinc/72/36/51/1412723651.db2.gz LSVVTSNCVZPWTC-GOSISDBHSA-N 1 0 382.514 3.410 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115597060 1412724569 /nfs/dbraw/zinc/72/45/69/1412724569.db2.gz DLPUEEGCPQOZAB-VGSWGCGISA-N 1 0 376.504 3.106 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597014 1412725102 /nfs/dbraw/zinc/72/51/02/1412725102.db2.gz PHUFCNAWAAWNAL-VGSWGCGISA-N 1 0 376.504 3.106 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C(N)=O)cc1 ZINC000115598014 1412726064 /nfs/dbraw/zinc/72/60/64/1412726064.db2.gz LXUKJXCSBXOBMC-LJQANCHMSA-N 1 0 383.879 3.076 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)C(N)=O)cc1 ZINC000115598205 1412727733 /nfs/dbraw/zinc/72/77/33/1412727733.db2.gz WGSOSCKFHXZIIX-OAQYLSRUSA-N 1 0 391.471 3.305 20 30 GGEDRO CCOC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCC1 ZINC000177298172 1428676931 /nfs/dbraw/zinc/67/69/31/1428676931.db2.gz NYEJRUSIQDXZMF-UHFFFAOYSA-N 1 0 389.521 3.245 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)CC1 ZINC000116037966 1412824221 /nfs/dbraw/zinc/82/42/21/1412824221.db2.gz CYYGEGHFZAKNTB-UHFFFAOYSA-N 1 0 397.519 3.498 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000177304459 1428680204 /nfs/dbraw/zinc/68/02/04/1428680204.db2.gz DSMADXQGQPOTIY-CVEARBPZSA-N 1 0 387.505 3.251 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116357871 1412852576 /nfs/dbraw/zinc/85/25/76/1412852576.db2.gz MHYDIILDIGRKFV-KRWDZBQOSA-N 1 0 383.517 3.371 20 30 GGEDRO C[NH+](C)CC[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(C)(C)C ZINC000116438912 1412860736 /nfs/dbraw/zinc/86/07/36/1412860736.db2.gz XVFLTVPZTADVDY-FQEVSTJZSA-N 1 0 386.540 3.477 20 30 GGEDRO N#C[C@H](NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000116748520 1412914629 /nfs/dbraw/zinc/91/46/29/1412914629.db2.gz YQXSRVSGWMMJNM-NRFANRHFSA-N 1 0 380.467 3.109 20 30 GGEDRO COc1cc(C[N@H+](C)[C@H]2CCCCNC2=O)ccc1OCc1cccc(C#N)c1 ZINC000116878388 1412947290 /nfs/dbraw/zinc/94/72/90/1412947290.db2.gz HUQLBGPPJGIVCL-FQEVSTJZSA-N 1 0 393.487 3.246 20 30 GGEDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116879737 1412947633 /nfs/dbraw/zinc/94/76/33/1412947633.db2.gz HGMZZYUPNYUGOZ-MRXNPFEDSA-N 1 0 382.460 3.387 20 30 GGEDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000116879352 1412947748 /nfs/dbraw/zinc/94/77/48/1412947748.db2.gz BARTXTCPZJSICE-HXUWFJFHSA-N 1 0 393.487 3.104 20 30 GGEDRO Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)cc1 ZINC000116994288 1412974587 /nfs/dbraw/zinc/97/45/87/1412974587.db2.gz INCYXEAZJYZEJF-HXUWFJFHSA-N 1 0 380.488 3.344 20 30 GGEDRO C=CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1cccc(C#N)c1 ZINC000117336950 1413027769 /nfs/dbraw/zinc/02/77/69/1413027769.db2.gz VATAAWXNYBNRTC-UHFFFAOYSA-N 1 0 392.415 3.453 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000118092412 1413107206 /nfs/dbraw/zinc/10/72/06/1413107206.db2.gz NFSLMCUHGXUFMJ-HXUWFJFHSA-N 1 0 399.466 3.138 20 30 GGEDRO CC1CC[NH+]([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000118093309 1413107638 /nfs/dbraw/zinc/10/76/38/1413107638.db2.gz SSDGMTCYURNEIR-OAQYLSRUSA-N 1 0 390.487 3.086 20 30 GGEDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000118093117 1413107850 /nfs/dbraw/zinc/10/78/50/1413107850.db2.gz OPHNEIMCSPVURV-UHFFFAOYSA-N 1 0 390.915 3.121 20 30 GGEDRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000118093324 1413107987 /nfs/dbraw/zinc/10/79/87/1413107987.db2.gz OPJFPSDNUGMMCM-NRFANRHFSA-N 1 0 390.487 3.086 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCS[C@@H](C)[C@@H]2C)c1=S ZINC000118383400 1413157671 /nfs/dbraw/zinc/15/76/71/1413157671.db2.gz KXGMJIGNFGXARH-IRXDYDNUSA-N 1 0 395.642 3.412 20 30 GGEDRO N#CC1(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CCCC1 ZINC000118746656 1413214941 /nfs/dbraw/zinc/21/49/41/1413214941.db2.gz VYMYILMEFHYUIN-UHFFFAOYSA-N 1 0 375.900 3.383 20 30 GGEDRO C=CCCO[C@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000118746933 1413215357 /nfs/dbraw/zinc/21/53/57/1413215357.db2.gz IOAFRBFORCUNKK-MRXNPFEDSA-N 1 0 380.916 3.281 20 30 GGEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000118802203 1413224388 /nfs/dbraw/zinc/22/43/88/1413224388.db2.gz BXWZAUCKOJNVBD-CYBMUJFWSA-N 1 0 384.402 3.305 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CCC[C@@H]([NH+]3CCCC3)C2)sc2c1CCCC2 ZINC000118829174 1413236380 /nfs/dbraw/zinc/23/63/80/1413236380.db2.gz BTDYFWKQNSGQFX-MRXNPFEDSA-N 1 0 386.565 3.387 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000118837893 1413242384 /nfs/dbraw/zinc/24/23/84/1413242384.db2.gz RKVYIPNWQIPQAO-GOSISDBHSA-N 1 0 376.460 3.054 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](CCCCO)C2CC2)c1C#N ZINC000118844635 1413243848 /nfs/dbraw/zinc/24/38/48/1413243848.db2.gz VYUMMVGBAQUKLJ-UHFFFAOYSA-N 1 0 398.482 3.280 20 30 GGEDRO CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000118855180 1413247956 /nfs/dbraw/zinc/24/79/56/1413247956.db2.gz KEESOTHCZOUUBB-UNMCSNQZSA-N 1 0 386.467 3.129 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000118990078 1413293508 /nfs/dbraw/zinc/29/35/08/1413293508.db2.gz YIPLBFHBEKMAKZ-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C2(C#N)CCCC2)ccc1Cl ZINC000119098494 1413336056 /nfs/dbraw/zinc/33/60/56/1413336056.db2.gz QRFLYUXEHPBRSU-UHFFFAOYSA-N 1 0 390.915 3.434 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000119230493 1413382793 /nfs/dbraw/zinc/38/27/93/1413382793.db2.gz FNGHCFMYMHWTJQ-UHFFFAOYSA-N 1 0 392.503 3.415 20 30 GGEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000119431810 1413445492 /nfs/dbraw/zinc/44/54/92/1413445492.db2.gz XYWPMKSKIJCJSG-GOSISDBHSA-N 1 0 392.503 3.025 20 30 GGEDRO COC(=O)c1ccc(F)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000119609451 1413502998 /nfs/dbraw/zinc/50/29/98/1413502998.db2.gz UHLXLOYKXCNIMY-UHFFFAOYSA-N 1 0 398.438 3.080 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000119654645 1413517539 /nfs/dbraw/zinc/51/75/39/1413517539.db2.gz WPMFSOGTAQBCGG-LJQANCHMSA-N 1 0 399.535 3.160 20 30 GGEDRO C[C@@H]1CN(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000119707095 1413539378 /nfs/dbraw/zinc/53/93/78/1413539378.db2.gz MNWMEFXRNFOGGP-KDURUIRLSA-N 1 0 381.524 3.053 20 30 GGEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000119772539 1413563738 /nfs/dbraw/zinc/56/37/38/1413563738.db2.gz CLKLTOBITYUOJS-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(C#N)CC1)C1CCCCC1 ZINC000177449125 1428741599 /nfs/dbraw/zinc/74/15/99/1428741599.db2.gz VICWYQJVGVXGDK-UHFFFAOYSA-N 1 0 382.508 3.152 20 30 GGEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc(OC)c1OC ZINC000119929228 1413621243 /nfs/dbraw/zinc/62/12/43/1413621243.db2.gz LHONCELLJWTNPE-UHFFFAOYSA-N 1 0 384.476 3.420 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(OC)ccc2OC(F)F)CC1 ZINC000119954189 1413630841 /nfs/dbraw/zinc/63/08/41/1413630841.db2.gz NZIKCBOIJXNPSQ-UHFFFAOYSA-N 1 0 383.439 3.136 20 30 GGEDRO C[C@H]1C[C@H](N(C)C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000119967072 1413635059 /nfs/dbraw/zinc/63/50/59/1413635059.db2.gz PBEZRUSPGVMYIZ-GHTZIAJQSA-N 1 0 390.483 3.278 20 30 GGEDRO C=CCOc1cccc(C[NH+]2CCC(CC(=O)N3CCN(CC)CC3)CC2)c1 ZINC000119992187 1413645446 /nfs/dbraw/zinc/64/54/46/1413645446.db2.gz QGGGTOXUWSYBHB-UHFFFAOYSA-N 1 0 385.552 3.018 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000120040217 1413664568 /nfs/dbraw/zinc/66/45/68/1413664568.db2.gz YVJFMIRPNANPTR-UHFFFAOYSA-N 1 0 379.489 3.214 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000120064253 1413672965 /nfs/dbraw/zinc/67/29/65/1413672965.db2.gz GYXGUFCYKIHGHV-UHFFFAOYSA-N 1 0 397.401 3.199 20 30 GGEDRO C[N@H+](CCOc1cccc(CNC(=O)c2cc(C#N)cs2)c1)C1CCOCC1 ZINC000177461324 1428746038 /nfs/dbraw/zinc/74/60/38/1428746038.db2.gz DACBYWIHPZBEPN-UHFFFAOYSA-N 1 0 399.516 3.039 20 30 GGEDRO C#CCCOc1ccc(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000120104692 1413689516 /nfs/dbraw/zinc/68/95/16/1413689516.db2.gz IIQXZDLRIYDTOI-JOCHJYFZSA-N 1 0 377.488 3.151 20 30 GGEDRO C#CCCOc1ccc(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000120104831 1413689549 /nfs/dbraw/zinc/68/95/49/1413689549.db2.gz IIQXZDLRIYDTOI-QFIPXVFZSA-N 1 0 377.488 3.151 20 30 GGEDRO C#CCOc1cccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000120111230 1413691996 /nfs/dbraw/zinc/69/19/96/1413691996.db2.gz YANQHJBXJSVAIV-UHFFFAOYSA-N 1 0 385.508 3.055 20 30 GGEDRO Cc1noc(C)c1[C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000120113077 1413692512 /nfs/dbraw/zinc/69/25/12/1413692512.db2.gz MRYLCWCCPWKUFU-MRXNPFEDSA-N 1 0 395.507 3.184 20 30 GGEDRO N#CCCCOc1cccc(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c1 ZINC000120123957 1413696924 /nfs/dbraw/zinc/69/69/24/1413696924.db2.gz OXYWSYDSRDPBHF-QFIPXVFZSA-N 1 0 392.503 3.431 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000120139263 1413703424 /nfs/dbraw/zinc/70/34/24/1413703424.db2.gz JGCRZQMDDHIEBD-FUHWJXTLSA-N 1 0 386.496 3.170 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)Oc2ccccc2C(F)(F)F)CC1 ZINC000177464432 1428748708 /nfs/dbraw/zinc/74/87/08/1428748708.db2.gz IQDHVMBHUYNAKS-MRXNPFEDSA-N 1 0 382.426 3.324 20 30 GGEDRO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120238845 1413745930 /nfs/dbraw/zinc/74/59/30/1413745930.db2.gz DXJYGNYTIAVVEF-UHFFFAOYSA-N 1 0 399.539 3.367 20 30 GGEDRO CC[C@H](C)NC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(C)c1 ZINC000120248865 1413751585 /nfs/dbraw/zinc/75/15/85/1413751585.db2.gz MWSUGGKSYPZNEH-KRWDZBQOSA-N 1 0 387.528 3.223 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1)C(C)C ZINC000120271920 1413762285 /nfs/dbraw/zinc/76/22/85/1413762285.db2.gz MHHPWRRXAXECGN-HXUWFJFHSA-N 1 0 382.508 3.230 20 30 GGEDRO CN(C)c1ccc(C(N)=[NH+]OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000120377689 1413805339 /nfs/dbraw/zinc/80/53/39/1413805339.db2.gz NPOOYDVKXJFEDE-UHFFFAOYSA-N 1 0 394.447 3.343 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(F)c(C#N)c2)C(C)C)cc1 ZINC000120415584 1413812704 /nfs/dbraw/zinc/81/27/04/1413812704.db2.gz RYUUFZNFDUPVCI-HXUWFJFHSA-N 1 0 399.466 3.306 20 30 GGEDRO Cc1ccc(Cc2nnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s2)cc1 ZINC000120415895 1413812778 /nfs/dbraw/zinc/81/27/78/1413812778.db2.gz FHWHYQRSAABBOZ-UHFFFAOYSA-N 1 0 386.525 3.137 20 30 GGEDRO CC[NH+]1CCN(CCNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000120469322 1413824799 /nfs/dbraw/zinc/82/47/99/1413824799.db2.gz ZGCAWNHRVIKDFE-UHFFFAOYSA-N 1 0 394.544 3.077 20 30 GGEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1C1CCCC1 ZINC000120505747 1413832458 /nfs/dbraw/zinc/83/24/58/1413832458.db2.gz JMQCNIKLTGCAGP-UHFFFAOYSA-N 1 0 379.508 3.382 20 30 GGEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000120507666 1413832885 /nfs/dbraw/zinc/83/28/85/1413832885.db2.gz FEFYYIHRQPEHHH-UHFFFAOYSA-N 1 0 393.487 3.500 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)OCc2cc(Cl)c(OC(F)F)c(OC)c2)CC1 ZINC000120530339 1413837134 /nfs/dbraw/zinc/83/71/34/1413837134.db2.gz QZSFATWOOAIRQO-UHFFFAOYSA-N 1 0 387.810 3.338 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC000120542534 1413839809 /nfs/dbraw/zinc/83/98/09/1413839809.db2.gz CUVXCCQBIYIDGU-UHFFFAOYSA-N 1 0 392.463 3.445 20 30 GGEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000120572065 1413845939 /nfs/dbraw/zinc/84/59/39/1413845939.db2.gz QYGJXLPMSWCWFI-ACAXCVFMSA-N 1 0 384.524 3.230 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000120589156 1413849809 /nfs/dbraw/zinc/84/98/09/1413849809.db2.gz DFVWCJVIKPEZDR-UHFFFAOYSA-N 1 0 391.471 3.110 20 30 GGEDRO C[C@@H](C1CC1)N(C(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000177479524 1428760143 /nfs/dbraw/zinc/76/01/43/1428760143.db2.gz VBZRPAOYUYUVHH-KRWDZBQOSA-N 1 0 398.551 3.099 20 30 GGEDRO COc1cc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000120621171 1413857862 /nfs/dbraw/zinc/85/78/62/1413857862.db2.gz DCTSFTFMEAVWOM-UHFFFAOYSA-N 1 0 394.519 3.191 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)Nc2cccc(C)c2C#N)cc1 ZINC000120665933 1413869879 /nfs/dbraw/zinc/86/98/79/1413869879.db2.gz OBKDWIQUOMKNOV-UHFFFAOYSA-N 1 0 394.475 3.165 20 30 GGEDRO CCC(CC)(C[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(=O)OC ZINC000120681240 1413873474 /nfs/dbraw/zinc/87/34/74/1413873474.db2.gz UOBMTDVSNBLETM-UHFFFAOYSA-N 1 0 391.537 3.396 20 30 GGEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(OCC#N)c1 ZINC000120706825 1413880387 /nfs/dbraw/zinc/88/03/87/1413880387.db2.gz OSSHUTDXSOORPM-OAQYLSRUSA-N 1 0 377.488 3.112 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000120808559 1413909651 /nfs/dbraw/zinc/90/96/51/1413909651.db2.gz VISUTMFAMSACRM-GCJKJVERSA-N 1 0 377.488 3.158 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1C#N ZINC000120827857 1413917850 /nfs/dbraw/zinc/91/78/50/1413917850.db2.gz KXMPAVGKCKQKRG-UHFFFAOYSA-N 1 0 376.460 3.082 20 30 GGEDRO CC(C)OCC[NH+]1CCC(N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000177490149 1428765672 /nfs/dbraw/zinc/76/56/72/1428765672.db2.gz XUEMLKMMIRBZIW-OAHLLOKOSA-N 1 0 392.931 3.018 20 30 GGEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000120833017 1413919338 /nfs/dbraw/zinc/91/93/38/1413919338.db2.gz KCTFPYANEMFAAD-UHFFFAOYSA-N 1 0 396.878 3.427 20 30 GGEDRO CC(C)c1ncc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000120939973 1413954175 /nfs/dbraw/zinc/95/41/75/1413954175.db2.gz VDXFUXIPUSWFPZ-UHFFFAOYSA-N 1 0 385.899 3.329 20 30 GGEDRO Cc1ccc2c(c1)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CO2 ZINC000121026335 1413980738 /nfs/dbraw/zinc/98/07/38/1413980738.db2.gz YPZNSBOXYWGDIP-FQEVSTJZSA-N 1 0 378.476 3.074 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000121031303 1413982745 /nfs/dbraw/zinc/98/27/45/1413982745.db2.gz ODKYHTKDOKCHDN-HXUWFJFHSA-N 1 0 392.455 3.493 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000121090933 1414004041 /nfs/dbraw/zinc/00/40/41/1414004041.db2.gz OBTBXANKUDXSAL-IBGZPJMESA-N 1 0 390.487 3.248 20 30 GGEDRO CCc1nnc(NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)c(C#N)c1CC ZINC000121097049 1414006682 /nfs/dbraw/zinc/00/66/82/1414006682.db2.gz ZQMUMBUMIGEDPA-SFHVURJKSA-N 1 0 383.496 3.205 20 30 GGEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)ccc1F ZINC000177507579 1428774498 /nfs/dbraw/zinc/77/44/98/1428774498.db2.gz WGMVAUVAPDCZEP-UHFFFAOYSA-N 1 0 381.407 3.277 20 30 GGEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000121143282 1414022609 /nfs/dbraw/zinc/02/26/09/1414022609.db2.gz SUCMZTJJZJHSQL-UHFFFAOYSA-N 1 0 390.487 3.141 20 30 GGEDRO C[C@@H]1CN(Cc2ccccc2CNC(=O)c2c(F)cc(C#N)cc2F)C[C@@H](C)O1 ZINC000121151274 1414025769 /nfs/dbraw/zinc/02/57/69/1414025769.db2.gz MTVTWQQIUHSYKD-HUUCEWRRSA-N 1 0 399.441 3.376 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000121178671 1414035029 /nfs/dbraw/zinc/03/50/29/1414035029.db2.gz AEQBKNYQPBFNCR-QFIPXVFZSA-N 1 0 385.552 3.499 20 30 GGEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000121220590 1414047963 /nfs/dbraw/zinc/04/79/63/1414047963.db2.gz OLSSLJSWHAGUSN-IBGZPJMESA-N 1 0 385.508 3.019 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000121277668 1414068720 /nfs/dbraw/zinc/06/87/20/1414068720.db2.gz XALBARWGRDXMCJ-SFHVURJKSA-N 1 0 390.483 3.432 20 30 GGEDRO C[C@@H](C1CC1)N(C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1)C1CC1 ZINC000177504982 1428773449 /nfs/dbraw/zinc/77/34/49/1428773449.db2.gz GVKUCHVTGCPELC-INIZCTEOSA-N 1 0 384.524 3.103 20 30 GGEDRO CC(C)C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@@H](O)c1ccc(F)cc1 ZINC000121284760 1414071508 /nfs/dbraw/zinc/07/15/08/1414071508.db2.gz WOOSCFMSHZRPBY-QGZVFWFLSA-N 1 0 375.469 3.389 20 30 GGEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177505967 1428773702 /nfs/dbraw/zinc/77/37/02/1428773702.db2.gz RRRZNCHEMUBPJX-QRVBRYPASA-N 1 0 398.551 3.097 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000121316282 1414081306 /nfs/dbraw/zinc/08/13/06/1414081306.db2.gz XQLRAIPBJFCXDR-OALUTQOASA-N 1 0 385.508 3.207 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000121383511 1414102592 /nfs/dbraw/zinc/10/25/92/1414102592.db2.gz CCTATDDINSZIII-SFHVURJKSA-N 1 0 385.508 3.207 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121431218 1414119814 /nfs/dbraw/zinc/11/98/14/1414119814.db2.gz FLFOHBDAVSXFQV-SNVBAGLBSA-N 1 0 395.294 3.062 20 30 GGEDRO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121458461 1414133179 /nfs/dbraw/zinc/13/31/79/1414133179.db2.gz GPLVRRIRXSDBFQ-NSHDSACASA-N 1 0 385.859 3.193 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000121498444 1414151697 /nfs/dbraw/zinc/15/16/97/1414151697.db2.gz GNRDRRUHDSZTLZ-HXUWFJFHSA-N 1 0 388.475 3.108 20 30 GGEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)ccc1OC ZINC000121519734 1414160190 /nfs/dbraw/zinc/16/01/90/1414160190.db2.gz YRYYRSYTLGEJSO-OAHLLOKOSA-N 1 0 386.414 3.293 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000121550207 1414172502 /nfs/dbraw/zinc/17/25/02/1414172502.db2.gz NDFYJXKYWOYRLI-OAHLLOKOSA-N 1 0 384.432 3.003 20 30 GGEDRO C[C@@H](c1cn(-c2ccccc2)nn1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000121621386 1414203329 /nfs/dbraw/zinc/20/33/29/1414203329.db2.gz FCHNPVMCVXCPJU-IBGZPJMESA-N 1 0 386.503 3.408 20 30 GGEDRO C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000121625288 1414204611 /nfs/dbraw/zinc/20/46/11/1414204611.db2.gz BRVGUBWOCGKNSP-HSZRJFAPSA-N 1 0 393.531 3.089 20 30 GGEDRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000121633118 1414207409 /nfs/dbraw/zinc/20/74/09/1414207409.db2.gz NSTSTKYEZWMXKU-UHFFFAOYSA-N 1 0 381.451 3.234 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000121635747 1414207803 /nfs/dbraw/zinc/20/78/03/1414207803.db2.gz OQOAZQBABRKMDE-SFHVURJKSA-N 1 0 391.556 3.180 20 30 GGEDRO N#Cc1ccc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000121657183 1414214165 /nfs/dbraw/zinc/21/41/65/1414214165.db2.gz SKNZJEPKVILMIU-UHFFFAOYSA-N 1 0 384.379 3.020 20 30 GGEDRO CCC[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@@H+]1CCOC ZINC000121696463 1414226797 /nfs/dbraw/zinc/22/67/97/1414226797.db2.gz CVMBVHQWMHSWGA-IBGZPJMESA-N 1 0 396.535 3.170 20 30 GGEDRO COc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000121736519 1414241058 /nfs/dbraw/zinc/24/10/58/1414241058.db2.gz JETIQJOLLGDVQM-UHFFFAOYSA-N 1 0 396.466 3.123 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)c(C#N)c1C ZINC000121859809 1414281400 /nfs/dbraw/zinc/28/14/00/1414281400.db2.gz BQNFNZZUNXKFOB-FQEVSTJZSA-N 1 0 392.500 3.236 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000122068303 1414354481 /nfs/dbraw/zinc/35/44/81/1414354481.db2.gz DKFSBKRURFYLCD-UHFFFAOYSA-N 1 0 379.357 3.319 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000122119391 1414367426 /nfs/dbraw/zinc/36/74/26/1414367426.db2.gz XSVGWFMFMQYGLY-UHFFFAOYSA-N 1 0 384.505 3.048 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000122144545 1414373100 /nfs/dbraw/zinc/37/31/00/1414373100.db2.gz KCZLGFYIFOYZAD-UHFFFAOYSA-N 1 0 394.475 3.111 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000122162792 1414377093 /nfs/dbraw/zinc/37/70/93/1414377093.db2.gz NUCJWZLFTVUKMD-UHFFFAOYSA-N 1 0 394.475 3.111 20 30 GGEDRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1C#N ZINC000122258685 1414404037 /nfs/dbraw/zinc/40/40/37/1414404037.db2.gz DNYSSCVRPNNFCD-UHFFFAOYSA-N 1 0 399.539 3.026 20 30 GGEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)COc3ccc(C#N)cc3)c2)CC1 ZINC000122335251 1414427160 /nfs/dbraw/zinc/42/71/60/1414427160.db2.gz PKQQZQSTGWWRDN-UHFFFAOYSA-N 1 0 378.476 3.106 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)CC1 ZINC000122394334 1414445457 /nfs/dbraw/zinc/44/54/57/1414445457.db2.gz XVJQRZAJZMJKHG-UHFFFAOYSA-N 1 0 395.482 3.094 20 30 GGEDRO C=CCCOCCNC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000122440735 1414461416 /nfs/dbraw/zinc/46/14/16/1414461416.db2.gz LKNIYWQIDNOOQE-UHFFFAOYSA-N 1 0 380.920 3.196 20 30 GGEDRO CN(Cc1ccccc1F)C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000177613902 1428810956 /nfs/dbraw/zinc/81/09/56/1428810956.db2.gz PDKIHPFXROOVLE-UHFFFAOYSA-N 1 0 398.482 3.112 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000122500016 1414483010 /nfs/dbraw/zinc/48/30/10/1414483010.db2.gz OEKDVUZDGYBJHF-IRLDBZIGSA-N 1 0 395.528 3.233 20 30 GGEDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000177630638 1428816499 /nfs/dbraw/zinc/81/64/99/1428816499.db2.gz XFVZULXSCHEYFP-UHFFFAOYSA-N 1 0 389.443 3.118 20 30 GGEDRO COCCOc1cccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000122807312 1414570000 /nfs/dbraw/zinc/57/00/00/1414570000.db2.gz GUYLSSPVNDXTBQ-UHFFFAOYSA-N 1 0 379.504 3.291 20 30 GGEDRO COCCOc1ccccc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122830593 1414575865 /nfs/dbraw/zinc/57/58/65/1414575865.db2.gz DQOUBQDYKSACOV-UHFFFAOYSA-N 1 0 379.504 3.291 20 30 GGEDRO Cn1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(-c2ccncc2)n1 ZINC000122835336 1414576771 /nfs/dbraw/zinc/57/67/71/1414576771.db2.gz DHIPWCGJFKKKJP-UHFFFAOYSA-N 1 0 386.503 3.062 20 30 GGEDRO C=CCc1cc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000122877446 1414586889 /nfs/dbraw/zinc/58/68/89/1414586889.db2.gz HYLJDGTWJCTNQZ-MRXNPFEDSA-N 1 0 389.517 3.384 20 30 GGEDRO C=CCc1cc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000122877309 1414587090 /nfs/dbraw/zinc/58/70/90/1414587090.db2.gz HYLJDGTWJCTNQZ-INIZCTEOSA-N 1 0 389.517 3.384 20 30 GGEDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000177645015 1428821654 /nfs/dbraw/zinc/82/16/54/1428821654.db2.gz FNXFFJSEKOLYMX-UHFFFAOYSA-N 1 0 389.443 3.072 20 30 GGEDRO Cc1cc(C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)cc(C)c1OCC(F)(F)F ZINC000123060749 1414630829 /nfs/dbraw/zinc/63/08/29/1414630829.db2.gz WASTWHXWKARDJP-OAHLLOKOSA-N 1 0 385.430 3.437 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000123197061 1414665749 /nfs/dbraw/zinc/66/57/49/1414665749.db2.gz SJIPWKUVDJHSIT-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO NC(=[NH+]OCCc1c(F)cccc1Cl)c1ccc(N2CCC(O)CC2)cc1 ZINC000123318800 1414696076 /nfs/dbraw/zinc/69/60/76/1414696076.db2.gz RSYPTWAYNVTWCM-UHFFFAOYSA-N 1 0 391.874 3.320 20 30 GGEDRO CN1c2ccccc2N(C)C1=C1C(=N)N(CCCCCCC[NH+](C)C)CC1=O ZINC000123339307 1414700493 /nfs/dbraw/zinc/70/04/93/1414700493.db2.gz OGIKDHUZXGOODO-UHFFFAOYSA-N 1 0 383.540 3.158 20 30 GGEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)cc1OC ZINC000123395758 1414715021 /nfs/dbraw/zinc/71/50/21/1414715021.db2.gz VPTKOTCLSREKOV-UHFFFAOYSA-N 1 0 385.464 3.407 20 30 GGEDRO CCNS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2c(CC)cccc2CC)cc1 ZINC000123561477 1414774681 /nfs/dbraw/zinc/77/46/81/1414774681.db2.gz WMOOAGLXSQUHAQ-UHFFFAOYSA-N 1 0 388.537 3.036 20 30 GGEDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@@H]1C ZINC000123568896 1414777746 /nfs/dbraw/zinc/77/77/46/1414777746.db2.gz XZOCCWVJGHYZQH-KDURUIRLSA-N 1 0 392.503 3.054 20 30 GGEDRO N#Cc1csc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1 ZINC000177701771 1428837539 /nfs/dbraw/zinc/83/75/39/1428837539.db2.gz KWVNTIXNLXFXBV-OAHLLOKOSA-N 1 0 381.379 3.413 20 30 GGEDRO CN(CC(=O)[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCSC1 ZINC000123658842 1414805180 /nfs/dbraw/zinc/80/51/80/1414805180.db2.gz FVRIGGDLGKDERW-KGLIPLIRSA-N 1 0 386.304 3.078 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000123704624 1414812787 /nfs/dbraw/zinc/81/27/87/1414812787.db2.gz IGJAZSXEDVNAOS-HXUWFJFHSA-N 1 0 393.535 3.238 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1ccc(C#N)cc1 ZINC000123731850 1414817144 /nfs/dbraw/zinc/81/71/44/1414817144.db2.gz QDOWLWFROKEMDL-JOCHJYFZSA-N 1 0 376.504 3.399 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC000177711539 1428840051 /nfs/dbraw/zinc/84/00/51/1428840051.db2.gz CSMAWUBGXCUOKE-QFIPXVFZSA-N 1 0 394.471 3.001 20 30 GGEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000123941134 1414854477 /nfs/dbraw/zinc/85/44/77/1414854477.db2.gz WDHUXRHSAJRMKF-LJQANCHMSA-N 1 0 389.499 3.016 20 30 GGEDRO COc1ccc(C(F)(F)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000123951370 1414856084 /nfs/dbraw/zinc/85/60/84/1414856084.db2.gz ISCNNINLLLICNY-UHFFFAOYSA-N 1 0 387.430 3.249 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)ccc1Cl ZINC000124006185 1414867288 /nfs/dbraw/zinc/86/72/88/1414867288.db2.gz KGCYWRSCEKJCQJ-LJQANCHMSA-N 1 0 396.878 3.103 20 30 GGEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000124010252 1414868604 /nfs/dbraw/zinc/86/86/04/1414868604.db2.gz LVOCRXDHNNBVNO-KRWDZBQOSA-N 1 0 380.467 3.232 20 30 GGEDRO CC[C@@H]1CN(C(NCCc2nc(-c3ccc(Cl)cc3)no2)=[NH+]C)CCS1 ZINC000124139690 1414893445 /nfs/dbraw/zinc/89/34/45/1414893445.db2.gz JQRADULHQUROOY-OAHLLOKOSA-N 1 0 393.944 3.335 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000124150401 1414896168 /nfs/dbraw/zinc/89/61/68/1414896168.db2.gz VHFJTOFCMJIJFM-GOSISDBHSA-N 1 0 384.524 3.151 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)CCCn2ccnc2)c1C#N ZINC000124284349 1414929180 /nfs/dbraw/zinc/92/91/80/1414929180.db2.gz WHEWEYFWXDLHMP-UHFFFAOYSA-N 1 0 390.491 3.123 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1OC ZINC000124309455 1414935675 /nfs/dbraw/zinc/93/56/75/1414935675.db2.gz VCYQKRLVGDYZTL-FGZHOGPDSA-N 1 0 396.531 3.375 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1nccn1C(C)(C)C ZINC000124347543 1414945900 /nfs/dbraw/zinc/94/59/00/1414945900.db2.gz RVMIQDOQFYQXCK-UHFFFAOYSA-N 1 0 399.564 3.192 20 30 GGEDRO N#Cc1cccc(OCCC[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000124467208 1414975499 /nfs/dbraw/zinc/97/54/99/1414975499.db2.gz FBEZKAJDNDEVHB-UHFFFAOYSA-N 1 0 397.544 3.460 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CC1 ZINC000124542006 1414990698 /nfs/dbraw/zinc/99/06/98/1414990698.db2.gz MTZOCNYPPFPNSX-UHFFFAOYSA-N 1 0 398.507 3.221 20 30 GGEDRO CN(C(=O)c1ccc(C#N)c(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000124671052 1415018109 /nfs/dbraw/zinc/01/81/09/1415018109.db2.gz QAJQETXMSZZBIN-UHFFFAOYSA-N 1 0 382.895 3.386 20 30 GGEDRO COc1cc(CNC(=O)c2ccc(C#N)c(Cl)c2)ccc1OCC[NH+](C)C ZINC000124865716 1415062220 /nfs/dbraw/zinc/06/22/20/1415062220.db2.gz KJSYAGRHLUHIOJ-UHFFFAOYSA-N 1 0 387.867 3.091 20 30 GGEDRO [NH2+]=C(NCCOCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000124882575 1415066201 /nfs/dbraw/zinc/06/62/01/1415066201.db2.gz MNAXTUOPGIMUGP-UHFFFAOYSA-N 1 0 375.856 3.445 20 30 GGEDRO N#CCSc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000125160367 1415121308 /nfs/dbraw/zinc/12/13/08/1415121308.db2.gz DYHMZUSEXPEKHG-HXUWFJFHSA-N 1 0 395.528 3.189 20 30 GGEDRO COc1c(F)cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000125211407 1415131461 /nfs/dbraw/zinc/13/14/61/1415131461.db2.gz FLPKQWFPLAFNFI-UHFFFAOYSA-N 1 0 388.418 3.441 20 30 GGEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000125226651 1415134112 /nfs/dbraw/zinc/13/41/12/1415134112.db2.gz LQTONRBYVJRUOM-UHFFFAOYSA-N 1 0 381.476 3.049 20 30 GGEDRO N#CCc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000125286521 1415152793 /nfs/dbraw/zinc/15/27/93/1415152793.db2.gz HJSGIVCCXSWGSB-UHFFFAOYSA-N 1 0 377.492 3.086 20 30 GGEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000125293735 1415155801 /nfs/dbraw/zinc/15/58/01/1415155801.db2.gz NMGIOLKZCHVDOR-UFYCRDLUSA-N 1 0 398.551 3.339 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000125344791 1415170192 /nfs/dbraw/zinc/17/01/92/1415170192.db2.gz KJUXBDUUCKWGRQ-UHFFFAOYSA-N 1 0 386.525 3.303 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000125480693 1415211250 /nfs/dbraw/zinc/21/12/50/1415211250.db2.gz QEAXDYIRZSXNRC-UHFFFAOYSA-N 1 0 388.475 3.034 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1cccc(OCC#N)c1 ZINC000125648657 1415245906 /nfs/dbraw/zinc/24/59/06/1415245906.db2.gz OHAHPOJRQHJWIT-UHFFFAOYSA-N 1 0 387.430 3.000 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000125722964 1415262395 /nfs/dbraw/zinc/26/23/95/1415262395.db2.gz IJEDATCFHNZSNA-NRFANRHFSA-N 1 0 380.488 3.022 20 30 GGEDRO C[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000177899410 1428887100 /nfs/dbraw/zinc/88/71/00/1428887100.db2.gz BCIYWQJSYQEAGS-AWEZNQCLSA-N 1 0 399.445 3.471 20 30 GGEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000177906632 1428888311 /nfs/dbraw/zinc/88/83/11/1428888311.db2.gz HPKPIMUCZCLIKD-QGZVFWFLSA-N 1 0 379.570 3.018 20 30 GGEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000177906800 1428888867 /nfs/dbraw/zinc/88/88/67/1428888867.db2.gz HPKPIMUCZCLIKD-KRWDZBQOSA-N 1 0 379.570 3.018 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(OC(F)F)cc1 ZINC000125808294 1415286449 /nfs/dbraw/zinc/28/64/49/1415286449.db2.gz VORBOSWTWWDRLA-YOEHRIQHSA-N 1 0 376.403 3.445 20 30 GGEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000125827442 1415291432 /nfs/dbraw/zinc/29/14/32/1415291432.db2.gz JOVWZYGPCMMKKA-KXBFYZLASA-N 1 0 387.480 3.029 20 30 GGEDRO N#CCOc1cccc(CC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000125858527 1415298540 /nfs/dbraw/zinc/29/85/40/1415298540.db2.gz PVZYJMWITUUDQS-UHFFFAOYSA-N 1 0 391.515 3.299 20 30 GGEDRO COCc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000125944440 1415319047 /nfs/dbraw/zinc/31/90/47/1415319047.db2.gz DBIHJTFQTYAZPE-UHFFFAOYSA-N 1 0 392.503 3.122 20 30 GGEDRO C[NH+]=C(NCCc1nc(-c2ccc(Cl)cc2)no1)N1CCSC(C)(C)C1 ZINC000125997939 1415332737 /nfs/dbraw/zinc/33/27/37/1415332737.db2.gz YOZPDTYIZVGQGQ-UHFFFAOYSA-N 1 0 393.944 3.335 20 30 GGEDRO Cc1cccc(NCCNC(=O)c2occc2COc2cccc(C#N)c2)n1 ZINC000126112122 1415360823 /nfs/dbraw/zinc/36/08/23/1415360823.db2.gz UHMHKHMPIOREBH-UHFFFAOYSA-N 1 0 376.416 3.276 20 30 GGEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2sccc2C#N)CC1 ZINC000126439223 1415453643 /nfs/dbraw/zinc/45/36/43/1415453643.db2.gz TVOGNLZZTRINOA-AWEZNQCLSA-N 1 0 386.496 3.392 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000126522615 1415476650 /nfs/dbraw/zinc/47/66/50/1415476650.db2.gz PSXZLKNIWYLCEJ-JOCHJYFZSA-N 1 0 394.515 3.216 20 30 GGEDRO Cc1ccc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000126526408 1415477878 /nfs/dbraw/zinc/47/78/78/1415477878.db2.gz VVBAIZDESIPEOB-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000126612516 1415507218 /nfs/dbraw/zinc/50/72/18/1415507218.db2.gz YGPZLRLXKVNCCY-NRFANRHFSA-N 1 0 392.503 3.389 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)/C=C/c3ccc(Cl)nc3)CC2)cc1 ZINC000126635606 1415512737 /nfs/dbraw/zinc/51/27/37/1415512737.db2.gz KHWMJDOGUAKDCI-VQHVLOKHSA-N 1 0 380.879 3.354 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(O)c3)CC2)cc1Cl ZINC000126644578 1415515438 /nfs/dbraw/zinc/51/54/38/1415515438.db2.gz RBNVDHQITZITNE-UHFFFAOYSA-N 1 0 384.867 3.068 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000126750745 1415547671 /nfs/dbraw/zinc/54/76/71/1415547671.db2.gz HDONTAKCYMVAPU-QGZVFWFLSA-N 1 0 375.538 3.223 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NCc2ccon2)cc1 ZINC000178030752 1428945483 /nfs/dbraw/zinc/94/54/83/1428945483.db2.gz NZBALYMQOQDESX-UHFFFAOYSA-O 1 0 392.504 3.488 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000126874152 1415592101 /nfs/dbraw/zinc/59/21/01/1415592101.db2.gz IVKVNIUJPZSSHM-UHFFFAOYSA-N 1 0 379.504 3.360 20 30 GGEDRO Cc1nc(SCC(=O)NCc2cccc(C[NH+](C)C)c2)c(C#N)c(C)c1C ZINC000126888261 1415596261 /nfs/dbraw/zinc/59/62/61/1415596261.db2.gz HGGZYHFQEHYUEB-UHFFFAOYSA-N 1 0 382.533 3.349 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1cccc(OCC#N)c1 ZINC000127021525 1415641675 /nfs/dbraw/zinc/64/16/75/1415641675.db2.gz JKWYQLFWMPCPDM-IBGZPJMESA-N 1 0 392.503 3.395 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(C2N=NC(=S)O2)cc1)C(C)C ZINC000127063169 1415650775 /nfs/dbraw/zinc/65/07/75/1415650775.db2.gz LQGXLVPYBBSUNW-KRWDZBQOSA-N 1 0 386.521 3.454 20 30 GGEDRO Cc1ccc(CNC(=O)C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1F ZINC000127096749 1415659795 /nfs/dbraw/zinc/65/97/95/1415659795.db2.gz UXFLWARBANOUQF-JOCHJYFZSA-N 1 0 395.478 3.068 20 30 GGEDRO N#Cc1ccc([C@@H](O)CN2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000127136918 1415668328 /nfs/dbraw/zinc/66/83/28/1415668328.db2.gz KBYGLENRLOSVQY-KRWDZBQOSA-N 1 0 377.275 3.116 20 30 GGEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000127268346 1415709653 /nfs/dbraw/zinc/70/96/53/1415709653.db2.gz CXCCJWZVNMIINW-FQEVSTJZSA-N 1 0 383.879 3.093 20 30 GGEDRO C#CCCN1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000127286075 1415719122 /nfs/dbraw/zinc/71/91/22/1415719122.db2.gz KLMMEECTYVWCTL-CYBMUJFWSA-N 1 0 387.833 3.327 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178105899 1428983905 /nfs/dbraw/zinc/98/39/05/1428983905.db2.gz CGPGSDNWZAUXLS-OAHLLOKOSA-N 1 0 398.425 3.065 20 30 GGEDRO C[NH+](C)CC1CCN(c2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000127342050 1415744822 /nfs/dbraw/zinc/74/48/22/1415744822.db2.gz POYHTLQUWZTNTA-UHFFFAOYSA-N 1 0 398.532 3.137 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cc1cccc(OCC#N)c1 ZINC000127477354 1415795548 /nfs/dbraw/zinc/79/55/48/1415795548.db2.gz NGIAMLKYPAWNRY-RTBURBONSA-N 1 0 391.515 3.404 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000127528047 1415805231 /nfs/dbraw/zinc/80/52/31/1415805231.db2.gz LZCCTGSHSBSDPR-YDPBGYANSA-N 1 0 394.519 3.392 20 30 GGEDRO C#CC[N@@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC000127532192 1415805662 /nfs/dbraw/zinc/80/56/62/1415805662.db2.gz VNKPNJZIEPESOT-LJQANCHMSA-N 1 0 398.890 3.335 20 30 GGEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000127772036 1415847675 /nfs/dbraw/zinc/84/76/75/1415847675.db2.gz MTDFXAMSNPVMFP-GOSISDBHSA-N 1 0 379.460 3.288 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(Cc3ccccc3)nc2C)c1C#N ZINC000128121622 1415917370 /nfs/dbraw/zinc/91/73/70/1415917370.db2.gz TWKBGHDIQMNCAR-UHFFFAOYSA-N 1 0 394.504 3.041 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2cccc3ccccc32)c1C#N ZINC000128125756 1415918847 /nfs/dbraw/zinc/91/88/47/1415918847.db2.gz CASQTUSFXGGHLI-UHFFFAOYSA-N 1 0 391.475 3.384 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C2c3ccccc3Oc3ccccc32)c1C#N ZINC000128175282 1415931503 /nfs/dbraw/zinc/93/15/03/1415931503.db2.gz KGRFCDPNBNMQOT-UHFFFAOYSA-N 1 0 387.443 3.310 20 30 GGEDRO CC[C@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000128177074 1415932048 /nfs/dbraw/zinc/93/20/48/1415932048.db2.gz VROGYODPEURIKW-YWZLYKJASA-N 1 0 376.460 3.129 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c1C#N ZINC000128194623 1415935933 /nfs/dbraw/zinc/93/59/33/1415935933.db2.gz PUJCEHOQQGEBIX-UHFFFAOYSA-N 1 0 389.887 3.193 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)c1C#N ZINC000128197411 1415936624 /nfs/dbraw/zinc/93/66/24/1415936624.db2.gz VFKBDKBMIVBSNU-OAHLLOKOSA-N 1 0 383.496 3.271 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)c1C#N ZINC000128197843 1415936848 /nfs/dbraw/zinc/93/68/48/1415936848.db2.gz LWLNGARPILYCLX-CQSZACIVSA-N 1 0 383.496 3.137 20 30 GGEDRO Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000128225168 1415943857 /nfs/dbraw/zinc/94/38/57/1415943857.db2.gz ZSKPRXQSIFBMJO-MRXNPFEDSA-N 1 0 395.507 3.012 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)Cc2cccn2C)c1=S ZINC000128361088 1415970706 /nfs/dbraw/zinc/97/07/06/1415970706.db2.gz UTVGPUCPJYWVAP-UHFFFAOYSA-N 1 0 388.585 3.056 20 30 GGEDRO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1OC ZINC000128455148 1415991195 /nfs/dbraw/zinc/99/11/95/1415991195.db2.gz SZZBVMROGJCQMY-HNNXBMFYSA-N 1 0 388.489 3.090 20 30 GGEDRO Oc1ccc(Br)cc1/C=N/C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000128479634 1415996788 /nfs/dbraw/zinc/99/67/88/1415996788.db2.gz FGTAVAMEHNZQIK-SEUFLYEGSA-N 1 0 381.314 3.342 20 30 GGEDRO CC(C)C(N)=[NH+]OCc1coc(-c2ccc(I)cc2)n1 ZINC000128508711 1416002192 /nfs/dbraw/zinc/00/21/92/1416002192.db2.gz MPXAUBQWSGDIDO-UHFFFAOYSA-N 1 0 385.205 3.391 20 30 GGEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000128611126 1416025404 /nfs/dbraw/zinc/02/54/04/1416025404.db2.gz PBKVUVJFNHIBRD-UHFFFAOYSA-N 1 0 377.488 3.280 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(C#N)cc2F)CC1 ZINC000178343128 1429055772 /nfs/dbraw/zinc/05/57/72/1429055772.db2.gz UULWPOWFJZLBJN-UHFFFAOYSA-N 1 0 381.451 3.165 20 30 GGEDRO Cc1ccccc1NC(=[NH2+])NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000178299961 1429046346 /nfs/dbraw/zinc/04/63/46/1429046346.db2.gz WVCBGYYZCTURJS-HNNXBMFYSA-N 1 0 381.398 3.471 20 30 GGEDRO COc1cccc(NC(=[NH2+])NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000128889630 1416093836 /nfs/dbraw/zinc/09/38/36/1416093836.db2.gz NTSSBALCVUEDLO-CQSZACIVSA-N 1 0 397.397 3.172 20 30 GGEDRO Cc1ccc(NC(=[NH2+])NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000128892041 1416094329 /nfs/dbraw/zinc/09/43/29/1416094329.db2.gz WVSJDSMXJBJJMH-HNNXBMFYSA-N 1 0 381.398 3.471 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c(OC)c1 ZINC000128913588 1416100325 /nfs/dbraw/zinc/10/03/25/1416100325.db2.gz GCPFODXNBVEQKY-AQNXPRMDSA-N 1 0 385.508 3.133 20 30 GGEDRO C[C@@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000128948601 1416110585 /nfs/dbraw/zinc/11/05/85/1416110585.db2.gz FDRNYMGEGSQOQQ-LJQANCHMSA-N 1 0 377.488 3.254 20 30 GGEDRO C[C@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000128948792 1416111536 /nfs/dbraw/zinc/11/15/36/1416111536.db2.gz FDRNYMGEGSQOQQ-IBGZPJMESA-N 1 0 377.488 3.254 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccc(OC(C)C)cc1)[n+]1cccc(C)c1 ZINC000128963166 1416114555 /nfs/dbraw/zinc/11/45/55/1416114555.db2.gz NKGAJCQMHPERMX-UHFFFAOYSA-O 1 0 387.525 3.245 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccc(OC(C)C)cc1)[n+]1ccc(C)cc1 ZINC000128963900 1416114713 /nfs/dbraw/zinc/11/47/13/1416114713.db2.gz YCQJKVWIFAWQCO-UHFFFAOYSA-O 1 0 387.525 3.245 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000129063166 1416136170 /nfs/dbraw/zinc/13/61/70/1416136170.db2.gz SHYVVMGJPRJAQI-SFHVURJKSA-N 1 0 377.488 3.449 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccccc1 ZINC000178409535 1429072696 /nfs/dbraw/zinc/07/26/96/1429072696.db2.gz UMCCCOULUQZDPY-FQEVSTJZSA-N 1 0 378.476 3.005 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129368776 1416197765 /nfs/dbraw/zinc/19/77/65/1416197765.db2.gz QCTAKSBTELBYMQ-HBFSDRIKSA-N 1 0 395.507 3.110 20 30 GGEDRO C[C@]([NH2+]CCCOc1cccc(C#N)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000129497189 1416218865 /nfs/dbraw/zinc/21/88/65/1416218865.db2.gz ZKUCGKIZJYCXMU-LJQANCHMSA-N 1 0 391.393 3.336 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000129515571 1416221594 /nfs/dbraw/zinc/22/15/94/1416221594.db2.gz WAJDIJYGRPKAQG-IRFCIJBXSA-N 1 0 379.508 3.410 20 30 GGEDRO C=CCNc1ncc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000129676736 1416247001 /nfs/dbraw/zinc/24/70/01/1416247001.db2.gz RABDUFUIIAWDSY-HZPDHXFCSA-N 1 0 392.569 3.093 20 30 GGEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)cn1 ZINC000129770695 1416261391 /nfs/dbraw/zinc/26/13/91/1416261391.db2.gz ZJGIMSNPNREERC-LJQANCHMSA-N 1 0 386.459 3.158 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000129911718 1416283990 /nfs/dbraw/zinc/28/39/90/1416283990.db2.gz QTTYZZOWYVFMPT-QGZVFWFLSA-N 1 0 395.503 3.436 20 30 GGEDRO N#Cc1ccc(CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C2CC2)cc1 ZINC000178487158 1429088443 /nfs/dbraw/zinc/08/84/43/1429088443.db2.gz ARIYGHQIOQHWSI-FCHUYYIVSA-N 1 0 396.535 3.000 20 30 GGEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178500755 1429091883 /nfs/dbraw/zinc/09/18/83/1429091883.db2.gz FGEIMYTYXHAXIN-UHFFFAOYSA-N 1 0 389.908 3.286 20 30 GGEDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CC1 ZINC000130561178 1416398947 /nfs/dbraw/zinc/39/89/47/1416398947.db2.gz BZCHZMWOMSZGDA-UHFFFAOYSA-N 1 0 393.491 3.020 20 30 GGEDRO Cc1nccn1CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000130632282 1416414055 /nfs/dbraw/zinc/41/40/55/1416414055.db2.gz QHUXYTCSJYMVHX-UHFFFAOYSA-N 1 0 385.537 3.354 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(-c3ccc(OC)cc3)s2)CC1 ZINC000130643391 1416416158 /nfs/dbraw/zinc/41/61/58/1416416158.db2.gz RYUVUYWSUNZVQA-UHFFFAOYSA-N 1 0 387.509 3.376 20 30 GGEDRO Cc1noc(C)c1[C@@H](C)CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000130743992 1416440908 /nfs/dbraw/zinc/44/09/08/1416440908.db2.gz MLXYJWFVKWSTGA-ZDUSSCGKSA-N 1 0 375.904 3.185 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000178525810 1429096861 /nfs/dbraw/zinc/09/68/61/1429096861.db2.gz YSJFSZRBKBDKFK-IBGZPJMESA-N 1 0 387.524 3.409 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130779304 1416448119 /nfs/dbraw/zinc/44/81/19/1416448119.db2.gz IHPQHYDLJJKXDP-UHFFFAOYSA-N 1 0 387.465 3.026 20 30 GGEDRO Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1NC(=O)c1ccco1 ZINC000130805403 1416455188 /nfs/dbraw/zinc/45/51/88/1416455188.db2.gz FPHCCNGLJIGHPC-UHFFFAOYSA-N 1 0 382.464 3.148 20 30 GGEDRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000130862285 1416470203 /nfs/dbraw/zinc/47/02/03/1416470203.db2.gz WFUOAMUMTOITKM-MRXNPFEDSA-N 1 0 389.521 3.453 20 30 GGEDRO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000131044626 1416500614 /nfs/dbraw/zinc/50/06/14/1416500614.db2.gz IQQCKWFLPMXCII-LJQANCHMSA-N 1 0 385.533 3.379 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NCc2ccon2)c1 ZINC000131089964 1416507111 /nfs/dbraw/zinc/50/71/11/1416507111.db2.gz QZMNTOOFUAVRDK-UHFFFAOYSA-O 1 0 392.504 3.488 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/CC(=O)Nc2ccc(-n3cccn3)cc2)c(O)c1 ZINC000131219702 1416525163 /nfs/dbraw/zinc/52/51/63/1416525163.db2.gz CXQJRUYJFOZNSX-HZHRSRAPSA-N 1 0 391.475 3.482 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccccc1C)[n+]1ccc(N(C)C)cc1 ZINC000131241854 1416528818 /nfs/dbraw/zinc/52/88/18/1416528818.db2.gz JGLJBJCDVQZXFU-UHFFFAOYSA-O 1 0 388.582 3.240 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc(F)cc1)[n+]1ccc(N(C)C)cc1 ZINC000131251356 1416530151 /nfs/dbraw/zinc/53/01/51/1416530151.db2.gz YQOWEPLPSVFBFF-UHFFFAOYSA-O 1 0 392.545 3.071 20 30 GGEDRO CC(C)Oc1ccc(C(=O)C(C(=S)NCc2ccon2)[n+]2ccccc2)cc1 ZINC000131265748 1416532079 /nfs/dbraw/zinc/53/20/79/1416532079.db2.gz NTQPKWPFGYDIHR-UHFFFAOYSA-O 1 0 396.492 3.478 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000131294677 1416536162 /nfs/dbraw/zinc/53/61/62/1416536162.db2.gz YLQRCEFKWQUHBJ-UHFFFAOYSA-N 1 0 399.535 3.349 20 30 GGEDRO C=CCOc1cccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000131305360 1416537841 /nfs/dbraw/zinc/53/78/41/1416537841.db2.gz ODOFYPSVYBXXIK-WOJBJXKFSA-N 1 0 381.476 3.008 20 30 GGEDRO Cn1ccnc1C[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000131305904 1416537866 /nfs/dbraw/zinc/53/78/66/1416537866.db2.gz AZNSNGAYGAWRSX-KRWDZBQOSA-N 1 0 399.926 3.275 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1cccc(C)c1 ZINC000131338953 1416542443 /nfs/dbraw/zinc/54/24/43/1416542443.db2.gz NWFSKXLCPYSYHQ-UHFFFAOYSA-O 1 0 381.493 3.452 20 30 GGEDRO C=CCn1c(=S)n(CN2CC[C@@H](C[NH+]3CCCC3)C2)nc1-c1cccnc1 ZINC000131378816 1416547655 /nfs/dbraw/zinc/54/76/55/1416547655.db2.gz VRSMQXJVFCXNAL-KRWDZBQOSA-N 1 0 384.553 3.037 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000178563787 1429107624 /nfs/dbraw/zinc/10/76/24/1429107624.db2.gz BUMGSJUPHIDEJM-UHFFFAOYSA-N 1 0 377.492 3.201 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cccc(F)c2F)cc1 ZINC000131460751 1416561438 /nfs/dbraw/zinc/56/14/38/1416561438.db2.gz VNIIUSRTNPIXDQ-UHFFFAOYSA-O 1 0 387.435 3.345 20 30 GGEDRO CC(C)Oc1cc(C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000131656086 1416591633 /nfs/dbraw/zinc/59/16/33/1416591633.db2.gz SYNRIQIPSSLDSW-FQEVSTJZSA-N 1 0 381.476 3.145 20 30 GGEDRO CCC(CC)[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000131663067 1416592754 /nfs/dbraw/zinc/59/27/54/1416592754.db2.gz OFLCKDQETQHGSB-NHCUHLMSSA-N 1 0 386.540 3.468 20 30 GGEDRO CCC(CC)[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000131662867 1416592845 /nfs/dbraw/zinc/59/28/45/1416592845.db2.gz OFLCKDQETQHGSB-SFTDATJTSA-N 1 0 386.540 3.468 20 30 GGEDRO CCC(CC)[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000131662644 1416592859 /nfs/dbraw/zinc/59/28/59/1416592859.db2.gz OFLCKDQETQHGSB-LEWJYISDSA-N 1 0 386.540 3.468 20 30 GGEDRO CC(C)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000178593160 1429115543 /nfs/dbraw/zinc/11/55/43/1429115543.db2.gz SXBJGRBXFQIGLE-KRWDZBQOSA-N 1 0 384.524 3.229 20 30 GGEDRO C[NH+](C)CCOc1ccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000131958238 1416659565 /nfs/dbraw/zinc/65/95/65/1416659565.db2.gz VMHRQJCBXKSJFC-OAQYLSRUSA-N 1 0 380.492 3.471 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131964591 1416661300 /nfs/dbraw/zinc/66/13/00/1416661300.db2.gz YLCVAHWQJCVQES-ZWKOTPCHSA-N 1 0 392.565 3.169 20 30 GGEDRO C=CCNc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)s1 ZINC000132046458 1416682261 /nfs/dbraw/zinc/68/22/61/1416682261.db2.gz OTSZUUWAPUPVBF-UHFFFAOYSA-N 1 0 380.464 3.223 20 30 GGEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000132109308 1416698192 /nfs/dbraw/zinc/69/81/92/1416698192.db2.gz YTRPGVVKXVJIOH-QGZVFWFLSA-N 1 0 383.410 3.454 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2ccc(OC)c(OCC)c2)CC1 ZINC000132213951 1416718496 /nfs/dbraw/zinc/71/84/96/1416718496.db2.gz JWODPMMFPMHNLM-UHFFFAOYSA-N 1 0 389.540 3.366 20 30 GGEDRO C[C@H]1C[C@H](N(C)C(=O)COc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132226664 1416720229 /nfs/dbraw/zinc/72/02/29/1416720229.db2.gz SBGHXIZBCSMBHQ-GHTZIAJQSA-N 1 0 377.488 3.449 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3cc(F)cc(F)c3)CC2)cc1 ZINC000132225608 1416720333 /nfs/dbraw/zinc/72/03/33/1416720333.db2.gz PNQBRGKNCSOAFI-UHFFFAOYSA-N 1 0 398.457 3.296 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000132281818 1416728704 /nfs/dbraw/zinc/72/87/04/1416728704.db2.gz PEWWBCAFUGOPMJ-OPAMFIHVSA-N 1 0 395.528 3.300 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000132405639 1416753741 /nfs/dbraw/zinc/75/37/41/1416753741.db2.gz CMCDTCIWVDQJKV-KRWDZBQOSA-N 1 0 387.524 3.169 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000132415510 1416755549 /nfs/dbraw/zinc/75/55/49/1416755549.db2.gz JBJWKCCIDJRXNU-ZHRRBRCNSA-N 1 0 395.528 3.443 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000132415703 1416756568 /nfs/dbraw/zinc/75/65/68/1416756568.db2.gz JBJWKCCIDJRXNU-KSFYIVLOSA-N 1 0 395.528 3.443 20 30 GGEDRO C[C@@H]1C[C@H](N(C)C(=O)COc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000132421092 1416757013 /nfs/dbraw/zinc/75/70/13/1416757013.db2.gz IJFYGFCBNZHTFZ-WIYYLYMNSA-N 1 0 377.488 3.449 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N(CCC#N)CC3CC3)cc2)C1 ZINC000132605621 1416792464 /nfs/dbraw/zinc/79/24/64/1416792464.db2.gz XOVYJVJLIARNLE-KRWDZBQOSA-N 1 0 382.508 3.009 20 30 GGEDRO COC(=O)c1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000132608451 1416793132 /nfs/dbraw/zinc/79/31/32/1416793132.db2.gz CNQMOGSGMCGFNQ-UHFFFAOYSA-N 1 0 383.517 3.423 20 30 GGEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2cccc(OCC#N)c2)CC1 ZINC000132883266 1416826838 /nfs/dbraw/zinc/82/68/38/1416826838.db2.gz XHMMLYRTFVPTBF-KRWDZBQOSA-N 1 0 393.491 3.009 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000133065158 1416847870 /nfs/dbraw/zinc/84/78/70/1416847870.db2.gz GTMIVVVKDNHZBY-NRFANRHFSA-N 1 0 392.503 3.040 20 30 GGEDRO CC(C)Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(=O)[nH]1 ZINC000133168973 1416860100 /nfs/dbraw/zinc/86/01/00/1416860100.db2.gz WNCUEZFTNPRIAB-UHFFFAOYSA-N 1 0 380.492 3.061 20 30 GGEDRO C[C@@H](NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)C[NH+](C)C ZINC000133277138 1416873434 /nfs/dbraw/zinc/87/34/34/1416873434.db2.gz NJAYAJSEUSFOGE-LSDHHAIUSA-N 1 0 390.553 3.112 20 30 GGEDRO CCCOc1ccc(Cl)cc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000133339889 1416880490 /nfs/dbraw/zinc/88/04/90/1416880490.db2.gz UXKIBVKQQVETSD-UHFFFAOYSA-N 1 0 375.860 3.128 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c1C#N ZINC000133368556 1416882904 /nfs/dbraw/zinc/88/29/04/1416882904.db2.gz ZCPHOOKSEBIKEH-UONOGXRCSA-N 1 0 391.397 3.194 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c1C#N ZINC000133368354 1416882913 /nfs/dbraw/zinc/88/29/13/1416882913.db2.gz ZCPHOOKSEBIKEH-KGLIPLIRSA-N 1 0 391.397 3.194 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)c1C#N ZINC000133368802 1416882947 /nfs/dbraw/zinc/88/29/47/1416882947.db2.gz ZCPHOOKSEBIKEH-KBPBESRZSA-N 1 0 391.397 3.194 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)c1C#N ZINC000133378666 1416883939 /nfs/dbraw/zinc/88/39/39/1416883939.db2.gz PPIOVRZGPMEZCA-UHFFFAOYSA-N 1 0 394.504 3.047 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c1C#N ZINC000133414818 1416887466 /nfs/dbraw/zinc/88/74/66/1416887466.db2.gz DUEUWHKLDDYILA-AWEZNQCLSA-N 1 0 379.386 3.108 20 30 GGEDRO CC(C)Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(=O)[nH]1 ZINC000133501344 1416895813 /nfs/dbraw/zinc/89/58/13/1416895813.db2.gz HWXSCOGVMNNTNX-UHFFFAOYSA-N 1 0 380.492 3.061 20 30 GGEDRO CNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000133501368 1416896045 /nfs/dbraw/zinc/89/60/45/1416896045.db2.gz YCZMKPGRTVXDJY-UHFFFAOYSA-O 1 0 385.509 3.216 20 30 GGEDRO CCCNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(CC)cc1 ZINC000133543136 1416899953 /nfs/dbraw/zinc/89/99/53/1416899953.db2.gz ZSESGWPOIVSKCL-UHFFFAOYSA-O 1 0 385.509 3.262 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1C#N ZINC000133542763 1416900000 /nfs/dbraw/zinc/90/00/00/1416900000.db2.gz BGDYHNPCHOJCDN-STQMWFEESA-N 1 0 391.397 3.194 20 30 GGEDRO COC(=O)c1cccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(C)c2)c1 ZINC000133573863 1416908505 /nfs/dbraw/zinc/90/85/05/1416908505.db2.gz YDBMLXQGALYKFR-UHFFFAOYSA-O 1 0 385.509 3.396 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1C#N ZINC000133590650 1416913247 /nfs/dbraw/zinc/91/32/47/1416913247.db2.gz FCJZLUPKIUJQGK-KGLIPLIRSA-N 1 0 392.290 3.482 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(F)c1 ZINC000133607262 1416917748 /nfs/dbraw/zinc/91/77/48/1416917748.db2.gz ZFWBVYMKPUMKCW-HXUWFJFHSA-N 1 0 396.466 3.225 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1C#N ZINC000133627519 1416924999 /nfs/dbraw/zinc/92/49/99/1416924999.db2.gz GNMJQNFGTWDCEE-HNNXBMFYSA-N 1 0 383.496 3.271 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCCc2nc3ccccc3s2)c1C#N ZINC000133635576 1416927424 /nfs/dbraw/zinc/92/74/24/1416927424.db2.gz LLJLEFPDGQKSFQ-UHFFFAOYSA-N 1 0 396.520 3.395 20 30 GGEDRO COC(=O)c1cccc(C(=O)C(C(=S)NCC2CCC2)[n+]2cccc(C)c2)c1 ZINC000133640129 1416927920 /nfs/dbraw/zinc/92/79/20/1416927920.db2.gz JXRQAAKKLIODKB-UHFFFAOYSA-O 1 0 397.520 3.398 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](SCc2ccccc2)C(C)C)c1C#N ZINC000133677082 1416938276 /nfs/dbraw/zinc/93/82/76/1416938276.db2.gz JZKVKCVQRCMMEL-SFHVURJKSA-N 1 0 385.537 3.330 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133792529 1416964132 /nfs/dbraw/zinc/96/41/32/1416964132.db2.gz DHZPEWQJUSDRET-IRXDYDNUSA-N 1 0 386.517 3.361 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(-c3ccc(C)cc3C)n2)c1C#N ZINC000133793332 1416964523 /nfs/dbraw/zinc/96/45/23/1416964523.db2.gz REGZIMWWHNCDFM-UHFFFAOYSA-N 1 0 394.504 3.426 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(OC3CCCCC3)c2)c1C#N ZINC000133801334 1416965853 /nfs/dbraw/zinc/96/58/53/1416965853.db2.gz VWDBTGPKQRVHCO-UHFFFAOYSA-N 1 0 381.480 3.397 20 30 GGEDRO CCCOc1nc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc2ccccc21 ZINC000133799367 1416966105 /nfs/dbraw/zinc/96/61/05/1416966105.db2.gz PCYHAHVOTKZYLW-UHFFFAOYSA-N 1 0 392.463 3.023 20 30 GGEDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000133806242 1416967341 /nfs/dbraw/zinc/96/73/41/1416967341.db2.gz ASGLVMZITICVJS-UHFFFAOYSA-N 1 0 377.916 3.422 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(CCC(F)(F)F)cc2)c1C#N ZINC000133812026 1416968014 /nfs/dbraw/zinc/96/80/14/1416968014.db2.gz YNKGGKBEUAWWKX-UHFFFAOYSA-N 1 0 379.386 3.181 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCc3ccccc3[C@@H]2CO)sc2c1CCCC2 ZINC000133880649 1416987051 /nfs/dbraw/zinc/98/70/51/1416987051.db2.gz PDYQYLJYGWNGDW-IBGZPJMESA-N 1 0 395.528 3.419 20 30 GGEDRO Cc1cccc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000133912564 1416993879 /nfs/dbraw/zinc/99/38/79/1416993879.db2.gz VZVJZLQTMWYQFK-IBGZPJMESA-N 1 0 383.517 3.009 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000134022303 1417010928 /nfs/dbraw/zinc/01/09/28/1417010928.db2.gz GKVZYDFICWVBJJ-IBGZPJMESA-N 1 0 384.524 3.089 20 30 GGEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000134171852 1417032960 /nfs/dbraw/zinc/03/29/60/1417032960.db2.gz BBYHMXGXUWQARA-DEOSSOPVSA-N 1 0 391.515 3.085 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000134175376 1417033341 /nfs/dbraw/zinc/03/33/41/1417033341.db2.gz UHUKDHIBNWKFSI-MRXNPFEDSA-N 1 0 383.496 3.180 20 30 GGEDRO N#Cc1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1Cl ZINC000134178982 1417034357 /nfs/dbraw/zinc/03/43/57/1417034357.db2.gz DRKWPIRCUANVAQ-UHFFFAOYSA-N 1 0 375.900 3.176 20 30 GGEDRO C=CCNC(=O)NC(=O)CN(C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134212468 1417038290 /nfs/dbraw/zinc/03/82/90/1417038290.db2.gz FUJYRWPBJDNTKG-HNNXBMFYSA-N 1 0 386.521 3.432 20 30 GGEDRO O=C(c1ccc(F)cc1F)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134213592 1417038319 /nfs/dbraw/zinc/03/83/19/1417038319.db2.gz SAYHWORXYCVMQA-OAHLLOKOSA-O 1 0 391.463 3.350 20 30 GGEDRO C=CCNC(=O)NC(=O)CN(C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134212358 1417038454 /nfs/dbraw/zinc/03/84/54/1417038454.db2.gz FUJYRWPBJDNTKG-OAHLLOKOSA-N 1 0 386.521 3.432 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134218404 1417039197 /nfs/dbraw/zinc/03/91/97/1417039197.db2.gz XGTCDTUOMYIVKV-QGZVFWFLSA-O 1 0 399.536 3.389 20 30 GGEDRO COC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCC1 ZINC000134246810 1417043732 /nfs/dbraw/zinc/04/37/32/1417043732.db2.gz WUVGMZOOLSKNNI-UHFFFAOYSA-N 1 0 389.521 3.245 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000134320458 1417054823 /nfs/dbraw/zinc/05/48/23/1417054823.db2.gz FRYQGKYQJUAPEE-NRFANRHFSA-N 1 0 380.488 3.105 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1C#N ZINC000134382225 1417062610 /nfs/dbraw/zinc/06/26/10/1417062610.db2.gz KNSVFKKTNOSERJ-FQEVSTJZSA-N 1 0 396.535 3.302 20 30 GGEDRO COc1ccc(C[C@@H](C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1OC ZINC000134547336 1417085379 /nfs/dbraw/zinc/08/53/79/1417085379.db2.gz PLLQHMRZZGKPMP-CRAIPNDOSA-N 1 0 383.492 3.311 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000134622203 1417099013 /nfs/dbraw/zinc/09/90/13/1417099013.db2.gz DDUKORQGEIITTA-WBVHZDCISA-N 1 0 386.496 3.264 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000134650864 1417104882 /nfs/dbraw/zinc/10/48/82/1417104882.db2.gz ANDVBSMKMLJANK-YJBOKZPZSA-N 1 0 386.496 3.264 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CCC2 ZINC000134888655 1417139930 /nfs/dbraw/zinc/13/99/30/1417139930.db2.gz WRWZQRJGXUHLQN-BEFAXECRSA-N 1 0 398.576 3.386 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1C#N ZINC000135174002 1417181197 /nfs/dbraw/zinc/18/11/97/1417181197.db2.gz QVSYHTOSDJHZMP-UHFFFAOYSA-N 1 0 381.451 3.234 20 30 GGEDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CC1 ZINC000135211150 1417188885 /nfs/dbraw/zinc/18/88/85/1417188885.db2.gz FNSNEHHRYZQMNR-UHFFFAOYSA-N 1 0 396.579 3.254 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135277878 1417201101 /nfs/dbraw/zinc/20/11/01/1417201101.db2.gz JGTNRYJUMXYXOS-UHFFFAOYSA-N 1 0 388.418 3.463 20 30 GGEDRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135276111 1417201152 /nfs/dbraw/zinc/20/11/52/1417201152.db2.gz OIEYETXRMBYUOM-QGZVFWFLSA-N 1 0 397.523 3.286 20 30 GGEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(F)cc2OCC#N)[NH+](C)C)c1 ZINC000135299004 1417204833 /nfs/dbraw/zinc/20/48/33/1417204833.db2.gz KPZCBLIEESJZRP-SFHVURJKSA-N 1 0 386.427 3.161 20 30 GGEDRO C[N@H+](CCC1CC1)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000135312102 1417206379 /nfs/dbraw/zinc/20/63/79/1417206379.db2.gz BQGMBXKVTOOIBG-QGZVFWFLSA-N 1 0 384.524 3.088 20 30 GGEDRO N#CCOc1cc(F)ccc1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000135322182 1417207152 /nfs/dbraw/zinc/20/71/52/1417207152.db2.gz SIOFSOHGLOOUKS-UHFFFAOYSA-N 1 0 382.439 3.298 20 30 GGEDRO COc1cccc(OCCN2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)c1 ZINC000178781041 1429168458 /nfs/dbraw/zinc/16/84/58/1429168458.db2.gz PGUXFWJMZNESCO-UHFFFAOYSA-N 1 0 395.503 3.032 20 30 GGEDRO N#CCOc1ccc(/C=C/C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000135612614 1417246708 /nfs/dbraw/zinc/24/67/08/1417246708.db2.gz DTAXWLPPCSNSBG-JXMROGBWSA-N 1 0 391.471 3.198 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000135820196 1417270474 /nfs/dbraw/zinc/27/04/74/1417270474.db2.gz WXSLMNODJMLCLY-UHFFFAOYSA-N 1 0 390.483 3.137 20 30 GGEDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N2CCOCC2)o1 ZINC000135945515 1417280457 /nfs/dbraw/zinc/28/04/57/1417280457.db2.gz SYIHJSMNTUFDQC-OAQYLSRUSA-N 1 0 382.508 3.101 20 30 GGEDRO C=CCNc1ncc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)s1 ZINC000136048091 1417288387 /nfs/dbraw/zinc/28/83/87/1417288387.db2.gz RLJVUUGWEYHPLS-QGZVFWFLSA-N 1 0 386.521 3.317 20 30 GGEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000136115188 1417292868 /nfs/dbraw/zinc/29/28/68/1417292868.db2.gz YOGXEZWRQQQNKP-UHFFFAOYSA-N 1 0 397.450 3.066 20 30 GGEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CN(Cc2ccccc2)C1 ZINC000136389972 1417313527 /nfs/dbraw/zinc/31/35/27/1417313527.db2.gz DFVPIILYIQKYIR-XXBNENTESA-N 1 0 389.547 3.422 20 30 GGEDRO C[N@@H+]1CC[C@H](CNC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136473760 1417320072 /nfs/dbraw/zinc/32/00/72/1417320072.db2.gz MZPOSDFTDKSBSH-QAPCUYQASA-N 1 0 378.879 3.417 20 30 GGEDRO O=C(c1ccc(F)c(Cl)c1)C(C(=S)NC[C@H]1CCOC1)[n+]1ccccc1 ZINC000136509037 1417322390 /nfs/dbraw/zinc/32/23/90/1417322390.db2.gz MHUYBLNTDNSJKY-CYBMUJFWSA-O 1 0 393.891 3.332 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(C)cc2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136511251 1417322445 /nfs/dbraw/zinc/32/24/45/1417322445.db2.gz MFBSZRAPGQNJBH-GOSISDBHSA-O 1 0 383.537 3.410 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136520760 1417323452 /nfs/dbraw/zinc/32/34/52/1417323452.db2.gz RAMHWDDUIPXMJY-INIZCTEOSA-O 1 0 387.500 3.241 20 30 GGEDRO O=C(c1ccccc1)C(C(=S)NC[C@@H]1CCOC1)[n+]1ccc2c(c1)CCCC2 ZINC000136523383 1417323615 /nfs/dbraw/zinc/32/36/15/1417323615.db2.gz IIPIUYSXIJODLH-KRWDZBQOSA-O 1 0 395.548 3.418 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccccc2OC)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136537282 1417324315 /nfs/dbraw/zinc/32/43/15/1417324315.db2.gz JWWMJRKYSPRREY-QGZVFWFLSA-O 1 0 399.536 3.110 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136543888 1417325017 /nfs/dbraw/zinc/32/50/17/1417325017.db2.gz JYPYSYLHMKAXGU-INIZCTEOSA-O 1 0 389.566 3.471 20 30 GGEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000178805363 1429175708 /nfs/dbraw/zinc/17/57/08/1429175708.db2.gz RDOHUHFIDOLZQA-KRWDZBQOSA-N 1 0 393.491 3.009 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000136656367 1417336145 /nfs/dbraw/zinc/33/61/45/1417336145.db2.gz CPRRRQUYHYNSPG-AEFFLSMTSA-N 1 0 379.426 3.183 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCc1cccc(COCC(F)(F)F)c1 ZINC000136899129 1417353463 /nfs/dbraw/zinc/35/34/63/1417353463.db2.gz CXLHQVGSSMJNOB-UHFFFAOYSA-N 1 0 381.398 3.379 20 30 GGEDRO Cc1nc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000178812813 1429178147 /nfs/dbraw/zinc/17/81/47/1429178147.db2.gz QUKKAVTUPQDXBR-LJQANCHMSA-N 1 0 386.459 3.158 20 30 GGEDRO CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000137007162 1417362491 /nfs/dbraw/zinc/36/24/91/1417362491.db2.gz OSRUMGICNVKJPY-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000137461242 1417387024 /nfs/dbraw/zinc/38/70/24/1417387024.db2.gz UCIKRUUHBCNAFZ-MJGOQNOKSA-N 1 0 381.561 3.031 20 30 GGEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000137478816 1417387836 /nfs/dbraw/zinc/38/78/36/1417387836.db2.gz AGASJJWANKZQRV-UHFFFAOYSA-N 1 0 394.496 3.263 20 30 GGEDRO NC(Cc1cccnc1)=NOCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000137643023 1417391862 /nfs/dbraw/zinc/39/18/62/1417391862.db2.gz GPYCSBXTGQEXFU-UHFFFAOYSA-N 1 0 390.443 3.131 20 30 GGEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)COc1cccc(C#N)c1 ZINC000138918851 1417441615 /nfs/dbraw/zinc/44/16/15/1417441615.db2.gz ZCVXARVKOJPMIU-UHFFFAOYSA-N 1 0 381.501 3.433 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139869165 1417477649 /nfs/dbraw/zinc/47/76/49/1417477649.db2.gz UJNZOQLNIIONPO-ZHALLVOQSA-N 1 0 386.565 3.435 20 30 GGEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000141583508 1417545007 /nfs/dbraw/zinc/54/50/07/1417545007.db2.gz DZBPQQJRWGIWBE-OAQYLSRUSA-N 1 0 375.472 3.448 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000142521410 1417590660 /nfs/dbraw/zinc/59/06/60/1417590660.db2.gz FPONBGLDBYRMMK-HXUWFJFHSA-N 1 0 387.524 3.063 20 30 GGEDRO C[C@H](C#N)CN(C)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000143178620 1417617278 /nfs/dbraw/zinc/61/72/78/1417617278.db2.gz DJBQTCXKGFAIMN-HXUWFJFHSA-N 1 0 390.531 3.012 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000144766034 1417671133 /nfs/dbraw/zinc/67/11/33/1417671133.db2.gz YDBWONRWQYMRRI-IBGZPJMESA-N 1 0 398.532 3.418 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000145957954 1417706196 /nfs/dbraw/zinc/70/61/96/1417706196.db2.gz SZLAVLZJHHPWLZ-IAGOWNOFSA-N 1 0 387.524 3.063 20 30 GGEDRO CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178877569 1429208383 /nfs/dbraw/zinc/20/83/83/1429208383.db2.gz UEZRLEAXMMPAOW-DGXQFHRRSA-N 1 0 394.563 3.367 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750153 1417798248 /nfs/dbraw/zinc/79/82/48/1417798248.db2.gz HJBHKUNXOZAFQK-QZTJIDSGSA-N 1 0 386.565 3.437 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccccc1OCC#N ZINC000150929617 1417837874 /nfs/dbraw/zinc/83/78/74/1417837874.db2.gz JQMQEGPFQVMHMI-ROUUACIJSA-N 1 0 377.488 3.475 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000150975360 1417847149 /nfs/dbraw/zinc/84/71/49/1417847149.db2.gz BCVHHYLUXNOQSR-QRQCMCJISA-N 1 0 391.515 3.404 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000150985782 1417849520 /nfs/dbraw/zinc/84/95/20/1417849520.db2.gz RJFQAZVVPVCXGV-MRXNPFEDSA-N 1 0 376.460 3.481 20 30 GGEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000151024988 1417857820 /nfs/dbraw/zinc/85/78/20/1417857820.db2.gz ALXMQVQIRPSRPI-UHFFFAOYSA-N 1 0 395.525 3.292 20 30 GGEDRO COc1ccc([C@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+]2CCCC2)cc1 ZINC000151029736 1417858459 /nfs/dbraw/zinc/85/84/59/1417858459.db2.gz OFLAWRNJYHURSF-IBGZPJMESA-N 1 0 385.414 3.412 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000151061484 1417864813 /nfs/dbraw/zinc/86/48/13/1417864813.db2.gz RKUSDEIDITVZLD-PMACEKPBSA-N 1 0 392.503 3.077 20 30 GGEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000151080824 1417868673 /nfs/dbraw/zinc/86/86/73/1417868673.db2.gz VQOCDOZTBIWAOV-UHFFFAOYSA-N 1 0 375.469 3.018 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000151136476 1417879589 /nfs/dbraw/zinc/87/95/89/1417879589.db2.gz LLVGHQCTQDGUBN-QGZVFWFLSA-N 1 0 395.532 3.237 20 30 GGEDRO C#CCCCCNC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000151178468 1417888844 /nfs/dbraw/zinc/88/88/44/1417888844.db2.gz RWCPRROEZUCFKH-UHFFFAOYSA-N 1 0 396.457 3.060 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)CCO1 ZINC000178920979 1429220456 /nfs/dbraw/zinc/22/04/56/1429220456.db2.gz MSTLKODLEUFNQR-MRXNPFEDSA-N 1 0 382.426 3.122 20 30 GGEDRO N#CCC[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000151295535 1417918043 /nfs/dbraw/zinc/91/80/43/1417918043.db2.gz AQSMBLNKSKCDMT-NJYVYQBISA-N 1 0 384.524 3.099 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CCC(F)(F)F)c2)CC1 ZINC000151467810 1417985556 /nfs/dbraw/zinc/98/55/56/1417985556.db2.gz ZCHFUQZWCROSPR-UHFFFAOYSA-N 1 0 397.441 3.277 20 30 GGEDRO Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000151471208 1417987283 /nfs/dbraw/zinc/98/72/83/1417987283.db2.gz VYNZVVZPODKEMZ-INIZCTEOSA-N 1 0 379.508 3.371 20 30 GGEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cn1ccc(=S)c2ccccc21 ZINC000151469390 1417987454 /nfs/dbraw/zinc/98/74/54/1417987454.db2.gz CPHGGDFPTMMINF-OAHLLOKOSA-N 1 0 376.489 3.201 20 30 GGEDRO Cc1noc(C)c1[C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000151559245 1418024413 /nfs/dbraw/zinc/02/44/13/1418024413.db2.gz POPWVNPUOCQIOM-HNNXBMFYSA-N 1 0 383.496 3.040 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)CNc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000151570171 1418028225 /nfs/dbraw/zinc/02/82/25/1418028225.db2.gz QQFGQTDIXUOFAG-NRFANRHFSA-N 1 0 380.492 3.178 20 30 GGEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2cccc(F)c2C#N)CC1 ZINC000178995097 1429236948 /nfs/dbraw/zinc/23/69/48/1429236948.db2.gz PJSHDPJJWLPOHK-UHFFFAOYSA-N 1 0 381.451 3.119 20 30 GGEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000152050442 1418130151 /nfs/dbraw/zinc/13/01/51/1418130151.db2.gz DSUDDRQDWGQOLI-KRWDZBQOSA-N 1 0 377.492 3.320 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000179062070 1429252303 /nfs/dbraw/zinc/25/23/03/1429252303.db2.gz HRLYCGDCGDREPT-OAQYLSRUSA-N 1 0 376.504 3.175 20 30 GGEDRO COc1ccc(C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000179174465 1429285854 /nfs/dbraw/zinc/28/58/54/1429285854.db2.gz SASMUJTVRBXYTF-GOSISDBHSA-N 1 0 379.504 3.336 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000179197448 1429292200 /nfs/dbraw/zinc/29/22/00/1429292200.db2.gz WBZASMSKUODCLU-MRXNPFEDSA-N 1 0 397.306 3.158 20 30 GGEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(OCC#N)cc1 ZINC000179271336 1429310092 /nfs/dbraw/zinc/31/00/92/1429310092.db2.gz MPALXTITVGRSDS-UHFFFAOYSA-N 1 0 380.492 3.299 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000179340724 1429335533 /nfs/dbraw/zinc/33/55/33/1429335533.db2.gz BGYFWAQRTKQADJ-HNNXBMFYSA-N 1 0 380.895 3.007 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000179550809 1429425690 /nfs/dbraw/zinc/42/56/90/1429425690.db2.gz SKDDROJBBWEOLB-UHFFFAOYSA-N 1 0 392.503 3.389 20 30 GGEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179653449 1429490883 /nfs/dbraw/zinc/49/08/83/1429490883.db2.gz KFRRQUZMBAAKQW-HNNXBMFYSA-N 1 0 379.460 3.075 20 30 GGEDRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000179671270 1429500106 /nfs/dbraw/zinc/50/01/06/1429500106.db2.gz IGMVGKWGLUHBNN-AZUAARDMSA-N 1 0 396.560 3.425 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(OCc2ccccn2)c1 ZINC000179686451 1429506712 /nfs/dbraw/zinc/50/67/12/1429506712.db2.gz DMDFXWLLBYDUOF-KSFYIVLOSA-N 1 0 378.476 3.120 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179688130 1429507433 /nfs/dbraw/zinc/50/74/33/1429507433.db2.gz CWTGMJJTLOBNBQ-HTAPYJJXSA-N 1 0 380.492 3.366 20 30 GGEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000179698158 1429511634 /nfs/dbraw/zinc/51/16/34/1429511634.db2.gz NPSBRARTOHPWHS-UGKGYDQZSA-N 1 0 394.544 3.198 20 30 GGEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000179727254 1429524953 /nfs/dbraw/zinc/52/49/53/1429524953.db2.gz COXYWJYBKIHLSB-IBGZPJMESA-N 1 0 381.476 3.275 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000152325579 1422073262 /nfs/dbraw/zinc/07/32/62/1422073262.db2.gz SMWYWTZPGXKUII-UHFFFAOYSA-N 1 0 392.459 3.134 20 30 GGEDRO C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H]([NH+](C)C)C2)c1=S ZINC000152327561 1422073948 /nfs/dbraw/zinc/07/39/48/1422073948.db2.gz KUZBNJIWLIBDOC-HNNXBMFYSA-N 1 0 375.517 3.390 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC3(O)CCCC3)sc2C1 ZINC000152425198 1422099981 /nfs/dbraw/zinc/09/99/81/1422099981.db2.gz VGTYCJDDFCGZMD-CQSZACIVSA-N 1 0 375.538 3.310 20 30 GGEDRO C=CCc1cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000179738248 1429530614 /nfs/dbraw/zinc/53/06/14/1429530614.db2.gz QJMPPTINIVGDCK-OAHLLOKOSA-N 1 0 376.497 3.476 20 30 GGEDRO C[C@H](O)C[C@H]1CCCN1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000152576098 1422149506 /nfs/dbraw/zinc/14/95/06/1422149506.db2.gz IJKNRQIOKGFUKW-SOUVJXGZSA-N 1 0 375.538 3.451 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(C#N)c1C ZINC000179750279 1429537467 /nfs/dbraw/zinc/53/74/67/1429537467.db2.gz OKHJLXBPSUGMHW-FQEVSTJZSA-N 1 0 381.432 3.219 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)c(C)n1 ZINC000179754173 1429540332 /nfs/dbraw/zinc/54/03/32/1429540332.db2.gz CIYSWBGSLDQDQS-IBGZPJMESA-N 1 0 378.476 3.094 20 30 GGEDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000152742159 1422233426 /nfs/dbraw/zinc/23/34/26/1422233426.db2.gz KBXJKUHKLNANBX-SFHVURJKSA-N 1 0 385.533 3.297 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000179754334 1429540628 /nfs/dbraw/zinc/54/06/28/1429540628.db2.gz QHKMYMZNCYXRED-HXUWFJFHSA-N 1 0 385.895 3.226 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000152757413 1422238089 /nfs/dbraw/zinc/23/80/89/1422238089.db2.gz DKOLILJPMFDICB-MRXNPFEDSA-N 1 0 393.528 3.363 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CCN(c3cc[nH+]cc3)CC2)sc2c1CCCC2 ZINC000152767241 1422241088 /nfs/dbraw/zinc/24/10/88/1422241088.db2.gz CSSYZADOGDQLBO-UHFFFAOYSA-N 1 0 395.532 3.044 20 30 GGEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[NH+]1C[C@H]3CCC[C@@H]3C1)CCCC2 ZINC000152773879 1422243872 /nfs/dbraw/zinc/24/38/72/1422243872.db2.gz IAYDYKDASHXLSH-KURKYZTESA-N 1 0 396.535 3.088 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000152948336 1422304902 /nfs/dbraw/zinc/30/49/02/1422304902.db2.gz YICLOPVOCAZOPF-MRXNPFEDSA-N 1 0 375.513 3.051 20 30 GGEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000152960000 1422309036 /nfs/dbraw/zinc/30/90/36/1422309036.db2.gz ZLOWVSSGOLMTMW-MSOLQXFVSA-N 1 0 383.410 3.189 20 30 GGEDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000153036955 1422335182 /nfs/dbraw/zinc/33/51/82/1422335182.db2.gz LZAGRSGUXBLVOR-HUUCEWRRSA-N 1 0 375.538 3.453 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C#N)c1C ZINC000179767669 1429549634 /nfs/dbraw/zinc/54/96/34/1429549634.db2.gz YFQAFFOKVIYDSB-CYBMUJFWSA-N 1 0 380.448 3.406 20 30 GGEDRO C[N@H+](CCCO)C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000179766982 1429549651 /nfs/dbraw/zinc/54/96/51/1429549651.db2.gz FTMAWMLHAKXFQG-UHFFFAOYSA-N 1 0 393.487 3.269 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1Cl ZINC000153079841 1422349793 /nfs/dbraw/zinc/34/97/93/1422349793.db2.gz LLCSRLHDHVMBRM-VQIMIIECSA-N 1 0 375.900 3.396 20 30 GGEDRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153265947 1422429119 /nfs/dbraw/zinc/42/91/19/1422429119.db2.gz HRPLDBKHPMDHRL-SNVBAGLBSA-N 1 0 395.294 3.062 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(N3CCCCC3=O)CC2)cc1Cl ZINC000153287030 1422443006 /nfs/dbraw/zinc/44/30/06/1422443006.db2.gz KTTFNAMMXZQALO-UHFFFAOYSA-N 1 0 388.899 3.017 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000153296620 1422450188 /nfs/dbraw/zinc/45/01/88/1422450188.db2.gz MNZFBQRPQLXFIT-UHFFFAOYSA-N 1 0 388.475 3.180 20 30 GGEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](CCC#N)c3ccccc3)c2)CC1 ZINC000153327981 1422472106 /nfs/dbraw/zinc/47/21/06/1422472106.db2.gz IJNVRYOFBBHHLS-QFIPXVFZSA-N 1 0 376.504 3.209 20 30 GGEDRO CN(C)c1ccc(N2CCC(NC(=O)c3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000153368587 1422498749 /nfs/dbraw/zinc/49/87/49/1422498749.db2.gz AUYISAYDUHEDLV-UHFFFAOYSA-N 1 0 384.430 3.301 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OCC#N ZINC000153376567 1422504617 /nfs/dbraw/zinc/50/46/17/1422504617.db2.gz WLBLKFXDYHCVMZ-QKHICEAHSA-N 1 0 395.503 3.086 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000153422716 1422527774 /nfs/dbraw/zinc/52/77/74/1422527774.db2.gz VOIIWHACELHHBN-MSOLQXFVSA-N 1 0 394.560 3.162 20 30 GGEDRO CC(=O)OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000153455170 1422545892 /nfs/dbraw/zinc/54/58/92/1422545892.db2.gz SNNIBUSZLXOQTK-CYBMUJFWSA-N 1 0 389.521 3.101 20 30 GGEDRO C=CCn1c(-c2cccc(OC)c2)nn(CN2CC[NH+](CC3CC3)CC2)c1=S ZINC000153602081 1422641569 /nfs/dbraw/zinc/64/15/69/1422641569.db2.gz MBYGSHVPWAGGQQ-UHFFFAOYSA-N 1 0 399.564 3.261 20 30 GGEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1=S ZINC000153627183 1422658473 /nfs/dbraw/zinc/65/84/73/1422658473.db2.gz KKNCQBALAKGNEQ-LJQANCHMSA-N 1 0 385.581 3.420 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153685485 1422701853 /nfs/dbraw/zinc/70/18/53/1422701853.db2.gz HPQGTGKOAWEYKH-JOCHJYFZSA-N 1 0 396.491 3.059 20 30 GGEDRO C[NH+]=C(NCc1cc(Cl)ccc1OC(F)F)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000153696653 1422707803 /nfs/dbraw/zinc/70/78/03/1422707803.db2.gz BIPGYOFBOFOMJF-CFVMTHIKSA-N 1 0 387.858 3.420 20 30 GGEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c(SC)cc1OC ZINC000153765397 1422744510 /nfs/dbraw/zinc/74/45/10/1422744510.db2.gz KYPYPVWJLBGRQH-UHFFFAOYSA-N 1 0 398.532 3.451 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153791581 1422759626 /nfs/dbraw/zinc/75/96/26/1422759626.db2.gz IRNDMGOOOXLOTM-UHFFFAOYSA-N 1 0 385.508 3.060 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)CNc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000153899576 1422807759 /nfs/dbraw/zinc/80/77/59/1422807759.db2.gz RTNCLCDKVDDHQX-OAQYLSRUSA-N 1 0 392.503 3.322 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000154006002 1422824228 /nfs/dbraw/zinc/82/42/28/1422824228.db2.gz JVUMVLGXEVDNSZ-WIYYLYMNSA-N 1 0 377.488 3.301 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000154186666 1422852110 /nfs/dbraw/zinc/85/21/10/1422852110.db2.gz KNMKRPVGAQQUFI-UHFFFAOYSA-N 1 0 394.560 3.162 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000154221747 1422857494 /nfs/dbraw/zinc/85/74/94/1422857494.db2.gz HHSCLMCQSRIJBL-FDDCHVKYSA-N 1 0 392.499 3.458 20 30 GGEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000154233399 1422859405 /nfs/dbraw/zinc/85/94/05/1422859405.db2.gz YFTKDUWHJXYJBB-UHFFFAOYSA-N 1 0 377.488 3.404 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1 ZINC000154380012 1422881280 /nfs/dbraw/zinc/88/12/80/1422881280.db2.gz ARSQVIOZCJQYJR-IBGZPJMESA-N 1 0 398.894 3.349 20 30 GGEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000154432134 1422888141 /nfs/dbraw/zinc/88/81/41/1422888141.db2.gz LMLJJGIFBQSHTG-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+]1CCCCCC1 ZINC000154465440 1422892057 /nfs/dbraw/zinc/89/20/57/1422892057.db2.gz FDJVRDNDGSBNNB-SFHVURJKSA-N 1 0 390.915 3.167 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1cccc(CO)c1 ZINC000154471219 1422893196 /nfs/dbraw/zinc/89/31/96/1422893196.db2.gz LNBCXZIETNWVLD-OAHLLOKOSA-O 1 0 387.525 3.110 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccccc1 ZINC000154484794 1422895256 /nfs/dbraw/zinc/89/52/56/1422895256.db2.gz LSUJVZPLGKTRGD-INIZCTEOSA-O 1 0 396.536 3.428 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccc(C)cc1 ZINC000154488271 1422895460 /nfs/dbraw/zinc/89/54/60/1422895460.db2.gz PUEPAJDKDZFHTN-OAHLLOKOSA-O 1 0 396.536 3.494 20 30 GGEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000154488604 1422895825 /nfs/dbraw/zinc/89/58/25/1422895825.db2.gz TXHHYZGITKMRFM-UHFFFAOYSA-N 1 0 398.894 3.307 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(N(C)C)cc1 ZINC000154495922 1422896790 /nfs/dbraw/zinc/89/67/90/1422896790.db2.gz CEIYRLMMBJVSPS-HNNXBMFYSA-O 1 0 386.541 3.376 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[n+]1ccccc1 ZINC000154504315 1422897802 /nfs/dbraw/zinc/89/78/02/1422897802.db2.gz RZAUMNOTAYUZEV-LBPRGKRZSA-O 1 0 388.513 3.033 20 30 GGEDRO C[C@@](O)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000154569208 1422937383 /nfs/dbraw/zinc/93/73/83/1422937383.db2.gz ZCDVTEKCEXXTLY-LJQANCHMSA-N 1 0 375.856 3.136 20 30 GGEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000154735781 1423015335 /nfs/dbraw/zinc/01/53/35/1423015335.db2.gz UHYCGDMVONSDHH-GOSISDBHSA-N 1 0 384.524 3.295 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000154735071 1423015637 /nfs/dbraw/zinc/01/56/37/1423015637.db2.gz UXBYPPQLDLWKDN-GOSISDBHSA-N 1 0 384.524 3.438 20 30 GGEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000154804728 1423040040 /nfs/dbraw/zinc/04/00/40/1423040040.db2.gz DKPCXTPUVYWIFV-KRWDZBQOSA-N 1 0 384.524 3.294 20 30 GGEDRO CC(C)(CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)N1CCOCC1 ZINC000154893521 1423070769 /nfs/dbraw/zinc/07/07/69/1423070769.db2.gz WKWZHPRQTSNINC-UHFFFAOYSA-N 1 0 378.476 3.142 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)CC2)cc1 ZINC000154916246 1423079484 /nfs/dbraw/zinc/07/94/84/1423079484.db2.gz JXFIAGRUBDOADL-YTFSRNRJSA-N 1 0 386.499 3.114 20 30 GGEDRO Cn1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179868943 1429616934 /nfs/dbraw/zinc/61/69/34/1429616934.db2.gz ZJGNDWFTYNAVEL-UHFFFAOYSA-N 1 0 375.451 3.420 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155114534 1423175497 /nfs/dbraw/zinc/17/54/97/1423175497.db2.gz GTRZQERMEYCDHH-KRWDZBQOSA-N 1 0 375.513 3.005 20 30 GGEDRO COc1ccc(C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000155117352 1423176141 /nfs/dbraw/zinc/17/61/41/1423176141.db2.gz WJGVUYKVYXFRKI-GOSISDBHSA-N 1 0 379.504 3.336 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)c1C#N ZINC000179882553 1429623547 /nfs/dbraw/zinc/62/35/47/1429623547.db2.gz ASACXZLQIOJPCE-HNNXBMFYSA-N 1 0 398.482 3.448 20 30 GGEDRO Cn1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179896349 1429629321 /nfs/dbraw/zinc/62/93/21/1429629321.db2.gz DUGSZLJZKIOMNS-UHFFFAOYSA-N 1 0 399.498 3.353 20 30 GGEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000155369776 1423337301 /nfs/dbraw/zinc/33/73/01/1423337301.db2.gz RSFYGQMBFQRDCS-CQSZACIVSA-N 1 0 390.915 3.167 20 30 GGEDRO CC(C)(C#N)C(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000155388358 1423343912 /nfs/dbraw/zinc/34/39/12/1423343912.db2.gz MEBZCBQITAPXIM-UHFFFAOYSA-N 1 0 391.515 3.487 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000155416100 1423355722 /nfs/dbraw/zinc/35/57/22/1423355722.db2.gz FWWJXCBWNLOYQZ-UHFFFAOYSA-N 1 0 376.382 3.175 20 30 GGEDRO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000155433902 1423362350 /nfs/dbraw/zinc/36/23/50/1423362350.db2.gz KVAHAKCWMKLZJM-JOCHJYFZSA-N 1 0 375.472 3.148 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000155463716 1423374890 /nfs/dbraw/zinc/37/48/90/1423374890.db2.gz MNKYIMLDFZEAHO-OAHLLOKOSA-N 1 0 392.372 3.445 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@@H]3OCCC[C@@H]3C2)c1C#N ZINC000155493496 1423385112 /nfs/dbraw/zinc/38/51/12/1423385112.db2.gz TZLONOHLFZDXRX-NQIIRXRSSA-N 1 0 392.503 3.405 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000155507529 1423392169 /nfs/dbraw/zinc/39/21/69/1423392169.db2.gz BBNNUVCLZUKXBH-IRXDYDNUSA-N 1 0 378.476 3.062 20 30 GGEDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000155530960 1423402570 /nfs/dbraw/zinc/40/25/70/1423402570.db2.gz AGCQKZFOGOQQTM-FQEVSTJZSA-N 1 0 377.488 3.485 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000155533694 1423404686 /nfs/dbraw/zinc/40/46/86/1423404686.db2.gz FDZDFCUEPKTXLF-ZRBLBEILSA-N 1 0 388.515 3.217 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179915948 1429639414 /nfs/dbraw/zinc/63/94/14/1429639414.db2.gz UFIPWQXQZDSMIO-GOSISDBHSA-N 1 0 381.480 3.058 20 30 GGEDRO COc1ccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)[C@H](CO)C(C)C)cc1 ZINC000179922968 1429642802 /nfs/dbraw/zinc/64/28/02/1429642802.db2.gz WYUDLAVYGYXYFJ-JOCHJYFZSA-N 1 0 395.503 3.415 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000155674857 1423481846 /nfs/dbraw/zinc/48/18/46/1423481846.db2.gz CXPQCTYIOGBPTQ-QGZVFWFLSA-N 1 0 396.878 3.161 20 30 GGEDRO CCOc1ccc(N(CCC#N)C(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000155765329 1423523604 /nfs/dbraw/zinc/52/36/04/1423523604.db2.gz IANOMZGBNYFCJS-UHFFFAOYSA-N 1 0 385.508 3.367 20 30 GGEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CNc1cccc(C#N)c1 ZINC000155826394 1423550558 /nfs/dbraw/zinc/55/05/58/1423550558.db2.gz FGXLMHQVPGQMSL-UHFFFAOYSA-N 1 0 380.517 3.466 20 30 GGEDRO COc1cc(C)ccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000155946038 1423604742 /nfs/dbraw/zinc/60/47/42/1423604742.db2.gz CIQFHQZZDCIADD-UHFFFAOYSA-N 1 0 392.503 3.293 20 30 GGEDRO CN1CC[NH+](CCCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000156064348 1423657249 /nfs/dbraw/zinc/65/72/49/1423657249.db2.gz ATUPXQPNPQTNIH-UHFFFAOYSA-N 1 0 391.519 3.059 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000156083608 1423664848 /nfs/dbraw/zinc/66/48/48/1423664848.db2.gz JNCNNAMRCJIUFQ-RTBURBONSA-N 1 0 377.554 3.214 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000156186633 1423712807 /nfs/dbraw/zinc/71/28/07/1423712807.db2.gz PWJSHYCATHNJRT-VXKWHMMOSA-N 1 0 385.552 3.195 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000156186875 1423713441 /nfs/dbraw/zinc/71/34/41/1423713441.db2.gz PWJSHYCATHNJRT-FCHUYYIVSA-N 1 0 385.552 3.195 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000179964156 1429665197 /nfs/dbraw/zinc/66/51/97/1429665197.db2.gz LDFCDDAKGHTKHU-HNAYVOBHSA-N 1 0 377.444 3.176 20 30 GGEDRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000156244346 1423740359 /nfs/dbraw/zinc/74/03/59/1423740359.db2.gz TYJACGWPQGOYKE-UHFFFAOYSA-N 1 0 375.469 3.018 20 30 GGEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000179969912 1429667819 /nfs/dbraw/zinc/66/78/19/1429667819.db2.gz SMXAQWXAHKRGLK-QVKFZJNVSA-N 1 0 376.460 3.363 20 30 GGEDRO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC(CO)CC1 ZINC000156261972 1423748369 /nfs/dbraw/zinc/74/83/69/1423748369.db2.gz AWEOMYSREWSGJF-UHFFFAOYSA-N 1 0 375.538 3.310 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]CC3(N4CCSCC4)CCCC3)C2=O)cc1 ZINC000179971698 1429668517 /nfs/dbraw/zinc/66/85/17/1429668517.db2.gz FGVPRYUHVOQLRD-FQEVSTJZSA-N 1 0 398.576 3.005 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000179973714 1429670359 /nfs/dbraw/zinc/67/03/59/1429670359.db2.gz FZDFCLSVONXQNO-YCRPNKLZSA-N 1 0 388.471 3.289 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000179973743 1429670693 /nfs/dbraw/zinc/67/06/93/1429670693.db2.gz FZDFCLSVONXQNO-BTYIYWSLSA-N 1 0 388.471 3.289 20 30 GGEDRO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000156349277 1423792154 /nfs/dbraw/zinc/79/21/54/1423792154.db2.gz VSTOLIRVPXEIKA-IBGZPJMESA-N 1 0 380.467 3.158 20 30 GGEDRO C[NH+]=C(NCCc1ccc(F)c(Br)c1)NCc1c(C)noc1C ZINC000156351245 1423793230 /nfs/dbraw/zinc/79/32/30/1423793230.db2.gz KXYHCDZZRKFZGH-UHFFFAOYSA-N 1 0 383.265 3.101 20 30 GGEDRO CC[NH+]=C(NCc1c(C)noc1C)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000156400130 1423805836 /nfs/dbraw/zinc/80/58/36/1423805836.db2.gz RYQQUKATYBGIGC-INIZCTEOSA-N 1 0 375.904 3.279 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000156506556 1423820200 /nfs/dbraw/zinc/82/02/00/1423820200.db2.gz XTFQJINDWGYQPX-KRWDZBQOSA-N 1 0 392.503 3.287 20 30 GGEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000156640456 1423839521 /nfs/dbraw/zinc/83/95/21/1423839521.db2.gz XYKIAEODMLHLNX-FQEVSTJZSA-N 1 0 377.488 3.469 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000156647180 1423840627 /nfs/dbraw/zinc/84/06/27/1423840627.db2.gz QEMXRCWNMGQWIX-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000179986533 1429676518 /nfs/dbraw/zinc/67/65/18/1429676518.db2.gz PHSILQPMPGOKSC-UHFFFAOYSA-N 1 0 399.539 3.112 20 30 GGEDRO N#Cc1ccccc1CN(C1CC1)S(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000156726482 1423854853 /nfs/dbraw/zinc/85/48/53/1423854853.db2.gz ZRHISCSYHRJJLO-QFIPXVFZSA-N 1 0 395.528 3.127 20 30 GGEDRO CC[NH+]=C(NCc1c(C)noc1C)NCc1cc(F)ccc1Br ZINC000156782605 1423864011 /nfs/dbraw/zinc/86/40/11/1423864011.db2.gz LZQWVKWBDADELG-UHFFFAOYSA-N 1 0 383.265 3.448 20 30 GGEDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000156815288 1423869287 /nfs/dbraw/zinc/86/92/87/1423869287.db2.gz RAONFZAMJSAEEL-UHFFFAOYSA-N 1 0 389.443 3.120 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000156895678 1423882054 /nfs/dbraw/zinc/88/20/54/1423882054.db2.gz YYLZHVUJFUCSLO-OAQYLSRUSA-N 1 0 396.535 3.267 20 30 GGEDRO N#Cc1ccc(NCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000156953323 1423892592 /nfs/dbraw/zinc/89/25/92/1423892592.db2.gz VMZPNYDMUZPCIO-GGAORHGYSA-N 1 0 388.515 3.483 20 30 GGEDRO Cc1cccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000157010226 1423902634 /nfs/dbraw/zinc/90/26/34/1423902634.db2.gz FNTZWJPCLQNPPK-UHFFFAOYSA-N 1 0 376.504 3.327 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000157073954 1423918159 /nfs/dbraw/zinc/91/81/59/1423918159.db2.gz MTJXNHUMMUFTLA-FQEVSTJZSA-N 1 0 384.524 3.123 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000157339930 1423988531 /nfs/dbraw/zinc/98/85/31/1423988531.db2.gz MNSLWIMTZRWSCM-FXAWDEMLSA-N 1 0 382.508 3.083 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000157340077 1423988615 /nfs/dbraw/zinc/98/86/15/1423988615.db2.gz MNSLWIMTZRWSCM-PXNSSMCTSA-N 1 0 382.508 3.083 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCC(=O)Nc3sccc3C#N)ccc2NC1=O ZINC000180010115 1429688734 /nfs/dbraw/zinc/68/87/34/1429688734.db2.gz BWAJLDSXXRXDHD-WBMJQRKESA-N 1 0 398.488 3.409 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000157349967 1423991938 /nfs/dbraw/zinc/99/19/38/1423991938.db2.gz MBLYQSCZQPTQSO-MRXNPFEDSA-N 1 0 377.448 3.219 20 30 GGEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCC(=O)Nc3sccc3C#N)ccc2NC1=O ZINC000180010100 1429688917 /nfs/dbraw/zinc/68/89/17/1429688917.db2.gz BWAJLDSXXRXDHD-MLGOLLRUSA-N 1 0 398.488 3.409 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000157357624 1423994063 /nfs/dbraw/zinc/99/40/63/1423994063.db2.gz KDEMRISFROQIHU-UHFFFAOYSA-N 1 0 379.460 3.296 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000157399645 1424003142 /nfs/dbraw/zinc/00/31/42/1424003142.db2.gz VDTAYMADKVPQOS-SFHVURJKSA-N 1 0 395.507 3.143 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000157399795 1424003492 /nfs/dbraw/zinc/00/34/92/1424003492.db2.gz VDTAYMADKVPQOS-GOSISDBHSA-N 1 0 395.507 3.143 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157470119 1424018249 /nfs/dbraw/zinc/01/82/49/1424018249.db2.gz KAADLHIVCYKCHS-GOSISDBHSA-N 1 0 399.535 3.449 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180015529 1429693028 /nfs/dbraw/zinc/69/30/28/1429693028.db2.gz TUGIDIRTIMLFDH-QGZVFWFLSA-N 1 0 395.507 3.305 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000157561249 1424038036 /nfs/dbraw/zinc/03/80/36/1424038036.db2.gz MGQDKDHPJJTNSN-HOTGVXAUSA-N 1 0 395.956 3.487 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157706527 1424069616 /nfs/dbraw/zinc/06/96/16/1424069616.db2.gz CHJIIHWVDXAPIM-GOSISDBHSA-N 1 0 396.535 3.308 20 30 GGEDRO Cn1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180011280 1429690885 /nfs/dbraw/zinc/69/08/85/1429690885.db2.gz BOXXPRISRQFCFX-OAQYLSRUSA-N 1 0 380.492 3.119 20 30 GGEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCC(=O)Nc3cccc(C#N)c3)ccc2NC1=O ZINC000180028946 1429702654 /nfs/dbraw/zinc/70/26/54/1429702654.db2.gz AFPISFDNYCBIPR-AUUYWEPGSA-N 1 0 392.459 3.347 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000180022779 1429698999 /nfs/dbraw/zinc/69/89/99/1429698999.db2.gz DDCZVKUKYFEUJX-MRXNPFEDSA-N 1 0 379.464 3.159 20 30 GGEDRO N#CCCn1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(-c2ccccc2)n1 ZINC000157889191 1424113690 /nfs/dbraw/zinc/11/36/90/1424113690.db2.gz OQRRYLGRGDBPQK-UHFFFAOYSA-N 1 0 387.487 3.492 20 30 GGEDRO COc1cccc([C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+](C)C)c1 ZINC000157920771 1424120015 /nfs/dbraw/zinc/12/00/15/1424120015.db2.gz NALSFDPBKPOUOG-FQEVSTJZSA-N 1 0 381.476 3.143 20 30 GGEDRO C[NH+]=C(NCc1ccc(Br)cc1Cl)N1CC[C@@]2(CCOC2)C1 ZINC000158002957 1424137988 /nfs/dbraw/zinc/13/79/88/1424137988.db2.gz QRJHIPPUYAWBNA-MRXNPFEDSA-N 1 0 386.721 3.290 20 30 GGEDRO COc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000180026137 1429701568 /nfs/dbraw/zinc/70/15/68/1429701568.db2.gz YXHWARDNRGXIEI-UHFFFAOYSA-N 1 0 376.460 3.308 20 30 GGEDRO CC[NH+]=C(NCCc1ccc(Br)s1)N1CC[C@@]2(CCOC2)C1 ZINC000158064885 1424154151 /nfs/dbraw/zinc/15/41/51/1424154151.db2.gz UWBMTGSIPPCMJN-MRXNPFEDSA-N 1 0 386.359 3.131 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000180038602 1429707806 /nfs/dbraw/zinc/70/78/06/1429707806.db2.gz NSDUMJPAUXJRMQ-INIZCTEOSA-N 1 0 382.464 3.240 20 30 GGEDRO CC(=O)Nc1ccc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000158163673 1424183696 /nfs/dbraw/zinc/18/36/96/1424183696.db2.gz RMLBSNSJSIYTLH-UHFFFAOYSA-N 1 0 398.894 3.374 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000158186998 1424189228 /nfs/dbraw/zinc/18/92/28/1424189228.db2.gz XXHZKRHAYCDARI-SJLPKXTDSA-N 1 0 394.560 3.114 20 30 GGEDRO COc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc(OC)c1OC ZINC000180035333 1429706091 /nfs/dbraw/zinc/70/60/91/1429706091.db2.gz VEDQAFONTHXIIB-UHFFFAOYSA-N 1 0 392.459 3.274 20 30 GGEDRO Cn1cc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180037464 1429707072 /nfs/dbraw/zinc/70/70/72/1429707072.db2.gz XTUAZIYNALZBSQ-UHFFFAOYSA-N 1 0 385.471 3.375 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000158311489 1424223310 /nfs/dbraw/zinc/22/33/10/1424223310.db2.gz HXELWDNUDTUBPP-IBGZPJMESA-N 1 0 388.943 3.455 20 30 GGEDRO CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000158324581 1424226715 /nfs/dbraw/zinc/22/67/15/1424226715.db2.gz BNWDZPFGYSNJTK-UHFFFAOYSA-N 1 0 377.488 3.035 20 30 GGEDRO Cn1cc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180051084 1429714687 /nfs/dbraw/zinc/71/46/87/1429714687.db2.gz HGSZIWGFANESQU-UHFFFAOYSA-N 1 0 385.471 3.375 20 30 GGEDRO Cn1cc(C[NH2+]CC2(N3CCSCC3)CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180050272 1429714312 /nfs/dbraw/zinc/71/43/12/1429714312.db2.gz YZBJXZIZNGBEAN-UHFFFAOYSA-N 1 0 395.576 3.410 20 30 GGEDRO Cn1cc(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180050339 1429714447 /nfs/dbraw/zinc/71/44/47/1429714447.db2.gz ISOFPARLYQMPTQ-UHFFFAOYSA-N 1 0 399.498 3.371 20 30 GGEDRO CCCNC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180054077 1429715745 /nfs/dbraw/zinc/71/57/45/1429715745.db2.gz UVMNXKVQHBFFES-UHFFFAOYSA-N 1 0 387.487 3.388 20 30 GGEDRO CS(=O)(=O)CCc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000180053170 1429715940 /nfs/dbraw/zinc/71/59/40/1429715940.db2.gz DCAMALYWBJTOIP-UHFFFAOYSA-N 1 0 397.544 3.222 20 30 GGEDRO N#CC1(NC(=O)CN2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000158702694 1424322824 /nfs/dbraw/zinc/32/28/24/1424322824.db2.gz YNCLWCORLCFUMS-SJORKVTESA-N 1 0 395.425 3.156 20 30 GGEDRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cn2)n1 ZINC000180059464 1429718258 /nfs/dbraw/zinc/71/82/58/1429718258.db2.gz LKSSFAIPVPNIFO-UHFFFAOYSA-N 1 0 397.486 3.446 20 30 GGEDRO N#CCc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000158933447 1424375482 /nfs/dbraw/zinc/37/54/82/1424375482.db2.gz RLOGEQCZLSIXOK-UHFFFAOYSA-N 1 0 375.538 3.029 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000158933601 1424375616 /nfs/dbraw/zinc/37/56/16/1424375616.db2.gz UTWTYXVBXIXYRW-UHFFFAOYSA-N 1 0 375.538 3.143 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1Cl ZINC000158939514 1424377213 /nfs/dbraw/zinc/37/72/13/1424377213.db2.gz BBFFXOUZMDKHLD-UHFFFAOYSA-N 1 0 395.956 3.488 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2-n2nc(C)cc2C)CC1 ZINC000159340683 1424490035 /nfs/dbraw/zinc/49/00/35/1424490035.db2.gz JJXWBPODDGGMID-UHFFFAOYSA-N 1 0 381.524 3.329 20 30 GGEDRO CC(=O)Nc1ccc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000159517579 1424510228 /nfs/dbraw/zinc/51/02/28/1424510228.db2.gz CWSXBFKJOOKFRE-UHFFFAOYSA-N 1 0 398.894 3.374 20 30 GGEDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000159873150 1424546888 /nfs/dbraw/zinc/54/68/88/1424546888.db2.gz XVPAEIHIXPYIFV-HZPDHXFCSA-N 1 0 389.459 3.024 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000159949457 1424555824 /nfs/dbraw/zinc/55/58/24/1424555824.db2.gz ASFUCNNZLRPBGO-GDBMZVCRSA-N 1 0 384.509 3.258 20 30 GGEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000160006782 1424561439 /nfs/dbraw/zinc/56/14/39/1424561439.db2.gz FJHZTIKGNISUKN-XMSQKQJNSA-N 1 0 397.544 3.373 20 30 GGEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000160001149 1424561993 /nfs/dbraw/zinc/56/19/93/1424561993.db2.gz IDIVINUULRZONI-FXAWDEMLSA-N 1 0 383.517 3.232 20 30 GGEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000160001403 1424562022 /nfs/dbraw/zinc/56/20/22/1424562022.db2.gz IDIVINUULRZONI-PXNSSMCTSA-N 1 0 383.517 3.232 20 30 GGEDRO C[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000160064829 1424569339 /nfs/dbraw/zinc/56/93/39/1424569339.db2.gz ZXLYPYKEXXXLBZ-HOTGVXAUSA-N 1 0 388.585 3.338 20 30 GGEDRO C[N@H+](CCN1CCN(CC#Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000160119432 1424577176 /nfs/dbraw/zinc/57/71/76/1424577176.db2.gz KSGRPJVVNWUROD-UHFFFAOYSA-N 1 0 381.951 3.441 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(C(=O)c4ccoc4)CC3)C2)c(F)c1 ZINC000160134982 1424578384 /nfs/dbraw/zinc/57/83/84/1424578384.db2.gz XURDXZIENHOYAX-IBGZPJMESA-N 1 0 396.466 3.154 20 30 GGEDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160175717 1424584330 /nfs/dbraw/zinc/58/43/30/1424584330.db2.gz OMQCBROKBLCGSY-MJGOQNOKSA-N 1 0 386.515 3.437 20 30 GGEDRO CN(C)C(=O)c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000160634914 1424621398 /nfs/dbraw/zinc/62/13/98/1424621398.db2.gz QTHYZHCYELBHAM-UHFFFAOYSA-N 1 0 380.370 3.214 20 30 GGEDRO Cc1nccn1-c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cn1 ZINC000160655434 1424623255 /nfs/dbraw/zinc/62/32/55/1424623255.db2.gz BMHQOXBRNBFLOV-UHFFFAOYSA-N 1 0 390.369 3.401 20 30 GGEDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccccc1OC(F)(F)F ZINC000160667451 1424624275 /nfs/dbraw/zinc/62/42/75/1424624275.db2.gz BZVGZDPENCZZSF-UHFFFAOYSA-N 1 0 394.397 3.349 20 30 GGEDRO CCNC(=O)c1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160681256 1424626245 /nfs/dbraw/zinc/62/62/45/1424626245.db2.gz FIJBXWYMTCIVNJ-UHFFFAOYSA-N 1 0 380.370 3.262 20 30 GGEDRO Cc1ccoc1C(=O)NCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160739493 1424631814 /nfs/dbraw/zinc/63/18/14/1424631814.db2.gz MMCRQYKWKOWNDJ-UHFFFAOYSA-N 1 0 384.358 3.033 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[N@@H+](C)C[C@H]2C(C)C)c1=S ZINC000160908109 1424643283 /nfs/dbraw/zinc/64/32/83/1424643283.db2.gz UCFLLIYKMUOPAC-SFHVURJKSA-N 1 0 386.569 3.282 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160959213 1424647621 /nfs/dbraw/zinc/64/76/21/1424647621.db2.gz VFQBHYVARXVYNC-UHFFFAOYSA-N 1 0 375.538 3.188 20 30 GGEDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000160959067 1424647636 /nfs/dbraw/zinc/64/76/36/1424647636.db2.gz FIDPSDBYLAGLRK-UHFFFAOYSA-N 1 0 375.538 3.074 20 30 GGEDRO CC[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCN(c2ccccc2F)CC1 ZINC000161093464 1424657719 /nfs/dbraw/zinc/65/77/19/1424657719.db2.gz ORPHOTHCIQTFHP-OAHLLOKOSA-N 1 0 387.503 3.322 20 30 GGEDRO CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCN(c2ccccc2F)CC1 ZINC000161093587 1424657742 /nfs/dbraw/zinc/65/77/42/1424657742.db2.gz ORPHOTHCIQTFHP-HNNXBMFYSA-N 1 0 387.503 3.322 20 30 GGEDRO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)s2)cc1 ZINC000180118108 1429745124 /nfs/dbraw/zinc/74/51/24/1429745124.db2.gz DFFVSQLOMZREFN-LJQANCHMSA-N 1 0 396.516 3.187 20 30 GGEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000161180360 1424664909 /nfs/dbraw/zinc/66/49/09/1424664909.db2.gz QSGLUHPFFFSERL-UHFFFAOYSA-N 1 0 376.476 3.300 20 30 GGEDRO C=C(C)COCCNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000161288722 1424674106 /nfs/dbraw/zinc/67/41/06/1424674106.db2.gz QBQRKQZSGQZDSX-UHFFFAOYSA-N 1 0 387.524 3.099 20 30 GGEDRO N#Cc1c(NC(=O)CN2CCN(c3cc[nH+]cc3)CC2)sc2c1CCCCC2 ZINC000161308493 1424675029 /nfs/dbraw/zinc/67/50/29/1424675029.db2.gz ZOTGCUTTZXFMJU-UHFFFAOYSA-N 1 0 395.532 3.044 20 30 GGEDRO CC[NH+]1CCC(N(C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000161330948 1424678075 /nfs/dbraw/zinc/67/80/75/1424678075.db2.gz WGQBUASQVRTMMX-UHFFFAOYSA-N 1 0 376.932 3.311 20 30 GGEDRO C#CCOc1ccc(NC(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)cc1 ZINC000161537904 1424703717 /nfs/dbraw/zinc/70/37/17/1424703717.db2.gz YNWIFSVNXBGTQS-UHFFFAOYSA-N 1 0 387.524 3.301 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CNc1ccc(C#N)cc1 ZINC000161592304 1424719687 /nfs/dbraw/zinc/71/96/87/1424719687.db2.gz WMRXNJCVGOUPRV-NRFANRHFSA-N 1 0 392.503 3.189 20 30 GGEDRO CCOc1ccc(NC(=O)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180127322 1429749211 /nfs/dbraw/zinc/74/92/11/1429749211.db2.gz WFOWGGLDZGHGBD-UHFFFAOYSA-N 1 0 389.459 3.086 20 30 GGEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161698290 1424743215 /nfs/dbraw/zinc/74/32/15/1424743215.db2.gz FJZHWOYVSOLQFV-KRWDZBQOSA-N 1 0 391.519 3.491 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000161701083 1424743865 /nfs/dbraw/zinc/74/38/65/1424743865.db2.gz PMPKZMGLQOHQGQ-MRXNPFEDSA-N 1 0 391.475 3.229 20 30 GGEDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161722637 1424750831 /nfs/dbraw/zinc/75/08/31/1424750831.db2.gz JDKJJTNBKSBLCA-AVRDEDQJSA-N 1 0 375.520 3.032 20 30 GGEDRO COCc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000161734616 1424754015 /nfs/dbraw/zinc/75/40/15/1424754015.db2.gz YOFOMOFMVSWBSU-MRXNPFEDSA-N 1 0 380.492 3.428 20 30 GGEDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000161820187 1424772522 /nfs/dbraw/zinc/77/25/22/1424772522.db2.gz YHZKHEUPUFIHAA-UHFFFAOYSA-N 1 0 382.464 3.171 20 30 GGEDRO CN(C)c1cc(C(F)(F)F)nc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000161922246 1424797956 /nfs/dbraw/zinc/79/79/56/1424797956.db2.gz JJKBCCPCUJPTGT-UHFFFAOYSA-N 1 0 392.429 3.001 20 30 GGEDRO C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000162146561 1424820066 /nfs/dbraw/zinc/82/00/66/1424820066.db2.gz LZYWMRMOSQYHLL-HNNXBMFYSA-N 1 0 389.496 3.246 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@H](COCc2ccccc2)C1 ZINC000162247136 1424830594 /nfs/dbraw/zinc/83/05/94/1424830594.db2.gz BSKLKHKRIDMZSF-BURNTYAHSA-N 1 0 383.536 3.058 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]2C(C)(C)O)c1C#N ZINC000162586873 1424869250 /nfs/dbraw/zinc/86/92/50/1424869250.db2.gz BITCJXRUKYYPOX-IBGZPJMESA-N 1 0 398.482 3.279 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1C#N ZINC000162630051 1424873643 /nfs/dbraw/zinc/87/36/43/1424873643.db2.gz YNSAYWZIUZMXRC-HXUWFJFHSA-N 1 0 394.519 3.199 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C(C)(C)O)c1C#N ZINC000162630173 1424873729 /nfs/dbraw/zinc/87/37/29/1424873729.db2.gz YNSAYWZIUZMXRC-FQEVSTJZSA-N 1 0 394.519 3.199 20 30 GGEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000162924186 1424906423 /nfs/dbraw/zinc/90/64/23/1424906423.db2.gz KXVSQLJFFBGEPZ-UHFFFAOYSA-N 1 0 398.551 3.282 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc2c(C)cc(F)cc2c1O)C(C)C ZINC000163020553 1424924893 /nfs/dbraw/zinc/92/48/93/1424924893.db2.gz LZSCOEZIUYOJKA-LJQANCHMSA-N 1 0 385.483 3.404 20 30 GGEDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180157227 1429769199 /nfs/dbraw/zinc/76/91/99/1429769199.db2.gz KBONXEQXDMWVCJ-OAQYLSRUSA-N 1 0 376.460 3.133 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000163646927 1425028870 /nfs/dbraw/zinc/02/88/70/1425028870.db2.gz XWMCRRWEZMFVIZ-LJQANCHMSA-N 1 0 387.524 3.210 20 30 GGEDRO C#CCOCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)[NH2+]C2(C)C ZINC000164757780 1425140109 /nfs/dbraw/zinc/14/01/09/1425140109.db2.gz WXBDGFCEGFKLIM-UHFFFAOYSA-N 1 0 392.521 3.063 20 30 GGEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)CC1(C#N)CC1)C1CCCCC1 ZINC000164794143 1425143067 /nfs/dbraw/zinc/14/30/67/1425143067.db2.gz UUFWXAWDFOUUBP-UHFFFAOYSA-N 1 0 375.538 3.174 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(OC(C)(C)C)CC2)c(OC)c1 ZINC000164905213 1425150279 /nfs/dbraw/zinc/15/02/79/1425150279.db2.gz MXBMFQXJTXVORR-GOSISDBHSA-N 1 0 377.525 3.443 20 30 GGEDRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000165679086 1425191293 /nfs/dbraw/zinc/19/12/93/1425191293.db2.gz RWAFLNJVXMIEJV-UHFFFAOYSA-N 1 0 379.464 3.216 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cc(F)cc2c1OCOC2)C(C)C ZINC000170681840 1425295406 /nfs/dbraw/zinc/29/54/06/1425295406.db2.gz JQOROQBRRLQWKU-LJQANCHMSA-N 1 0 391.487 3.190 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000170713098 1425313584 /nfs/dbraw/zinc/31/35/84/1425313584.db2.gz METSSHGTGYPCMX-UHFFFAOYSA-N 1 0 387.911 3.250 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H]([NH+]4CCCC4)C3)sc2C1 ZINC000170743786 1425324478 /nfs/dbraw/zinc/32/44/78/1425324478.db2.gz VJHZKKGQAUCDAM-CVEARBPZSA-N 1 0 386.565 3.243 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H]([NH+]4CCCC4)C3)sc2C1 ZINC000170743790 1425324535 /nfs/dbraw/zinc/32/45/35/1425324535.db2.gz VJHZKKGQAUCDAM-HOTGVXAUSA-N 1 0 386.565 3.243 20 30 GGEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccnc(N2CCOCC2)c1 ZINC000170911489 1425388223 /nfs/dbraw/zinc/38/82/23/1425388223.db2.gz BZRBNCXKMXRCOR-UHFFFAOYSA-N 1 0 395.551 3.262 20 30 GGEDRO CC1(C)CN([C@@H](CNC(=[NH2+])Nc2ccccn2)c2ccc(Cl)cc2)CCO1 ZINC000170914974 1425389126 /nfs/dbraw/zinc/38/91/26/1425389126.db2.gz QVJRKPVDEVWKPS-KRWDZBQOSA-N 1 0 387.915 3.314 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nn(-c3ccc(C)cc3C)c3c2CCC3)CC1 ZINC000170946149 1425405046 /nfs/dbraw/zinc/40/50/46/1425405046.db2.gz IKKFBDHERPDXRC-UHFFFAOYSA-N 1 0 378.520 3.358 20 30 GGEDRO N#CCCN(C(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1)c1ccccc1 ZINC000170971818 1425422304 /nfs/dbraw/zinc/42/23/04/1425422304.db2.gz CELFIGVFYDXLRR-UHFFFAOYSA-N 1 0 381.451 3.368 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000171027456 1425445629 /nfs/dbraw/zinc/44/56/29/1425445629.db2.gz HEVLJQHPRCJGQS-UHFFFAOYSA-N 1 0 397.479 3.440 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Oc2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1 ZINC000171061688 1425461851 /nfs/dbraw/zinc/46/18/51/1425461851.db2.gz KIFUWXITRJIZEX-UHFFFAOYSA-N 1 0 376.456 3.498 20 30 GGEDRO Cc1ccccc1C(=O)C(C(=S)NCCc1ccccn1)[n+]1ccccc1 ZINC000171086669 1425475797 /nfs/dbraw/zinc/47/57/97/1425475797.db2.gz VOLDUSONSJIKSU-UHFFFAOYSA-O 1 0 376.505 3.449 20 30 GGEDRO CC1CC[NH+](Cc2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000171112940 1425489693 /nfs/dbraw/zinc/48/96/93/1425489693.db2.gz FHJRFEHHZMMMPN-UHFFFAOYSA-N 1 0 390.487 3.159 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000171142107 1425504453 /nfs/dbraw/zinc/50/44/53/1425504453.db2.gz YKNLTGQZMURYJJ-OALUTQOASA-N 1 0 385.508 3.024 20 30 GGEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000171226010 1425549580 /nfs/dbraw/zinc/54/95/80/1425549580.db2.gz CYYZZYUOEPBVOH-MRXNPFEDSA-N 1 0 398.482 3.442 20 30 GGEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3ccc(OCC#N)cc3)C2)CC1 ZINC000171370177 1425644631 /nfs/dbraw/zinc/64/46/31/1425644631.db2.gz OGVROYZFWNVACG-HXUWFJFHSA-N 1 0 384.524 3.242 20 30 GGEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000171440985 1425679277 /nfs/dbraw/zinc/67/92/77/1425679277.db2.gz UFRLVNOZFJYQSJ-OAQYLSRUSA-N 1 0 375.472 3.448 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000171468634 1425692425 /nfs/dbraw/zinc/69/24/25/1425692425.db2.gz JSZMBSUNPMASDA-UHFFFAOYSA-N 1 0 375.476 3.333 20 30 GGEDRO CC[N@H+](C)[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000171478352 1425699575 /nfs/dbraw/zinc/69/95/75/1425699575.db2.gz BLACAFVQBNXNAC-JOCHJYFZSA-N 1 0 376.504 3.290 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nn(-c3ccc(CC)cc3)c3c2CCC3)CC1 ZINC000171605908 1425756446 /nfs/dbraw/zinc/75/64/46/1425756446.db2.gz VYKVFKPHGAMTGT-UHFFFAOYSA-N 1 0 378.520 3.304 20 30 GGEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000171604510 1425756476 /nfs/dbraw/zinc/75/64/76/1425756476.db2.gz ZCBHPSVXBISTID-QGZVFWFLSA-N 1 0 381.442 3.477 20 30 GGEDRO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611651 1425758090 /nfs/dbraw/zinc/75/80/90/1425758090.db2.gz FTPNCIXAWAGZHK-QGZVFWFLSA-N 1 0 392.544 3.050 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SC(F)F)CC1 ZINC000171621015 1425761260 /nfs/dbraw/zinc/76/12/60/1425761260.db2.gz HBYWYWFGSSICPU-UHFFFAOYSA-N 1 0 383.464 3.097 20 30 GGEDRO Cc1noc([C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000171631714 1425766023 /nfs/dbraw/zinc/76/60/23/1425766023.db2.gz GCRSCGHCMLASDB-ZDUSSCGKSA-N 1 0 385.493 3.008 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1 ZINC000171677096 1425786345 /nfs/dbraw/zinc/78/63/45/1425786345.db2.gz JYXLLENGLVEEDL-KRWDZBQOSA-N 1 0 377.460 3.155 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CCC[C@@H]2C[NH+]2CCCC2)sc2c1CCCC2 ZINC000171707790 1425798552 /nfs/dbraw/zinc/79/85/52/1425798552.db2.gz VFKYXDMONJKPAP-MRXNPFEDSA-N 1 0 386.565 3.387 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000171714678 1425801107 /nfs/dbraw/zinc/80/11/07/1425801107.db2.gz JCKPKIYZVGVPKF-LJQANCHMSA-N 1 0 391.924 3.035 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000171715637 1425801127 /nfs/dbraw/zinc/80/11/27/1425801127.db2.gz HBFHUZBTWJGQQP-HNNXBMFYSA-N 1 0 396.318 3.113 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)CC1 ZINC000171717766 1425801608 /nfs/dbraw/zinc/80/16/08/1425801608.db2.gz WJQCUDKNCILJGV-SFHVURJKSA-N 1 0 384.524 3.006 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC1 ZINC000171718027 1425802350 /nfs/dbraw/zinc/80/23/50/1425802350.db2.gz BIOMWRFJRBCVHR-UHFFFAOYSA-N 1 0 386.446 3.019 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CC1 ZINC000171719528 1425802709 /nfs/dbraw/zinc/80/27/09/1425802709.db2.gz LRZYHIJBXBUGNN-UHFFFAOYSA-N 1 0 393.466 3.182 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000171721846 1425803350 /nfs/dbraw/zinc/80/33/50/1425803350.db2.gz MGTHNUPPKDDEKR-UHFFFAOYSA-N 1 0 390.487 3.294 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)CC1 ZINC000171721384 1425803392 /nfs/dbraw/zinc/80/33/92/1425803392.db2.gz LETKDNBGTBAWKB-UHFFFAOYSA-N 1 0 389.503 3.498 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)CC1 ZINC000171722594 1425803485 /nfs/dbraw/zinc/80/34/85/1425803485.db2.gz VYWZWJGIBYYWHO-UHFFFAOYSA-N 1 0 390.487 3.294 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000171722847 1425803513 /nfs/dbraw/zinc/80/35/13/1425803513.db2.gz PIIJJVDFYXSAPU-UHFFFAOYSA-N 1 0 391.943 3.338 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000171721742 1425803554 /nfs/dbraw/zinc/80/35/54/1425803554.db2.gz VORZBLGZIKMSFV-UHFFFAOYSA-N 1 0 380.464 3.118 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)CC1 ZINC000171730241 1425805711 /nfs/dbraw/zinc/80/57/11/1425805711.db2.gz AWBITSFGQLGZAQ-UHFFFAOYSA-N 1 0 384.455 3.463 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CC1 ZINC000171739630 1425808048 /nfs/dbraw/zinc/80/80/48/1425808048.db2.gz RJUSNRIJHAOGDQ-UHFFFAOYSA-N 1 0 376.888 3.239 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC1 ZINC000171741039 1425808603 /nfs/dbraw/zinc/80/86/03/1425808603.db2.gz WOIYEXVJIVBESN-UHFFFAOYSA-N 1 0 399.514 3.440 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)CC1 ZINC000171741707 1425808651 /nfs/dbraw/zinc/80/86/51/1425808651.db2.gz MTMXHLZZTYEJCR-KRWDZBQOSA-N 1 0 384.524 3.473 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(CCc2ccccc2)Cc2cccnc2)CC1 ZINC000171741748 1425809145 /nfs/dbraw/zinc/80/91/45/1425809145.db2.gz GKSATPHUXHLZHP-UHFFFAOYSA-N 1 0 378.520 3.486 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000171741868 1425809208 /nfs/dbraw/zinc/80/92/08/1425809208.db2.gz AFOQAZXFOQQESM-FQEVSTJZSA-N 1 0 375.488 3.167 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000171780909 1425818910 /nfs/dbraw/zinc/81/89/10/1425818910.db2.gz QFCUTIXHAFDSOF-FQEVSTJZSA-N 1 0 391.943 3.445 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000171842495 1425833154 /nfs/dbraw/zinc/83/31/54/1425833154.db2.gz UBGISEODACRMHP-INIZCTEOSA-N 1 0 388.537 3.012 20 30 GGEDRO CCOC(=O)[C@H](c1ccccc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000171945287 1425858759 /nfs/dbraw/zinc/85/87/59/1425858759.db2.gz SKVHUTQIKGWSPV-QFIPXVFZSA-N 1 0 377.488 3.370 20 30 GGEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000171962365 1425862788 /nfs/dbraw/zinc/86/27/88/1425862788.db2.gz ZBPQKEMYENUSOI-LJQANCHMSA-N 1 0 396.878 3.278 20 30 GGEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000172112347 1425899373 /nfs/dbraw/zinc/89/93/73/1425899373.db2.gz DWDOUARWRDKERQ-UHFFFAOYSA-N 1 0 398.528 3.163 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCOc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 ZINC000172114845 1425900398 /nfs/dbraw/zinc/90/03/98/1425900398.db2.gz LWYQPOXYIGAIJH-UHFFFAOYSA-N 1 0 390.443 3.361 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H](C)C1 ZINC000172166562 1425929852 /nfs/dbraw/zinc/92/98/52/1425929852.db2.gz UVKGWELAFUFYRL-XMSQKQJNSA-N 1 0 398.551 3.369 20 30 GGEDRO C=CCSCCNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000172335580 1426004339 /nfs/dbraw/zinc/00/43/39/1426004339.db2.gz XKHFUGFUBBTSST-UHFFFAOYSA-N 1 0 389.565 3.425 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000172349793 1426012150 /nfs/dbraw/zinc/01/21/50/1426012150.db2.gz HLJAXOPXZUIRLT-UHFFFAOYSA-N 1 0 378.398 3.271 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)cc1 ZINC000172384072 1426021673 /nfs/dbraw/zinc/02/16/73/1426021673.db2.gz RPQHDJWJYQPPEV-JOCHJYFZSA-N 1 0 390.487 3.091 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)c(OC)c1 ZINC000172585083 1426098931 /nfs/dbraw/zinc/09/89/31/1426098931.db2.gz PMYONIWLRMYNLV-NRFANRHFSA-N 1 0 388.552 3.114 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nnc2ccccn21 ZINC000172613922 1426114398 /nfs/dbraw/zinc/11/43/98/1426114398.db2.gz BSBPMKKVRQTQLH-CYBMUJFWSA-N 1 0 394.504 3.221 20 30 GGEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172759772 1426175425 /nfs/dbraw/zinc/17/54/25/1426175425.db2.gz WQFLHYOEARLDQJ-AWEZNQCLSA-N 1 0 388.874 3.448 20 30 GGEDRO C#CCNC(=O)c1ccc(NCc2ccccc2C[N@H+](C)Cc2ccco2)nc1 ZINC000172766236 1426178175 /nfs/dbraw/zinc/17/81/75/1426178175.db2.gz IJXQZJVVNLQONN-UHFFFAOYSA-N 1 0 388.471 3.282 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)c1 ZINC000172788155 1426188359 /nfs/dbraw/zinc/18/83/59/1426188359.db2.gz YPXBVVNXCXJZCX-OAQYLSRUSA-N 1 0 377.444 3.427 20 30 GGEDRO C=CCn1c(=S)n(CN2CC[C@H](C[NH+]3CCCCC3)C2)nc1-c1cccnc1 ZINC000172958263 1426284072 /nfs/dbraw/zinc/28/40/72/1426284072.db2.gz RSPNLADCWAGPKI-GOSISDBHSA-N 1 0 398.580 3.427 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000173105585 1426344362 /nfs/dbraw/zinc/34/43/62/1426344362.db2.gz DUYSYUZVQFYANF-UHFFFAOYSA-N 1 0 391.924 3.484 20 30 GGEDRO C[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)C[NH+]1CCN(C)CC1 ZINC000173121952 1426351937 /nfs/dbraw/zinc/35/19/37/1426351937.db2.gz OXZNOJZVJASGAN-IRXDYDNUSA-N 1 0 389.569 3.086 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000173199640 1426388784 /nfs/dbraw/zinc/38/87/84/1426388784.db2.gz ZGBRLWSPCMTZIS-KRWDZBQOSA-N 1 0 376.932 3.258 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000173199628 1426389084 /nfs/dbraw/zinc/38/90/84/1426389084.db2.gz ZGBRLWSPCMTZIS-QGZVFWFLSA-N 1 0 376.932 3.258 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)ccc2NC1=O ZINC000173225061 1426409581 /nfs/dbraw/zinc/40/95/81/1426409581.db2.gz YVXKDRIWMSRQSI-NJSLBKSFSA-N 1 0 392.459 3.346 20 30 GGEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)ccc2NC1=O ZINC000173228974 1426413317 /nfs/dbraw/zinc/41/33/17/1426413317.db2.gz UNSCNWXVKDCXFU-RLFYNMQTSA-N 1 0 398.507 3.178 20 30 GGEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000173261584 1426440008 /nfs/dbraw/zinc/44/00/08/1426440008.db2.gz LHNYULFIKRBRLU-KRWDZBQOSA-N 1 0 398.482 3.238 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1 ZINC000173271918 1426449800 /nfs/dbraw/zinc/44/98/00/1426449800.db2.gz IYTCZNIATHDOJN-UHFFFAOYSA-N 1 0 393.487 3.492 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000173272007 1426450435 /nfs/dbraw/zinc/45/04/35/1426450435.db2.gz ADEFEWMVJOGYJS-UHFFFAOYSA-N 1 0 387.427 3.004 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000173276682 1426454899 /nfs/dbraw/zinc/45/48/99/1426454899.db2.gz SKTJBHUOKDCHSQ-UHFFFAOYSA-N 1 0 379.460 3.184 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000173276510 1426455222 /nfs/dbraw/zinc/45/52/22/1426455222.db2.gz QVEKWFOGJXBULV-UHFFFAOYSA-N 1 0 379.460 3.184 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccn(CCC#N)n3)cc2)C1 ZINC000173354938 1426530815 /nfs/dbraw/zinc/53/08/15/1426530815.db2.gz DKCRTMGIPWRNTL-KRWDZBQOSA-N 1 0 380.496 3.350 20 30 GGEDRO CC1CC[NH+]([C@@H](CNC(=O)Nc2ccn(CCC#N)n2)c2cccs2)CC1 ZINC000173360614 1426535052 /nfs/dbraw/zinc/53/50/52/1426535052.db2.gz SCTSMKCWECYGOO-INIZCTEOSA-N 1 0 386.525 3.453 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccn(CCC#N)n1)c1cccc(OC)c1 ZINC000173377005 1426550764 /nfs/dbraw/zinc/55/07/64/1426550764.db2.gz ZCEDXBLAJTWOBT-GOSISDBHSA-N 1 0 384.484 3.010 20 30 GGEDRO CCc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000173419230 1426601747 /nfs/dbraw/zinc/60/17/47/1426601747.db2.gz DIAWZAWDNGWDAA-UHFFFAOYSA-N 1 0 380.448 3.233 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(NS(=O)(=O)CCC)c2)CC1 ZINC000173437811 1426618460 /nfs/dbraw/zinc/61/84/60/1426618460.db2.gz YHOINJBJPWKKJT-UHFFFAOYSA-N 1 0 394.541 3.000 20 30 GGEDRO C=CCn1c(-c2ccco2)nn(CN2CC[C@H](C[N@@H+](C)CCC)C2)c1=S ZINC000173445582 1426625152 /nfs/dbraw/zinc/62/51/52/1426625152.db2.gz WOKJZVONLZSCJR-MRXNPFEDSA-N 1 0 375.542 3.481 20 30 GGEDRO N#Cc1ccc(-c2nnc(CN3CCC[N@@H+](Cc4ccc(F)cc4)CC3)o2)cc1 ZINC000173469553 1426644282 /nfs/dbraw/zinc/64/42/82/1426644282.db2.gz BKXXQEADQQKZMY-UHFFFAOYSA-N 1 0 391.450 3.455 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000173516842 1426688498 /nfs/dbraw/zinc/68/84/98/1426688498.db2.gz KYJKNYLAAWGDOI-SFHVURJKSA-N 1 0 393.487 3.069 20 30 GGEDRO COc1ccc(OCC[N@@H+]2CCCN(c3ccccc3C#N)CC2)c([N+](=O)[O-])c1 ZINC000173524383 1426697505 /nfs/dbraw/zinc/69/75/05/1426697505.db2.gz SFNTZXCSKOJZTE-UHFFFAOYSA-N 1 0 396.447 3.066 20 30 GGEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173573828 1426741308 /nfs/dbraw/zinc/74/13/08/1426741308.db2.gz HDUBEYRCDPWXQG-CRAIPNDOSA-N 1 0 381.480 3.125 20 30 GGEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173573817 1426741443 /nfs/dbraw/zinc/74/14/43/1426741443.db2.gz HDUBEYRCDPWXQG-YJBOKZPZSA-N 1 0 381.480 3.125 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)CC1 ZINC000173580505 1426745900 /nfs/dbraw/zinc/74/59/00/1426745900.db2.gz OILACJFXENJWKP-UHFFFAOYSA-N 1 0 385.487 3.300 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173592588 1426756357 /nfs/dbraw/zinc/75/63/57/1426756357.db2.gz JMUFTBSZBFZPNS-VQTJNVASSA-N 1 0 398.551 3.138 20 30 GGEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000173651783 1426810696 /nfs/dbraw/zinc/81/06/96/1426810696.db2.gz ZOJKDGBXVKKILZ-KRWDZBQOSA-N 1 0 381.442 3.430 20 30 GGEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000173651804 1426810947 /nfs/dbraw/zinc/81/09/47/1426810947.db2.gz ZOJKDGBXVKKILZ-QGZVFWFLSA-N 1 0 381.442 3.430 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000173787631 1426851322 /nfs/dbraw/zinc/85/13/22/1426851322.db2.gz QIFKTMHAOUQJII-UHFFFAOYSA-N 1 0 385.439 3.100 20 30 GGEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000173853866 1426871770 /nfs/dbraw/zinc/87/17/70/1426871770.db2.gz AZQZKKAZZBJOFJ-QGZVFWFLSA-N 1 0 383.517 3.371 20 30 GGEDRO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCCSCC#N)CC3)n2)cc1 ZINC000173867209 1426875685 /nfs/dbraw/zinc/87/56/85/1426875685.db2.gz HGQJCRUTNDTJNB-QGZVFWFLSA-N 1 0 385.537 3.371 20 30 GGEDRO N#CCCN(C(=O)CN1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000173868160 1426876138 /nfs/dbraw/zinc/87/61/38/1426876138.db2.gz YHFKQUYCRWSSMR-SFHVURJKSA-N 1 0 388.943 3.394 20 30 GGEDRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000173871204 1426877140 /nfs/dbraw/zinc/87/71/40/1426877140.db2.gz GKDCVZWFXWRDIJ-ROUUACIJSA-N 1 0 383.521 3.288 20 30 GGEDRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000173871235 1426877214 /nfs/dbraw/zinc/87/72/14/1426877214.db2.gz GKDCVZWFXWRDIJ-MSOLQXFVSA-N 1 0 383.521 3.288 20 30 GGEDRO N#CCSCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000173880583 1426880213 /nfs/dbraw/zinc/88/02/13/1426880213.db2.gz NNCFXMFLVRDRGL-UHFFFAOYSA-N 1 0 388.415 3.382 20 30 GGEDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000173900508 1426884977 /nfs/dbraw/zinc/88/49/77/1426884977.db2.gz QEXSIRDERRSUNV-IBGZPJMESA-N 1 0 393.535 3.178 20 30 GGEDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000173922464 1426893200 /nfs/dbraw/zinc/89/32/00/1426893200.db2.gz NCPCPJJXQRMXFQ-QGZVFWFLSA-N 1 0 376.932 3.169 20 30 GGEDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000173947486 1426905025 /nfs/dbraw/zinc/90/50/25/1426905025.db2.gz PQBQMNBIVVUELK-GOSISDBHSA-N 1 0 376.932 3.393 20 30 GGEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000173947501 1426905055 /nfs/dbraw/zinc/90/50/55/1426905055.db2.gz PQBQMNBIVVUELK-SFHVURJKSA-N 1 0 376.932 3.393 20 30 GGEDRO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CCN(c2ccccn2)CC1 ZINC000173972299 1426917670 /nfs/dbraw/zinc/91/76/70/1426917670.db2.gz HOEQJSIZZJVVNI-UHFFFAOYSA-N 1 0 377.492 3.130 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173977231 1426921265 /nfs/dbraw/zinc/92/12/65/1426921265.db2.gz DWDXILPHXSGMJH-CTNGQTDRSA-N 1 0 382.552 3.171 20 30 GGEDRO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)c1ccccc1 ZINC000173984437 1426927222 /nfs/dbraw/zinc/92/72/22/1426927222.db2.gz WPYZDYSVLYRYQK-OAQYLSRUSA-N 1 0 377.488 3.472 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C(F)(F)F ZINC000174096968 1427000832 /nfs/dbraw/zinc/00/08/32/1427000832.db2.gz JUBFCLNWAIYLHE-CQSZACIVSA-N 1 0 396.413 3.153 20 30 GGEDRO CC(C)CO[C@@H](C)c1noc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000174107260 1427005501 /nfs/dbraw/zinc/00/55/01/1427005501.db2.gz ZFWWQNFJNHWDGV-GKXUUXLPSA-N 1 0 388.468 3.191 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1C#N ZINC000174124063 1427011542 /nfs/dbraw/zinc/01/15/42/1427011542.db2.gz JKJDSFAVZBCAAD-SFHVURJKSA-N 1 0 392.503 3.405 20 30 GGEDRO NC(=[NH+]OCc1cccc2cccnc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000174125841 1427012265 /nfs/dbraw/zinc/01/22/65/1427012265.db2.gz HGXFSAJIDKSSMR-UHFFFAOYSA-N 1 0 376.460 3.033 20 30 GGEDRO CN(C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N)C(=O)OC(C)(C)C ZINC000174286943 1427085866 /nfs/dbraw/zinc/08/58/66/1427085866.db2.gz JLBATIMHKOUKAN-OAHLLOKOSA-N 1 0 392.525 3.280 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000174326135 1427103063 /nfs/dbraw/zinc/10/30/63/1427103063.db2.gz CYVQAIHRXCOZNC-UHFFFAOYSA-N 1 0 393.896 3.261 20 30 GGEDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)C(=O)N1CCc2sccc2C1 ZINC000174337938 1427109081 /nfs/dbraw/zinc/10/90/81/1427109081.db2.gz GNXUMCBDAYCHBX-SFHVURJKSA-N 1 0 383.517 3.472 20 30 GGEDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)C(=O)N1CCc2sccc2C1 ZINC000174337952 1427109124 /nfs/dbraw/zinc/10/91/24/1427109124.db2.gz GNXUMCBDAYCHBX-GOSISDBHSA-N 1 0 383.517 3.472 20 30 GGEDRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C(=O)c1cccc(F)c1 ZINC000174350624 1427115238 /nfs/dbraw/zinc/11/52/38/1427115238.db2.gz FSKYZTQSKVZJKR-KRWDZBQOSA-N 1 0 395.478 3.497 20 30 GGEDRO COc1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1C#N ZINC000174356694 1427117574 /nfs/dbraw/zinc/11/75/74/1427117574.db2.gz AYOXMZGGOUHLNE-FQEVSTJZSA-N 1 0 385.895 3.383 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1C#N ZINC000174566897 1427227491 /nfs/dbraw/zinc/22/74/91/1427227491.db2.gz UAIGFCUUTMBVTG-UHFFFAOYSA-N 1 0 382.508 3.110 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccccc1 ZINC000174579001 1427237377 /nfs/dbraw/zinc/23/73/77/1427237377.db2.gz XHQMBQNHISTTLB-HXUWFJFHSA-N 1 0 378.476 3.005 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000174682521 1427307489 /nfs/dbraw/zinc/30/74/89/1427307489.db2.gz JNKCDMISXDPTTG-UHFFFAOYSA-N 1 0 376.932 3.276 20 30 GGEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C)c1C#N ZINC000174703671 1427319147 /nfs/dbraw/zinc/31/91/47/1427319147.db2.gz ILEBGQGGVKTRPJ-UHFFFAOYSA-N 1 0 398.532 3.237 20 30 GGEDRO CC[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[N@@H+]1C[C@@H](C)O ZINC000174733553 1427338240 /nfs/dbraw/zinc/33/82/40/1427338240.db2.gz YFZTXUYGIRPKEJ-TZMCWYRMSA-N 1 0 376.863 3.180 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000174777176 1427361612 /nfs/dbraw/zinc/36/16/12/1427361612.db2.gz BSBHFPSXAKUUQQ-QGZVFWFLSA-N 1 0 390.959 3.379 20 30 GGEDRO C#Cc1cccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)c1 ZINC000174785735 1427366772 /nfs/dbraw/zinc/36/67/72/1427366772.db2.gz DQSYTCLQXOAKHB-UHFFFAOYSA-N 1 0 378.476 3.462 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174794048 1427372101 /nfs/dbraw/zinc/37/21/01/1427372101.db2.gz JITUSUUIHHOHRG-UHFFFAOYSA-N 1 0 386.496 3.066 20 30 GGEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)c2)CC1 ZINC000174840744 1427399308 /nfs/dbraw/zinc/39/93/08/1427399308.db2.gz PGBOZEYKQAHHHG-FQEVSTJZSA-N 1 0 382.895 3.082 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000174930781 1427451442 /nfs/dbraw/zinc/45/14/42/1427451442.db2.gz XSGBADMPKVFFGB-IBGZPJMESA-N 1 0 380.488 3.474 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000174930799 1427451623 /nfs/dbraw/zinc/45/16/23/1427451623.db2.gz XSGBADMPKVFFGB-LJQANCHMSA-N 1 0 380.488 3.474 20 30 GGEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000174935855 1427453605 /nfs/dbraw/zinc/45/36/05/1427453605.db2.gz IEGHHCLUCKTZJM-OAQYLSRUSA-N 1 0 377.488 3.112 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1C#N ZINC000174938942 1427456119 /nfs/dbraw/zinc/45/61/19/1427456119.db2.gz OJTJRIUPCJRTSC-INIZCTEOSA-N 1 0 378.476 3.051 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175026001 1427506615 /nfs/dbraw/zinc/50/66/15/1427506615.db2.gz YJRAOJIZFUIZGX-UHFFFAOYSA-N 1 0 393.487 3.069 20 30 GGEDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175026379 1427507024 /nfs/dbraw/zinc/50/70/24/1427507024.db2.gz YSRBYUASNXICEZ-UHFFFAOYSA-N 1 0 394.437 3.208 20 30 GGEDRO COC(=O)c1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000175043694 1427516236 /nfs/dbraw/zinc/51/62/36/1427516236.db2.gz CGCPOIPUTPQEIJ-UHFFFAOYSA-N 1 0 394.475 3.249 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175170078 1427579924 /nfs/dbraw/zinc/57/99/24/1427579924.db2.gz WZOMRYUURONCBM-FQEVSTJZSA-N 1 0 390.487 3.171 20 30 GGEDRO N#CCSCC(=O)O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000175184354 1427588176 /nfs/dbraw/zinc/58/81/76/1427588176.db2.gz AFVPYYFPIPNPFN-ROUUACIJSA-N 1 0 393.940 3.183 20 30 GGEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000175207089 1427601291 /nfs/dbraw/zinc/60/12/91/1427601291.db2.gz VPXYYLGQCAYOLL-IBGZPJMESA-N 1 0 398.532 3.337 20 30 GGEDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000175265995 1427634916 /nfs/dbraw/zinc/63/49/16/1427634916.db2.gz BSNKDGZVWJLRNA-DYESRHJHSA-N 1 0 388.471 3.158 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000175297357 1427655701 /nfs/dbraw/zinc/65/57/01/1427655701.db2.gz RWHRLXVATVYVJZ-UHFFFAOYSA-N 1 0 392.503 3.280 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(CC#N)c1 ZINC000175298954 1427657618 /nfs/dbraw/zinc/65/76/18/1427657618.db2.gz UWTBKNWJKVEFTA-UHFFFAOYSA-N 1 0 378.476 3.155 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/c1ccccc1C#N ZINC000175304462 1427663059 /nfs/dbraw/zinc/66/30/59/1427663059.db2.gz UJAZTDWYNMKEQP-DHZHZOJOSA-N 1 0 390.487 3.361 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175359108 1427704393 /nfs/dbraw/zinc/70/43/93/1427704393.db2.gz PAJNZOCGMCVJLA-MRXNPFEDSA-N 1 0 389.569 3.086 20 30 GGEDRO C[C@H](CCNC(=O)NCc1ccc(OCC#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000175450311 1427760777 /nfs/dbraw/zinc/76/07/77/1427760777.db2.gz LPZMVGHEGJYGSI-GOSISDBHSA-N 1 0 380.492 3.299 20 30 GGEDRO C[C@@H](CCNC(=O)NCc1ccc(OCC#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000175450293 1427761033 /nfs/dbraw/zinc/76/10/33/1427761033.db2.gz LPZMVGHEGJYGSI-SFHVURJKSA-N 1 0 380.492 3.299 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000175511151 1427798250 /nfs/dbraw/zinc/79/82/50/1427798250.db2.gz UWNIFOOZLPZOJG-QZTJIDSGSA-N 1 0 377.554 3.386 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000175513176 1427799695 /nfs/dbraw/zinc/79/96/95/1427799695.db2.gz KIMGFFFVSGUNND-CYBMUJFWSA-N 1 0 389.887 3.401 20 30 GGEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000175571799 1427819030 /nfs/dbraw/zinc/81/90/30/1427819030.db2.gz NVSGKSBHFVOJAO-SFHVURJKSA-N 1 0 392.482 3.046 20 30 GGEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000175571779 1427819142 /nfs/dbraw/zinc/81/91/42/1427819142.db2.gz NVSGKSBHFVOJAO-GOSISDBHSA-N 1 0 392.482 3.046 20 30 GGEDRO COC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(C)o1 ZINC000175661917 1427848440 /nfs/dbraw/zinc/84/84/40/1427848440.db2.gz DUPCLBZMCISPFJ-FQEVSTJZSA-N 1 0 396.491 3.065 20 30 GGEDRO CCO[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000175667831 1427850686 /nfs/dbraw/zinc/85/06/86/1427850686.db2.gz HTLKVGCDODXLQP-LEWJYISDSA-N 1 0 396.535 3.123 20 30 GGEDRO CCO[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000175667888 1427850820 /nfs/dbraw/zinc/85/08/20/1427850820.db2.gz HTLKVGCDODXLQP-RTWAWAEBSA-N 1 0 396.535 3.123 20 30 GGEDRO C[S@@](=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000175732940 1427872825 /nfs/dbraw/zinc/87/28/25/1427872825.db2.gz DKZICXBHKIKGBC-MUUNZHRXSA-N 1 0 396.516 3.035 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000175806364 1427900845 /nfs/dbraw/zinc/90/08/45/1427900845.db2.gz DPGLKORGJXOVPF-RBBKRZOGSA-N 1 0 389.536 3.205 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175845282 1427926543 /nfs/dbraw/zinc/92/65/43/1427926543.db2.gz QLDHVOJIASTUAE-YLJYHZDGSA-N 1 0 383.517 3.198 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175855028 1427934714 /nfs/dbraw/zinc/93/47/14/1427934714.db2.gz FHWPXQRHEZMPFM-UHFFFAOYSA-N 1 0 398.425 3.207 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175861992 1427938269 /nfs/dbraw/zinc/93/82/69/1427938269.db2.gz TUNQWGGQSJLBJX-KURKYZTESA-N 1 0 377.554 3.424 20 30 GGEDRO Cc1cccc2[nH]c(CCC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)nc21 ZINC000175911817 1427966440 /nfs/dbraw/zinc/96/64/40/1427966440.db2.gz JIWQZOSHBPKHQD-UHFFFAOYSA-N 1 0 389.503 3.266 20 30 GGEDRO CC(C)C1CCC([NH+]2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000175927180 1427977514 /nfs/dbraw/zinc/97/75/14/1427977514.db2.gz LQOHHMNFAQWUPC-HRTMPFAESA-N 1 0 385.552 3.130 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000175955041 1427995684 /nfs/dbraw/zinc/99/56/84/1427995684.db2.gz WCEHEOITCBAODN-UHFFFAOYSA-N 1 0 386.521 3.260 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000175955877 1427995694 /nfs/dbraw/zinc/99/56/94/1427995694.db2.gz YACGLFXLCWHFBH-JTHBVZDNSA-N 1 0 380.488 3.022 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000175955894 1427995722 /nfs/dbraw/zinc/99/57/22/1427995722.db2.gz YACGLFXLCWHFBH-GMAHTHKFSA-N 1 0 380.488 3.022 20 30 GGEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175970401 1428005012 /nfs/dbraw/zinc/00/50/12/1428005012.db2.gz ZKZYRAOIWXTROF-UHFFFAOYSA-N 1 0 396.466 3.006 20 30 GGEDRO CC[NH+]=C(NCc1c(C)noc1C)NCc1ccc(Br)c(F)c1 ZINC000175982089 1428011437 /nfs/dbraw/zinc/01/14/37/1428011437.db2.gz INEAOJHMFBEJAQ-UHFFFAOYSA-N 1 0 383.265 3.448 20 30 GGEDRO CN(C(=O)c1cccc(SCC#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000176035823 1428039407 /nfs/dbraw/zinc/03/94/07/1428039407.db2.gz VNMKNRIPHUWLGZ-UHFFFAOYSA-N 1 0 394.544 3.476 20 30 GGEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000176051595 1428051527 /nfs/dbraw/zinc/05/15/27/1428051527.db2.gz CHHAYEZYOOUEKT-QGZVFWFLSA-N 1 0 381.442 3.477 20 30 GGEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000176101286 1428082814 /nfs/dbraw/zinc/08/28/14/1428082814.db2.gz WDTLKAGBLDLNOC-KRWDZBQOSA-N 1 0 398.482 3.238 20 30 GGEDRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C ZINC000176115836 1428092299 /nfs/dbraw/zinc/09/22/99/1428092299.db2.gz KYKUTLKLYMLBCG-UHFFFAOYSA-N 1 0 398.429 3.141 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176119931 1428094924 /nfs/dbraw/zinc/09/49/24/1428094924.db2.gz OPFYWCPQBISUFI-GHTZIAJQSA-N 1 0 377.488 3.301 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000176212078 1428170991 /nfs/dbraw/zinc/17/09/91/1428170991.db2.gz OPYQFKQBLITBGV-OKZBNKHCSA-N 1 0 388.512 3.048 20 30 GGEDRO C[NH+]=C(NCc1c(C)noc1C)NCC1(c2cccc(Br)c2)CC1 ZINC000176243631 1428190082 /nfs/dbraw/zinc/19/00/82/1428190082.db2.gz AWSKOHWACIRAGD-UHFFFAOYSA-N 1 0 391.313 3.451 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000176244183 1428190198 /nfs/dbraw/zinc/19/01/98/1428190198.db2.gz RLSQEXKWUGDFIH-UHFFFAOYSA-N 1 0 375.563 3.403 20 30 GGEDRO Cc1cccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1Cl ZINC000180184015 1429789244 /nfs/dbraw/zinc/78/92/44/1429789244.db2.gz IHTCJNKHBHLCCE-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO Cn1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180205871 1429801591 /nfs/dbraw/zinc/80/15/91/1429801591.db2.gz ZZCAELMLTBCHTQ-GOSISDBHSA-N 1 0 381.480 3.058 20 30 GGEDRO CN1CCc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc21 ZINC000180209414 1429802415 /nfs/dbraw/zinc/80/24/15/1429802415.db2.gz AHUYQRUITQLORJ-UHFFFAOYSA-N 1 0 377.492 3.146 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1)C1CC1 ZINC000180308434 1429832175 /nfs/dbraw/zinc/83/21/75/1429832175.db2.gz ATMZMNYCWKHWHZ-UGKGYDQZSA-N 1 0 381.451 3.344 20 30 GGEDRO Cn1cc(C[NH2+]CCc2nnc(-c3ccccc3)o2)c(-c2ccc(C#N)cc2)n1 ZINC000180336396 1429838838 /nfs/dbraw/zinc/83/88/38/1429838838.db2.gz ZQGSALOVQALSIT-UHFFFAOYSA-N 1 0 384.443 3.341 20 30 GGEDRO COc1cc(NCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc(OC)c1 ZINC000180337771 1429839521 /nfs/dbraw/zinc/83/95/21/1429839521.db2.gz PSBVQCRJHHKOCG-UHFFFAOYSA-N 1 0 391.475 3.178 20 30 GGEDRO Cn1cc(C[NH2+]Cc2cccnc2OCC(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000180351763 1429843326 /nfs/dbraw/zinc/84/33/26/1429843326.db2.gz XOJWZHMUMYZUFO-UHFFFAOYSA-N 1 0 383.402 3.287 20 30 GGEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000180359236 1429845591 /nfs/dbraw/zinc/84/55/91/1429845591.db2.gz FOWQHHHRWFZMML-OAHLLOKOSA-N 1 0 388.537 3.008 20 30 GGEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)CC2(C#N)CC2)cc1 ZINC000180398810 1429857145 /nfs/dbraw/zinc/85/71/45/1429857145.db2.gz XUHBXVXKASEOGA-UHFFFAOYSA-N 1 0 383.517 3.138 20 30 GGEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)COc1ccccc1C#N ZINC000180446213 1429871391 /nfs/dbraw/zinc/87/13/91/1429871391.db2.gz UMBXOYVZVKQQQK-UHFFFAOYSA-N 1 0 378.476 3.097 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C)Cc2ccccc2C1 ZINC000180580609 1429909161 /nfs/dbraw/zinc/90/91/61/1429909161.db2.gz MJIBOQKNONVFGM-UHFFFAOYSA-N 1 0 390.531 3.437 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654995 1429959167 /nfs/dbraw/zinc/95/91/67/1429959167.db2.gz ZHIGBSSURSGBOQ-RXVVDRJESA-N 1 0 398.507 3.057 20 30 GGEDRO N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000180711608 1429993633 /nfs/dbraw/zinc/99/36/33/1429993633.db2.gz WGNPMUFMJFNANL-HSZRJFAPSA-N 1 0 389.499 3.485 20 30 GGEDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000180733330 1430006488 /nfs/dbraw/zinc/00/64/88/1430006488.db2.gz NNOUUWPISZCDGJ-UHFFFAOYSA-N 1 0 384.524 3.166 20 30 GGEDRO Cc1c([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cnn1-c1cccc(Cl)c1 ZINC000180869460 1430078434 /nfs/dbraw/zinc/07/84/34/1430078434.db2.gz OGOUNFBROFFSPR-UUPHZHHOSA-N 1 0 399.882 3.011 20 30 GGEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180869484 1430078464 /nfs/dbraw/zinc/07/84/64/1430078464.db2.gz JHAFDFRMWFGXQT-JPWUFHEYSA-N 1 0 382.489 3.296 20 30 GGEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180869508 1430078873 /nfs/dbraw/zinc/07/88/73/1430078873.db2.gz JHAFDFRMWFGXQT-HDRCJFCASA-N 1 0 382.489 3.296 20 30 GGEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(SCC(F)F)cc1 ZINC000180880948 1430086145 /nfs/dbraw/zinc/08/61/45/1430086145.db2.gz OANZKSUCXSSXGR-NUMWXTGKSA-N 1 0 381.448 3.221 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000180882979 1430087287 /nfs/dbraw/zinc/08/72/87/1430087287.db2.gz NUPNCTFJLJBUGO-HNNXBMFYSA-N 1 0 390.352 3.353 20 30 GGEDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000180898622 1430096788 /nfs/dbraw/zinc/09/67/88/1430096788.db2.gz SLUOGSLXYATPDG-KRWDZBQOSA-N 1 0 392.503 3.063 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1Cl ZINC000180948170 1430130204 /nfs/dbraw/zinc/13/02/04/1430130204.db2.gz CAIDQIKDLZUGRC-MRXNPFEDSA-N 1 0 387.892 3.385 20 30 GGEDRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000180964280 1430140046 /nfs/dbraw/zinc/14/00/46/1430140046.db2.gz OVARSZYRDGUNLC-QFIPXVFZSA-N 1 0 381.524 3.290 20 30 GGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000180968983 1430142071 /nfs/dbraw/zinc/14/20/71/1430142071.db2.gz BFCHMNXZGHONGF-JKSUJKDBSA-N 1 0 396.553 3.047 20 30 GGEDRO C=CCNC(=O)C[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 ZINC000181130228 1430220028 /nfs/dbraw/zinc/22/00/28/1430220028.db2.gz NXIVQFPOQWTIOL-UHFFFAOYSA-N 1 0 378.451 3.379 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000181175324 1430237882 /nfs/dbraw/zinc/23/78/82/1430237882.db2.gz YIYJPGGYPDFJQF-YJBOKZPZSA-N 1 0 388.899 3.398 20 30 GGEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000181213984 1430249189 /nfs/dbraw/zinc/24/91/89/1430249189.db2.gz KYXKVPTUMKGHKW-AWEZNQCLSA-N 1 0 396.434 3.316 20 30 GGEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000181214177 1430249229 /nfs/dbraw/zinc/24/92/29/1430249229.db2.gz DQILIFZTGLRRGH-AWEZNQCLSA-N 1 0 396.434 3.316 20 30 GGEDRO CO/N=C/c1ccc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000181246279 1430255999 /nfs/dbraw/zinc/25/59/99/1430255999.db2.gz GREJKCNWXFNLBJ-JJIBRWJFSA-N 1 0 380.492 3.441 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181272645 1430260585 /nfs/dbraw/zinc/26/05/85/1430260585.db2.gz XTVUIKFLGYWPPK-HZPDHXFCSA-N 1 0 384.480 3.025 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H](O)C(F)(F)F ZINC000181293038 1430265258 /nfs/dbraw/zinc/26/52/58/1430265258.db2.gz DRRFUZKDWMDEKA-AWEZNQCLSA-N 1 0 389.443 3.072 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(COC)nn3C2)cc1 ZINC000181293691 1430265311 /nfs/dbraw/zinc/26/53/11/1430265311.db2.gz YNQKVSRJPFSQMT-ZBFHGGJFSA-N 1 0 376.888 3.221 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccccc1C#N ZINC000181302270 1430267785 /nfs/dbraw/zinc/26/77/85/1430267785.db2.gz VCBNIZQBYJOJMV-LSDHHAIUSA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1cccc(C#N)c1 ZINC000181309466 1430269690 /nfs/dbraw/zinc/26/96/90/1430269690.db2.gz CWFBVQCOXUMDBU-GJZGRUSLSA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1cccc(C#N)c1 ZINC000181309501 1430269723 /nfs/dbraw/zinc/26/97/23/1430269723.db2.gz CWFBVQCOXUMDBU-LSDHHAIUSA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000181315804 1430271104 /nfs/dbraw/zinc/27/11/04/1430271104.db2.gz QNQNUQZXJKLVGE-KRWDZBQOSA-N 1 0 392.459 3.241 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1C#N ZINC000181399881 1430289124 /nfs/dbraw/zinc/28/91/24/1430289124.db2.gz RSXZOSZFIWVMBJ-JKSUJKDBSA-N 1 0 376.460 3.363 20 30 GGEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)N2CCOCC2)cc1OC ZINC000181415264 1430292413 /nfs/dbraw/zinc/29/24/13/1430292413.db2.gz NDGXKTHNQCGINN-LAUBAEHRSA-N 1 0 395.503 3.300 20 30 GGEDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)N2CCOCC2)cc1OC ZINC000181415284 1430292514 /nfs/dbraw/zinc/29/25/14/1430292514.db2.gz NDGXKTHNQCGINN-DYESRHJHSA-N 1 0 395.503 3.300 20 30 GGEDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)N2CCOCC2)cc1OC ZINC000181415243 1430292525 /nfs/dbraw/zinc/29/25/25/1430292525.db2.gz NDGXKTHNQCGINN-UTKZUKDTSA-N 1 0 395.503 3.300 20 30 GGEDRO COc1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000181416182 1430292783 /nfs/dbraw/zinc/29/27/83/1430292783.db2.gz PTWJUOVNWLJEKA-UHFFFAOYSA-N 1 0 395.503 3.338 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c(C#N)c1C ZINC000181417956 1430293278 /nfs/dbraw/zinc/29/32/78/1430293278.db2.gz PYSNLSUPUUIDPX-AWEZNQCLSA-N 1 0 380.448 3.184 20 30 GGEDRO C[C@@H]1CN(C(C)(C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000181425261 1430295865 /nfs/dbraw/zinc/29/58/65/1430295865.db2.gz DLYLBTVRYXVPKM-KDURUIRLSA-N 1 0 384.568 3.000 20 30 GGEDRO C[C@@H]([NH2+]CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000181449098 1430302123 /nfs/dbraw/zinc/30/21/23/1430302123.db2.gz JPRPDUXQFOOECP-GOSISDBHSA-N 1 0 382.483 3.201 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](CCO)C(C)(C)C)c1C#N ZINC000181465343 1430305445 /nfs/dbraw/zinc/30/54/45/1430305445.db2.gz AWROGIMTDCWRHO-IBGZPJMESA-N 1 0 382.508 3.291 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](CCO)C(C)(C)C)c1C#N ZINC000181465370 1430305543 /nfs/dbraw/zinc/30/55/43/1430305543.db2.gz AWROGIMTDCWRHO-LJQANCHMSA-N 1 0 382.508 3.291 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181484813 1430308648 /nfs/dbraw/zinc/30/86/48/1430308648.db2.gz ALKIURKKMPGCGT-APWZRJJASA-N 1 0 385.556 3.115 20 30 GGEDRO CCCN1c2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2CCC1=O ZINC000181492008 1430310142 /nfs/dbraw/zinc/31/01/42/1430310142.db2.gz MIINYYJWWNPKGR-UHFFFAOYSA-N 1 0 385.512 3.075 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000181516828 1430313700 /nfs/dbraw/zinc/31/37/00/1430313700.db2.gz JWKZLQFNLVHDDG-LAUBAEHRSA-N 1 0 394.560 3.104 20 30 GGEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000181594659 1430325385 /nfs/dbraw/zinc/32/53/85/1430325385.db2.gz VRNHFBPTJFMULM-KRWDZBQOSA-N 1 0 397.544 3.277 20 30 GGEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000181606612 1430326894 /nfs/dbraw/zinc/32/68/94/1430326894.db2.gz NTNAYUUHBWRFTI-CRAIPNDOSA-N 1 0 396.457 3.048 20 30 GGEDRO CC(C)CC(=O)N1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181620281 1430329238 /nfs/dbraw/zinc/32/92/38/1430329238.db2.gz KCCBOAHZFOWMIQ-UHFFFAOYSA-N 1 0 382.552 3.149 20 30 GGEDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181635862 1430332296 /nfs/dbraw/zinc/33/22/96/1430332296.db2.gz VYSGDTDJKDQTIN-QGZVFWFLSA-N 1 0 377.488 3.451 20 30 GGEDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC#N)cc1 ZINC000181638287 1430332799 /nfs/dbraw/zinc/33/27/99/1430332799.db2.gz RURGZSDXIHRWQG-AVRDEDQJSA-N 1 0 377.488 3.473 20 30 GGEDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000181661841 1430337382 /nfs/dbraw/zinc/33/73/82/1430337382.db2.gz FSDDPWGMBHMFJK-UHFFFAOYSA-N 1 0 398.429 3.190 20 30 GGEDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181739172 1430350730 /nfs/dbraw/zinc/35/07/30/1430350730.db2.gz UXESAOVJLARYLB-UGKGYDQZSA-N 1 0 379.504 3.183 20 30 GGEDRO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000181784452 1430359363 /nfs/dbraw/zinc/35/93/63/1430359363.db2.gz JWQXSOXSKBRNKT-ZEYPLWLESA-N 1 0 379.504 3.123 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000181800312 1430363241 /nfs/dbraw/zinc/36/32/41/1430363241.db2.gz KJABCCVOXYOFFW-NRFANRHFSA-N 1 0 398.551 3.416 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181807220 1430364619 /nfs/dbraw/zinc/36/46/19/1430364619.db2.gz WQKBXXDQDNTZBH-VQTJNVASSA-N 1 0 378.520 3.450 20 30 GGEDRO CN(CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Cc1ccc(F)cc1 ZINC000181856368 1430372955 /nfs/dbraw/zinc/37/29/55/1430372955.db2.gz JPQYXEGCRXQVKW-UHFFFAOYSA-N 1 0 380.511 3.383 20 30 GGEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000181861340 1430373539 /nfs/dbraw/zinc/37/35/39/1430373539.db2.gz LEDQUMFJPJMGKU-QGZVFWFLSA-N 1 0 383.517 3.283 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000181890020 1430378564 /nfs/dbraw/zinc/37/85/64/1430378564.db2.gz RFKWXNYLWZMUJM-RXVVDRJESA-N 1 0 377.488 3.473 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(C(=O)C4CCCCC4)C3)CC2)cc1 ZINC000181899888 1430380229 /nfs/dbraw/zinc/38/02/29/1430380229.db2.gz GYUPPTFVGSGKBR-HSZRJFAPSA-N 1 0 394.563 3.293 20 30 GGEDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181929301 1430385017 /nfs/dbraw/zinc/38/50/17/1430385017.db2.gz MGVQXSMINBBIJA-QGZVFWFLSA-N 1 0 383.517 3.310 20 30 GGEDRO Cn1c(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)nc2c1cccc2F ZINC000181961974 1430389082 /nfs/dbraw/zinc/38/90/82/1430389082.db2.gz SALBWCLXXDJOOL-UHFFFAOYSA-N 1 0 391.494 3.381 20 30 GGEDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000181968285 1430389820 /nfs/dbraw/zinc/38/98/20/1430389820.db2.gz JUVDEVONMSUURW-IIBYNOLFSA-N 1 0 379.460 3.049 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182019419 1430397772 /nfs/dbraw/zinc/39/77/72/1430397772.db2.gz WOLHCABNYQERCK-DYESRHJHSA-N 1 0 378.476 3.086 20 30 GGEDRO N#CCCN(C(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1)c1cccc(Cl)c1 ZINC000182043080 1430401041 /nfs/dbraw/zinc/40/10/41/1430401041.db2.gz XSHKNPPSBJRWOW-SFHVURJKSA-N 1 0 390.915 3.001 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000182050274 1430402034 /nfs/dbraw/zinc/40/20/34/1430402034.db2.gz GGFCTYIVZWTYNJ-UHFFFAOYSA-N 1 0 387.487 3.405 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CC(N)=O)C2CCCCC2)c1 ZINC000182065500 1430404681 /nfs/dbraw/zinc/40/46/81/1430404681.db2.gz JGQBQEAGBKGLAJ-GHTZIAJQSA-N 1 0 398.551 3.353 20 30 GGEDRO CCSc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000182124181 1430416002 /nfs/dbraw/zinc/41/60/02/1430416002.db2.gz PLQNPPVCEQWGIS-PXNSSMCTSA-N 1 0 388.581 3.142 20 30 GGEDRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000182124165 1430416013 /nfs/dbraw/zinc/41/60/13/1430416013.db2.gz PLQNPPVCEQWGIS-XLIONFOSSA-N 1 0 388.581 3.142 20 30 GGEDRO COC(=O)c1ccccc1OCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000182131872 1430417519 /nfs/dbraw/zinc/41/75/19/1430417519.db2.gz JQIYPOJYJMPVTN-UHFFFAOYSA-N 1 0 380.444 3.267 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000182284201 1430442462 /nfs/dbraw/zinc/44/24/62/1430442462.db2.gz BTFKUXHBXROSAC-LJQANCHMSA-N 1 0 388.895 3.408 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(Cl)cc1 ZINC000182308312 1430446176 /nfs/dbraw/zinc/44/61/76/1430446176.db2.gz CSSZKMITPJXPKU-RBUKOAKNSA-N 1 0 376.932 3.073 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000182549663 1430489031 /nfs/dbraw/zinc/48/90/31/1430489031.db2.gz KXURTQDIYAOKBA-UHFFFAOYSA-N 1 0 395.507 3.469 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182557592 1430491432 /nfs/dbraw/zinc/49/14/32/1430491432.db2.gz LADKPPUOBHRWJB-QGZVFWFLSA-N 1 0 378.476 3.352 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182558266 1430491728 /nfs/dbraw/zinc/49/17/28/1430491728.db2.gz AAKVFIYFGKWVNX-HJPURHCSSA-N 1 0 390.487 3.398 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000182567351 1430493973 /nfs/dbraw/zinc/49/39/73/1430493973.db2.gz FVLRATBRDTWWPP-QGZVFWFLSA-N 1 0 384.524 3.246 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc(Cl)c1 ZINC000182594473 1430499362 /nfs/dbraw/zinc/49/93/62/1430499362.db2.gz QFGWGEUYRSSZQA-OALUTQOASA-N 1 0 376.932 3.073 20 30 GGEDRO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182623061 1430504204 /nfs/dbraw/zinc/50/42/04/1430504204.db2.gz RYGZZKLJGLFLKX-GCJKJVERSA-N 1 0 394.494 3.228 20 30 GGEDRO C[C@@H](CCNC(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+]1CCCCC1 ZINC000182652137 1430510718 /nfs/dbraw/zinc/51/07/18/1430510718.db2.gz IQLFNPQAFDYOJO-IBGZPJMESA-N 1 0 383.540 3.044 20 30 GGEDRO CCCCCNC(=O)C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182653238 1430510839 /nfs/dbraw/zinc/51/08/39/1430510839.db2.gz KMIBDRSLJMIJSC-OAQYLSRUSA-N 1 0 396.535 3.072 20 30 GGEDRO C[C@H](CCNC(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+]1CCCCC1 ZINC000182652158 1430510914 /nfs/dbraw/zinc/51/09/14/1430510914.db2.gz IQLFNPQAFDYOJO-LJQANCHMSA-N 1 0 383.540 3.044 20 30 GGEDRO CCOC(=O)C[C@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000182656222 1430511446 /nfs/dbraw/zinc/51/14/46/1430511446.db2.gz ZNWSMVDLEHNLAL-ZDUSSCGKSA-N 1 0 377.510 3.101 20 30 GGEDRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182759551 1430535018 /nfs/dbraw/zinc/53/50/18/1430535018.db2.gz YLGWPKYCOUONRD-VQTJNVASSA-N 1 0 377.492 3.241 20 30 GGEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182776125 1430537708 /nfs/dbraw/zinc/53/77/08/1430537708.db2.gz KOBJGSJMDHKZLD-HNNXBMFYSA-N 1 0 398.438 3.299 20 30 GGEDRO C[C@H]1Oc2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2NC1=O ZINC000182825692 1430547851 /nfs/dbraw/zinc/54/78/51/1430547851.db2.gz XCROGGUKHDBPLQ-OAHLLOKOSA-N 1 0 376.460 3.354 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182833476 1430549771 /nfs/dbraw/zinc/54/97/71/1430549771.db2.gz VMIFTOBSDFEVMN-MRXNPFEDSA-N 1 0 391.397 3.439 20 30 GGEDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000182870225 1430557813 /nfs/dbraw/zinc/55/78/13/1430557813.db2.gz JUEOXKMVLSPRMN-CQSZACIVSA-N 1 0 377.423 3.481 20 30 GGEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(c3ccccc3)CCC2)CC1 ZINC000182871272 1430558500 /nfs/dbraw/zinc/55/85/00/1430558500.db2.gz BBIROXHVOUXWTF-IBGZPJMESA-N 1 0 394.544 3.126 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](CO)c2ccccc2)c1C#N ZINC000182926026 1430573519 /nfs/dbraw/zinc/57/35/19/1430573519.db2.gz IVLCFCDVZIWUHA-OAQYLSRUSA-N 1 0 388.471 3.228 20 30 GGEDRO C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182926394 1430573569 /nfs/dbraw/zinc/57/35/69/1430573569.db2.gz GQOHVFKDXJSMJU-AZUAARDMSA-N 1 0 395.551 3.043 20 30 GGEDRO C[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182926449 1430573609 /nfs/dbraw/zinc/57/36/09/1430573609.db2.gz GQOHVFKDXJSMJU-QUCCMNQESA-N 1 0 395.551 3.043 20 30 GGEDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000183000975 1430589192 /nfs/dbraw/zinc/58/91/92/1430589192.db2.gz SKAJJWXZWIEOBU-AWEZNQCLSA-N 1 0 377.423 3.481 20 30 GGEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000183145947 1430628798 /nfs/dbraw/zinc/62/87/98/1430628798.db2.gz OLXAIYQDQCIJIG-UHFFFAOYSA-N 1 0 391.471 3.287 20 30 GGEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183189806 1430643047 /nfs/dbraw/zinc/64/30/47/1430643047.db2.gz IKDPZOOVQRDVTK-AWEZNQCLSA-N 1 0 397.445 3.270 20 30 GGEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183359280 1430688280 /nfs/dbraw/zinc/68/82/80/1430688280.db2.gz NMSZJYAJOCJBGH-BJLQDIEVSA-N 1 0 396.560 3.239 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000183365081 1430690455 /nfs/dbraw/zinc/69/04/55/1430690455.db2.gz VJWBDOXFYNDRFI-UHFFFAOYSA-N 1 0 389.908 3.155 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2cnn(C)c2C)c1C#N ZINC000183390926 1430699174 /nfs/dbraw/zinc/69/91/74/1430699174.db2.gz GYESDHIWSXTIPF-HNNXBMFYSA-N 1 0 390.491 3.297 20 30 GGEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(CC(F)(F)F)CC3)CC2)nc1 ZINC000183424140 1430708023 /nfs/dbraw/zinc/70/80/23/1430708023.db2.gz TUYWWDDBKRIIMY-UHFFFAOYSA-N 1 0 382.430 3.260 20 30 GGEDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000183459469 1430717176 /nfs/dbraw/zinc/71/71/76/1430717176.db2.gz XUQHICWOUXJVBI-UHFFFAOYSA-N 1 0 393.896 3.090 20 30 GGEDRO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C1CC1 ZINC000183483239 1430723511 /nfs/dbraw/zinc/72/35/11/1430723511.db2.gz FHVXNJBGCBPPCO-FQEVSTJZSA-N 1 0 392.503 3.181 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000183565673 1430743472 /nfs/dbraw/zinc/74/34/72/1430743472.db2.gz QCUUFCPVZBGEJN-SFHVURJKSA-N 1 0 376.932 3.258 20 30 GGEDRO O=C(C[NH2+][C@H](CCO)C1CCCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000183707824 1430778266 /nfs/dbraw/zinc/77/82/66/1430778266.db2.gz GHMMNUUIAMTMGM-LJQANCHMSA-N 1 0 396.453 3.094 20 30 GGEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183754474 1430787333 /nfs/dbraw/zinc/78/73/33/1430787333.db2.gz VBMRCWQDIJKJQM-IBGZPJMESA-N 1 0 389.565 3.314 20 30 GGEDRO CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183762680 1430788322 /nfs/dbraw/zinc/78/83/22/1430788322.db2.gz YKLYVHHIPLXKST-IBGZPJMESA-N 1 0 380.492 3.303 20 30 GGEDRO Cc1cc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c(C)o1 ZINC000183806847 1430798608 /nfs/dbraw/zinc/79/86/08/1430798608.db2.gz WNAIDZYVKHFRCA-YJBOKZPZSA-N 1 0 386.521 3.018 20 30 GGEDRO CC1([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)OCCO1 ZINC000183874955 1430807505 /nfs/dbraw/zinc/80/75/05/1430807505.db2.gz YGQOYIDHMPNNPF-OAHLLOKOSA-N 1 0 377.872 3.015 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000183891060 1430809350 /nfs/dbraw/zinc/80/93/50/1430809350.db2.gz QSJGKAZRZJYIDT-QGZVFWFLSA-N 1 0 394.441 3.421 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1C ZINC000183894909 1430810086 /nfs/dbraw/zinc/81/00/86/1430810086.db2.gz QEPPQZHJXKLPOU-LJQANCHMSA-N 1 0 385.508 3.025 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184221545 1430858329 /nfs/dbraw/zinc/85/83/29/1430858329.db2.gz RKMPZFDTXYGFAI-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000184297226 1430870013 /nfs/dbraw/zinc/87/00/13/1430870013.db2.gz JQYXYJANNLPUSM-GOSISDBHSA-N 1 0 392.503 3.106 20 30 GGEDRO Cc1ccc([C@@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)N2CCCC2)o1 ZINC000184298389 1430870337 /nfs/dbraw/zinc/87/03/37/1430870337.db2.gz YUWVBACFULVXSQ-MRXNPFEDSA-N 1 0 393.896 3.229 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000184314496 1430872303 /nfs/dbraw/zinc/87/23/03/1430872303.db2.gz IRDCECMRDRUWSJ-MRXNPFEDSA-N 1 0 388.537 3.461 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1cc(C#N)ccc1F)C1CC1 ZINC000184318821 1430872806 /nfs/dbraw/zinc/87/28/06/1430872806.db2.gz OKDKUWAZQVUVEQ-OAQYLSRUSA-N 1 0 380.467 3.407 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1C[S@@](C)=O)C(C)C ZINC000184342495 1430875514 /nfs/dbraw/zinc/87/55/14/1430875514.db2.gz UONNWRQGTWPVGO-AFMDSPMNSA-N 1 0 377.554 3.385 20 30 GGEDRO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(OCC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000184400810 1430883430 /nfs/dbraw/zinc/88/34/30/1430883430.db2.gz VSGZJIUZSDOLTK-NHCUHLMSSA-N 1 0 385.895 3.404 20 30 GGEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000184513794 1430896947 /nfs/dbraw/zinc/89/69/47/1430896947.db2.gz GPKUMFDZWFBWSZ-LLVKDONJSA-N 1 0 392.912 3.434 20 30 GGEDRO Cc1c(-c2cc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)on2)cnn1C ZINC000184514737 1430896999 /nfs/dbraw/zinc/89/69/99/1430896999.db2.gz IKAWLYMEFMDEGB-UHFFFAOYSA-N 1 0 377.448 3.299 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000184611934 1430919006 /nfs/dbraw/zinc/91/90/06/1430919006.db2.gz BYHSAMXJBRZIBC-QGZVFWFLSA-N 1 0 388.512 3.360 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000184616974 1430920711 /nfs/dbraw/zinc/92/07/11/1430920711.db2.gz AZVBQTKEYBGYQY-QGZVFWFLSA-N 1 0 396.491 3.225 20 30 GGEDRO CCO[C@H]1C[C@@H](NC(=[NH2+])Nc2ccccc2OC(F)(F)F)C12CCOCC2 ZINC000184644980 1430928316 /nfs/dbraw/zinc/92/83/16/1430928316.db2.gz JIJCJDFEYOKOEF-CABCVRRESA-N 1 0 387.402 3.286 20 30 GGEDRO C=C(C)[C@@H](NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000184652801 1430931213 /nfs/dbraw/zinc/93/12/13/1430931213.db2.gz ZFBJEPMIXYKTLW-OXQOHEQNSA-N 1 0 394.510 3.155 20 30 GGEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nc3cc(OC)ccc3n2C)c1 ZINC000184657527 1430931977 /nfs/dbraw/zinc/93/19/77/1430931977.db2.gz KAPYYNAIAPYHOO-UHFFFAOYSA-N 1 0 397.479 3.306 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000184706881 1430947442 /nfs/dbraw/zinc/94/74/42/1430947442.db2.gz YJURIXUQONWOAC-WBVHZDCISA-N 1 0 395.956 3.487 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000184706902 1430947648 /nfs/dbraw/zinc/94/76/48/1430947648.db2.gz YJURIXUQONWOAC-RDJZCZTQSA-N 1 0 395.956 3.487 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)Nc1cccc(C#N)c1 ZINC000184740139 1430960502 /nfs/dbraw/zinc/96/05/02/1430960502.db2.gz BMXXVUOCPKLVNL-QZTJIDSGSA-N 1 0 376.504 3.243 20 30 GGEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000184771100 1430972058 /nfs/dbraw/zinc/97/20/58/1430972058.db2.gz ZZLKDRPVNDPPSF-UHFFFAOYSA-N 1 0 381.476 3.049 20 30 GGEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000184841984 1430999677 /nfs/dbraw/zinc/99/96/77/1430999677.db2.gz GCKGYQJBXNYLDJ-JOCHJYFZSA-N 1 0 379.504 3.404 20 30 GGEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000184844546 1431000950 /nfs/dbraw/zinc/00/09/50/1431000950.db2.gz DFYRDOXYDSNMMQ-JOCHJYFZSA-N 1 0 379.504 3.404 20 30 GGEDRO C=CCc1cc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c(O)c(OC)c1 ZINC000184935557 1431025800 /nfs/dbraw/zinc/02/58/00/1431025800.db2.gz SRTPJMFVYKMHRN-UHFFFAOYSA-N 1 0 382.508 3.365 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)C1CC1 ZINC000185301501 1431105356 /nfs/dbraw/zinc/10/53/56/1431105356.db2.gz SDCQYLDXKSNXOG-QFIPXVFZSA-N 1 0 377.488 3.158 20 30 GGEDRO NC(=NOCCCCc1ccccc1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000185367426 1431127492 /nfs/dbraw/zinc/12/74/92/1431127492.db2.gz TTXJRQWTNCNODH-UHFFFAOYSA-N 1 0 381.520 3.303 20 30 GGEDRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)c2ccc(F)cc2)cn1 ZINC000185411738 1431138852 /nfs/dbraw/zinc/13/88/52/1431138852.db2.gz NKIZJLUJHOPUNK-OAQYLSRUSA-N 1 0 377.423 3.139 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185416370 1431140854 /nfs/dbraw/zinc/14/08/54/1431140854.db2.gz CIWBBQNVISIBHO-GMAHTHKFSA-N 1 0 395.478 3.407 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)c1cccc(C(F)(F)F)c1 ZINC000185425946 1431142691 /nfs/dbraw/zinc/14/26/91/1431142691.db2.gz LPZCFTMZRFEGIY-HNNXBMFYSA-N 1 0 394.401 3.240 20 30 GGEDRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2sccc2C#N)c2ccc(F)cc2)cn1 ZINC000185427638 1431143237 /nfs/dbraw/zinc/14/32/37/1431143237.db2.gz UUQNTWBQJKITBJ-GOSISDBHSA-N 1 0 383.452 3.200 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000185460868 1431150406 /nfs/dbraw/zinc/15/04/06/1431150406.db2.gz QHIAGOAAKSCUTC-FQEVSTJZSA-N 1 0 393.478 3.336 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000185473552 1431152809 /nfs/dbraw/zinc/15/28/09/1431152809.db2.gz QLCREVDAFUTKJF-LJQANCHMSA-N 1 0 379.451 3.088 20 30 GGEDRO [NH2+]=C(NCc1ccc(N2CCCS2(=O)=O)cc1)Nc1cccc2c1CCCC2 ZINC000185588117 1431177805 /nfs/dbraw/zinc/17/78/05/1431177805.db2.gz ZXWRKDMOWITWQK-UHFFFAOYSA-N 1 0 398.532 3.032 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185626337 1431188210 /nfs/dbraw/zinc/18/82/10/1431188210.db2.gz XWMMQNDUGSFDPQ-CYBMUJFWSA-N 1 0 399.461 3.398 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000185640242 1431191735 /nfs/dbraw/zinc/19/17/35/1431191735.db2.gz MVDSIYPFYXZGSB-WBMJQRKESA-N 1 0 396.413 3.024 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000185640258 1431191858 /nfs/dbraw/zinc/19/18/58/1431191858.db2.gz MVDSIYPFYXZGSB-LRDDRELGSA-N 1 0 396.413 3.024 20 30 GGEDRO COc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000185650057 1431195663 /nfs/dbraw/zinc/19/56/63/1431195663.db2.gz ORJDUHNRFZREFV-MRXNPFEDSA-N 1 0 399.516 3.071 20 30 GGEDRO C=CCn1c(SCC[N@@H+](C)Cc2ccc(F)cc2)nnc1-c1cnccn1 ZINC000185695577 1431208393 /nfs/dbraw/zinc/20/83/93/1431208393.db2.gz WCWPQFWSSZFBSU-UHFFFAOYSA-N 1 0 384.484 3.284 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](OC(C)C)c2ccccc2OC)CC1 ZINC000185734784 1431219166 /nfs/dbraw/zinc/21/91/66/1431219166.db2.gz FFUKVNBNKQCNDI-HXUWFJFHSA-N 1 0 375.513 3.111 20 30 GGEDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1)CC2 ZINC000185825140 1431244666 /nfs/dbraw/zinc/24/46/66/1431244666.db2.gz UXMGGHIAHNMZHU-QFBILLFUSA-N 1 0 385.508 3.041 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccc(F)c(F)c1 ZINC000185837004 1431247149 /nfs/dbraw/zinc/24/71/49/1431247149.db2.gz PZRYHCWMIHUTMC-XLIONFOSSA-N 1 0 392.494 3.003 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccc(F)c(F)c1 ZINC000185836982 1431247424 /nfs/dbraw/zinc/24/74/24/1431247424.db2.gz PZRYHCWMIHUTMC-FXAWDEMLSA-N 1 0 392.494 3.003 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(F)c(F)c1 ZINC000185837555 1431248066 /nfs/dbraw/zinc/24/80/66/1431248066.db2.gz QDUJVRDWOXJSQW-IBGZPJMESA-N 1 0 381.467 3.070 20 30 GGEDRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185843747 1431249547 /nfs/dbraw/zinc/24/95/47/1431249547.db2.gz ZTTXOADCDLPXEF-NVXWUHKLSA-N 1 0 385.489 3.449 20 30 GGEDRO C=C(C)[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000185844950 1431249779 /nfs/dbraw/zinc/24/97/79/1431249779.db2.gz NZRXVMCVTDDVTJ-LJQANCHMSA-N 1 0 394.510 3.297 20 30 GGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000185870252 1431257970 /nfs/dbraw/zinc/25/79/70/1431257970.db2.gz XDINFBWCTCLGAN-OLZOCXBDSA-N 1 0 376.400 3.031 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000185942099 1431288716 /nfs/dbraw/zinc/28/87/16/1431288716.db2.gz HLMGSFMTXRNQEI-UHFFFAOYSA-N 1 0 394.519 3.059 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccccc2)C(F)(F)F)cc1OC ZINC000185954302 1431295014 /nfs/dbraw/zinc/29/50/14/1431295014.db2.gz HSIPMFHOZONRCH-HNNXBMFYSA-N 1 0 381.398 3.454 20 30 GGEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000186100949 1431330547 /nfs/dbraw/zinc/33/05/47/1431330547.db2.gz IELZBFJNQUYUPZ-SFHVURJKSA-N 1 0 384.524 3.376 20 30 GGEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000186152865 1431342800 /nfs/dbraw/zinc/34/28/00/1431342800.db2.gz QCHBSEQCAFYILC-UHFFFAOYSA-N 1 0 389.908 3.286 20 30 GGEDRO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000186219347 1431355489 /nfs/dbraw/zinc/35/54/89/1431355489.db2.gz LDFNUVXBQRPTSL-SFTDATJTSA-N 1 0 386.540 3.225 20 30 GGEDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000186235499 1431358912 /nfs/dbraw/zinc/35/89/12/1431358912.db2.gz YKRWMVKBKVCPED-UHFFFAOYSA-N 1 0 393.896 3.090 20 30 GGEDRO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186267589 1431366782 /nfs/dbraw/zinc/36/67/82/1431366782.db2.gz WPEMQSRQXZVSCL-VXKWHMMOSA-N 1 0 398.551 3.369 20 30 GGEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000186274871 1431368652 /nfs/dbraw/zinc/36/86/52/1431368652.db2.gz BPFHWXQXQYRWMK-QGZVFWFLSA-N 1 0 399.516 3.170 20 30 GGEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186275486 1431368858 /nfs/dbraw/zinc/36/88/58/1431368858.db2.gz FXXIIVHYVHZVEG-INIZCTEOSA-N 1 0 399.516 3.300 20 30 GGEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186275508 1431369068 /nfs/dbraw/zinc/36/90/68/1431369068.db2.gz FXXIIVHYVHZVEG-MRXNPFEDSA-N 1 0 399.516 3.300 20 30 GGEDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1C#N ZINC000186285068 1431371503 /nfs/dbraw/zinc/37/15/03/1431371503.db2.gz MSLRNLSQDWHVKR-MRXNPFEDSA-N 1 0 399.516 3.300 20 30 GGEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000186305102 1431377010 /nfs/dbraw/zinc/37/70/10/1431377010.db2.gz JBUHIASTASRMDE-HNNXBMFYSA-N 1 0 387.480 3.430 20 30 GGEDRO CCN(C(=O)COc1ccc(C#N)cc1OC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186326268 1431383559 /nfs/dbraw/zinc/38/35/59/1431383559.db2.gz CKZDIVCGCGUJGL-HXUWFJFHSA-N 1 0 393.487 3.069 20 30 GGEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000186365452 1431392680 /nfs/dbraw/zinc/39/26/80/1431392680.db2.gz HPFJMZXPCVFXGD-MOPGFXCFSA-N 1 0 396.453 3.356 20 30 GGEDRO COC(=O)N1CCC([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000186382140 1431396761 /nfs/dbraw/zinc/39/67/61/1431396761.db2.gz SWMHGEPKBHHRMR-AWEZNQCLSA-N 1 0 384.398 3.393 20 30 GGEDRO C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000186478709 1431430893 /nfs/dbraw/zinc/43/08/93/1431430893.db2.gz UMIPYVUUZDVVSS-GAJHUEQPSA-N 1 0 392.503 3.475 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000186586299 1431461594 /nfs/dbraw/zinc/46/15/94/1431461594.db2.gz BAJTURLQSDCJIS-SJLPKXTDSA-N 1 0 394.560 3.114 20 30 GGEDRO C=CCOc1ccc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000186605925 1431467096 /nfs/dbraw/zinc/46/70/96/1431467096.db2.gz DPGKYNDNMAHSRD-HXUWFJFHSA-N 1 0 395.503 3.440 20 30 GGEDRO Cc1noc(C)c1C(=O)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000186959519 1431577067 /nfs/dbraw/zinc/57/70/67/1431577067.db2.gz CUGZABPIHUJOQC-UHFFFAOYSA-O 1 0 380.493 3.350 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)Nc2cnn(CC)c2)cc1 ZINC000186965375 1431578638 /nfs/dbraw/zinc/57/86/38/1431578638.db2.gz RIJSYBIMKKFIGG-UHFFFAOYSA-O 1 0 398.512 3.409 20 30 GGEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(CO)c1 ZINC000186981867 1431582081 /nfs/dbraw/zinc/58/20/81/1431582081.db2.gz ZGQYMNYDLINRCO-UHFFFAOYSA-O 1 0 393.479 3.462 20 30 GGEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000187046472 1431599049 /nfs/dbraw/zinc/59/90/49/1431599049.db2.gz AZYQMKPVALFUKJ-RBUKOAKNSA-N 1 0 395.507 3.256 20 30 GGEDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000187046433 1431599070 /nfs/dbraw/zinc/59/90/70/1431599070.db2.gz AZYQMKPVALFUKJ-OALUTQOASA-N 1 0 395.507 3.256 20 30 GGEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000187046450 1431599111 /nfs/dbraw/zinc/59/91/11/1431599111.db2.gz AZYQMKPVALFUKJ-RTBURBONSA-N 1 0 395.507 3.256 20 30 GGEDRO C#CCOc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000187238771 1431660945 /nfs/dbraw/zinc/66/09/45/1431660945.db2.gz IOPBSECRWQGHHX-UHFFFAOYSA-N 1 0 378.472 3.155 20 30 GGEDRO C=CC[C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)c1ccccc1 ZINC000187273986 1431676806 /nfs/dbraw/zinc/67/68/06/1431676806.db2.gz XJRXFUANPOXRJX-SFHVURJKSA-N 1 0 379.460 3.455 20 30 GGEDRO C[C@H](NC(=O)c1cccc(F)c1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000187437162 1431730004 /nfs/dbraw/zinc/73/00/04/1431730004.db2.gz PEGVJFOIUIMBSI-AWEZNQCLSA-N 1 0 384.430 3.079 20 30 GGEDRO CC[C@]1(CO)CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000187618926 1431780580 /nfs/dbraw/zinc/78/05/80/1431780580.db2.gz PWUGJSYZCXAAHV-FQEVSTJZSA-N 1 0 375.538 3.312 20 30 GGEDRO C=C(C)[C@H]([NH2+]C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187779914 1431811604 /nfs/dbraw/zinc/81/16/04/1431811604.db2.gz JTLWNYFFVIVSPY-PMACEKPBSA-N 1 0 395.471 3.483 20 30 GGEDRO C=C(C)[C@H]([NH2+]C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187779947 1431811635 /nfs/dbraw/zinc/81/16/35/1431811635.db2.gz JTLWNYFFVIVSPY-VQTJNVASSA-N 1 0 395.471 3.483 20 30 GGEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000187813448 1431815371 /nfs/dbraw/zinc/81/53/71/1431815371.db2.gz KEAFBSYOKUKWID-UHFFFAOYSA-N 1 0 380.448 3.194 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000188001575 1431835283 /nfs/dbraw/zinc/83/52/83/1431835283.db2.gz NIXGUYFEOJJEKP-QRWLVFNGSA-N 1 0 393.478 3.382 20 30 GGEDRO C=C(C)[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1 ZINC000188001602 1431835330 /nfs/dbraw/zinc/83/53/30/1431835330.db2.gz NIXGUYFEOJJEKP-FOIQADDNSA-N 1 0 393.478 3.382 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+](CCCOC)CC1)c1ccc(F)c(F)c1 ZINC000188024269 1431837357 /nfs/dbraw/zinc/83/73/57/1431837357.db2.gz LQFMSHYPAZJHNL-IBGZPJMESA-N 1 0 381.467 3.382 20 30 GGEDRO C#CCOc1ccccc1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000188066136 1431841733 /nfs/dbraw/zinc/84/17/33/1431841733.db2.gz LPOKKNMRMRXDQC-HDICACEKSA-N 1 0 385.508 3.052 20 30 GGEDRO C#CCOc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000188091810 1431845664 /nfs/dbraw/zinc/84/56/64/1431845664.db2.gz JPQZVPUWWHLWSC-UHFFFAOYSA-N 1 0 393.487 3.447 20 30 GGEDRO N#Cc1ccc(Oc2cccc(NC(=O)NCC[N@@H+]3CCCOCC3)c2)cc1 ZINC000188141136 1431852196 /nfs/dbraw/zinc/85/21/96/1431852196.db2.gz LTHHQULPSYLNBH-UHFFFAOYSA-N 1 0 380.448 3.194 20 30 GGEDRO C=C[C@H](CC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000188157134 1431854033 /nfs/dbraw/zinc/85/40/33/1431854033.db2.gz SLWPBHNHKDHAHX-QPPBQGQZSA-N 1 0 378.516 3.442 20 30 GGEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C[C@H](C)O1 ZINC000188176529 1431857171 /nfs/dbraw/zinc/85/71/71/1431857171.db2.gz UNUVTOPZDXXLGY-KDURUIRLSA-N 1 0 395.547 3.328 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000188210345 1431860906 /nfs/dbraw/zinc/86/09/06/1431860906.db2.gz RCFNJQGPELHQSI-UHFFFAOYSA-N 1 0 382.508 3.367 20 30 GGEDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000188250597 1431865882 /nfs/dbraw/zinc/86/58/82/1431865882.db2.gz RUBSQARKWGUBRZ-UHFFFAOYSA-N 1 0 391.459 3.320 20 30 GGEDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000188262025 1431866938 /nfs/dbraw/zinc/86/69/38/1431866938.db2.gz XBVXZNTZTWVKTR-UHFFFAOYSA-N 1 0 389.443 3.074 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000188398691 1431881076 /nfs/dbraw/zinc/88/10/76/1431881076.db2.gz PHAWLAQCKHDWOT-UHFFFAOYSA-N 1 0 382.508 3.367 20 30 GGEDRO C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000188629240 1431909889 /nfs/dbraw/zinc/90/98/89/1431909889.db2.gz BHDUCFFSJSALBJ-KRWDZBQOSA-N 1 0 377.488 3.142 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)Nc1ncccc1OCCCC#N)c1cccc(F)c1 ZINC000188681736 1431931275 /nfs/dbraw/zinc/93/12/75/1431931275.db2.gz QYBKKJKCDHOQIE-QGZVFWFLSA-N 1 0 385.443 3.328 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000188707871 1431939922 /nfs/dbraw/zinc/93/99/22/1431939922.db2.gz RRBVMUFRHFAIFK-WMZOPIPTSA-N 1 0 383.496 3.245 20 30 GGEDRO C=CCOc1cccc(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000188722235 1431945611 /nfs/dbraw/zinc/94/56/11/1431945611.db2.gz IJWDHYWAGIBFOT-HSZRJFAPSA-N 1 0 395.503 3.352 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(F)c3C#N)CC2)cc1 ZINC000188738872 1431952655 /nfs/dbraw/zinc/95/26/55/1431952655.db2.gz BXUBNXFCJSCDEU-UHFFFAOYSA-N 1 0 381.451 3.348 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000188764488 1431964287 /nfs/dbraw/zinc/96/42/87/1431964287.db2.gz SOYDQHDSJZXIAO-INIZCTEOSA-N 1 0 383.452 3.316 20 30 GGEDRO N#Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1O ZINC000188854232 1431999021 /nfs/dbraw/zinc/99/90/21/1431999021.db2.gz COOVIRNYQCCLCQ-RTWAWAEBSA-N 1 0 375.472 3.391 20 30 GGEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000188961271 1432016977 /nfs/dbraw/zinc/01/69/77/1432016977.db2.gz PTTIYPZVZQLXDW-UHFFFAOYSA-N 1 0 387.405 3.233 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000189219994 1432065215 /nfs/dbraw/zinc/06/52/15/1432065215.db2.gz VCMWGABMAIIDNP-INIZCTEOSA-N 1 0 377.366 3.315 20 30 GGEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000189231950 1432068322 /nfs/dbraw/zinc/06/83/22/1432068322.db2.gz RDAWVBZTEVIUQH-HNNXBMFYSA-N 1 0 387.480 3.201 20 30 GGEDRO Cn1cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000189457699 1432118124 /nfs/dbraw/zinc/11/81/24/1432118124.db2.gz FPXMEOFNNVVXRQ-UHFFFAOYSA-N 1 0 391.441 3.323 20 30 GGEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000189522211 1432147167 /nfs/dbraw/zinc/14/71/67/1432147167.db2.gz SWRBICYPPCHCBV-ZWKOTPCHSA-N 1 0 383.521 3.336 20 30 GGEDRO C=CCN(CCOC)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000189712027 1432211435 /nfs/dbraw/zinc/21/14/35/1432211435.db2.gz VMPZOJUSBAVJBT-YJBOKZPZSA-N 1 0 383.895 3.316 20 30 GGEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)cn3)c(OCC)c2)CC1 ZINC000190079832 1432315710 /nfs/dbraw/zinc/31/57/10/1432315710.db2.gz FZIRKVANVGNACU-UHFFFAOYSA-N 1 0 393.491 3.136 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)CC1 ZINC000190168924 1432332423 /nfs/dbraw/zinc/33/24/23/1432332423.db2.gz IXMPBNVTRLSXQR-UHFFFAOYSA-N 1 0 397.527 3.122 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000190187380 1432336535 /nfs/dbraw/zinc/33/65/35/1432336535.db2.gz NCYWCHGUTLZDNM-HOTGVXAUSA-N 1 0 390.553 3.390 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000190187405 1432336710 /nfs/dbraw/zinc/33/67/10/1432336710.db2.gz WPIFLWIIDMZRFO-CVEARBPZSA-N 1 0 390.553 3.390 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000190319286 1432360476 /nfs/dbraw/zinc/36/04/76/1432360476.db2.gz UWDQKHUBQSNZSE-WMZHIEFXSA-N 1 0 379.504 3.046 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1C#N ZINC000190331129 1432362995 /nfs/dbraw/zinc/36/29/95/1432362995.db2.gz WSOUAWNNNKOYKX-UHFFFAOYSA-N 1 0 376.460 3.082 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000190334374 1432363515 /nfs/dbraw/zinc/36/35/15/1432363515.db2.gz CLLBMNGNZDXKFB-UHFFFAOYSA-N 1 0 376.460 3.082 20 30 GGEDRO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000190581529 1432412403 /nfs/dbraw/zinc/41/24/03/1432412403.db2.gz LPZRAUWOCUYCNY-GOSISDBHSA-N 1 0 380.517 3.291 20 30 GGEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190603641 1432417480 /nfs/dbraw/zinc/41/74/80/1432417480.db2.gz UPEYICGJYGPFFP-HTAPYJJXSA-N 1 0 377.488 3.279 20 30 GGEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190603574 1432417529 /nfs/dbraw/zinc/41/75/29/1432417529.db2.gz HGXRUOFXPIBFHX-FGZHOGPDSA-N 1 0 375.472 3.335 20 30 GGEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190608926 1432419668 /nfs/dbraw/zinc/41/96/68/1432419668.db2.gz FKVIYZOMWJFQCG-PMACEKPBSA-N 1 0 393.512 3.494 20 30 GGEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCS2 ZINC000190608889 1432419733 /nfs/dbraw/zinc/41/97/33/1432419733.db2.gz FKVIYZOMWJFQCG-VQTJNVASSA-N 1 0 393.512 3.494 20 30 GGEDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190610808 1432419776 /nfs/dbraw/zinc/41/97/76/1432419776.db2.gz ONAZCVLSMIPSGN-MHJFOBGBSA-N 1 0 397.519 3.149 20 30 GGEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190611606 1432420377 /nfs/dbraw/zinc/42/03/77/1432420377.db2.gz VPELCLYYGWTHGG-OXJNMPFZSA-N 1 0 392.459 3.178 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H](NC3CC[NH+](C4CCCCC4)CC3)C2=O)cc1 ZINC000190621009 1432422971 /nfs/dbraw/zinc/42/29/71/1432422971.db2.gz KSGMYXDLPXOAMJ-QFIPXVFZSA-N 1 0 380.536 3.046 20 30 GGEDRO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 ZINC000190622203 1432423244 /nfs/dbraw/zinc/42/32/44/1432423244.db2.gz JQRYAEGGVNUPLP-SJLPKXTDSA-N 1 0 380.517 3.345 20 30 GGEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190629714 1432425485 /nfs/dbraw/zinc/42/54/85/1432425485.db2.gz AOEAQACSKZTWJA-KXBFYZLASA-N 1 0 379.460 3.027 20 30 GGEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190632854 1432426623 /nfs/dbraw/zinc/42/66/23/1432426623.db2.gz ISCOCNDXJZBJSJ-QRWLVFNGSA-N 1 0 379.460 3.027 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000190631969 1432426828 /nfs/dbraw/zinc/42/68/28/1432426828.db2.gz MDAHNUCBGZOVFD-QRWLVFNGSA-N 1 0 379.460 3.027 20 30 GGEDRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190634245 1432427935 /nfs/dbraw/zinc/42/79/35/1432427935.db2.gz UELPVCIHJPRRNX-YADHBBJMSA-N 1 0 395.478 3.036 20 30 GGEDRO Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190802202 1432486767 /nfs/dbraw/zinc/48/67/67/1432486767.db2.gz UASPBYDXRJDQHE-UHFFFAOYSA-N 1 0 377.492 3.353 20 30 GGEDRO C=CCC1(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000190801683 1432486881 /nfs/dbraw/zinc/48/68/81/1432486881.db2.gz ZEAMJPGEWUIMJL-FQEVSTJZSA-N 1 0 382.552 3.189 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]CCCCCOc3ccccc3)C2=O)cc1 ZINC000190837325 1432501845 /nfs/dbraw/zinc/50/18/45/1432501845.db2.gz JUPCYCJMZPRQNY-QFIPXVFZSA-N 1 0 377.488 3.498 20 30 GGEDRO Cn1cc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1C#N ZINC000190949098 1432535737 /nfs/dbraw/zinc/53/57/37/1432535737.db2.gz FFPCYPCJNOSHKO-FQEVSTJZSA-N 1 0 386.927 3.492 20 30 GGEDRO C[N@@H+]1CC[C@H](CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)C1 ZINC000191049462 1432557314 /nfs/dbraw/zinc/55/73/14/1432557314.db2.gz MNWYPOMQBHPOTF-INIZCTEOSA-N 1 0 376.485 3.301 20 30 GGEDRO Cc1ccc([C@@H](NCc2cc(C#N)n(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000191234682 1432599157 /nfs/dbraw/zinc/59/91/57/1432599157.db2.gz BFTUEPMGRKZOBE-JOCHJYFZSA-N 1 0 393.512 3.488 20 30 GGEDRO N#Cc1cccc(OCC[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191311492 1432628974 /nfs/dbraw/zinc/62/89/74/1432628974.db2.gz KSELDMIKAPFFIK-UHFFFAOYSA-N 1 0 397.426 3.020 20 30 GGEDRO Cn1cc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1C#N ZINC000191387016 1432648591 /nfs/dbraw/zinc/64/85/91/1432648591.db2.gz RNOJEIZOOLMTGF-UHFFFAOYSA-N 1 0 376.504 3.300 20 30 GGEDRO CCCn1ccnc1CCC[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191512871 1432676367 /nfs/dbraw/zinc/67/63/67/1432676367.db2.gz NTBGNCCLXUOILQ-FQEVSTJZSA-N 1 0 379.508 3.225 20 30 GGEDRO N#CCCn1ccc(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)n1 ZINC000191552955 1432681798 /nfs/dbraw/zinc/68/17/98/1432681798.db2.gz NPEBNSYPBNUZON-UHFFFAOYSA-N 1 0 382.468 3.305 20 30 GGEDRO COC(=O)[C@@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000191579715 1432686714 /nfs/dbraw/zinc/68/67/14/1432686714.db2.gz KTQKXDYWLPNTIB-QHCPKHFHSA-N 1 0 388.471 3.179 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccncc3)CC2)c(OC)c1 ZINC000191629277 1432695872 /nfs/dbraw/zinc/69/58/72/1432695872.db2.gz YBFCFASDFLQLGR-NRFANRHFSA-N 1 0 382.504 3.438 20 30 GGEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(c3ccnn3CC)C2=O)ccc1OC ZINC000191637925 1432697916 /nfs/dbraw/zinc/69/79/16/1432697916.db2.gz PFYNZGCSPUSDGV-SFHVURJKSA-N 1 0 398.507 3.152 20 30 GGEDRO CC[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000191959078 1432767170 /nfs/dbraw/zinc/76/71/70/1432767170.db2.gz NNDKXZNEAUHKIL-SFHVURJKSA-N 1 0 385.533 3.403 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(O)c1 ZINC000191966374 1432769843 /nfs/dbraw/zinc/76/98/43/1432769843.db2.gz WYLUBEGICHKEJA-JAMLUQCHSA-N 1 0 390.487 3.330 20 30 GGEDRO N#Cc1ccc(CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1F ZINC000191975498 1432772862 /nfs/dbraw/zinc/77/28/62/1432772862.db2.gz XBDFRWAHFLTGQG-HXUWFJFHSA-N 1 0 393.510 3.127 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C#N)c(F)c2)C(C)C)cc1 ZINC000192014469 1432779873 /nfs/dbraw/zinc/77/98/73/1432779873.db2.gz YXVASBUQYRFEIM-HXUWFJFHSA-N 1 0 399.466 3.306 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192029709 1432782234 /nfs/dbraw/zinc/78/22/34/1432782234.db2.gz FXAJTPILRVCBQD-RBUKOAKNSA-N 1 0 390.892 3.105 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192107667 1432799635 /nfs/dbraw/zinc/79/96/35/1432799635.db2.gz PNXYBGJWJGAMKT-CDHQVMDDSA-N 1 0 390.842 3.210 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192125736 1432802109 /nfs/dbraw/zinc/80/21/09/1432802109.db2.gz PGTCDBZXWZOBLR-SJLPKXTDSA-N 1 0 375.375 3.105 20 30 GGEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192126265 1432802407 /nfs/dbraw/zinc/80/24/07/1432802407.db2.gz URFOZCUMHZYHNL-HWOJHCLVSA-N 1 0 389.402 3.493 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192133696 1432804083 /nfs/dbraw/zinc/80/40/83/1432804083.db2.gz CYFTXZNEOSSOBB-NVXWUHKLSA-N 1 0 377.416 3.346 20 30 GGEDRO N#Cc1ccc(SCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192215545 1432817893 /nfs/dbraw/zinc/81/78/93/1432817893.db2.gz WQKZZGUNNRFVBQ-HXUWFJFHSA-N 1 0 395.528 3.058 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(Oc4cnccn4)cc3)C2=O)cc1 ZINC000192242999 1432821463 /nfs/dbraw/zinc/82/14/63/1432821463.db2.gz ISGQUOCPDGVIKP-OAQYLSRUSA-N 1 0 399.454 3.031 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(OCC4CC4)cc3)C2=O)cc1 ZINC000192244144 1432821828 /nfs/dbraw/zinc/82/18/28/1432821828.db2.gz CJBHLGRPVWIGKL-QFIPXVFZSA-N 1 0 375.472 3.238 20 30 GGEDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000192244040 1432821877 /nfs/dbraw/zinc/82/18/77/1432821877.db2.gz DSWCYMPQWANKEM-HXUWFJFHSA-N 1 0 392.459 3.481 20 30 GGEDRO CC1(C)Cc2cccc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2O1 ZINC000192244312 1432821918 /nfs/dbraw/zinc/82/19/18/1432821918.db2.gz GZDHHLCRBGZAKR-HXUWFJFHSA-N 1 0 375.472 3.162 20 30 GGEDRO CCCOc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC ZINC000192244858 1432821967 /nfs/dbraw/zinc/82/19/67/1432821967.db2.gz NAKNZFMVVMSKRZ-FQEVSTJZSA-N 1 0 393.487 3.246 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000192468447 1432848450 /nfs/dbraw/zinc/84/84/50/1432848450.db2.gz ZOHIBHPGJPYRMV-HXUWFJFHSA-N 1 0 382.435 3.032 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000192468455 1432848512 /nfs/dbraw/zinc/84/85/12/1432848512.db2.gz ZOHIBHPGJPYRMV-FQEVSTJZSA-N 1 0 382.435 3.032 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)C2=O)cc1 ZINC000192621572 1432867371 /nfs/dbraw/zinc/86/73/71/1432867371.db2.gz SAOTVLPCRFALKP-XUVXKRRUSA-N 1 0 379.460 3.235 20 30 GGEDRO COC(=O)[C@H](C)[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000192687427 1432875487 /nfs/dbraw/zinc/87/54/87/1432875487.db2.gz PTJZKVADJYWYIK-MAODMQOUSA-N 1 0 391.471 3.194 20 30 GGEDRO CCCN(CC(=O)Nc1ccccc1C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000192827917 1432895710 /nfs/dbraw/zinc/89/57/10/1432895710.db2.gz VQGCSQFFIAWGQR-GOSISDBHSA-N 1 0 384.524 3.377 20 30 GGEDRO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000192869140 1432901230 /nfs/dbraw/zinc/90/12/30/1432901230.db2.gz KSVDJBVQALIBGG-IBGZPJMESA-N 1 0 398.551 3.259 20 30 GGEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCCCC1 ZINC000192963989 1432913986 /nfs/dbraw/zinc/91/39/86/1432913986.db2.gz CGLJHRDNXFKVMZ-FQEVSTJZSA-N 1 0 398.551 3.443 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC(C)C ZINC000192966006 1432914291 /nfs/dbraw/zinc/91/42/91/1432914291.db2.gz YEOVJOURNDQDDJ-IBGZPJMESA-N 1 0 386.540 3.299 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2cccc(N3CCCC3=O)c2)C(=S)NC(C)C)c1 ZINC000192983089 1432916972 /nfs/dbraw/zinc/91/69/72/1432916972.db2.gz ABTDVXLTDHENDB-UHFFFAOYSA-O 1 0 396.536 3.346 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000193068885 1432931448 /nfs/dbraw/zinc/93/14/48/1432931448.db2.gz UPIOMEQJQKUVFN-QFIPXVFZSA-N 1 0 391.519 3.083 20 30 GGEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193087360 1432934097 /nfs/dbraw/zinc/93/40/97/1432934097.db2.gz IBRVEVKCUDTXBO-KRWDZBQOSA-N 1 0 384.524 3.055 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000193354889 1432984859 /nfs/dbraw/zinc/98/48/59/1432984859.db2.gz HWNJDPYGOLTKBE-RTWAWAEBSA-N 1 0 390.443 3.235 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000193673482 1433038285 /nfs/dbraw/zinc/03/82/85/1433038285.db2.gz UFTNGRAPWMRFSB-UHFFFAOYSA-N 1 0 396.535 3.497 20 30 GGEDRO N#Cc1ccc(OCCC[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000193687009 1433040860 /nfs/dbraw/zinc/04/08/60/1433040860.db2.gz HASNSXMFFFMSBN-UHFFFAOYSA-N 1 0 381.451 3.314 20 30 GGEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1C(=O)N(C)C(C)C ZINC000193745407 1433051215 /nfs/dbraw/zinc/05/12/15/1433051215.db2.gz BMGCXFPRVBXIKM-UHFFFAOYSA-N 1 0 387.528 3.175 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3cc(C#N)ccn3)CC2)cc1 ZINC000193832714 1433068895 /nfs/dbraw/zinc/06/88/95/1433068895.db2.gz BRKRVSNXRROVEQ-UHFFFAOYSA-N 1 0 380.517 3.088 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193952217 1433091325 /nfs/dbraw/zinc/09/13/25/1433091325.db2.gz KHYULJOPQMFJFL-IAGOWNOFSA-N 1 0 398.551 3.299 20 30 GGEDRO N#Cc1ccc(OCCC[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000193956086 1433092100 /nfs/dbraw/zinc/09/21/00/1433092100.db2.gz KNHOMRMLYVVYIU-UHFFFAOYSA-N 1 0 379.460 3.383 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)N(CC[NH+](CC)CC)Cc2cccs2)c1 ZINC000194016592 1433101278 /nfs/dbraw/zinc/10/12/78/1433101278.db2.gz FJGBBNRRGBZEJG-UHFFFAOYSA-N 1 0 383.517 3.039 20 30 GGEDRO C#CCOc1ccc(Br)cc1CNC1CC[NH+](CC2CC2)CC1 ZINC000194062188 1433110051 /nfs/dbraw/zinc/11/00/51/1433110051.db2.gz BNZYPSWRVJAZBI-UHFFFAOYSA-N 1 0 377.326 3.425 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1OCC#N)c1cccc(OC)c1 ZINC000194098196 1433117123 /nfs/dbraw/zinc/11/71/23/1433117123.db2.gz SPDIPBBRHGBTQU-HXUWFJFHSA-N 1 0 381.476 3.410 20 30 GGEDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)([NH+](C)C)C1 ZINC000194143858 1433125863 /nfs/dbraw/zinc/12/58/63/1433125863.db2.gz RWIUJRZUVPQIFH-KSFYIVLOSA-N 1 0 384.524 3.053 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccccc3OCC#N)cc2)C[C@H](C)O1 ZINC000194144819 1433125915 /nfs/dbraw/zinc/12/59/15/1433125915.db2.gz GROLVTOUGONCRJ-HDICACEKSA-N 1 0 393.487 3.128 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccccc1OCC#N)c1ccccc1O2 ZINC000194332677 1433162992 /nfs/dbraw/zinc/16/29/92/1433162992.db2.gz OQDKBKAYCDVNIE-LJQANCHMSA-N 1 0 391.471 3.307 20 30 GGEDRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000194349131 1433165036 /nfs/dbraw/zinc/16/50/36/1433165036.db2.gz FGEMYIVRGQKTSQ-FQEVSTJZSA-N 1 0 391.475 3.416 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)CSc1nc2c(cc1C#N)CCCC2)c1ccccc1 ZINC000194379042 1433169138 /nfs/dbraw/zinc/16/91/38/1433169138.db2.gz NIGMQBGPORMEBE-HXUWFJFHSA-N 1 0 394.544 3.343 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(F)c1 ZINC000194443053 1433179021 /nfs/dbraw/zinc/17/90/21/1433179021.db2.gz RAYOGPHSWDIPJW-UHFFFAOYSA-N 1 0 381.407 3.277 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000194509282 1433190032 /nfs/dbraw/zinc/19/00/32/1433190032.db2.gz WFEKMHLYUGBDCI-QHCPKHFHSA-N 1 0 380.532 3.015 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[NH+](C)C)cc1 ZINC000194552497 1433196164 /nfs/dbraw/zinc/19/61/64/1433196164.db2.gz WTROCHXCBZRBBH-HXUWFJFHSA-N 1 0 392.503 3.154 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000194747977 1433223983 /nfs/dbraw/zinc/22/39/83/1433223983.db2.gz WVLDZHJEMZFVEP-UHFFFAOYSA-N 1 0 382.464 3.219 20 30 GGEDRO CCOC(=O)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000194749010 1433224099 /nfs/dbraw/zinc/22/40/99/1433224099.db2.gz ZUYRGUYDGBYXMX-JOCHJYFZSA-N 1 0 377.488 3.417 20 30 GGEDRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000194853664 1433248967 /nfs/dbraw/zinc/24/89/67/1433248967.db2.gz AMINCHRBJIIZQV-AVRDEDQJSA-N 1 0 385.508 3.233 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000194880758 1433255577 /nfs/dbraw/zinc/25/55/77/1433255577.db2.gz UUWOPSGJNGPNBI-UHFFFAOYSA-N 1 0 377.488 3.138 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1cccc(CO)c1 ZINC000194973226 1433275143 /nfs/dbraw/zinc/27/51/43/1433275143.db2.gz ZYTAIRSDQJINTL-ZDUSSCGKSA-O 1 0 377.917 3.447 20 30 GGEDRO C[C@H](O)c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000195070873 1433288411 /nfs/dbraw/zinc/28/84/11/1433288411.db2.gz NDGTZTKTZUWROC-SFHVURJKSA-N 1 0 392.503 3.029 20 30 GGEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000195226360 1433309521 /nfs/dbraw/zinc/30/95/21/1433309521.db2.gz LHLXMCLOWUBWKR-UHFFFAOYSA-N 1 0 392.503 3.176 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000195250470 1433311873 /nfs/dbraw/zinc/31/18/73/1433311873.db2.gz AINOATRQXPHRPG-UHFFFAOYSA-N 1 0 378.520 3.486 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000195600772 1433341162 /nfs/dbraw/zinc/34/11/62/1433341162.db2.gz XPPQHLLFBPMWFD-HZPDHXFCSA-N 1 0 392.931 3.199 20 30 GGEDRO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000195731841 1433346211 /nfs/dbraw/zinc/34/62/11/1433346211.db2.gz NGCHWOORMULNPI-PKTZIBPZSA-N 1 0 388.515 3.060 20 30 GGEDRO C=CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000198859057 1433351618 /nfs/dbraw/zinc/35/16/18/1433351618.db2.gz VTMMLZCSTXVZMA-FQEVSTJZSA-N 1 0 380.488 3.437 20 30 GGEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000216165843 1433362957 /nfs/dbraw/zinc/36/29/57/1433362957.db2.gz WVKHQJGGYDNMDX-KRWDZBQOSA-N 1 0 395.569 3.251 20 30 GGEDRO C#CCOc1ccc(C[NH2+][C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000237307911 1433396639 /nfs/dbraw/zinc/39/66/39/1433396639.db2.gz HICICAIJZWNTJN-FQEVSTJZSA-N 1 0 380.488 3.080 20 30 GGEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC000237315615 1433396918 /nfs/dbraw/zinc/39/69/18/1433396918.db2.gz SKBWWPVUEZFOLJ-SFHVURJKSA-N 1 0 390.277 3.293 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)N2CCN(c3ccccc3)CC2)cc1 ZINC000237370736 1433399244 /nfs/dbraw/zinc/39/92/44/1433399244.db2.gz GYAIHTFLXAZRMU-PMACEKPBSA-N 1 0 378.520 3.278 20 30 GGEDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N2CCOCC2)cc1 ZINC000237489338 1433405798 /nfs/dbraw/zinc/40/57/98/1433405798.db2.gz XCXOYPFJDYXLSZ-WMZHIEFXSA-N 1 0 379.504 3.449 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000237486923 1433405866 /nfs/dbraw/zinc/40/58/66/1433405866.db2.gz ABUWWRICJXTCEM-FQEVSTJZSA-N 1 0 378.520 3.279 20 30 GGEDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N2CCOCC2)cc1 ZINC000237491010 1433405876 /nfs/dbraw/zinc/40/58/76/1433405876.db2.gz XCXOYPFJDYXLSZ-CVDCTZTESA-N 1 0 379.504 3.449 20 30 GGEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)N2CCOCC2)cc1 ZINC000237497497 1433406527 /nfs/dbraw/zinc/40/65/27/1433406527.db2.gz VOJOENNDNOTVDI-WZONZLPQSA-N 1 0 395.503 3.149 20 30 GGEDRO C[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)N1CCN(c2ccccc2)CC1 ZINC000237546451 1433408845 /nfs/dbraw/zinc/40/88/45/1433408845.db2.gz GYAIHTFLXAZRMU-UXHICEINSA-N 1 0 378.520 3.278 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000237580779 1433410615 /nfs/dbraw/zinc/41/06/15/1433410615.db2.gz QXVZMVDDJRHOBE-CVEARBPZSA-N 1 0 387.505 3.079 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000237595207 1433411345 /nfs/dbraw/zinc/41/13/45/1433411345.db2.gz VNBDBIPDBUUOON-VGOFRKELSA-N 1 0 383.467 3.280 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000237590906 1433411375 /nfs/dbraw/zinc/41/13/75/1433411375.db2.gz QWMHUXKGMIZVGJ-GOSISDBHSA-N 1 0 392.503 3.170 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000237593261 1433411474 /nfs/dbraw/zinc/41/14/74/1433411474.db2.gz ABUWWRICJXTCEM-HXUWFJFHSA-N 1 0 378.520 3.279 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237823633 1433426003 /nfs/dbraw/zinc/42/60/03/1433426003.db2.gz SWLVVXGQVAVVNE-UHFFFAOYSA-N 1 0 386.414 3.240 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)nc1 ZINC000237851234 1433428688 /nfs/dbraw/zinc/42/86/88/1433428688.db2.gz VGNWXGZKUADPPX-JOCHJYFZSA-N 1 0 392.503 3.270 20 30 GGEDRO C=CCOc1ccccc1CN(C(=O)CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000237893818 1433432485 /nfs/dbraw/zinc/43/24/85/1433432485.db2.gz HSPHNWYZOOPJDB-UHFFFAOYSA-N 1 0 382.460 3.295 20 30 GGEDRO C#CCOc1ccc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000238140391 1433444326 /nfs/dbraw/zinc/44/43/26/1433444326.db2.gz AEZRVWOFAYZLRA-QGZVFWFLSA-N 1 0 379.378 3.247 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000245389532 1433457573 /nfs/dbraw/zinc/45/75/73/1433457573.db2.gz ILSZTJWMCNYJBG-QZTJIDSGSA-N 1 0 391.581 3.135 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000245435326 1433467030 /nfs/dbraw/zinc/46/70/30/1433467030.db2.gz QJXSCULYKRGOQC-NFBKMPQASA-N 1 0 380.488 3.060 20 30 GGEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245439267 1433467877 /nfs/dbraw/zinc/46/78/77/1433467877.db2.gz FSPGJXURIBWFTK-AZUAARDMSA-N 1 0 376.504 3.339 20 30 GGEDRO C[C@H](C(=O)Nc1ccccc1C#N)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245439269 1433467912 /nfs/dbraw/zinc/46/79/12/1433467912.db2.gz FSPGJXURIBWFTK-UYAOXDASSA-N 1 0 376.504 3.339 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245441814 1433468148 /nfs/dbraw/zinc/46/81/48/1433468148.db2.gz HPIQKXSEOCMJQF-OALUTQOASA-N 1 0 375.582 3.459 20 30 GGEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245460216 1433472578 /nfs/dbraw/zinc/47/25/78/1433472578.db2.gz VQNKHCKJZJGRLQ-GHTZIAJQSA-N 1 0 376.504 3.339 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245467651 1433474053 /nfs/dbraw/zinc/47/40/53/1433474053.db2.gz ZONOYGMTLNHHNT-RTWAWAEBSA-N 1 0 382.552 3.438 20 30 GGEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000245483711 1433476425 /nfs/dbraw/zinc/47/64/25/1433476425.db2.gz FZQLENXEYLDFRH-XHSDSOJGSA-N 1 0 386.565 3.383 20 30 GGEDRO C=CCCOCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245720079 1433505347 /nfs/dbraw/zinc/50/53/47/1433505347.db2.gz QXQGNHXZFINZLF-CRAIPNDOSA-N 1 0 383.895 3.364 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000245741144 1433509477 /nfs/dbraw/zinc/50/94/77/1433509477.db2.gz RNXRDMHAJDFVGW-NVXWUHKLSA-N 1 0 395.956 3.487 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000245741139 1433509504 /nfs/dbraw/zinc/50/95/04/1433509504.db2.gz RNXRDMHAJDFVGW-DOTOQJQBSA-N 1 0 395.956 3.487 20 30 GGEDRO C[NH+]=C(NCc1ccc(OC(F)F)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245759715 1433513059 /nfs/dbraw/zinc/51/30/59/1433513059.db2.gz ZNBAFQLSKSOMRT-GVDBMIGSSA-N 1 0 379.451 3.301 20 30 GGEDRO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCc2ccccc21 ZINC000245838069 1433524254 /nfs/dbraw/zinc/52/42/54/1433524254.db2.gz BQLKKKBXNWTLRG-VQTJNVASSA-N 1 0 394.544 3.076 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245885989 1433533726 /nfs/dbraw/zinc/53/37/26/1433533726.db2.gz NVYPYWRRKCKPBV-MSOLQXFVSA-N 1 0 386.565 3.339 20 30 GGEDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000245926311 1433544690 /nfs/dbraw/zinc/54/46/90/1433544690.db2.gz HQVWKRGMTXOHGR-JBYIUTFZSA-N 1 0 393.535 3.032 20 30 GGEDRO Cn1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000246008371 1433557009 /nfs/dbraw/zinc/55/70/09/1433557009.db2.gz SQWHQUWGYXSMKT-UGKGYDQZSA-N 1 0 375.520 3.407 20 30 GGEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@@H](O)COc4ccc(C#N)cc4)C3)nc2c1 ZINC000246127600 1433572257 /nfs/dbraw/zinc/57/22/57/1433572257.db2.gz RCSSPABXGACLQU-RTBURBONSA-N 1 0 390.487 3.362 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246158520 1433576147 /nfs/dbraw/zinc/57/61/47/1433576147.db2.gz HJBHKUNXOZAFQK-MSOLQXFVSA-N 1 0 386.565 3.437 20 30 GGEDRO C[C@H]([N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1(C)CC1 ZINC000246164056 1433576681 /nfs/dbraw/zinc/57/66/81/1433576681.db2.gz QXWKZERFCKQAFX-DLBZAZTESA-N 1 0 398.551 3.476 20 30 GGEDRO C[C@@H]([N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1(C)CC1 ZINC000246164061 1433576783 /nfs/dbraw/zinc/57/67/83/1433576783.db2.gz QXWKZERFCKQAFX-IAGOWNOFSA-N 1 0 398.551 3.476 20 30 GGEDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246170768 1433577490 /nfs/dbraw/zinc/57/74/90/1433577490.db2.gz RYKYICCJIPFUHI-LQNXUBFPSA-N 1 0 388.471 3.161 20 30 GGEDRO CCOC[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000246224026 1433583823 /nfs/dbraw/zinc/58/38/23/1433583823.db2.gz PJYGNOYILYCQQW-LSDHHAIUSA-N 1 0 375.538 3.432 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000246235872 1433585164 /nfs/dbraw/zinc/58/51/64/1433585164.db2.gz NITXADFNXHKIFE-WZONZLPQSA-N 1 0 390.531 3.452 20 30 GGEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000246252700 1433586756 /nfs/dbraw/zinc/58/67/56/1433586756.db2.gz AAGMVEWIMGSXRF-LEWJYISDSA-N 1 0 378.476 3.268 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246272108 1433588323 /nfs/dbraw/zinc/58/83/23/1433588323.db2.gz VAFFRVPHDAWCAK-VQIMIIECSA-N 1 0 389.546 3.290 20 30 GGEDRO N#Cc1ccsc1N1CC[C@H](N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1=O ZINC000246365039 1433601099 /nfs/dbraw/zinc/60/10/99/1433601099.db2.gz HBEVIEKIHLMKAJ-IBGZPJMESA-N 1 0 398.507 3.072 20 30 GGEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246414804 1433608975 /nfs/dbraw/zinc/60/89/75/1433608975.db2.gz RRRZNCHEMUBPJX-CEXWTWQISA-N 1 0 398.551 3.097 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246426766 1433611207 /nfs/dbraw/zinc/61/12/07/1433611207.db2.gz CLBXAMXCSOHJSZ-NZQKXSOJSA-N 1 0 394.563 3.499 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246426778 1433611237 /nfs/dbraw/zinc/61/12/37/1433611237.db2.gz CLBXAMXCSOHJSZ-REWPJTCUSA-N 1 0 394.563 3.499 20 30 GGEDRO C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246449466 1433614592 /nfs/dbraw/zinc/61/45/92/1433614592.db2.gz OKYGSGQDQQLMTD-QZTJIDSGSA-N 1 0 384.524 3.231 20 30 GGEDRO CC1CC[NH+](C[C@H]2CCCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)CC1 ZINC000246495722 1433620997 /nfs/dbraw/zinc/62/09/97/1433620997.db2.gz PPAIDKGDNMEGAC-MJGOQNOKSA-N 1 0 386.565 3.169 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246545909 1433629032 /nfs/dbraw/zinc/62/90/32/1433629032.db2.gz KDWJWLBPWRSIIU-FGSXEWAUSA-N 1 0 398.526 3.410 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246563683 1433631937 /nfs/dbraw/zinc/63/19/37/1433631937.db2.gz LAUITVKRPLQGNM-KKVAFCGZSA-N 1 0 386.927 3.487 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000246590082 1433635510 /nfs/dbraw/zinc/63/55/10/1433635510.db2.gz CPRRRQUYHYNSPG-SJLPKXTDSA-N 1 0 379.426 3.183 20 30 GGEDRO COC(=O)[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000246599100 1433637603 /nfs/dbraw/zinc/63/76/03/1433637603.db2.gz XHASJKNPLYAVHN-VOQZNFBZSA-N 1 0 377.488 3.415 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000246601054 1433637779 /nfs/dbraw/zinc/63/77/79/1433637779.db2.gz QPSCTFONJBYFSB-LSDHHAIUSA-N 1 0 397.491 3.112 20 30 GGEDRO C[C@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000246625568 1433641212 /nfs/dbraw/zinc/64/12/12/1433641212.db2.gz ZCKDZPACSWTKBA-PXNSSMCTSA-N 1 0 394.544 3.321 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246781188 1433665298 /nfs/dbraw/zinc/66/52/98/1433665298.db2.gz QBTZKXMGHKTHOY-IEBWSBKVSA-N 1 0 375.538 3.142 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246809833 1433671742 /nfs/dbraw/zinc/67/17/42/1433671742.db2.gz NGPCEXLWMDIEHX-KCZVDYSFSA-N 1 0 384.451 3.025 20 30 GGEDRO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)C2=O)cc1 ZINC000246814147 1433672421 /nfs/dbraw/zinc/67/24/21/1433672421.db2.gz NKDJKMXRFHEIBA-FKBYEOEOSA-N 1 0 393.462 3.391 20 30 GGEDRO C=CCn1c(-c2ccncc2)nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000246904388 1433685491 /nfs/dbraw/zinc/68/54/91/1433685491.db2.gz GBFUFKVXRIDQNL-ZWKOTPCHSA-N 1 0 384.553 3.036 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247300533 1433702083 /nfs/dbraw/zinc/70/20/83/1433702083.db2.gz FDZDFCUEPKTXLF-DNVJHFABSA-N 1 0 388.515 3.217 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000247304835 1433702646 /nfs/dbraw/zinc/70/26/46/1433702646.db2.gz UZWLMASPQCXTKI-CRAIPNDOSA-N 1 0 386.565 3.243 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000247314411 1433704878 /nfs/dbraw/zinc/70/48/78/1433704878.db2.gz HKQQNXUCUMCJKC-PZJWPPBQSA-N 1 0 381.520 3.292 20 30 GGEDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247580811 1433739112 /nfs/dbraw/zinc/73/91/12/1433739112.db2.gz LKLAMZIPSFMWHO-IAGOWNOFSA-N 1 0 386.540 3.334 20 30 GGEDRO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000247887842 1433755118 /nfs/dbraw/zinc/75/51/18/1433755118.db2.gz UKDZKUHWIDHGFW-QHCPKHFHSA-N 1 0 393.531 3.123 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)CC[C@H]21 ZINC000247943311 1433757979 /nfs/dbraw/zinc/75/79/79/1433757979.db2.gz DEICKYMOZZTESN-FXAWDEMLSA-N 1 0 379.460 3.287 20 30 GGEDRO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000248059987 1433766825 /nfs/dbraw/zinc/76/68/25/1433766825.db2.gz PSISDFUFVCZBJS-HXUWFJFHSA-N 1 0 390.531 3.113 20 30 GGEDRO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000248059976 1433767038 /nfs/dbraw/zinc/76/70/38/1433767038.db2.gz PSISDFUFVCZBJS-FQEVSTJZSA-N 1 0 390.531 3.113 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248124432 1433771425 /nfs/dbraw/zinc/77/14/25/1433771425.db2.gz NTSMAQXLNQDUNN-FUDKSRODSA-N 1 0 382.552 3.027 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000248134586 1433773290 /nfs/dbraw/zinc/77/32/90/1433773290.db2.gz ZYKOKVYUZHAKQQ-QFIPXVFZSA-N 1 0 393.535 3.300 20 30 GGEDRO N#CCCn1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000248174328 1433777685 /nfs/dbraw/zinc/77/76/85/1433777685.db2.gz VHYJWYCRJOGQAX-VQTJNVASSA-N 1 0 392.507 3.315 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)NC1(C#N)CCCCC1 ZINC000248398895 1433796375 /nfs/dbraw/zinc/79/63/75/1433796375.db2.gz NZAIJHDKZSRLBG-NGRWLJPCSA-N 1 0 382.552 3.075 20 30 GGEDRO C=C(C)[C@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000248505424 1433806145 /nfs/dbraw/zinc/80/61/45/1433806145.db2.gz WMOQAQVPTPBGSV-KHYOSLBOSA-N 1 0 381.467 3.381 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000248507207 1433806322 /nfs/dbraw/zinc/80/63/22/1433806322.db2.gz YJURIXUQONWOAC-NVXWUHKLSA-N 1 0 395.956 3.487 20 30 GGEDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000248531881 1433807075 /nfs/dbraw/zinc/80/70/75/1433807075.db2.gz PNLZIWTZLGGXFU-QUCCMNQESA-N 1 0 382.460 3.152 20 30 GGEDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000248619710 1433811790 /nfs/dbraw/zinc/81/17/90/1433811790.db2.gz ZWIHLBBGKFIBGN-YESZJQIVSA-N 1 0 386.540 3.380 20 30 GGEDRO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000248687285 1433815348 /nfs/dbraw/zinc/81/53/48/1433815348.db2.gz AMINCHRBJIIZQV-GCJKJVERSA-N 1 0 385.508 3.233 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000248702070 1433816054 /nfs/dbraw/zinc/81/60/54/1433816054.db2.gz AJSKWHUXDWNRPF-LAUBAEHRSA-N 1 0 379.529 3.428 20 30 GGEDRO COC(=O)[C@H](C)[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000248757181 1433820310 /nfs/dbraw/zinc/82/03/10/1433820310.db2.gz PTJZKVADJYWYIK-CZAAIQMYSA-N 1 0 391.471 3.194 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](C[C@H]3CCCO3)[C@H]3CCSC3)C2=O)cc1 ZINC000248782423 1433822202 /nfs/dbraw/zinc/82/22/02/1433822202.db2.gz VNSPBRXZKHCBJJ-ZCNNSNEGSA-N 1 0 385.533 3.040 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000248781621 1433822260 /nfs/dbraw/zinc/82/22/60/1433822260.db2.gz BYMXVTOKEYUDGG-IEBWSBKVSA-N 1 0 393.491 3.406 20 30 GGEDRO CC[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000248847952 1433825503 /nfs/dbraw/zinc/82/55/03/1433825503.db2.gz NNDKXZNEAUHKIL-GOSISDBHSA-N 1 0 385.533 3.403 20 30 GGEDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000248847409 1433825605 /nfs/dbraw/zinc/82/56/05/1433825605.db2.gz BDORRROVACIZIH-JOCHJYFZSA-N 1 0 391.519 3.253 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000248864852 1433826590 /nfs/dbraw/zinc/82/65/90/1433826590.db2.gz ZMTLAVUSKSFMAR-LJQANCHMSA-N 1 0 385.895 3.164 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)C2=O)cc1 ZINC000248975992 1433831260 /nfs/dbraw/zinc/83/12/60/1433831260.db2.gz DWDOSPYZEAFZCH-ACRUOGEOSA-N 1 0 397.425 3.452 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000249100330 1433835177 /nfs/dbraw/zinc/83/51/77/1433835177.db2.gz URFOZCUMHZYHNL-PDSMFRHLSA-N 1 0 389.402 3.493 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000249100328 1433835212 /nfs/dbraw/zinc/83/52/12/1433835212.db2.gz URFOZCUMHZYHNL-NBHSMZAVSA-N 1 0 389.402 3.493 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000249125984 1433836535 /nfs/dbraw/zinc/83/65/35/1433836535.db2.gz XJFCBYGCFMMWFW-VHSSKADRSA-N 1 0 377.435 3.116 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000249417954 1433843323 /nfs/dbraw/zinc/84/33/23/1433843323.db2.gz WPIFLWIIDMZRFO-JKSUJKDBSA-N 1 0 390.553 3.390 20 30 GGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000249417756 1433843330 /nfs/dbraw/zinc/84/33/30/1433843330.db2.gz GTNYBDUTEZMANO-MBOZVWFJSA-N 1 0 398.551 3.476 20 30 GGEDRO C[C@H]1CN([C@H](C[NH2+]Cc2cc(C#N)n(C)c2)c2c(F)cccc2Cl)CCO1 ZINC000249601254 1433847785 /nfs/dbraw/zinc/84/77/85/1433847785.db2.gz OJPCEBVXPRVQAN-IFXJQAMLSA-N 1 0 390.890 3.241 20 30 GGEDRO C#CC[N@@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)[C@H]1CCc2ccccc21 ZINC000249731709 1433850250 /nfs/dbraw/zinc/85/02/50/1433850250.db2.gz UBISQEVQAPNOAK-OFNKIYASSA-N 1 0 378.472 3.007 20 30 GGEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000249735516 1433850400 /nfs/dbraw/zinc/85/04/00/1433850400.db2.gz VUUYTYUKJQOGLA-FUHWJXTLSA-N 1 0 392.507 3.083 20 30 GGEDRO CC1CC[NH+](C[C@H]2CCCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000251701406 1433860073 /nfs/dbraw/zinc/86/00/73/1433860073.db2.gz OCKSHLBGXJKNDT-IRLDBZIGSA-N 1 0 380.536 3.107 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000253607653 1433870361 /nfs/dbraw/zinc/87/03/61/1433870361.db2.gz PMEAZZAIYKYDRS-HSZRJFAPSA-N 1 0 380.532 3.363 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(c3ccccc3OC)C2=O)c(O)c1 ZINC000254915033 1433872437 /nfs/dbraw/zinc/87/24/37/1433872437.db2.gz RYMDHOHRJRFVJJ-OYADDEIPSA-N 1 0 381.476 3.471 20 30 GGEDRO CC(C)[C@H](NC(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000254941179 1433872647 /nfs/dbraw/zinc/87/26/47/1433872647.db2.gz OBDOLFBUPLRKPO-QHCPKHFHSA-N 1 0 395.503 3.387 20 30 GGEDRO C[C@@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000254943294 1433872687 /nfs/dbraw/zinc/87/26/87/1433872687.db2.gz DBVIBJRJAMMHSU-RTBURBONSA-N 1 0 395.503 3.182 20 30 GGEDRO C[C@@H](CNC(=O)[C@@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000254943293 1433872700 /nfs/dbraw/zinc/87/27/00/1433872700.db2.gz DBVIBJRJAMMHSU-RBUKOAKNSA-N 1 0 395.503 3.182 20 30 GGEDRO CCOc1cc(/C=C\C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1O ZINC000255035473 1433874692 /nfs/dbraw/zinc/87/46/92/1433874692.db2.gz DRYNSXIOMAJIOU-BENRWUELSA-N 1 0 393.487 3.266 20 30 GGEDRO Cc1ccc(Cl)cc1NC(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255040789 1433874696 /nfs/dbraw/zinc/87/46/96/1433874696.db2.gz DTASVVSGEYOIMA-UHFFFAOYSA-N 1 0 387.867 3.474 20 30 GGEDRO C#CCCOc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1 ZINC000255049393 1433875049 /nfs/dbraw/zinc/87/50/49/1433875049.db2.gz VYUMSKKGPSBAHY-NBVRZTHBSA-N 1 0 386.542 3.384 20 30 GGEDRO C[NH+](C)CCn1c2cc(N=Cc3cc4ccccc4[nH]c3=O)ccc2oc1=O ZINC000255107250 1433876444 /nfs/dbraw/zinc/87/64/44/1433876444.db2.gz BWLATFDXWQIACF-UHFFFAOYSA-N 1 0 376.416 3.161 20 30 GGEDRO CN(C(=O)/C=C\c1ccccc1C#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000255130628 1433877108 /nfs/dbraw/zinc/87/71/08/1433877108.db2.gz UEZRLEAXMMPAOW-KWQVGVJHSA-N 1 0 394.563 3.367 20 30 GGEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(OCc2ccccc2)c1 ZINC000255144736 1433877461 /nfs/dbraw/zinc/87/74/61/1433877461.db2.gz PSJXEOXQOXIQKM-DUPNKOKHSA-N 1 0 391.471 3.443 20 30 GGEDRO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000255337526 1433880731 /nfs/dbraw/zinc/88/07/31/1433880731.db2.gz ZUFFYSHVNIQILI-FPOVZHCZSA-N 1 0 385.508 3.055 20 30 GGEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000255354313 1433881053 /nfs/dbraw/zinc/88/10/53/1433881053.db2.gz XPEQGEJHRCZELU-RWNPKEDZSA-N 1 0 381.501 3.456 20 30 GGEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000255354312 1433881088 /nfs/dbraw/zinc/88/10/88/1433881088.db2.gz XPEQGEJHRCZELU-JLUOLNIDSA-N 1 0 381.501 3.456 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c(O)c1 ZINC000255503338 1433883780 /nfs/dbraw/zinc/88/37/80/1433883780.db2.gz PXJRDECPOCQOJJ-VKINRBECSA-N 1 0 395.503 3.337 20 30 GGEDRO CON=Cc1ccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000255566129 1433885357 /nfs/dbraw/zinc/88/53/57/1433885357.db2.gz AVMCGZHKWQZRND-SFHVURJKSA-N 1 0 395.503 3.297 20 30 GGEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255710748 1433888137 /nfs/dbraw/zinc/88/81/37/1433888137.db2.gz LMPDILUTVULDCQ-RTBURBONSA-N 1 0 395.503 3.448 20 30 GGEDRO CCN(CC)c1ccc(C=Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c(O)c1 ZINC000255713002 1433888392 /nfs/dbraw/zinc/88/83/92/1433888392.db2.gz PQUZPMWCLRGSIA-UHFFFAOYSA-N 1 0 396.491 3.459 20 30 GGEDRO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)N[C@@H](c1ccccc1)C1CC1 ZINC000255715127 1433888403 /nfs/dbraw/zinc/88/84/03/1433888403.db2.gz AZCWMZUASAMFNJ-QHCPKHFHSA-N 1 0 393.487 3.141 20 30 GGEDRO Cc1ccc(F)cc1NC(=O)[C@@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255753012 1433888970 /nfs/dbraw/zinc/88/89/70/1433888970.db2.gz DADWXDYCROQQCZ-MRXNPFEDSA-N 1 0 385.439 3.348 20 30 GGEDRO Cc1ccc([C@H](C)NC(=O)CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000255827769 1433889711 /nfs/dbraw/zinc/88/97/11/1433889711.db2.gz IZELVMTZATUQFH-IBGZPJMESA-N 1 0 395.503 3.368 20 30 GGEDRO C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000255955914 1433892720 /nfs/dbraw/zinc/89/27/20/1433892720.db2.gz MSAGXZHRPOXGEN-JKSUJKDBSA-N 1 0 381.442 3.477 20 30 GGEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000255958810 1433892792 /nfs/dbraw/zinc/89/27/92/1433892792.db2.gz QMLATNNJCBGEHK-JKSUJKDBSA-N 1 0 381.442 3.477 20 30 GGEDRO C[NH+]=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)N(C)C[C@H]1CCOC1 ZINC000261640278 1433897944 /nfs/dbraw/zinc/89/79/44/1433897944.db2.gz KWNKRUYRWGOVST-QGZVFWFLSA-N 1 0 387.524 3.161 20 30 GGEDRO C[NH+]=C(NCC1(c2ccc(Br)cc2)CCC1)N(C)C[C@@H]1CCOC1 ZINC000261633678 1433897989 /nfs/dbraw/zinc/89/79/89/1433897989.db2.gz JZCLEQVZJONDHA-HNNXBMFYSA-N 1 0 394.357 3.415 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CCC1)N(C)C[C@H]1CCOC1 ZINC000261650725 1433898100 /nfs/dbraw/zinc/89/81/00/1433898100.db2.gz MKSSFIUYEPZYDG-OAHLLOKOSA-N 1 0 394.357 3.415 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2)CCOCC1)N(C)Cc1cc(Cl)cn1C ZINC000261656828 1433898305 /nfs/dbraw/zinc/89/83/05/1433898305.db2.gz AFIAYJQPXDGVAQ-UHFFFAOYSA-N 1 0 388.943 3.434 20 30 GGEDRO C[NH+]=C(NC[C@H]1CCCS1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000261658889 1433898364 /nfs/dbraw/zinc/89/83/64/1433898364.db2.gz AKRNDNJGWVGQEJ-OAHLLOKOSA-N 1 0 381.973 3.449 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261686278 1433899070 /nfs/dbraw/zinc/89/90/70/1433899070.db2.gz IBKWGIUKPOMSAB-ZLKJLUDKSA-N 1 0 388.459 3.175 20 30 GGEDRO C[NH+]=C(NC[C@@H](C)N1CCc2sccc2C1)N1CCC(OC(C)(C)C)CC1 ZINC000261693093 1433899262 /nfs/dbraw/zinc/89/92/62/1433899262.db2.gz FIMMGLMPOPZIDK-MRXNPFEDSA-N 1 0 392.613 3.350 20 30 GGEDRO C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000261706335 1433899532 /nfs/dbraw/zinc/89/95/32/1433899532.db2.gz JQJKEVXBLMDNQD-PNJWGLBASA-N 1 0 397.563 3.198 20 30 GGEDRO CC[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261726033 1433900307 /nfs/dbraw/zinc/90/03/07/1433900307.db2.gz XJNFQHRODRPLER-ZLKJLUDKSA-N 1 0 388.459 3.175 20 30 GGEDRO CC[C@@H]1CN(C(NCc2nnc3n2CCCC3)=[NH+]C)CC[C@@H]1c1ccccc1 ZINC000261743779 1433901158 /nfs/dbraw/zinc/90/11/58/1433901158.db2.gz KXLXMYHVFJVFAY-MJGOQNOKSA-N 1 0 380.540 3.206 20 30 GGEDRO C[NH+]=C(N[C@H](C)c1cccc(-n2cccn2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261768067 1433902572 /nfs/dbraw/zinc/90/25/72/1433902572.db2.gz OXGWPDZGXVQYDG-UMSONDCASA-N 1 0 393.535 3.446 20 30 GGEDRO C[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CCSC2(CCCCC2)C1 ZINC000261774583 1433903487 /nfs/dbraw/zinc/90/34/87/1433903487.db2.gz OLVMZITUWWPNMG-UHFFFAOYSA-N 1 0 384.553 3.094 20 30 GGEDRO C[NH+]=C(NCc1cc(Br)cs1)N1CCC(OCC2CC2)CC1 ZINC000261795941 1433904476 /nfs/dbraw/zinc/90/44/76/1433904476.db2.gz QXEBQBUBGKKNBS-UHFFFAOYSA-N 1 0 386.359 3.477 20 30 GGEDRO C[NH+]=C(NCc1csc(Br)c1)N1CCC(OCC2CC2)CC1 ZINC000261796994 1433904603 /nfs/dbraw/zinc/90/46/03/1433904603.db2.gz RATVIMJDNFXTSR-UHFFFAOYSA-N 1 0 386.359 3.477 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000261813873 1433905001 /nfs/dbraw/zinc/90/50/01/1433905001.db2.gz SXXSGLBWLRZYHS-HKUYNNGSSA-N 1 0 380.540 3.206 20 30 GGEDRO CC[NH+]=C(NCC1CCSCC1)N(C)Cc1cc(Br)cn1C ZINC000261820985 1433905322 /nfs/dbraw/zinc/90/53/22/1433905322.db2.gz UMWIFQSTFWUIKG-UHFFFAOYSA-N 1 0 387.391 3.328 20 30 GGEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NC[C@@H]2CCCc3ccccc32)=[NH+]C)C1 ZINC000261815790 1433905571 /nfs/dbraw/zinc/90/55/71/1433905571.db2.gz TYKDRAVFASJEAK-RRQAFGEUSA-N 1 0 375.582 3.351 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)NC1CCN(c2ccccc2)CC1 ZINC000261820629 1433905585 /nfs/dbraw/zinc/90/55/85/1433905585.db2.gz UIMREJMILSSXAX-PWRODBHTSA-N 1 0 382.552 3.168 20 30 GGEDRO CNC(=O)CC1CCN(C(NCC2(c3cccs3)CCCCC2)=[NH+]C)CC1 ZINC000261825800 1433905782 /nfs/dbraw/zinc/90/57/82/1433905782.db2.gz UZVZOEMWOGZKCA-UHFFFAOYSA-N 1 0 390.597 3.374 20 30 GGEDRO CCc1cnc(CNC(N[C@@H]2CCN(c3cccc(Cl)c3)C2)=[NH+]C)s1 ZINC000261849198 1433907391 /nfs/dbraw/zinc/90/73/91/1433907391.db2.gz XDEOKDHNGXOPEC-CQSZACIVSA-N 1 0 377.945 3.303 20 30 GGEDRO C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261917869 1433912567 /nfs/dbraw/zinc/91/25/67/1433912567.db2.gz URIQADSHCOPJMX-LBPRGKRZSA-N 1 0 391.507 3.084 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CCSC3(CCCCC3)C2)n1C ZINC000261939235 1433914063 /nfs/dbraw/zinc/91/40/63/1433914063.db2.gz DFNWYSFAGDKWPP-UHFFFAOYSA-N 1 0 390.601 3.263 20 30 GGEDRO C[NH+]=C(NCc1ccc2c(c1)OCO2)NCc1ccccc1-n1nc(C)cc1C ZINC000261949312 1433915580 /nfs/dbraw/zinc/91/55/80/1433915580.db2.gz GUHKZRJECBJFLI-UHFFFAOYSA-N 1 0 391.475 3.083 20 30 GGEDRO CC[NH+]=C(NCc1nnc2n1CCCCC2)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261952086 1433915813 /nfs/dbraw/zinc/91/58/13/1433915813.db2.gz HRNFZQLXBLTZPH-QGZVFWFLSA-N 1 0 396.539 3.362 20 30 GGEDRO C[NH+]=C(NCc1ccc(Br)s1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261951509 1433915847 /nfs/dbraw/zinc/91/58/47/1433915847.db2.gz HMYYAQLFCKTALI-GXTWGEPZSA-N 1 0 396.358 3.366 20 30 GGEDRO CC[NH+]=C(NCc1c(C)nn(-c2ccccc2)c1C)N1CC[C@]2(CCOC2)C1 ZINC000261956239 1433915907 /nfs/dbraw/zinc/91/59/07/1433915907.db2.gz IVJMSJIZGVGPRE-QFIPXVFZSA-N 1 0 381.524 3.067 20 30 GGEDRO C[NH+]=C(NCc1ccc(Br)s1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261951510 1433915914 /nfs/dbraw/zinc/91/59/14/1433915914.db2.gz HMYYAQLFCKTALI-JSGCOSHPSA-N 1 0 396.358 3.366 20 30 GGEDRO Cc1nnc(CNC(NCc2cccs2)=[NH+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1C ZINC000261952724 1433916031 /nfs/dbraw/zinc/91/60/31/1433916031.db2.gz HUMOBZAFPFDPIG-GVDBMIGSSA-N 1 0 386.569 3.389 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[C@@H](Cc3ccccc3)C2)n1C ZINC000261963582 1433917145 /nfs/dbraw/zinc/91/71/45/1433917145.db2.gz KXDBWOQYJRYQIQ-IBGZPJMESA-N 1 0 380.540 3.076 20 30 GGEDRO C[NH+]=C(NCc1ccc(OC)cc1OC1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261964945 1433917244 /nfs/dbraw/zinc/91/72/44/1433917244.db2.gz LDEQYSGYVRROLA-JOCHJYFZSA-N 1 0 387.524 3.204 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261967117 1433917757 /nfs/dbraw/zinc/91/77/57/1433917757.db2.gz LSPXLHAWLYVFSL-NWDGAFQWSA-N 1 0 386.447 3.017 20 30 GGEDRO Cc1nnc(CNC(N[C@@H](C)c2ccc(F)cc2F)=[NH+]C2CCCC2)n1C ZINC000261970902 1433918138 /nfs/dbraw/zinc/91/81/38/1433918138.db2.gz MTCCZABFFJVWRP-LBPRGKRZSA-N 1 0 376.455 3.141 20 30 GGEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261975664 1433918802 /nfs/dbraw/zinc/91/88/02/1433918802.db2.gz NQRJDTFBZCZKEO-AEFFLSMTSA-N 1 0 396.539 3.006 20 30 GGEDRO CC[NH+]=C(NCc1ccc2c(c1)OCCCO2)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261986521 1433919473 /nfs/dbraw/zinc/91/94/73/1433919473.db2.gz QFIGKHUIQPPOKI-HKUYNNGSSA-N 1 0 397.523 3.093 20 30 GGEDRO CS[C@@H]1CCC[C@@H](NC(NCc2nnc(C)n2C)=[NH+]C2CCCCC2)C1 ZINC000261988920 1433919628 /nfs/dbraw/zinc/91/96/28/1433919628.db2.gz QWFSJMLIEXCYLV-IAGOWNOFSA-N 1 0 378.590 3.166 20 30 GGEDRO C[NH+]=C(NCc1ccc2c(c1)COC2)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000261993995 1433919942 /nfs/dbraw/zinc/91/99/42/1433919942.db2.gz SQSKMXPAJWULHM-GOSISDBHSA-N 1 0 394.302 3.422 20 30 GGEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000261991587 1433919967 /nfs/dbraw/zinc/91/99/67/1433919967.db2.gz MGLZIWZJANTNPC-UHFFFAOYSA-N 1 0 388.537 3.259 20 30 GGEDRO [NH2+]=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000261993830 1433920029 /nfs/dbraw/zinc/92/00/29/1433920029.db2.gz NBHDCLVUMRETFF-UHFFFAOYSA-N 1 0 393.487 3.379 20 30 GGEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261999028 1433920831 /nfs/dbraw/zinc/92/08/31/1433920831.db2.gz TYMSNCSGRNCXNZ-PWIZWCRZSA-N 1 0 381.524 3.288 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CCC(Cc3ccccc3)CC2)n1C ZINC000262000313 1433921121 /nfs/dbraw/zinc/92/11/21/1433921121.db2.gz UEFNKHKRJXILOT-UHFFFAOYSA-N 1 0 394.567 3.466 20 30 GGEDRO C[NH+]=C(NCC(C)(C)c1cccc(Br)c1)N1CC[C@]2(CCOC2)C1 ZINC000262005180 1433921160 /nfs/dbraw/zinc/92/11/60/1433921160.db2.gz VKVOTWWVOBGUJW-IBGZPJMESA-N 1 0 394.357 3.415 20 30 GGEDRO C=C(Br)CNC(NC[C@H](O)c1cc(Cl)cc(Cl)c1)=[NH+]C ZINC000262000781 1433921290 /nfs/dbraw/zinc/92/12/90/1433921290.db2.gz UAQPBCJUAGAPTM-LBPRGKRZSA-N 1 0 381.101 3.100 20 30 GGEDRO CC[NH+]=C(NCc1ccc(OC)c(Br)c1)N1CC[C@@]2(CCOC2)C1 ZINC000262009045 1433921655 /nfs/dbraw/zinc/92/16/55/1433921655.db2.gz WDSPBOITQLBFQI-GOSISDBHSA-N 1 0 396.329 3.036 20 30 GGEDRO C[NH+]=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CC[C@]2(CCOC2)C1 ZINC000262012300 1433921766 /nfs/dbraw/zinc/92/17/66/1433921766.db2.gz WWXZMPSHBGLNRG-NRFANRHFSA-N 1 0 384.455 3.201 20 30 GGEDRO C[NH+]=C(NCCc1ccc(-c2csc(C)n2)s1)N1CC[C@@]2(CCOC2)C1 ZINC000262012726 1433922060 /nfs/dbraw/zinc/92/20/60/1433922060.db2.gz XBMDEDDHFAOORN-LJQANCHMSA-N 1 0 390.578 3.410 20 30 GGEDRO C=CCOc1ccccc1CN(C(=O)[C@@H](C)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000262191122 1433930317 /nfs/dbraw/zinc/93/03/17/1433930317.db2.gz LZPNSZWHFWMOMJ-INIZCTEOSA-N 1 0 382.460 3.151 20 30 GGEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1ccc2ccccc2c1 ZINC000262230746 1433931714 /nfs/dbraw/zinc/93/17/14/1433931714.db2.gz NBUWJRLTLLDXBF-HOTGVXAUSA-N 1 0 385.533 3.033 20 30 GGEDRO CC[C@@H]1CCC[C@H]([NH+]=C(NCC(=O)N(C)C)N[C@H]2CCOc3ccccc32)C1 ZINC000262263999 1433932821 /nfs/dbraw/zinc/93/28/21/1433932821.db2.gz FKCFLKQWUSUYRN-AOIWGVFYSA-N 1 0 386.540 3.102 20 30 GGEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)N2CCOCC2)s1 ZINC000262276850 1433933444 /nfs/dbraw/zinc/93/34/44/1433933444.db2.gz JTYVMWGWRWMYCJ-INIZCTEOSA-N 1 0 380.464 3.135 20 30 GGEDRO Cc1cc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)cc(N2CCCC2)n1 ZINC000262302424 1433933967 /nfs/dbraw/zinc/93/39/67/1433933967.db2.gz OBJCRUWBBGNOQP-UHFFFAOYSA-N 1 0 381.480 3.078 20 30 GGEDRO CC1(C)CCC(C[NH+]=C(NC[C@@H]2CCS(=O)(=O)C2)NC2CCCC2)CC1 ZINC000262326533 1433935076 /nfs/dbraw/zinc/93/50/76/1433935076.db2.gz ABGOZDBMDITGTD-KRWDZBQOSA-N 1 0 383.602 3.115 20 30 GGEDRO [NH2+]=C(NCCOc1cccc(Br)c1)N[C@@H]1CCOc2ccccc21 ZINC000262340872 1433935528 /nfs/dbraw/zinc/93/55/28/1433935528.db2.gz AHTIAGAKYSTVCR-MRXNPFEDSA-N 1 0 390.281 3.256 20 30 GGEDRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccs1 ZINC000262342254 1433935929 /nfs/dbraw/zinc/93/59/29/1433935929.db2.gz XFDYMSFGFUGQDY-MWDXBVQZSA-N 1 0 376.570 3.401 20 30 GGEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC2(CCCC2)c2ccccc21 ZINC000262352036 1433936225 /nfs/dbraw/zinc/93/62/25/1433936225.db2.gz FIEXGHRLDLFHKN-KRWDZBQOSA-N 1 0 389.565 3.107 20 30 GGEDRO CC1(C)CCC([NH+]=C(NCc2cccs2)NC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000262351350 1433936250 /nfs/dbraw/zinc/93/62/50/1433936250.db2.gz FDUJLGCSVXXRHO-OAHLLOKOSA-N 1 0 397.610 3.187 20 30 GGEDRO CC[C@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)OCCc2ccccc21 ZINC000262366181 1433936628 /nfs/dbraw/zinc/93/66/28/1433936628.db2.gz KEWNSRCNORYRHW-JOCHJYFZSA-N 1 0 381.476 3.453 20 30 GGEDRO CCC1(CC)CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)c2ccccc21 ZINC000262375170 1433936955 /nfs/dbraw/zinc/93/69/55/1433936955.db2.gz JHXCGWDJGCCTSE-INIZCTEOSA-N 1 0 389.565 3.107 20 30 GGEDRO C[C@H](NC(=[NH2+])NCc1ccc2c(c1)C(=O)NCC2)c1ccc(Cl)cc1Cl ZINC000262386263 1433937453 /nfs/dbraw/zinc/93/74/53/1433937453.db2.gz PXSXWGONFYRUAA-NSHDSACASA-N 1 0 391.302 3.445 20 30 GGEDRO C[C@H]1C[C@H]([NH+]=C(NCc2cccs2)NC[C@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000262414056 1433938142 /nfs/dbraw/zinc/93/81/42/1433938142.db2.gz PUWYLHZKQOUHHQ-TWMKSMIVSA-N 1 0 397.610 3.043 20 30 GGEDRO Cc1ccc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+][C@@H]2CCCC[C@@H]2C)s1 ZINC000262417017 1433938363 /nfs/dbraw/zinc/93/83/63/1433938363.db2.gz QHYKBESNVYKCFJ-QILLFSRXSA-N 1 0 397.610 3.105 20 30 GGEDRO [NH2+]=C(NCc1ccc(C(=O)N2CCCCC2)cc1)N[C@H]1CCOc2ccccc21 ZINC000262423307 1433938446 /nfs/dbraw/zinc/93/84/46/1433938446.db2.gz AXEBRTHQHDZIFB-FQEVSTJZSA-N 1 0 392.503 3.241 20 30 GGEDRO Cc1cc(CNC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)ccc1Cl ZINC000262426035 1433938630 /nfs/dbraw/zinc/93/86/30/1433938630.db2.gz RQBCUXANFHJBIP-INIZCTEOSA-N 1 0 397.972 3.061 20 30 GGEDRO C[NH+]=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)N1CC[C@@H](COC)C1 ZINC000262431404 1433938838 /nfs/dbraw/zinc/93/88/38/1433938838.db2.gz FDDVWIPDAVJQAR-QGZVFWFLSA-N 1 0 387.524 3.161 20 30 GGEDRO CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCCC2(C1)CCCCCC2 ZINC000262433937 1433938875 /nfs/dbraw/zinc/93/88/75/1433938875.db2.gz SVKXTABRLJLJGN-GOSISDBHSA-N 1 0 383.602 3.213 20 30 GGEDRO CC1(C)CCC[C@H]([NH+]=C(NCc2cccs2)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000262439869 1433939054 /nfs/dbraw/zinc/93/90/54/1433939054.db2.gz UJZXIBIQXRYUIB-CVEARBPZSA-N 1 0 397.610 3.187 20 30 GGEDRO [NH2+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)Nc1cccc2c1CCCC2 ZINC000262462383 1433940111 /nfs/dbraw/zinc/94/01/11/1433940111.db2.gz MRRROEHTWKUCPD-UHFFFAOYSA-N 1 0 376.382 3.348 20 30 GGEDRO C[C@@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+][C@H]1CCC[C@@H](C)C1)c1cccs1 ZINC000262475625 1433940359 /nfs/dbraw/zinc/94/03/59/1433940359.db2.gz ZSBMEFLQBPJHRJ-NCOADZHNSA-N 1 0 397.610 3.358 20 30 GGEDRO C[C@@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1ccccc1Cl ZINC000262476263 1433940424 /nfs/dbraw/zinc/94/04/24/1433940424.db2.gz ZVUKCPZPVNYHHC-HUUCEWRRSA-N 1 0 397.972 3.314 20 30 GGEDRO C[NH+]=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)N1CC[C@@H](COC)C1 ZINC000262478609 1433940623 /nfs/dbraw/zinc/94/06/23/1433940623.db2.gz QVICBFFWLNIWMG-GOSISDBHSA-N 1 0 379.504 3.332 20 30 GGEDRO CC[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262482153 1433940681 /nfs/dbraw/zinc/94/06/81/1433940681.db2.gz RTGXTAADAFVTCL-MRXNPFEDSA-N 1 0 382.487 3.038 20 30 GGEDRO C[NH+]=C(NCc1nnc(-c2ccc(OC)cc2)[nH]1)N1CC[C@H](c2ccccc2)C1 ZINC000262502823 1433941526 /nfs/dbraw/zinc/94/15/26/1433941526.db2.gz YZSXXAUBJOGTMU-SFHVURJKSA-N 1 0 390.491 3.045 20 30 GGEDRO CC[NH+]=C(NCc1nnc2n1CCCCC2)NCc1oc2ccccc2c1C ZINC000262498516 1433941582 /nfs/dbraw/zinc/94/15/82/1433941582.db2.gz KJUYGNXUHNLLNC-UHFFFAOYSA-N 1 0 380.496 3.314 20 30 GGEDRO CCOC(=O)C1CCN(C(NCc2oc3ccc(F)cc3c2C)=[NH+]C)CC1 ZINC000262515053 1433941849 /nfs/dbraw/zinc/94/18/49/1433941849.db2.gz CMQHTDKMRXWAEI-UHFFFAOYSA-N 1 0 375.444 3.231 20 30 GGEDRO [NH2+]=C(NCc1ccnc(OC2CCOCC2)c1)Nc1cccc2c1CCCC2 ZINC000262520025 1433942210 /nfs/dbraw/zinc/94/22/10/1433942210.db2.gz IBJSIIWTADJLMG-UHFFFAOYSA-N 1 0 380.492 3.445 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)NCc1ccccc1Cl ZINC000262530369 1433942678 /nfs/dbraw/zinc/94/26/78/1433942678.db2.gz HZRXHEMYYMLYJH-UHFFFAOYSA-N 1 0 382.899 3.403 20 30 GGEDRO [NH2+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CCOc2ccccc21 ZINC000262553293 1433943217 /nfs/dbraw/zinc/94/32/17/1433943217.db2.gz UHJZVLLBRJAMRY-MRXNPFEDSA-N 1 0 387.867 3.082 20 30 GGEDRO C[NH+]=C(NCc1nc(-c2ccc(Cl)cc2)no1)NCc1nc(C)cs1 ZINC000262555582 1433943498 /nfs/dbraw/zinc/94/34/98/1433943498.db2.gz UWNSCDHTEQNXPJ-UHFFFAOYSA-N 1 0 376.873 3.020 20 30 GGEDRO O=S1(=O)CC[C@H](CNC(NCc2ccc(Cl)cc2)=[NH+]C2CCCCC2)C1 ZINC000262578053 1433944464 /nfs/dbraw/zinc/94/44/64/1433944464.db2.gz PEIRJYPKHWOLKV-MRXNPFEDSA-N 1 0 397.972 3.143 20 30 GGEDRO CC[NH+]=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)N1CCC(C)CC1 ZINC000262594769 1433945330 /nfs/dbraw/zinc/94/53/30/1433945330.db2.gz WHAIZUWRJKSCOJ-UHFFFAOYSA-N 1 0 387.524 3.161 20 30 GGEDRO C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000262645207 1433947709 /nfs/dbraw/zinc/94/77/09/1433947709.db2.gz UISLETUXNBGABY-GHTZIAJQSA-N 1 0 381.476 3.248 20 30 GGEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000262650270 1433947712 /nfs/dbraw/zinc/94/77/12/1433947712.db2.gz JGYJHQDQXKBENF-BJOHPYRUSA-N 1 0 380.316 3.227 20 30 GGEDRO C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000262645213 1433947714 /nfs/dbraw/zinc/94/77/14/1433947714.db2.gz UISLETUXNBGABY-RXVVDRJESA-N 1 0 381.476 3.248 20 30 GGEDRO C[C@@H]1CCCC[C@@H]1[NH+]=C(NCCc1ccco1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000262677868 1433949346 /nfs/dbraw/zinc/94/93/46/1433949346.db2.gz RTDPNWBCOUKEHH-HROGELHOSA-N 1 0 389.540 3.274 20 30 GGEDRO c1coc(CCNC(N[C@@H]2CCO[C@@]3(CCOC3)C2)=[NH+]C2CCCCC2)c1 ZINC000262698337 1433950405 /nfs/dbraw/zinc/95/04/05/1433950405.db2.gz YFZHACNWCMCODH-NQIIRXRSSA-N 1 0 375.513 3.028 20 30 GGEDRO c1coc(CCNC(N[C@@H]2CCO[C@]3(CCOC3)C2)=[NH+]C2CCCCC2)c1 ZINC000262698339 1433950438 /nfs/dbraw/zinc/95/04/38/1433950438.db2.gz YFZHACNWCMCODH-WIYYLYMNSA-N 1 0 375.513 3.028 20 30 GGEDRO C[NH+]=C(NCC1CCN(Cc2nc(C)c(C)o2)CC1)N1CCc2ccccc21 ZINC000262756649 1433953890 /nfs/dbraw/zinc/95/38/90/1433953890.db2.gz DODQXDSEIYJNNR-UHFFFAOYSA-N 1 0 381.524 3.142 20 30 GGEDRO C[NH+]=C(NCc1cnc(C)s1)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000262764207 1433954642 /nfs/dbraw/zinc/95/46/42/1433954642.db2.gz IXFREMZGUXQXPH-AWEZNQCLSA-N 1 0 393.944 3.057 20 30 GGEDRO C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N[C@@H]1CCOc2ccccc21 ZINC000262763282 1433954853 /nfs/dbraw/zinc/95/48/53/1433954853.db2.gz GQCYFSFZEHWHEE-GFCCVEGCSA-N 1 0 384.427 3.393 20 30 GGEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@@H](C)c1cc2ccccc2o1 ZINC000262786418 1433955842 /nfs/dbraw/zinc/95/58/42/1433955842.db2.gz MTBUJKZAYARFRY-GOEBONIOSA-N 1 0 380.496 3.211 20 30 GGEDRO C[NH+]=C(NCC1CCSCC1)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000262795299 1433956590 /nfs/dbraw/zinc/95/65/90/1433956590.db2.gz PDKBZLQSOLACGQ-MRXNPFEDSA-N 1 0 396.988 3.236 20 30 GGEDRO CC[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N1CCC2(C1)CCOCC2 ZINC000262792700 1433956734 /nfs/dbraw/zinc/95/67/34/1433956734.db2.gz OPFDWQPWHULTOH-UHFFFAOYSA-N 1 0 378.586 3.451 20 30 GGEDRO [NH2+]=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)Nc1ccc2c(c1)OCCCO2 ZINC000262801594 1433957441 /nfs/dbraw/zinc/95/74/41/1433957441.db2.gz MNDPJUNFTXEGER-PXAZEXFGSA-N 1 0 387.402 3.058 20 30 GGEDRO C[NH+]=C(NCc1ccnc(OC2CCOCC2)c1)N1CCC2(C1)CCCCC2 ZINC000262804208 1433957446 /nfs/dbraw/zinc/95/74/46/1433957446.db2.gz RSAINJBKNGELOE-UHFFFAOYSA-N 1 0 386.540 3.371 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000262808643 1433957843 /nfs/dbraw/zinc/95/78/43/1433957843.db2.gz UHYZVNKCHLCUIT-ROUUACIJSA-N 1 0 394.519 3.005 20 30 GGEDRO C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262851459 1433961509 /nfs/dbraw/zinc/96/15/09/1433961509.db2.gz ZPYCMDWMVLSDIM-CYBMUJFWSA-N 1 0 378.929 3.354 20 30 GGEDRO C[NH+]=C(NCc1ccc(Cl)s1)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000262851464 1433961558 /nfs/dbraw/zinc/96/15/58/1433961558.db2.gz ZPYCMDWMVLSDIM-ZDUSSCGKSA-N 1 0 378.929 3.354 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)NCc1cc(F)ccc1F ZINC000262864929 1433962603 /nfs/dbraw/zinc/96/26/03/1433962603.db2.gz ULIDFIXXHKAKGT-UHFFFAOYSA-N 1 0 384.434 3.028 20 30 GGEDRO [NH2+]=C(NCCOc1ccc(F)c(Cl)c1)Nc1ccc2c(c1)OCCCO2 ZINC000263044809 1433980280 /nfs/dbraw/zinc/98/02/80/1433980280.db2.gz CVJKQEBGWUHYIV-UHFFFAOYSA-N 1 0 379.819 3.446 20 30 GGEDRO [NH2+]=C(NC[C@H]1CCOC2(CCC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000263169462 1433991537 /nfs/dbraw/zinc/99/15/37/1433991537.db2.gz RUIWYUKYVLZAQJ-INIZCTEOSA-N 1 0 376.932 3.126 20 30 GGEDRO [NH2+]=C(NC[C@@H]1CCOC2(CCC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000263169464 1433991782 /nfs/dbraw/zinc/99/17/82/1433991782.db2.gz RUIWYUKYVLZAQJ-MRXNPFEDSA-N 1 0 376.932 3.126 20 30 GGEDRO CC[NH+]=C(NCc1cccc(CN2CCCC2=O)c1)N1CCc2ccccc21 ZINC000263266095 1433999760 /nfs/dbraw/zinc/99/97/60/1433999760.db2.gz VDZZTOCTJHWWHZ-UHFFFAOYSA-N 1 0 376.504 3.337 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC#Cc1ccccc1 ZINC000263694798 1434021954 /nfs/dbraw/zinc/02/19/54/1434021954.db2.gz LSSOGYWNPAFHCQ-QFIPXVFZSA-N 1 0 376.504 3.129 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1cccs1 ZINC000263949064 1434052245 /nfs/dbraw/zinc/05/22/45/1434052245.db2.gz DDSFEVKJELDWNU-SFHVURJKSA-N 1 0 398.532 3.194 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000263950276 1434052344 /nfs/dbraw/zinc/05/23/44/1434052344.db2.gz DORZOHWTTWGUTM-OAQYLSRUSA-N 1 0 392.503 3.133 20 30 GGEDRO CC1CC[NH+](CCCCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000263954650 1434052905 /nfs/dbraw/zinc/05/29/05/1434052905.db2.gz FUUDHDHCMLOVPJ-UHFFFAOYSA-N 1 0 398.551 3.342 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000263954871 1434052942 /nfs/dbraw/zinc/05/29/42/1434052942.db2.gz GRJOZFHQOMFIRN-FQEVSTJZSA-N 1 0 398.551 3.484 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000263954875 1434052992 /nfs/dbraw/zinc/05/29/92/1434052992.db2.gz GRJOZFHQOMFIRN-HXUWFJFHSA-N 1 0 398.551 3.484 20 30 GGEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000263966719 1434054705 /nfs/dbraw/zinc/05/47/05/1434054705.db2.gz NKDVBUMOMKRACY-FQEVSTJZSA-N 1 0 398.551 3.342 20 30 GGEDRO C[N@H+](CCOc1cccc(CNC(=O)C2(C#N)CCCCC2)c1)C1CCOCC1 ZINC000263973944 1434056035 /nfs/dbraw/zinc/05/60/35/1434056035.db2.gz YIJJGLZKUVBXRJ-UHFFFAOYSA-N 1 0 399.535 3.266 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000263998332 1434059568 /nfs/dbraw/zinc/05/95/68/1434059568.db2.gz MQYNVQBXEBIEKH-CHWSQXEVSA-N 1 0 396.878 3.408 20 30 GGEDRO N#CCOc1cccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000264048712 1434066257 /nfs/dbraw/zinc/06/62/57/1434066257.db2.gz DNYSXQLQJHHLTG-LJQANCHMSA-N 1 0 378.476 3.275 20 30 GGEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000264076416 1434069755 /nfs/dbraw/zinc/06/97/55/1434069755.db2.gz FVZJNDDVDWSONW-AWEZNQCLSA-N 1 0 392.500 3.078 20 30 GGEDRO CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1 ZINC000264078774 1434069816 /nfs/dbraw/zinc/06/98/16/1434069816.db2.gz GNTJMMNFVGHNMX-AWEZNQCLSA-N 1 0 384.480 3.159 20 30 GGEDRO CCCC(=O)Nc1ccc(CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)cc1 ZINC000264078906 1434069842 /nfs/dbraw/zinc/06/98/42/1434069842.db2.gz GUAWFESMQSTWBZ-UHFFFAOYSA-N 1 0 398.507 3.089 20 30 GGEDRO CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1 ZINC000264078775 1434069909 /nfs/dbraw/zinc/06/99/09/1434069909.db2.gz GNTJMMNFVGHNMX-CQSZACIVSA-N 1 0 384.480 3.159 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCc2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000264084303 1434070268 /nfs/dbraw/zinc/07/02/68/1434070268.db2.gz JDYZWJCTYJIVKW-UHFFFAOYSA-N 1 0 393.491 3.111 20 30 GGEDRO [NH2+]=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc2c(c1)CCC2 ZINC000264085398 1434070463 /nfs/dbraw/zinc/07/04/63/1434070463.db2.gz JFIUQLUFANNIMS-UHFFFAOYSA-N 1 0 378.520 3.311 20 30 GGEDRO [NH2+]=C(NC[C@H]1CCN(CC(F)(F)F)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000264090069 1434070804 /nfs/dbraw/zinc/07/08/04/1434070804.db2.gz KTMJFCUOBZNVPZ-SNVBAGLBSA-N 1 0 384.324 3.196 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCc2cccc(NC(=O)CC(C)C)c2)cc1OC ZINC000264092752 1434071165 /nfs/dbraw/zinc/07/11/65/1434071165.db2.gz LJGADXXVQCYUFD-UHFFFAOYSA-N 1 0 398.507 3.293 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000264095195 1434071378 /nfs/dbraw/zinc/07/13/78/1434071378.db2.gz FGHDSHFILWYGDN-INIZCTEOSA-N 1 0 394.519 3.454 20 30 GGEDRO COc1ccc(OC)c([C@H](O)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000264101445 1434071830 /nfs/dbraw/zinc/07/18/30/1434071830.db2.gz OCZAZXJJIZTBSF-OAHLLOKOSA-N 1 0 399.369 3.063 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccc(F)cc3)CCOCC2)cc1OC ZINC000264131893 1434074362 /nfs/dbraw/zinc/07/43/62/1434074362.db2.gz YDVWNEGRGGCBFL-UHFFFAOYSA-N 1 0 387.455 3.318 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000264135291 1434074556 /nfs/dbraw/zinc/07/45/56/1434074556.db2.gz ZDRYXGZQFLWEOW-LJQANCHMSA-N 1 0 378.476 3.135 20 30 GGEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3ccc(C#N)cc3)CC2)c1C ZINC000264165800 1434077481 /nfs/dbraw/zinc/07/74/81/1434077481.db2.gz VCBHLDGTRPDEBF-UHFFFAOYSA-N 1 0 392.503 3.315 20 30 GGEDRO N#CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000264179816 1434078774 /nfs/dbraw/zinc/07/87/74/1434078774.db2.gz YIWNZQRFKWROKR-UHFFFAOYSA-N 1 0 381.451 3.256 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NCCCCCCC[NH+]2CCCC2)cc1Cl ZINC000264270538 1434090448 /nfs/dbraw/zinc/09/04/48/1434090448.db2.gz RRHFDDXSEIODJL-UHFFFAOYSA-N 1 0 390.915 3.313 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CC)Cc2ccc(OC)c(OC)c2)CC1 ZINC000264352028 1434100466 /nfs/dbraw/zinc/10/04/66/1434100466.db2.gz DEEQLGGWAIWPPT-UHFFFAOYSA-N 1 0 375.513 3.276 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000264356866 1434101256 /nfs/dbraw/zinc/10/12/56/1434101256.db2.gz FJNJFCRBIAGCTG-INIZCTEOSA-N 1 0 384.524 3.436 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CC1 ZINC000264412998 1434109232 /nfs/dbraw/zinc/10/92/32/1434109232.db2.gz IDJRIZCEPNYJFP-GOSISDBHSA-N 1 0 399.293 3.378 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(COCCOCC)c2)CC1 ZINC000264415559 1434109500 /nfs/dbraw/zinc/10/95/00/1434109500.db2.gz VHOGWDREBPQCFQ-UHFFFAOYSA-N 1 0 389.540 3.079 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000264437943 1434112488 /nfs/dbraw/zinc/11/24/88/1434112488.db2.gz YUQRUSVJZZDDIU-ROUUACIJSA-N 1 0 386.540 3.462 20 30 GGEDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000264449725 1434114209 /nfs/dbraw/zinc/11/42/09/1434114209.db2.gz CSDHUGWRGKKKHV-IBGZPJMESA-N 1 0 395.528 3.301 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000264457983 1434115389 /nfs/dbraw/zinc/11/53/89/1434115389.db2.gz FDBMVTJQGSCXRS-UHFFFAOYSA-N 1 0 387.487 3.315 20 30 GGEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)ccc1OCc1ccncc1 ZINC000264908008 1434163791 /nfs/dbraw/zinc/16/37/91/1434163791.db2.gz YBLFDMZFKAQQSA-DLBZAZTESA-N 1 0 396.491 3.080 20 30 GGEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[NH+](C4CCC4)CC3)s2)cc1 ZINC000264956896 1434167569 /nfs/dbraw/zinc/16/75/69/1434167569.db2.gz MSPZYQMZXVNQOE-UHFFFAOYSA-N 1 0 381.505 3.308 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)cc1 ZINC000264985601 1434171516 /nfs/dbraw/zinc/17/15/16/1434171516.db2.gz VVLFEYFQJAHERA-UHFFFAOYSA-N 1 0 391.515 3.047 20 30 GGEDRO CC(C)[NH+](CCNC(=O)C1CCN(c2ncc(C#N)cc2Cl)CC1)C(C)C ZINC000265110614 1434186028 /nfs/dbraw/zinc/18/60/28/1434186028.db2.gz HJPAMLQPCJFGPH-UHFFFAOYSA-N 1 0 391.947 3.058 20 30 GGEDRO N#C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000265122637 1434187477 /nfs/dbraw/zinc/18/74/77/1434187477.db2.gz HNJHASCMZUEBCE-HSZRJFAPSA-N 1 0 388.515 3.133 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](C4CCC4)CC3)sc2C1 ZINC000265135090 1434189095 /nfs/dbraw/zinc/18/90/95/1434189095.db2.gz ODRHLMMAYXBNCW-HNNXBMFYSA-N 1 0 386.565 3.243 20 30 GGEDRO N#Cc1ccc(N2CC[C@H]([NH2+]CC3(c4ccc(F)cc4)CCOCC3)C2=O)cc1 ZINC000265146452 1434190350 /nfs/dbraw/zinc/19/03/50/1434190350.db2.gz KHQFWCLTODGYNJ-NRFANRHFSA-N 1 0 393.462 3.141 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)CC1 ZINC000265643996 1434253002 /nfs/dbraw/zinc/25/30/02/1434253002.db2.gz SMWQMFWOIXJIER-ZWKOTPCHSA-N 1 0 389.496 3.017 20 30 GGEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265876423 1434276730 /nfs/dbraw/zinc/27/67/30/1434276730.db2.gz WZBIIPDZAUESTE-CRAIPNDOSA-N 1 0 386.496 3.122 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000265951751 1434287842 /nfs/dbraw/zinc/28/78/42/1434287842.db2.gz NQZPIGJHJHUPOV-QFIPXVFZSA-N 1 0 394.519 3.145 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC3(CCOCC3)C2)c(OC)c1 ZINC000265985619 1434292702 /nfs/dbraw/zinc/29/27/02/1434292702.db2.gz CXAWTXVQZDDEPB-IBGZPJMESA-N 1 0 375.509 3.056 20 30 GGEDRO COCCCOC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000266001015 1434295075 /nfs/dbraw/zinc/29/50/75/1434295075.db2.gz NONIJTKIZSBONQ-LJQANCHMSA-N 1 0 387.524 3.148 20 30 GGEDRO C=CCOCCCC(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000266323516 1434320307 /nfs/dbraw/zinc/32/03/07/1434320307.db2.gz XCLXIGIDCZAMHH-UHFFFAOYSA-N 1 0 378.513 3.015 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)CC(=O)N2C ZINC000266462416 1434339988 /nfs/dbraw/zinc/33/99/88/1434339988.db2.gz MLADPBOWYIFQTD-SJORKVTESA-N 1 0 390.487 3.191 20 30 GGEDRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000266513123 1434345215 /nfs/dbraw/zinc/34/52/15/1434345215.db2.gz YCJJMTQJFICOGP-JKSUJKDBSA-N 1 0 381.476 3.273 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC3(C2)CCOCC3)ccc1Cl ZINC000266600715 1434353164 /nfs/dbraw/zinc/35/31/64/1434353164.db2.gz CYPDJIGJFHUVCX-UHFFFAOYSA-N 1 0 375.900 3.398 20 30 GGEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)C1 ZINC000266637780 1434357361 /nfs/dbraw/zinc/35/73/61/1434357361.db2.gz KFUNJDHGFXLBES-GOSISDBHSA-N 1 0 393.487 3.491 20 30 GGEDRO Cc1nnc(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2)o1 ZINC000266794466 1434375917 /nfs/dbraw/zinc/37/59/17/1434375917.db2.gz BVGDSBLXEGPCRX-UHFFFAOYSA-N 1 0 389.459 3.121 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000266823452 1434379108 /nfs/dbraw/zinc/37/91/08/1434379108.db2.gz XTYWJTNCUDCAGF-HNNXBMFYSA-N 1 0 399.495 3.146 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266840212 1434380877 /nfs/dbraw/zinc/38/08/77/1434380877.db2.gz GPFQUVKVMQHVFO-JKSUJKDBSA-N 1 0 387.505 3.251 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2c1cccc2O ZINC000266860165 1434382746 /nfs/dbraw/zinc/38/27/46/1434382746.db2.gz YXNSSMKOYPTMPL-FQEVSTJZSA-N 1 0 378.476 3.025 20 30 GGEDRO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000266952392 1434392159 /nfs/dbraw/zinc/39/21/59/1434392159.db2.gz HJHJUOGBWJERGX-SIKLNZKXSA-N 1 0 395.503 3.256 20 30 GGEDRO C=CCc1cc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc(OC)c1OC ZINC000266982994 1434395605 /nfs/dbraw/zinc/39/56/05/1434395605.db2.gz GHARUODSSNFUFV-UHFFFAOYSA-N 1 0 390.524 3.052 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000266988577 1434396372 /nfs/dbraw/zinc/39/63/72/1434396372.db2.gz WTYPSAACMAEYBX-YLJYHZDGSA-N 1 0 398.894 3.216 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000267067357 1434404803 /nfs/dbraw/zinc/40/48/03/1434404803.db2.gz RPWTUHPVJAEEMA-SFHVURJKSA-N 1 0 393.597 3.130 20 30 GGEDRO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000267069996 1434404965 /nfs/dbraw/zinc/40/49/65/1434404965.db2.gz QMMQXSUPOXLGGX-DLBZAZTESA-N 1 0 390.409 3.267 20 30 GGEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000267089032 1434406750 /nfs/dbraw/zinc/40/67/50/1434406750.db2.gz UJEFGKNRBWLFNS-UHFFFAOYSA-N 1 0 389.540 3.282 20 30 GGEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2=O)c1 ZINC000267114429 1434408274 /nfs/dbraw/zinc/40/82/74/1434408274.db2.gz RWENDACGJICDHT-VFNWGFHPSA-N 1 0 395.459 3.062 20 30 GGEDRO N#Cc1cc([N+](=O)[O-])cnc1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267145466 1434410496 /nfs/dbraw/zinc/41/04/96/1434410496.db2.gz ATTJYQQNZRGHAD-UHFFFAOYSA-N 1 0 395.463 3.345 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC2CC2)[n+]2ccc(N(C)C)cc2)c(F)cc1F ZINC000267228901 1434415448 /nfs/dbraw/zinc/41/54/48/1434415448.db2.gz AEYHKHNCLYSOPM-UHFFFAOYSA-O 1 0 390.479 3.318 20 30 GGEDRO CCOc1ccccc1NC(=O)[C@H](C)O/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000267266385 1434418020 /nfs/dbraw/zinc/41/80/20/1434418020.db2.gz YIUSTCCQKOQVKU-CSUZIONRSA-N 1 0 397.475 3.300 20 30 GGEDRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000267290851 1434419898 /nfs/dbraw/zinc/41/98/98/1434419898.db2.gz CAMINONVIJCQRW-KRWDZBQOSA-N 1 0 392.503 3.075 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(CO)c2)c(F)cc1F ZINC000267309508 1434421392 /nfs/dbraw/zinc/42/13/92/1434421392.db2.gz LOYPGCSLJXUSLI-UHFFFAOYSA-O 1 0 393.479 3.380 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000267310989 1434421649 /nfs/dbraw/zinc/42/16/49/1434421649.db2.gz IEPYKJPIXVQXPO-AVRDEDQJSA-N 1 0 392.503 3.299 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)C(C)C ZINC000267333653 1434423458 /nfs/dbraw/zinc/42/34/58/1434423458.db2.gz MHTNWUINLYDLBM-CCLHPLFOSA-N 1 0 391.581 3.264 20 30 GGEDRO C[C@@H]1C[N@@H+](CCC2CCN(c3c(C#N)nnc4ccccc43)CC2)C[C@H](C)O1 ZINC000267421613 1434431068 /nfs/dbraw/zinc/43/10/68/1434431068.db2.gz UPXKKQDBKBZYEL-CALCHBBNSA-N 1 0 379.508 3.217 20 30 GGEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2c(F)cccc2F)N(C)C)cc1OC ZINC000267435061 1434432440 /nfs/dbraw/zinc/43/24/40/1434432440.db2.gz NQMNBLCOIFVGFI-HNNXBMFYSA-N 1 0 378.423 3.012 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCc2nc(C(C)(C)C)cs2)cc1OC ZINC000267439752 1434433286 /nfs/dbraw/zinc/43/32/86/1434433286.db2.gz OWCXIFMPYTXUPR-UHFFFAOYSA-N 1 0 376.526 3.105 20 30 GGEDRO CN(C)C(=O)c1cccc(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000267460958 1434435956 /nfs/dbraw/zinc/43/59/56/1434435956.db2.gz VDFDYWNQNVTQKY-UHFFFAOYSA-N 1 0 394.397 3.256 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1OC ZINC000267476900 1434438373 /nfs/dbraw/zinc/43/83/73/1434438373.db2.gz WVBKOISCQUUXPI-LJQANCHMSA-N 1 0 393.491 3.480 20 30 GGEDRO Cn1c2ccccc2nc1[C@H]1CCCN1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000267548882 1434445036 /nfs/dbraw/zinc/44/50/36/1434445036.db2.gz OXHGLJPAUAEGGR-DYESRHJHSA-N 1 0 376.460 3.022 20 30 GGEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000267546850 1434445163 /nfs/dbraw/zinc/44/51/63/1434445163.db2.gz BUIIEYROPCAYKZ-XJKSGUPXSA-N 1 0 385.489 3.402 20 30 GGEDRO N#CC1(NC(=O)CN(Cc2ccccc2)C[C@H](O)c2ccco2)CCCCC1 ZINC000267700018 1434456438 /nfs/dbraw/zinc/45/64/38/1434456438.db2.gz ISUBBTGHGYTVHN-IBGZPJMESA-N 1 0 381.476 3.158 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1csc([C@H](C)OC)n1)C(C)C ZINC000267732089 1434459359 /nfs/dbraw/zinc/45/93/59/1434459359.db2.gz ADTRXUMAIZPKPQ-DOTOQJQBSA-N 1 0 380.558 3.348 20 30 GGEDRO COc1cc(/C=C/C(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1OCC#N ZINC000267748726 1434460933 /nfs/dbraw/zinc/46/09/33/1434460933.db2.gz QSPXZODWKMMVHF-VQHVLOKHSA-N 1 0 399.516 3.263 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000267926417 1434477858 /nfs/dbraw/zinc/47/78/58/1434477858.db2.gz KVOCNDPRISTBDT-UHFFFAOYSA-N 1 0 388.512 3.270 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000267967679 1434482195 /nfs/dbraw/zinc/48/21/95/1434482195.db2.gz ZQKMPOSEVFOOCX-UHFFFAOYSA-N 1 0 397.523 3.200 20 30 GGEDRO C[NH+](C)Cc1ccsc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000268000170 1434485745 /nfs/dbraw/zinc/48/57/45/1434485745.db2.gz CTABLUZYQYUZJU-UHFFFAOYSA-N 1 0 382.533 3.029 20 30 GGEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000268010546 1434486654 /nfs/dbraw/zinc/48/66/54/1434486654.db2.gz PFOMKCZSXWGLGQ-KDURUIRLSA-N 1 0 387.524 3.113 20 30 GGEDRO C[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@@H]1[NH+](C)C ZINC000268273379 1434507172 /nfs/dbraw/zinc/50/71/72/1434507172.db2.gz WSZHBEKOYIPOKJ-QRWLVFNGSA-N 1 0 391.475 3.224 20 30 GGEDRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000268314534 1434511421 /nfs/dbraw/zinc/51/14/21/1434511421.db2.gz YSDAZTSGEUPVNE-UHFFFAOYSA-N 1 0 381.476 3.318 20 30 GGEDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000268489837 1434527148 /nfs/dbraw/zinc/52/71/48/1434527148.db2.gz REKKHWZSWUXPAS-UHFFFAOYSA-N 1 0 393.487 3.316 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000268661416 1434545164 /nfs/dbraw/zinc/54/51/64/1434545164.db2.gz RJAWJAFKBLEFAT-CQSZACIVSA-N 1 0 387.459 3.195 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1 ZINC000268815401 1434560460 /nfs/dbraw/zinc/56/04/60/1434560460.db2.gz KDXAZZCEOALFCJ-KRWDZBQOSA-N 1 0 396.487 3.025 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1 ZINC000268815402 1434560521 /nfs/dbraw/zinc/56/05/21/1434560521.db2.gz KDXAZZCEOALFCJ-QGZVFWFLSA-N 1 0 396.487 3.025 20 30 GGEDRO N#Cc1ccnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268889422 1434567846 /nfs/dbraw/zinc/56/78/46/1434567846.db2.gz XWNWALKXRCJFNN-RTBURBONSA-N 1 0 377.448 3.352 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(F)F)ccc2Cl)CC1 ZINC000269093271 1434590934 /nfs/dbraw/zinc/59/09/34/1434590934.db2.gz LLZJDBIQZXCSBV-UHFFFAOYSA-N 1 0 385.842 3.373 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC000269095292 1434591260 /nfs/dbraw/zinc/59/12/60/1434591260.db2.gz MALUVAMLUXYKDW-UHFFFAOYSA-N 1 0 388.899 3.063 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)c(Cl)c1 ZINC000269103007 1434592243 /nfs/dbraw/zinc/59/22/43/1434592243.db2.gz OMSPOXUQCWSGCA-UHFFFAOYSA-N 1 0 396.878 3.062 20 30 GGEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269123091 1434594965 /nfs/dbraw/zinc/59/49/65/1434594965.db2.gz JSWRGDROQXZVFR-HOTGVXAUSA-N 1 0 389.931 3.234 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000269132626 1434595744 /nfs/dbraw/zinc/59/57/44/1434595744.db2.gz LQMAUQYXBJAQBC-YOEHRIQHSA-N 1 0 378.904 3.470 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000269140623 1434596641 /nfs/dbraw/zinc/59/66/41/1434596641.db2.gz OCKGGZVJDNETCN-QZTJIDSGSA-N 1 0 376.888 3.101 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(Cl)c1 ZINC000269146802 1434597454 /nfs/dbraw/zinc/59/74/54/1434597454.db2.gz PPYQBRDESDEMFV-MJGOQNOKSA-N 1 0 398.894 3.216 20 30 GGEDRO CCC(CC)n1ccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)n1 ZINC000269353341 1434629885 /nfs/dbraw/zinc/62/98/85/1434629885.db2.gz SOIJFLWMSLXUEK-UHFFFAOYSA-N 1 0 385.512 3.042 20 30 GGEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)C[C@@H](C)O1 ZINC000269459862 1434648860 /nfs/dbraw/zinc/64/88/60/1434648860.db2.gz XSALEONBLJMJMP-HZPDHXFCSA-N 1 0 381.451 3.237 20 30 GGEDRO C#CCOc1ccccc1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000269602496 1434662823 /nfs/dbraw/zinc/66/28/23/1434662823.db2.gz IYDUIKRYJTYWAX-SFHVURJKSA-N 1 0 392.503 3.118 20 30 GGEDRO Cn1cc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c(C(F)(F)F)n1 ZINC000269614415 1434663809 /nfs/dbraw/zinc/66/38/09/1434663809.db2.gz KXYYLBAYFJDSQX-UHFFFAOYSA-N 1 0 379.308 3.062 20 30 GGEDRO COc1cc(OC)cc([C@@H](O)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000269657114 1434667282 /nfs/dbraw/zinc/66/72/82/1434667282.db2.gz VLYANIRASHICIC-HNNXBMFYSA-N 1 0 399.369 3.063 20 30 GGEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269679437 1434668726 /nfs/dbraw/zinc/66/87/26/1434668726.db2.gz MRPLTJSMGYCUFP-QGZVFWFLSA-N 1 0 389.503 3.467 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)c(C)c2)C(=S)NC[C@@H]2CCOC2)c1 ZINC000269731485 1434672609 /nfs/dbraw/zinc/67/26/09/1434672609.db2.gz XTFDVWPASJOTFK-INIZCTEOSA-O 1 0 387.500 3.295 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1C#N ZINC000269811364 1434677696 /nfs/dbraw/zinc/67/76/96/1434677696.db2.gz FPLZXXWKUNHDKY-UHFFFAOYSA-N 1 0 387.484 3.369 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1C#N ZINC000269833939 1434679680 /nfs/dbraw/zinc/67/96/80/1434679680.db2.gz MLJWNHBABPUAGW-KRWDZBQOSA-N 1 0 385.468 3.219 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000269866383 1434682585 /nfs/dbraw/zinc/68/25/85/1434682585.db2.gz WNOKZQDTDSAJCS-RDTXWAMCSA-N 1 0 385.468 3.075 20 30 GGEDRO C#CC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000270164431 1434708562 /nfs/dbraw/zinc/70/85/62/1434708562.db2.gz BLAFMFWTYYAVST-HSZRJFAPSA-N 1 0 391.515 3.207 20 30 GGEDRO C#CC[C@@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000270163246 1434708700 /nfs/dbraw/zinc/70/87/00/1434708700.db2.gz AKZBZKDWFJNTHR-HSZRJFAPSA-N 1 0 390.531 3.495 20 30 GGEDRO COC(=O)CCSc1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000270237294 1434715637 /nfs/dbraw/zinc/71/56/37/1434715637.db2.gz QZIIMGNXIBDKEY-UHFFFAOYSA-N 1 0 392.525 3.041 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000270289399 1434720157 /nfs/dbraw/zinc/72/01/57/1434720157.db2.gz ZLFJFKJDWSLMRY-INIZCTEOSA-N 1 0 399.495 3.322 20 30 GGEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 ZINC000270357414 1434726106 /nfs/dbraw/zinc/72/61/06/1434726106.db2.gz FNPDMPFYRNFGEY-UHFFFAOYSA-N 1 0 390.491 3.159 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000270486024 1434738167 /nfs/dbraw/zinc/73/81/67/1434738167.db2.gz JGFWRTKKNZAATI-QFIPXVFZSA-N 1 0 377.488 3.266 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000270486020 1434738192 /nfs/dbraw/zinc/73/81/92/1434738192.db2.gz JGFWRTKKNZAATI-JOCHJYFZSA-N 1 0 377.488 3.266 20 30 GGEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)CC1 ZINC000270687589 1434762232 /nfs/dbraw/zinc/76/22/32/1434762232.db2.gz ZPQCSOMNQWVXCV-QFIPXVFZSA-N 1 0 397.567 3.231 20 30 GGEDRO CC(C)(C)[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000270709410 1434764801 /nfs/dbraw/zinc/76/48/01/1434764801.db2.gz ZZTUMDQIWUCTQX-NHCUHLMSSA-N 1 0 398.551 3.369 20 30 GGEDRO CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000270709424 1434764915 /nfs/dbraw/zinc/76/49/15/1434764915.db2.gz ZZTUMDQIWUCTQX-SFTDATJTSA-N 1 0 398.551 3.369 20 30 GGEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000270912445 1434787521 /nfs/dbraw/zinc/78/75/21/1434787521.db2.gz XLDLZABMPVFTGH-UHFFFAOYSA-N 1 0 388.512 3.191 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000270919260 1434788060 /nfs/dbraw/zinc/78/80/60/1434788060.db2.gz FFMYCJNMUQAVRS-UHFFFAOYSA-N 1 0 387.524 3.306 20 30 GGEDRO COCC[N@H+](C)CCCC1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000270922953 1434788240 /nfs/dbraw/zinc/78/82/40/1434788240.db2.gz FOQNYGNFFDEOPQ-JXMROGBWSA-N 1 0 399.535 3.199 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000270951218 1434790348 /nfs/dbraw/zinc/79/03/48/1434790348.db2.gz XMNKKPTZJASPHZ-UXHICEINSA-N 1 0 386.540 3.225 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000270951223 1434790564 /nfs/dbraw/zinc/79/05/64/1434790564.db2.gz XMNKKPTZJASPHZ-WOJBJXKFSA-N 1 0 386.540 3.225 20 30 GGEDRO N#Cc1cc2c(nc1NCc1ccc(C[NH+]3CCC(O)CC3)cc1)CCCC2 ZINC000270955986 1434790865 /nfs/dbraw/zinc/79/08/65/1434790865.db2.gz NBKFGHGLRIHOPB-UHFFFAOYSA-N 1 0 376.504 3.401 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000271040194 1434797877 /nfs/dbraw/zinc/79/78/77/1434797877.db2.gz RIRJDEZUIREWOI-NRFANRHFSA-N 1 0 381.907 3.480 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000271040196 1434797906 /nfs/dbraw/zinc/79/79/06/1434797906.db2.gz RIRJDEZUIREWOI-OAQYLSRUSA-N 1 0 381.907 3.480 20 30 GGEDRO COc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1OC ZINC000271176376 1434806380 /nfs/dbraw/zinc/80/63/80/1434806380.db2.gz NPRCUHKTWGMXRY-UHFFFAOYSA-N 1 0 379.460 3.426 20 30 GGEDRO CC(C)[NH+](CCNC(=O)C1CCN(c2snc(Cl)c2C#N)CC1)C(C)C ZINC000271288924 1434813457 /nfs/dbraw/zinc/81/34/57/1434813457.db2.gz HVTFAOZGMHMLSP-UHFFFAOYSA-N 1 0 397.976 3.120 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCc3cnccn3)sc2C1 ZINC000271354244 1434818600 /nfs/dbraw/zinc/81/86/00/1434818600.db2.gz PATYNEXRLZUBTR-AWEZNQCLSA-N 1 0 383.521 3.038 20 30 GGEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c(OC)c1 ZINC000271435829 1434824544 /nfs/dbraw/zinc/82/45/44/1434824544.db2.gz FMTMXPMTEHGFKN-HNNXBMFYSA-N 1 0 383.448 3.113 20 30 GGEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000271446982 1434825366 /nfs/dbraw/zinc/82/53/66/1434825366.db2.gz RRXBGNUONHNZMC-QGZVFWFLSA-N 1 0 390.487 3.012 20 30 GGEDRO COc1cc([C@@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)ccc1SC(F)F ZINC000271452279 1434825868 /nfs/dbraw/zinc/82/58/68/1434825868.db2.gz IKDAVCUYRDTGHN-RRGFCBMYSA-N 1 0 397.447 3.187 20 30 GGEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000271457858 1434826443 /nfs/dbraw/zinc/82/64/43/1434826443.db2.gz HABPLSOUVBGWFK-XMSQKQJNSA-N 1 0 398.528 3.123 20 30 GGEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000271644255 1434841234 /nfs/dbraw/zinc/84/12/34/1434841234.db2.gz HVZINQCIMGHHAN-INIZCTEOSA-N 1 0 379.460 3.029 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000271642143 1434841400 /nfs/dbraw/zinc/84/14/00/1434841400.db2.gz CPXSVPSBQYWYTA-MSOLQXFVSA-N 1 0 380.492 3.319 20 30 GGEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271644257 1434841526 /nfs/dbraw/zinc/84/15/26/1434841526.db2.gz HVZINQCIMGHHAN-MRXNPFEDSA-N 1 0 379.460 3.029 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000271653620 1434842048 /nfs/dbraw/zinc/84/20/48/1434842048.db2.gz JPJDYIDHINJZCX-OXJNMPFZSA-N 1 0 391.471 3.344 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000271653630 1434842066 /nfs/dbraw/zinc/84/20/66/1434842066.db2.gz JPJDYIDHINJZCX-UZLBHIALSA-N 1 0 391.471 3.344 20 30 GGEDRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271652244 1434842153 /nfs/dbraw/zinc/84/21/53/1434842153.db2.gz JHMFUKZQAOZFAU-MRXNPFEDSA-N 1 0 381.476 3.275 20 30 GGEDRO C#CC[C@@H]([NH2+]CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000271653865 1434842162 /nfs/dbraw/zinc/84/21/62/1434842162.db2.gz BTYSBHPDPNDIPK-JOCHJYFZSA-N 1 0 395.547 3.028 20 30 GGEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)COc1ccc(C#N)cc1 ZINC000271683686 1434843977 /nfs/dbraw/zinc/84/39/77/1434843977.db2.gz QTCNZZWOCSBMRI-UHFFFAOYSA-N 1 0 378.476 3.097 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000271693308 1434844622 /nfs/dbraw/zinc/84/46/22/1434844622.db2.gz RWHDTEGMYUOOEN-MRXNPFEDSA-N 1 0 376.460 3.364 20 30 GGEDRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000271707459 1434845333 /nfs/dbraw/zinc/84/53/33/1434845333.db2.gz VEGYBUCLCKVCDO-HOTGVXAUSA-N 1 0 381.476 3.494 20 30 GGEDRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000271707455 1434845411 /nfs/dbraw/zinc/84/54/11/1434845411.db2.gz VEGYBUCLCKVCDO-CVEARBPZSA-N 1 0 381.476 3.494 20 30 GGEDRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000271707470 1434845466 /nfs/dbraw/zinc/84/54/66/1434845466.db2.gz VEGYBUCLCKVCDO-JKSUJKDBSA-N 1 0 381.476 3.494 20 30 GGEDRO C#CC[C@@H]([NH2+]CC(=O)NCc1cccc(COCCOCC)c1)c1ccccc1 ZINC000271710381 1434845592 /nfs/dbraw/zinc/84/55/92/1434845592.db2.gz OHAMPSQQIOQBDJ-HSZRJFAPSA-N 1 0 394.515 3.210 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000271803134 1434851782 /nfs/dbraw/zinc/85/17/82/1434851782.db2.gz SHIWICLVEYRFMU-QGZVFWFLSA-N 1 0 396.491 3.082 20 30 GGEDRO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000271815710 1434852398 /nfs/dbraw/zinc/85/23/98/1434852398.db2.gz RLAGHNIUKPRKJA-OAHLLOKOSA-N 1 0 379.460 3.032 20 30 GGEDRO N#Cc1cccc(C2(NC(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC000271819748 1434852594 /nfs/dbraw/zinc/85/25/94/1434852594.db2.gz QEOWMXROIFAXCR-UHFFFAOYSA-N 1 0 375.476 3.158 20 30 GGEDRO CN(C)C(=O)c1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000271831517 1434853450 /nfs/dbraw/zinc/85/34/50/1434853450.db2.gz DXMCWRXEVPMSGN-UHFFFAOYSA-N 1 0 376.504 3.014 20 30 GGEDRO C[C@@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000271834890 1434853641 /nfs/dbraw/zinc/85/36/41/1434853641.db2.gz FSTFANUUFVWYBV-UTKZUKDTSA-N 1 0 393.487 3.083 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000271837899 1434853946 /nfs/dbraw/zinc/85/39/46/1434853946.db2.gz GFLCAPBSRWUXCT-DRWCTHJISA-N 1 0 385.414 3.490 20 30 GGEDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc(OC)c1OC ZINC000271844722 1434854328 /nfs/dbraw/zinc/85/43/28/1434854328.db2.gz YZZSGCVJLKAUBW-AWEZNQCLSA-N 1 0 383.448 3.263 20 30 GGEDRO CCOc1ccc([C@H](C)NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1OC ZINC000271859573 1434855435 /nfs/dbraw/zinc/85/54/35/1434855435.db2.gz ZAZHYTGRILGVMO-INIZCTEOSA-N 1 0 393.487 3.422 20 30 GGEDRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1OC ZINC000271859574 1434855462 /nfs/dbraw/zinc/85/54/62/1434855462.db2.gz ZAZHYTGRILGVMO-MRXNPFEDSA-N 1 0 393.487 3.422 20 30 GGEDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000271871414 1434856126 /nfs/dbraw/zinc/85/61/26/1434856126.db2.gz MRWXVAZXDBECNE-SFHVURJKSA-N 1 0 392.503 3.108 20 30 GGEDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271874221 1434856340 /nfs/dbraw/zinc/85/63/40/1434856340.db2.gz NPWRCMDYXHOPQH-BTYIYWSLSA-N 1 0 376.460 3.078 20 30 GGEDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271874224 1434856422 /nfs/dbraw/zinc/85/64/22/1434856422.db2.gz NPWRCMDYXHOPQH-VFNWGFHPSA-N 1 0 376.460 3.078 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271909442 1434858530 /nfs/dbraw/zinc/85/85/30/1434858530.db2.gz AFQGXIARPRGXCH-KBPBESRZSA-N 1 0 375.469 3.359 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917374 1434859164 /nfs/dbraw/zinc/85/91/64/1434859164.db2.gz ZGQWVRSROSMQKB-ZEYPLWLESA-N 1 0 379.504 3.123 20 30 GGEDRO C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271945655 1434861116 /nfs/dbraw/zinc/86/11/16/1434861116.db2.gz QASZHAZNICHEDP-INIZCTEOSA-N 1 0 380.467 3.451 20 30 GGEDRO C#CCCN1CC[NH+](C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032247 1434867535 /nfs/dbraw/zinc/86/75/35/1434867535.db2.gz PHGUVPREFNHVLV-RPBOFIJWSA-N 1 0 392.543 3.103 20 30 GGEDRO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1CCC#N ZINC000272081299 1434870770 /nfs/dbraw/zinc/87/07/70/1434870770.db2.gz LQSJZONZMDNQII-APWZRJJASA-N 1 0 380.496 3.137 20 30 GGEDRO Cn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000272100128 1434872021 /nfs/dbraw/zinc/87/20/21/1434872021.db2.gz GLICYMSHPMQZIF-SFHVURJKSA-N 1 0 378.451 3.039 20 30 GGEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272107680 1434872568 /nfs/dbraw/zinc/87/25/68/1434872568.db2.gz PVPMVZVMAVGBJA-UHFFFAOYSA-N 1 0 382.512 3.481 20 30 GGEDRO C[C@H](NC(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272204611 1434877852 /nfs/dbraw/zinc/87/78/52/1434877852.db2.gz DKGJSAJSWBVVSJ-RXVVDRJESA-N 1 0 377.488 3.158 20 30 GGEDRO COc1cccc(N2CC[C@H]([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)c1 ZINC000272206621 1434878083 /nfs/dbraw/zinc/87/80/83/1434878083.db2.gz ZGNWQQNBSVKQBQ-FQEVSTJZSA-N 1 0 387.487 3.336 20 30 GGEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@H]2C1 ZINC000272273441 1434883178 /nfs/dbraw/zinc/88/31/78/1434883178.db2.gz CREMEFRKTKFXON-AEFFLSMTSA-N 1 0 381.505 3.163 20 30 GGEDRO Cn1cc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272294593 1434884967 /nfs/dbraw/zinc/88/49/67/1434884967.db2.gz OOPBDMMSCIZCSK-UHFFFAOYSA-N 1 0 385.471 3.222 20 30 GGEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000272367434 1434890836 /nfs/dbraw/zinc/89/08/36/1434890836.db2.gz GJHYZAHSISLOJD-LJQANCHMSA-N 1 0 376.504 3.373 20 30 GGEDRO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272394871 1434893614 /nfs/dbraw/zinc/89/36/14/1434893614.db2.gz AGGGCNSZHWAHRZ-IBGZPJMESA-N 1 0 398.507 3.043 20 30 GGEDRO Cc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272451181 1434897271 /nfs/dbraw/zinc/89/72/71/1434897271.db2.gz PQFZBSQGKPNJIQ-IEBWSBKVSA-N 1 0 380.496 3.137 20 30 GGEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000272489325 1434899936 /nfs/dbraw/zinc/89/99/36/1434899936.db2.gz MYERYLLTXXHGLU-DOTOQJQBSA-N 1 0 386.496 3.122 20 30 GGEDRO CC(=O)N1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CCCCC2 ZINC000272492560 1434900157 /nfs/dbraw/zinc/90/01/57/1434900157.db2.gz URRJNCZKGLZMRP-UHFFFAOYSA-N 1 0 391.519 3.326 20 30 GGEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272496616 1434900649 /nfs/dbraw/zinc/90/06/49/1434900649.db2.gz DAFCKOWILKMLPF-UWJYYQICSA-N 1 0 390.487 3.369 20 30 GGEDRO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c(C)n2n1 ZINC000272574408 1434909380 /nfs/dbraw/zinc/90/93/80/1434909380.db2.gz POMCIGGKMHRPIQ-MGPUTAFESA-N 1 0 388.475 3.064 20 30 GGEDRO C=CCN(CCc1ccco1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000272579140 1434910080 /nfs/dbraw/zinc/91/00/80/1434910080.db2.gz MDMGTXNMWJIXSP-UHFFFAOYSA-N 1 0 397.519 3.177 20 30 GGEDRO COCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000272601804 1434913358 /nfs/dbraw/zinc/91/33/58/1434913358.db2.gz XVBFQKOMPPQRSZ-HXUWFJFHSA-N 1 0 398.507 3.311 20 30 GGEDRO CC1(C#N)CCN(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000272652182 1434919855 /nfs/dbraw/zinc/91/98/55/1434919855.db2.gz ZOJMKCCYVVEKGC-LJQANCHMSA-N 1 0 388.943 3.219 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000272674850 1434921547 /nfs/dbraw/zinc/92/15/47/1434921547.db2.gz LUTMCTLPJZNWLR-INIZCTEOSA-N 1 0 378.476 3.198 20 30 GGEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272716247 1434925640 /nfs/dbraw/zinc/92/56/40/1434925640.db2.gz DAZAWHJTIRDQQA-QVKFZJNVSA-N 1 0 376.460 3.363 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000272781442 1434930834 /nfs/dbraw/zinc/93/08/34/1434930834.db2.gz ALFPISJJLJNEAV-UHFFFAOYSA-N 1 0 391.537 3.004 20 30 GGEDRO C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1=CC[N@H+](C)CC1 ZINC000272904751 1434940038 /nfs/dbraw/zinc/94/00/38/1434940038.db2.gz CSOJFRPVMTWZAW-CQSZACIVSA-N 1 0 381.505 3.377 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000273024144 1434951624 /nfs/dbraw/zinc/95/16/24/1434951624.db2.gz UFQJXZSSBNFCJC-KRWDZBQOSA-N 1 0 382.508 3.273 20 30 GGEDRO CC(C)[C@H]1C[C@@H](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273039991 1434953833 /nfs/dbraw/zinc/95/38/33/1434953833.db2.gz ZIUUJJRTJXTKCF-FCHUYYIVSA-N 1 0 383.536 3.434 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H](C)c2nccs2)c(OC)c1 ZINC000273097825 1434960597 /nfs/dbraw/zinc/96/05/97/1434960597.db2.gz VAABYDMRWGQXPW-NVXWUHKLSA-N 1 0 376.522 3.355 20 30 GGEDRO CC(=O)c1ccc(C#N)c(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000273169071 1434968534 /nfs/dbraw/zinc/96/85/34/1434968534.db2.gz DNJXBPDFQXKQJV-NRFANRHFSA-N 1 0 390.487 3.070 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000273181182 1434969813 /nfs/dbraw/zinc/96/98/13/1434969813.db2.gz NONORUBCJGIDPP-QGZVFWFLSA-N 1 0 388.493 3.069 20 30 GGEDRO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273392085 1434985683 /nfs/dbraw/zinc/98/56/83/1434985683.db2.gz FJMYIFGICYZQOK-LEWJYISDSA-N 1 0 381.451 3.166 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273429887 1434988191 /nfs/dbraw/zinc/98/81/91/1434988191.db2.gz UIYJSGJKVBOODZ-WOJBJXKFSA-N 1 0 375.488 3.386 20 30 GGEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000273508095 1434993349 /nfs/dbraw/zinc/99/33/49/1434993349.db2.gz KVBQRERMPUJPCI-DZIBYMRMSA-N 1 0 399.539 3.015 20 30 GGEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[C@@]12CCCO2 ZINC000273602055 1434999321 /nfs/dbraw/zinc/99/93/21/1434999321.db2.gz MARMXJRCYHSVKN-SJBKTWHCSA-N 1 0 380.492 3.280 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273621697 1435000245 /nfs/dbraw/zinc/00/02/45/1435000245.db2.gz REVUFASAFFWUHU-VQTJNVASSA-N 1 0 375.488 3.338 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273621698 1435000362 /nfs/dbraw/zinc/00/03/62/1435000362.db2.gz REVUFASAFFWUHU-WOJBJXKFSA-N 1 0 375.488 3.338 20 30 GGEDRO COc1cc(-c2noc(-c3ccc(CC#N)cc3)n2)ccc1OCC[NH+](C)C ZINC000273845274 1435020821 /nfs/dbraw/zinc/02/08/21/1435020821.db2.gz ZRAYNLLSFFRVNS-UHFFFAOYSA-N 1 0 378.432 3.419 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000273854009 1435021862 /nfs/dbraw/zinc/02/18/62/1435021862.db2.gz GJGDTWXDEXDSQN-CQSZACIVSA-N 1 0 379.420 3.084 20 30 GGEDRO Cc1ncc(CO)c(/C=N/C[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1O ZINC000274344203 1435063626 /nfs/dbraw/zinc/06/36/26/1435063626.db2.gz BWAIFMDHAICGJG-OYCFWJGQSA-N 1 0 381.398 3.329 20 30 GGEDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000274810790 1435094639 /nfs/dbraw/zinc/09/46/39/1435094639.db2.gz XSYONTOJBXPCGP-ZDUSSCGKSA-N 1 0 391.443 3.227 20 30 GGEDRO COc1ccc([C@@H](NC(=O)N(CCC#N)CCC[NH+](C)C)C(F)(F)F)cc1 ZINC000274944766 1435105062 /nfs/dbraw/zinc/10/50/62/1435105062.db2.gz REKGFYPNKGZVLD-MRXNPFEDSA-N 1 0 386.418 3.176 20 30 GGEDRO C=C(C)[C@@H](NC(=O)NCC1(O)CC[NH+](C(C)C)CC1)c1ccc(F)c(F)c1 ZINC000275132203 1435118401 /nfs/dbraw/zinc/11/84/01/1435118401.db2.gz OQMMHNWXIAADSN-GOSISDBHSA-N 1 0 381.467 3.117 20 30 GGEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1O ZINC000275396196 1435136436 /nfs/dbraw/zinc/13/64/36/1435136436.db2.gz DGBXKSOLCHNYRH-KRWDZBQOSA-N 1 0 375.538 3.310 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275493044 1435143173 /nfs/dbraw/zinc/14/31/73/1435143173.db2.gz RMCMJFRMJRQWRZ-UHFFFAOYSA-N 1 0 392.503 3.040 20 30 GGEDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000275583309 1435150506 /nfs/dbraw/zinc/15/05/06/1435150506.db2.gz DTIXKDMIIOHBDZ-UHFFFAOYSA-N 1 0 391.519 3.012 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000275641489 1435155412 /nfs/dbraw/zinc/15/54/12/1435155412.db2.gz AOFXNGFJEPFTKG-UHFFFAOYSA-N 1 0 390.487 3.472 20 30 GGEDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000275683219 1435159312 /nfs/dbraw/zinc/15/93/12/1435159312.db2.gz WLSQAGLOBZZRGC-PXNSSMCTSA-N 1 0 384.480 3.214 20 30 GGEDRO N#Cc1cccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000275686377 1435159487 /nfs/dbraw/zinc/15/94/87/1435159487.db2.gz IFXYYYKICSQRAB-UHFFFAOYSA-N 1 0 376.460 3.164 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1F ZINC000275758960 1435166455 /nfs/dbraw/zinc/16/64/55/1435166455.db2.gz UIUQXJQGAPOZBO-UHFFFAOYSA-N 1 0 394.450 3.303 20 30 GGEDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1(C)C ZINC000275792194 1435169973 /nfs/dbraw/zinc/16/99/73/1435169973.db2.gz JCSSXQPQBXZQTN-TZIWHRDSSA-N 1 0 376.497 3.033 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1 ZINC000275895588 1435178014 /nfs/dbraw/zinc/17/80/14/1435178014.db2.gz QBQFTNODVSCPIK-UHFFFAOYSA-N 1 0 397.475 3.077 20 30 GGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275991097 1435184373 /nfs/dbraw/zinc/18/43/73/1435184373.db2.gz GFEMQYHCDPPXHM-PXNSSMCTSA-N 1 0 379.508 3.054 20 30 GGEDRO C=CCc1cc(C[NH2+]CCc2nc(C(=O)OCC)cs2)cc(OC)c1O ZINC000276067654 1435189031 /nfs/dbraw/zinc/18/90/31/1435189031.db2.gz CTDDTQDLMSWECU-UHFFFAOYSA-N 1 0 376.478 3.095 20 30 GGEDRO C=CCOc1ccc(C[NH2+]CCc2nc(C(=O)OCC)cs2)cc1OC ZINC000276081659 1435189898 /nfs/dbraw/zinc/18/98/98/1435189898.db2.gz GMQSTTISSQGXRC-UHFFFAOYSA-N 1 0 376.478 3.226 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCOCC(F)(F)C(F)F)CC2)c1 ZINC000276143677 1435193718 /nfs/dbraw/zinc/19/37/18/1435193718.db2.gz BCGMDGGAZWRJOB-UHFFFAOYSA-N 1 0 387.377 3.126 20 30 GGEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000276211568 1435197903 /nfs/dbraw/zinc/19/79/03/1435197903.db2.gz HGYVMTDQKKMGDC-INIZCTEOSA-N 1 0 390.553 3.067 20 30 GGEDRO C[NH+](C)CCc1ccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC000276307486 1435203862 /nfs/dbraw/zinc/20/38/62/1435203862.db2.gz WQNBLZYUVQGNBU-UHFFFAOYSA-N 1 0 392.503 3.088 20 30 GGEDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)c1ccncc1 ZINC000276476685 1435213408 /nfs/dbraw/zinc/21/34/08/1435213408.db2.gz NNNVFFYGXIRBNE-JOCHJYFZSA-N 1 0 397.475 3.341 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277125872 1435265537 /nfs/dbraw/zinc/26/55/37/1435265537.db2.gz NXLGVBZLUJTUBV-HXUWFJFHSA-N 1 0 384.524 3.449 20 30 GGEDRO CN(Cc1ccc(C#N)cc1)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000277286354 1435289559 /nfs/dbraw/zinc/28/95/59/1435289559.db2.gz COYIZZIBGTTYKM-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO N#CCOc1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000277418277 1435303215 /nfs/dbraw/zinc/30/32/15/1435303215.db2.gz GYUQQYZNRVOAON-NRFANRHFSA-N 1 0 394.475 3.002 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCOCC(F)(F)C(F)F)c(-c2ccccc2)n1 ZINC000277418549 1435303256 /nfs/dbraw/zinc/30/32/56/1435303256.db2.gz AIAHEHCRBWEOIY-UHFFFAOYSA-N 1 0 384.377 3.470 20 30 GGEDRO Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000277915511 1435342006 /nfs/dbraw/zinc/34/20/06/1435342006.db2.gz BGIQXWIYSABARQ-UHFFFAOYSA-N 1 0 390.438 3.065 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949206 1435344927 /nfs/dbraw/zinc/34/49/27/1435344927.db2.gz ZVVXMZVECRQQFD-MLGOLLRUSA-N 1 0 389.805 3.175 20 30 GGEDRO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000277995610 1435348641 /nfs/dbraw/zinc/34/86/41/1435348641.db2.gz NTLDGFSNGKQCCR-BLLLJJGKSA-N 1 0 397.401 3.306 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CO)(Cc3ccccc3)CC2)CC1 ZINC000278046599 1435353648 /nfs/dbraw/zinc/35/36/48/1435353648.db2.gz CQEBCJVECSBSQV-UHFFFAOYSA-N 1 0 385.552 3.054 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000278363483 1435383984 /nfs/dbraw/zinc/38/39/84/1435383984.db2.gz FNUATMBGAFUNPK-UHFFFAOYSA-N 1 0 391.515 3.399 20 30 GGEDRO CNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000278362083 1435384083 /nfs/dbraw/zinc/38/40/83/1435384083.db2.gz XDHRLGXYUAOARN-UHFFFAOYSA-O 1 0 385.509 3.216 20 30 GGEDRO C[C@](C#N)(NC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1)C1CC1 ZINC000278384600 1435386007 /nfs/dbraw/zinc/38/60/07/1435386007.db2.gz UPXPDVIERPULDB-GOSISDBHSA-N 1 0 395.425 3.109 20 30 GGEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccccc1 ZINC000278390635 1435386667 /nfs/dbraw/zinc/38/66/67/1435386667.db2.gz ZWXVXHMCOFIRGW-UHFFFAOYSA-O 1 0 385.509 3.478 20 30 GGEDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000278401743 1435387809 /nfs/dbraw/zinc/38/78/09/1435387809.db2.gz WQBSZJBMRXPMPX-KNQAVFIVSA-N 1 0 380.488 3.071 20 30 GGEDRO CN(CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C(=O)OC(C)(C)C ZINC000278542484 1435398590 /nfs/dbraw/zinc/39/85/90/1435398590.db2.gz AEUSJQNCTGSEHO-UHFFFAOYSA-N 1 0 398.511 3.205 20 30 GGEDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(C)o1 ZINC000278579938 1435402251 /nfs/dbraw/zinc/40/22/51/1435402251.db2.gz FQRATVLVMIPBDS-OAQYLSRUSA-N 1 0 379.464 3.066 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(-c2ccncc2)n1 ZINC000278637517 1435408510 /nfs/dbraw/zinc/40/85/10/1435408510.db2.gz LEDKYQXNQWPJAI-AZUAARDMSA-N 1 0 383.521 3.003 20 30 GGEDRO CCOC(=O)N[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC(C)C ZINC000278650695 1435410134 /nfs/dbraw/zinc/41/01/34/1435410134.db2.gz MJPRPVBVBWIOCQ-LJQANCHMSA-N 1 0 398.511 3.109 20 30 GGEDRO N#CCCn1cc(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000278653969 1435410862 /nfs/dbraw/zinc/41/08/62/1435410862.db2.gz MRMNWDVSOAFMTC-JOCHJYFZSA-N 1 0 387.487 3.462 20 30 GGEDRO C[C@@](O)(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000278673419 1435412724 /nfs/dbraw/zinc/41/27/24/1435412724.db2.gz OKVRZKCVQGLGEP-JOCHJYFZSA-N 1 0 375.476 3.246 20 30 GGEDRO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1OCCCC#N ZINC000278683791 1435413791 /nfs/dbraw/zinc/41/37/91/1435413791.db2.gz OAGMVQWCHBNREJ-SFHVURJKSA-N 1 0 387.524 3.063 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCN2CCc3sccc3C2)c(-c2ccncc2)n1 ZINC000278703790 1435415553 /nfs/dbraw/zinc/41/55/53/1435415553.db2.gz QZROYDRVVBDQLN-UHFFFAOYSA-N 1 0 392.532 3.068 20 30 GGEDRO Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000278791892 1435424038 /nfs/dbraw/zinc/42/40/38/1435424038.db2.gz QNKIYTRNOIPRKL-UHFFFAOYSA-N 1 0 390.438 3.065 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000278796088 1435424471 /nfs/dbraw/zinc/42/44/71/1435424471.db2.gz YQZZZVMBOWMKKB-MRXNPFEDSA-N 1 0 382.426 3.122 20 30 GGEDRO N#Cc1ccccc1OCc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)o1 ZINC000279057729 1435456418 /nfs/dbraw/zinc/45/64/18/1435456418.db2.gz MWJXLCCYVZZWLB-UHFFFAOYSA-N 1 0 379.460 3.334 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000279117303 1435461962 /nfs/dbraw/zinc/46/19/62/1435461962.db2.gz WOPOFGZYDFYIDV-QRWLVFNGSA-N 1 0 393.478 3.477 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000279117302 1435462001 /nfs/dbraw/zinc/46/20/01/1435462001.db2.gz WOPOFGZYDFYIDV-MGPUTAFESA-N 1 0 393.478 3.477 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)c1C#N ZINC000279233798 1435474899 /nfs/dbraw/zinc/47/48/99/1435474899.db2.gz JJFSLCFGBHPTRX-PZJWPPBQSA-N 1 0 394.519 3.104 20 30 GGEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000279237737 1435475490 /nfs/dbraw/zinc/47/54/90/1435475490.db2.gz FNXASVQIXCVTLJ-FQEVSTJZSA-N 1 0 387.487 3.021 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCO)c1C#N ZINC000279287505 1435482047 /nfs/dbraw/zinc/48/20/47/1435482047.db2.gz PCANTRRFUNMMBH-JXFKEZNVSA-N 1 0 398.482 3.184 20 30 GGEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2CCO)sc2c1CCCCC2 ZINC000279343359 1435488917 /nfs/dbraw/zinc/48/89/17/1435488917.db2.gz UXBPASORRUTUHU-WMLDXEAASA-N 1 0 375.538 3.358 20 30 GGEDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279370724 1435491971 /nfs/dbraw/zinc/49/19/71/1435491971.db2.gz IXFGGOYMGFAXGZ-MRXNPFEDSA-N 1 0 398.511 3.204 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)c1C#N ZINC000279389166 1435493907 /nfs/dbraw/zinc/49/39/07/1435493907.db2.gz YPKZENFMFNMKRM-FXAWDEMLSA-N 1 0 380.492 3.045 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCO)c1C#N ZINC000279389170 1435494058 /nfs/dbraw/zinc/49/40/58/1435494058.db2.gz YPKZENFMFNMKRM-PXNSSMCTSA-N 1 0 380.492 3.045 20 30 GGEDRO N#CCCn1cc(CN2CC[NH+](C3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000279400252 1435495370 /nfs/dbraw/zinc/49/53/70/1435495370.db2.gz MMAUSJARMPRXRA-UHFFFAOYSA-N 1 0 378.524 3.309 20 30 GGEDRO Cc1cccc(N2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000279420505 1435497354 /nfs/dbraw/zinc/49/73/54/1435497354.db2.gz OVRRYUQPCHRORP-UHFFFAOYSA-N 1 0 386.503 3.489 20 30 GGEDRO N#CCCn1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccncc2)n1 ZINC000279454643 1435501099 /nfs/dbraw/zinc/50/10/99/1435501099.db2.gz SWQQMRAZODVOTI-IBGZPJMESA-N 1 0 378.524 3.167 20 30 GGEDRO N#CCCn1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccncc2)n1 ZINC000279454650 1435501114 /nfs/dbraw/zinc/50/11/14/1435501114.db2.gz SWQQMRAZODVOTI-LJQANCHMSA-N 1 0 378.524 3.167 20 30 GGEDRO CCn1nccc1C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279474114 1435503068 /nfs/dbraw/zinc/50/30/68/1435503068.db2.gz SMYCYDCBFQXWSG-UHFFFAOYSA-N 1 0 389.507 3.455 20 30 GGEDRO C[N@@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](c2ccccc2)C1 ZINC000279488780 1435504982 /nfs/dbraw/zinc/50/49/82/1435504982.db2.gz XSOWAFCIWIFVLQ-QFIPXVFZSA-N 1 0 386.503 3.347 20 30 GGEDRO C[N@@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H](c2ccccc2)C1 ZINC000279488775 1435505050 /nfs/dbraw/zinc/50/50/50/1435505050.db2.gz XSOWAFCIWIFVLQ-JOCHJYFZSA-N 1 0 386.503 3.347 20 30 GGEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000279565026 1435513631 /nfs/dbraw/zinc/51/36/31/1435513631.db2.gz PEIQBAZEOGCEPE-QHCPKHFHSA-N 1 0 398.510 3.290 20 30 GGEDRO N#Cc1cccc(-c2cc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)on2)c1 ZINC000279571221 1435514340 /nfs/dbraw/zinc/51/43/40/1435514340.db2.gz VXTMBXDFTXIRCS-XLIONFOSSA-N 1 0 376.460 3.302 20 30 GGEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000279599485 1435517629 /nfs/dbraw/zinc/51/76/29/1435517629.db2.gz RZGKPRIMQDWJOT-HXUWFJFHSA-N 1 0 392.528 3.330 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000279781271 1435542241 /nfs/dbraw/zinc/54/22/41/1435542241.db2.gz FOHHEUBZFLNSQL-RBBKRZOGSA-N 1 0 391.515 3.101 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000279783306 1435542452 /nfs/dbraw/zinc/54/24/52/1435542452.db2.gz LMXQKJZCESNVQD-RTBURBONSA-N 1 0 382.552 3.118 20 30 GGEDRO C#CCn1ccc(CN(CC)CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000279803999 1435545260 /nfs/dbraw/zinc/54/52/60/1435545260.db2.gz WZSZYFMXPUWHAP-UHFFFAOYSA-N 1 0 395.532 3.179 20 30 GGEDRO N#CCOc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000279912191 1435561781 /nfs/dbraw/zinc/56/17/81/1435561781.db2.gz FIDGTCPFCZNAQF-KDURUIRLSA-N 1 0 376.460 3.185 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000279980927 1435572053 /nfs/dbraw/zinc/57/20/53/1435572053.db2.gz JQABXLLZTIMVGY-DHIUTWEWSA-N 1 0 386.499 3.267 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000279980934 1435572058 /nfs/dbraw/zinc/57/20/58/1435572058.db2.gz JQABXLLZTIMVGY-PKTZIBPZSA-N 1 0 386.499 3.267 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000279980937 1435572152 /nfs/dbraw/zinc/57/21/52/1435572152.db2.gz JQABXLLZTIMVGY-XZOQPEGZSA-N 1 0 386.499 3.267 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@](C)(O)CC3)sc2C1 ZINC000280086661 1435589850 /nfs/dbraw/zinc/58/98/50/1435589850.db2.gz OFAIAVIBTXDTTN-XOBRGWDASA-N 1 0 375.538 3.310 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCC2CCN(c3ccccc3)CC2)cc1OC ZINC000280090165 1435590856 /nfs/dbraw/zinc/59/08/56/1435590856.db2.gz WMTZKUUWAYJWHD-UHFFFAOYSA-N 1 0 382.508 3.025 20 30 GGEDRO CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 ZINC000280170868 1435602984 /nfs/dbraw/zinc/60/29/84/1435602984.db2.gz XPCRCAPXSCREAQ-FQEVSTJZSA-N 1 0 387.487 3.021 20 30 GGEDRO Cc1oc(C#N)cc1C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000280494868 1435669579 /nfs/dbraw/zinc/66/95/79/1435669579.db2.gz CAMFBSFGAGTFHX-UHFFFAOYSA-N 1 0 380.492 3.100 20 30 GGEDRO Cc1oc(C#N)cc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000280621911 1435691332 /nfs/dbraw/zinc/69/13/32/1435691332.db2.gz LDSXXGBTWKPOAR-UHFFFAOYSA-N 1 0 387.867 3.386 20 30 GGEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000280636491 1435694815 /nfs/dbraw/zinc/69/48/15/1435694815.db2.gz XUTQMXYFEJSPMR-QFIPXVFZSA-N 1 0 398.507 3.447 20 30 GGEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000280671026 1435700874 /nfs/dbraw/zinc/70/08/74/1435700874.db2.gz PWSRPILODNRACT-WIYYLYMNSA-N 1 0 386.540 3.240 20 30 GGEDRO N#Cc1c(C#N)c2c(nc1NC1CC[NH+](C[C@H]3CCOC3)CC1)CCCCCC2 ZINC000280800335 1435722815 /nfs/dbraw/zinc/72/28/15/1435722815.db2.gz VRPPJZZNEDJAES-QGZVFWFLSA-N 1 0 393.535 3.397 20 30 GGEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000280806076 1435723883 /nfs/dbraw/zinc/72/38/83/1435723883.db2.gz SXRVJFQNYSRNNH-KZULUSFZSA-N 1 0 386.395 3.318 20 30 GGEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000280861245 1435732454 /nfs/dbraw/zinc/73/24/54/1435732454.db2.gz QMYOKFGODHTKTJ-OALUTQOASA-N 1 0 378.501 3.255 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280976324 1435750099 /nfs/dbraw/zinc/75/00/99/1435750099.db2.gz RXWXTOJDVMMPIS-COPCDDAFSA-N 1 0 378.520 3.354 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280976346 1435750252 /nfs/dbraw/zinc/75/02/52/1435750252.db2.gz RXWXTOJDVMMPIS-STZQEDGTSA-N 1 0 378.520 3.354 20 30 GGEDRO N#Cc1cccc(-n2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000281057314 1435764725 /nfs/dbraw/zinc/76/47/25/1435764725.db2.gz TVKFIXFAHHVGAM-UHFFFAOYSA-N 1 0 385.471 3.138 20 30 GGEDRO N#Cc1cccc(-n2ccc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)n2)c1 ZINC000281120223 1435778682 /nfs/dbraw/zinc/77/86/82/1435778682.db2.gz AMDOYGLTEFWPKJ-UHFFFAOYSA-N 1 0 377.492 3.128 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281131791 1435781264 /nfs/dbraw/zinc/78/12/64/1435781264.db2.gz XTFJORZUTKJECX-SFHVURJKSA-N 1 0 384.524 3.122 20 30 GGEDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1)c1ccccc1 ZINC000281150967 1435785144 /nfs/dbraw/zinc/78/51/44/1435785144.db2.gz PIBJFHQUDVUSML-HXUWFJFHSA-N 1 0 399.498 3.444 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000281226895 1435799341 /nfs/dbraw/zinc/79/93/41/1435799341.db2.gz OQEFUIWISXVBJZ-QFIPXVFZSA-N 1 0 391.515 3.374 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000281352865 1435805118 /nfs/dbraw/zinc/80/51/18/1435805118.db2.gz DQDIUNJSHRIPJA-FVJLSDCUSA-N 1 0 399.535 3.083 20 30 GGEDRO C=CCC[C@@H]([NH2+]Cc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccccc1 ZINC000281360485 1435805576 /nfs/dbraw/zinc/80/55/76/1435805576.db2.gz SGKVWSXIWDAMET-HXUWFJFHSA-N 1 0 375.538 3.342 20 30 GGEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000281393911 1435806973 /nfs/dbraw/zinc/80/69/73/1435806973.db2.gz NBFGMYOPDLPKFV-JXIYXGQPSA-N 1 0 375.900 3.412 20 30 GGEDRO Cc1ccc([C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000281410017 1435807737 /nfs/dbraw/zinc/80/77/37/1435807737.db2.gz RCAGFRNWRZYELS-MJGOQNOKSA-N 1 0 378.538 3.159 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000281473286 1435810343 /nfs/dbraw/zinc/81/03/43/1435810343.db2.gz HLIDPSDPKWGAMW-TYPHKJRUSA-N 1 0 386.540 3.059 20 30 GGEDRO COc1cc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)ccc1C#N ZINC000281638502 1435816679 /nfs/dbraw/zinc/81/66/79/1435816679.db2.gz AHHJEACEKPRMAX-CXUHLZMHSA-N 1 0 389.546 3.356 20 30 GGEDRO COCCn1cc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cn1 ZINC000281947571 1435828030 /nfs/dbraw/zinc/82/80/30/1435828030.db2.gz IKWLUMZYLGGMEI-UHFFFAOYSA-N 1 0 376.460 3.270 20 30 GGEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000282143826 1435836326 /nfs/dbraw/zinc/83/63/26/1435836326.db2.gz BQGBMPKBYQFJAF-SFHVURJKSA-N 1 0 383.540 3.232 20 30 GGEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC000282155455 1435836624 /nfs/dbraw/zinc/83/66/24/1435836624.db2.gz CKUODBXNSXXYLY-UHFFFAOYSA-N 1 0 387.553 3.295 20 30 GGEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000282157569 1435836786 /nfs/dbraw/zinc/83/67/86/1435836786.db2.gz CQCKWUDEWHBCTM-SFHVURJKSA-N 1 0 399.539 3.220 20 30 GGEDRO C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000282245538 1435839947 /nfs/dbraw/zinc/83/99/47/1435839947.db2.gz KJDPEEUAFLHEBS-XLIONFOSSA-N 1 0 397.523 3.145 20 30 GGEDRO C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000282245541 1435839976 /nfs/dbraw/zinc/83/99/76/1435839976.db2.gz KJDPEEUAFLHEBS-YLJYHZDGSA-N 1 0 397.523 3.145 20 30 GGEDRO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000282254373 1435840239 /nfs/dbraw/zinc/84/02/39/1435840239.db2.gz LDZJZRHVEOCYAK-UHFFFAOYSA-N 1 0 399.587 3.274 20 30 GGEDRO C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000282263613 1435840711 /nfs/dbraw/zinc/84/07/11/1435840711.db2.gz LSZJAKHAPILPTR-IBGZPJMESA-N 1 0 394.523 3.083 20 30 GGEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000282284331 1435841651 /nfs/dbraw/zinc/84/16/51/1435841651.db2.gz NFXLIGUTXWQMTQ-GOSISDBHSA-N 1 0 399.539 3.220 20 30 GGEDRO C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000282301092 1435842249 /nfs/dbraw/zinc/84/22/49/1435842249.db2.gz OSFHEOAHPHICFU-XLIONFOSSA-N 1 0 397.523 3.145 20 30 GGEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000282389339 1435845549 /nfs/dbraw/zinc/84/55/49/1435845549.db2.gz VTIVIHGOMXGUBS-HXUWFJFHSA-N 1 0 383.540 3.349 20 30 GGEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000282475262 1435848518 /nfs/dbraw/zinc/84/85/18/1435848518.db2.gz DVYXVCXMUOPVBX-OAQYLSRUSA-N 1 0 399.498 3.338 20 30 GGEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000282513980 1435849773 /nfs/dbraw/zinc/84/97/73/1435849773.db2.gz OVZYYQRGMXTSCK-JOCHJYFZSA-N 1 0 390.531 3.065 20 30 GGEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000282525149 1435850190 /nfs/dbraw/zinc/85/01/90/1435850190.db2.gz GTFVVAFBRCXAJO-QGZVFWFLSA-N 1 0 387.503 3.350 20 30 GGEDRO CCCC[N@H+](C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 ZINC000282602199 1435853331 /nfs/dbraw/zinc/85/33/31/1435853331.db2.gz YINMOAOIVGDMIB-UHFFFAOYSA-N 1 0 396.539 3.214 20 30 GGEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000282605185 1435853398 /nfs/dbraw/zinc/85/33/98/1435853398.db2.gz YMQYMGSWFDEJAF-SFHVURJKSA-N 1 0 382.533 3.449 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000282923814 1435866288 /nfs/dbraw/zinc/86/62/88/1435866288.db2.gz HNTYMOZXKBROKR-HXUWFJFHSA-N 1 0 377.492 3.432 20 30 GGEDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000282931933 1435866629 /nfs/dbraw/zinc/86/66/29/1435866629.db2.gz IARKDGRUEXSYIN-OAQYLSRUSA-N 1 0 375.476 3.299 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)ccc1OC ZINC000282948870 1435867186 /nfs/dbraw/zinc/86/71/86/1435867186.db2.gz XRLLLJLKNPSOGI-GHTZIAJQSA-N 1 0 375.509 3.307 20 30 GGEDRO CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282949776 1435867369 /nfs/dbraw/zinc/86/73/69/1435867369.db2.gz HCNLZNKAMVLFMP-UHFFFAOYSA-N 1 0 396.539 3.352 20 30 GGEDRO CC(C)c1noc(Cc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)n1 ZINC000283095213 1435874267 /nfs/dbraw/zinc/87/42/67/1435874267.db2.gz LRZAHTZAUBBNBQ-UHFFFAOYSA-N 1 0 398.511 3.483 20 30 GGEDRO N#Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC(F)(F)F ZINC000283098311 1435874386 /nfs/dbraw/zinc/87/43/86/1435874386.db2.gz WGMKJNCSCSLDFI-ZDUSSCGKSA-N 1 0 382.386 3.406 20 30 GGEDRO N#Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC(F)(F)F ZINC000283098309 1435874419 /nfs/dbraw/zinc/87/44/19/1435874419.db2.gz WGMKJNCSCSLDFI-CYBMUJFWSA-N 1 0 382.386 3.406 20 30 GGEDRO C#Cc1cc(F)c(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(F)c1 ZINC000283247492 1435881195 /nfs/dbraw/zinc/88/11/95/1435881195.db2.gz LDVXLPOGCXGZBV-UHFFFAOYSA-N 1 0 397.425 3.162 20 30 GGEDRO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000283272178 1435882283 /nfs/dbraw/zinc/88/22/83/1435882283.db2.gz MZEJPRGJBULWFT-UHFFFAOYSA-N 1 0 387.553 3.192 20 30 GGEDRO C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000283375323 1435886705 /nfs/dbraw/zinc/88/67/05/1435886705.db2.gz CSKSSBBVAXTPGG-XLIONFOSSA-N 1 0 395.507 3.041 20 30 GGEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000283396206 1435887874 /nfs/dbraw/zinc/88/78/74/1435887874.db2.gz WHQSPYSOHHAEQV-MOPGFXCFSA-N 1 0 397.571 3.346 20 30 GGEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000283398126 1435887967 /nfs/dbraw/zinc/88/79/67/1435887967.db2.gz WKZTUDBVYCWYAU-ICSRJNTNSA-N 1 0 378.524 3.369 20 30 GGEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283407320 1435888487 /nfs/dbraw/zinc/88/84/87/1435888487.db2.gz WWMXRQADGLOKFR-UHFFFAOYSA-N 1 0 394.523 3.272 20 30 GGEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000283631993 1435898650 /nfs/dbraw/zinc/89/86/50/1435898650.db2.gz OMWZSAKWOLBPOX-IBGZPJMESA-N 1 0 397.571 3.203 20 30 GGEDRO C=CCCN(C)C(=O)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000283670017 1435900818 /nfs/dbraw/zinc/90/08/18/1435900818.db2.gz WQVWGIHSRQWDJR-UHFFFAOYSA-N 1 0 379.504 3.066 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)NC2(C)CC2)cc1 ZINC000283759682 1435917730 /nfs/dbraw/zinc/91/77/30/1435917730.db2.gz AURLKWNIZTXUHJ-UHFFFAOYSA-O 1 0 383.493 3.135 20 30 GGEDRO COCC1(CNC(=[NH2+])Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000283808169 1435928153 /nfs/dbraw/zinc/92/81/53/1435928153.db2.gz BEXPZBWRQLYJPD-UHFFFAOYSA-N 1 0 376.501 3.077 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000283976438 1435966002 /nfs/dbraw/zinc/96/60/02/1435966002.db2.gz OTQVHEBQTFXMSJ-SFHVURJKSA-N 1 0 377.916 3.064 20 30 GGEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC2(C)CC2)cc1 ZINC000284051405 1435981510 /nfs/dbraw/zinc/98/15/10/1435981510.db2.gz JGWIRNCLOOYUFR-UHFFFAOYSA-O 1 0 390.479 3.399 20 30 GGEDRO CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000284111114 1435992063 /nfs/dbraw/zinc/99/20/63/1435992063.db2.gz GPQSBWSADAVFGW-SFTDATJTSA-N 1 0 386.515 3.107 20 30 GGEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000284151023 1435999535 /nfs/dbraw/zinc/99/95/35/1435999535.db2.gz WOHIWGYXTLJXFJ-AZUAARDMSA-N 1 0 376.508 3.290 20 30 GGEDRO O=C(NCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000284295253 1436010810 /nfs/dbraw/zinc/01/08/10/1436010810.db2.gz KMMYAGDALOXIGV-IEAPLQLESA-N 1 0 393.409 3.458 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000284319660 1436012975 /nfs/dbraw/zinc/01/29/75/1436012975.db2.gz JHLMSEZPBSUQTF-ZDUSSCGKSA-N 1 0 398.334 3.327 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000284385679 1436017738 /nfs/dbraw/zinc/01/77/38/1436017738.db2.gz IBVJIUXTPLEZMC-IBGZPJMESA-N 1 0 398.551 3.066 20 30 GGEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1ccccn1 ZINC000284401746 1436018935 /nfs/dbraw/zinc/01/89/35/1436018935.db2.gz ZRNKHLIYVJDISO-UHFFFAOYSA-N 1 0 386.569 3.034 20 30 GGEDRO CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000284445009 1436022279 /nfs/dbraw/zinc/02/22/79/1436022279.db2.gz QNIVACLWIAVJIV-IBGZPJMESA-N 1 0 394.523 3.061 20 30 GGEDRO CCCCOc1ccc(C(=O)C(C(=S)NC)[n+]2ccc(N(C)C)cc2)cc1 ZINC000284499729 1436026401 /nfs/dbraw/zinc/02/64/01/1436026401.db2.gz SUDAFEKCWUSADF-UHFFFAOYSA-O 1 0 386.541 3.377 20 30 GGEDRO COc1c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(Cl)cc1C(N)=O ZINC000284506673 1436026679 /nfs/dbraw/zinc/02/66/79/1436026679.db2.gz YBHSPHSBFFOMGY-UHFFFAOYSA-N 1 0 398.894 3.396 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc(OCCCC)cc1)[n+]1cccc(CO)c1 ZINC000284535788 1436028567 /nfs/dbraw/zinc/02/85/67/1436028567.db2.gz VGULBLABIGXQBI-UHFFFAOYSA-O 1 0 399.536 3.360 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000284647096 1436036894 /nfs/dbraw/zinc/03/68/94/1436036894.db2.gz DYMCEYIJJJTGHQ-HUUCEWRRSA-N 1 0 385.489 3.030 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284655686 1436037507 /nfs/dbraw/zinc/03/75/07/1436037507.db2.gz WJSRJXZCVRTAKJ-KRWDZBQOSA-N 1 0 393.487 3.115 20 30 GGEDRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2SCC#N)C[C@H]1Cc1ccccc1 ZINC000284729914 1436044158 /nfs/dbraw/zinc/04/41/58/1436044158.db2.gz JZKLARKAOOIXGV-LJQANCHMSA-N 1 0 394.544 3.099 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000284741176 1436045207 /nfs/dbraw/zinc/04/52/07/1436045207.db2.gz KSOXBWRPYSUKEB-HUUCEWRRSA-N 1 0 385.489 3.030 20 30 GGEDRO C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000284746909 1436046011 /nfs/dbraw/zinc/04/60/11/1436046011.db2.gz LHPJDMUFNPWBHI-IBGZPJMESA-N 1 0 382.895 3.009 20 30 GGEDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccc(C#N)cc1 ZINC000284753597 1436046709 /nfs/dbraw/zinc/04/67/09/1436046709.db2.gz GCGFLEMYNXXJGW-WOIUINJBSA-N 1 0 377.492 3.227 20 30 GGEDRO C[C@@H]([NH2+]CCC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824590275 1449616757 /nfs/dbraw/zinc/61/67/57/1449616757.db2.gz AXVDVQMZSFTASZ-JKSUJKDBSA-N 1 0 375.480 3.130 20 30 GGEDRO C[C@H]([NH2+]CC=CC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000824584887 1449904913 /nfs/dbraw/zinc/90/49/13/1449904913.db2.gz IXYRIIPHWTVJSQ-RYTMFUSVSA-N 1 0 387.491 3.296 20 30 GGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@H]43)c(Cl)nn2)cc1 ZINC001164411011 718877300 /nfs/dbraw/zinc/87/73/00/718877300.db2.gz LFJFWPAPVZQWFN-GDBMZVCRSA-N 1 0 375.810 3.154 20 30 GGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@@H]43)c(Cl)nn2)c1 ZINC001164410763 718877628 /nfs/dbraw/zinc/87/76/28/718877628.db2.gz GSQLXNDXJNYHMB-HOCLYGCPSA-N 1 0 375.810 3.154 20 30 GGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4C[C@@]4([NH3+])C3)c(Cl)nn2)cc1 ZINC001164418628 718897272 /nfs/dbraw/zinc/89/72/72/718897272.db2.gz DVJMFGZHSWIZLE-SUMWQHHRSA-N 1 0 375.810 3.141 20 30 GGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@H]43)c(Cl)nn2)cc1 ZINC001164448886 719003014 /nfs/dbraw/zinc/00/30/14/719003014.db2.gz JVFLLSKDPOAYMS-GDBMZVCRSA-N 1 0 375.810 3.154 20 30 GGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C4(C#N)CCC4)cn3)CC2)CC1 ZINC001164618377 719026396 /nfs/dbraw/zinc/02/63/96/719026396.db2.gz UXJWPFBOSUGDKV-UHFFFAOYSA-N 1 0 396.535 3.271 20 30 GGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4c(c3C#N)CCCC4)CC2)CC1 ZINC001164617236 719035480 /nfs/dbraw/zinc/03/54/80/719035480.db2.gz KEMVNQTZOXYSSO-UHFFFAOYSA-N 1 0 396.535 3.076 20 30 GGEDRO C=CCNC(=O)c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624357 719097123 /nfs/dbraw/zinc/09/71/23/719097123.db2.gz FMFBOGYDJDXVIW-CTNGQTDRSA-N 1 0 376.504 3.098 20 30 GGEDRO C=CCNC(=O)c1cccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624359 719097430 /nfs/dbraw/zinc/09/74/30/719097430.db2.gz FMFBOGYDJDXVIW-FPOVZHCZSA-N 1 0 376.504 3.098 20 30 GGEDRO C=CCNC(=O)c1cccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624363 719097542 /nfs/dbraw/zinc/09/75/42/719097542.db2.gz FMFBOGYDJDXVIW-TZIWHRDSSA-N 1 0 376.504 3.098 20 30 GGEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001164629365 719115168 /nfs/dbraw/zinc/11/51/68/719115168.db2.gz SBTRXTXSVJFKFX-KWQFWETISA-N 1 0 379.213 3.318 20 30 GGEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164629367 719115604 /nfs/dbraw/zinc/11/56/04/719115604.db2.gz SBTRXTXSVJFKFX-LDYMZIIASA-N 1 0 379.213 3.318 20 30 GGEDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)C[C@@H]21 ZINC001164667228 719397477 /nfs/dbraw/zinc/39/74/77/719397477.db2.gz NGUIPZXWTBBMTA-ZWKOTPCHSA-N 1 0 376.485 3.354 20 30 GGEDRO CC(C)N(C)Cc1nn(-c2nc(-c3cccs3)ccc2C#N)c2c1CC[NH2+]C2 ZINC001164680675 719641942 /nfs/dbraw/zinc/64/19/42/719641942.db2.gz ZXGBYYNVIAPIAC-UHFFFAOYSA-N 1 0 392.532 3.353 20 30 GGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(Cl)nc2C#N)CC3)cs1 ZINC001164694542 719805233 /nfs/dbraw/zinc/80/52/33/719805233.db2.gz ZPFUVDCGWFPZJU-UHFFFAOYSA-N 1 0 388.928 3.402 20 30 GGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C#N)c(C)n1)CC2 ZINC001164712059 720128863 /nfs/dbraw/zinc/12/88/63/720128863.db2.gz KIXHWUADIGIIFR-NRFANRHFSA-N 1 0 391.519 3.164 20 30 GGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(CC#N)ccn1)CC2 ZINC001164711266 720130677 /nfs/dbraw/zinc/13/06/77/720130677.db2.gz GSMOSADXWAFHPT-OAQYLSRUSA-N 1 0 391.519 3.050 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C#C[Si](C)(C)C)C2 ZINC001164814977 720139711 /nfs/dbraw/zinc/13/97/11/720139711.db2.gz UXEFYJJZNRRREQ-FYYLOGMGSA-N 1 0 397.639 3.495 20 30 GGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C#N)cc(C)n1)CC2 ZINC001164714136 720151319 /nfs/dbraw/zinc/15/13/19/720151319.db2.gz WITJSXUVWKMWDW-NRFANRHFSA-N 1 0 391.519 3.164 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C#N)c3ccccc3n1)C2 ZINC001164814425 720166423 /nfs/dbraw/zinc/16/64/23/720166423.db2.gz GJQGOYTXYOSVHZ-WMZHIEFXSA-N 1 0 376.504 3.291 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(Cl)c1C#N)C2 ZINC001164812116 720194851 /nfs/dbraw/zinc/19/48/51/720194851.db2.gz KUJOTVRMXQIJIZ-IFXJQAMLSA-N 1 0 395.334 3.445 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(Cl)c1C#N)C2 ZINC001164812114 720195447 /nfs/dbraw/zinc/19/54/47/720195447.db2.gz KUJOTVRMXQIJIZ-AUUYWEPGSA-N 1 0 395.334 3.445 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(c1C#N)CCCC3)C2 ZINC001164814096 720201264 /nfs/dbraw/zinc/20/12/64/720201264.db2.gz SLAOUILQMULMRY-WMZHIEFXSA-N 1 0 380.536 3.017 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3c(c1C#N)CCCC3)C2 ZINC001164814100 720202467 /nfs/dbraw/zinc/20/24/67/720202467.db2.gz SLAOUILQMULMRY-XXBNENTESA-N 1 0 380.536 3.017 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(C#N)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833379 720512917 /nfs/dbraw/zinc/51/29/17/720512917.db2.gz DLCPJXCNSRARRR-ZIFCJYIRSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(Cl)c(C#N)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839042 720514264 /nfs/dbraw/zinc/51/42/64/720514264.db2.gz SDYUOGYXAYMGBD-JTDSTZFVSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(Cl)c3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839098 720522071 /nfs/dbraw/zinc/52/20/71/720522071.db2.gz SSGHYSPEZNAPIN-JTDSTZFVSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc(Cl)c3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839099 720522387 /nfs/dbraw/zinc/52/23/87/720522387.db2.gz SSGHYSPEZNAPIN-TXPKVOOTSA-N 1 0 384.915 3.181 20 30 GGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3ccccc3c(Cl)c2C#N)C1 ZINC001164734595 720523479 /nfs/dbraw/zinc/52/34/79/720523479.db2.gz RBDJSLRBJSSJSL-AWEZNQCLSA-N 1 0 380.883 3.154 20 30 GGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC001164735009 720531197 /nfs/dbraw/zinc/53/11/97/720531197.db2.gz MOTNFDYWAFVJHQ-AWEZNQCLSA-N 1 0 380.883 3.154 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)cc(C#N)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835811 720532531 /nfs/dbraw/zinc/53/25/31/720532531.db2.gz HWOOIDQJRAKATK-AYOQOUSVSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(C#N)c[nH]c4n3)CC[C@@H]21 ZINC001164840757 720556599 /nfs/dbraw/zinc/55/65/99/720556599.db2.gz SRQHHVAXYXFLPX-QRFRQXIXSA-N 1 0 389.507 3.009 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(Cl)cc3C#N)CC[C@@H]21 ZINC001164835941 720579669 /nfs/dbraw/zinc/57/96/69/720579669.db2.gz CXTSASFMHOQLGO-WDSOQIARSA-N 1 0 384.915 3.181 20 30 GGEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1CC#N ZINC001164836182 720616431 /nfs/dbraw/zinc/61/64/31/720616431.db2.gz FDDYOXCCYPIMTR-NJDAHSKKSA-N 1 0 378.524 3.030 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164841807 720669779 /nfs/dbraw/zinc/66/97/79/720669779.db2.gz QGKMISVZISNDBY-QGZVFWFLSA-N 1 0 397.910 3.262 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(F)cc1C#N)CC2 ZINC001164843282 720671553 /nfs/dbraw/zinc/67/15/53/720671553.db2.gz VUQICPBVUIUAIU-HXUWFJFHSA-N 1 0 380.467 3.352 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164843242 720672391 /nfs/dbraw/zinc/67/23/91/720672391.db2.gz VSWNPBDSUGCEON-KRWDZBQOSA-N 1 0 397.910 3.262 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc(Cl)c1C#N)CC2 ZINC001164838195 720672775 /nfs/dbraw/zinc/67/27/75/720672775.db2.gz GGGQNSYWQWSXDL-KRWDZBQOSA-N 1 0 397.910 3.262 20 30 GGEDRO Cc1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C=NO)c1 ZINC001164842324 720704786 /nfs/dbraw/zinc/70/47/86/720704786.db2.gz YHEYTAGUXPSVPE-NRFANRHFSA-N 1 0 394.519 3.458 20 30 GGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncnc3ccc(C#N)cc31)[C@H]2C ZINC001164857616 720936786 /nfs/dbraw/zinc/93/67/86/720936786.db2.gz GQGQNGHIGALCEN-HNNXBMFYSA-N 1 0 375.480 3.119 20 30 GGEDRO CCCc1cc(C#N)c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164762831 721151391 /nfs/dbraw/zinc/15/13/91/721151391.db2.gz DUYOCSATNWNBKU-IEBWSBKVSA-N 1 0 398.942 3.251 20 30 GGEDRO COc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncc1C#N ZINC001164793959 721489660 /nfs/dbraw/zinc/48/96/60/721489660.db2.gz ZBOCYFJWIIFAFY-UHFFFAOYSA-N 1 0 377.492 3.238 20 30 GGEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164793588 721491873 /nfs/dbraw/zinc/49/18/73/721491873.db2.gz SZXCSEXJHAXUPD-UHFFFAOYSA-N 1 0 382.899 3.278 20 30 GGEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164792107 721491916 /nfs/dbraw/zinc/49/19/16/721491916.db2.gz GTBMDYOGLXVLCQ-UHFFFAOYSA-N 1 0 382.899 3.278 20 30 GGEDRO COc1cc(C#N)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164791537 721495924 /nfs/dbraw/zinc/49/59/24/721495924.db2.gz DCQQOQGCFOHMAC-UHFFFAOYSA-N 1 0 377.492 3.238 20 30 GGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc(C#N)cc32)[C@H]2CCCO[C@H]12 ZINC001164807792 721547442 /nfs/dbraw/zinc/54/74/42/721547442.db2.gz RHMALZIDQCKCRM-ZRBLBEILSA-N 1 0 399.498 3.370 20 30 GGEDRO N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164911325 721567286 /nfs/dbraw/zinc/56/72/86/721567286.db2.gz YXQAHKWOGRSFOB-QUCCMNQESA-N 1 0 392.478 3.313 20 30 GGEDRO COc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1C#N ZINC001164906158 721584098 /nfs/dbraw/zinc/58/40/98/721584098.db2.gz ZDPFDUPJZCJMFG-FQEVSTJZSA-N 1 0 399.445 3.095 20 30 GGEDRO Cc1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164905522 721586739 /nfs/dbraw/zinc/58/67/39/721586739.db2.gz JQXVGXFOAWSEKY-FQEVSTJZSA-N 1 0 383.446 3.394 20 30 GGEDRO N#Cc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1F ZINC001164908609 721703875 /nfs/dbraw/zinc/70/38/75/721703875.db2.gz YIIIEGQJFMYCTN-LJQANCHMSA-N 1 0 387.409 3.225 20 30 GGEDRO COc1cc(C#N)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904859 721708410 /nfs/dbraw/zinc/70/84/10/721708410.db2.gz DNSOSCMOAVCQEV-FQEVSTJZSA-N 1 0 399.445 3.095 20 30 GGEDRO N#Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(F)c1 ZINC001164908273 721715575 /nfs/dbraw/zinc/71/55/75/721715575.db2.gz WUDSFZXWRDZYJC-IBGZPJMESA-N 1 0 387.409 3.225 20 30 GGEDRO COc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1C#N ZINC001165025407 721799657 /nfs/dbraw/zinc/79/96/57/721799657.db2.gz NYVWUYCEJNHHMY-VDGAXYAQSA-N 1 0 377.492 3.094 20 30 GGEDRO COc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1C#N ZINC001165025404 721799781 /nfs/dbraw/zinc/79/97/81/721799781.db2.gz NYVWUYCEJNHHMY-DBVUQKKJSA-N 1 0 377.492 3.094 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cnc3C#N)C[C@@H]21 ZINC001165027720 721805402 /nfs/dbraw/zinc/80/54/02/721805402.db2.gz XMMNCHNVWOZAQB-UWWQBHOKSA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3C#N)C[C@@H]21 ZINC001165025499 721805476 /nfs/dbraw/zinc/80/54/76/721805476.db2.gz OQQALVAIDCERAF-JCGIZDLHSA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)cc3C#N)C[C@H]21 ZINC001165024677 721806288 /nfs/dbraw/zinc/80/62/88/721806288.db2.gz MQYHUVFQOYXWLR-ZTFGCOKTSA-N 1 0 382.899 3.134 20 30 GGEDRO COc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165018692 721808527 /nfs/dbraw/zinc/80/85/27/721808527.db2.gz BYBIBTSOSACUMA-DBVUQKKJSA-N 1 0 377.492 3.094 20 30 GGEDRO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165025115 721813311 /nfs/dbraw/zinc/81/33/11/721813311.db2.gz LKSMCEYYQACZNH-SNRMKQJTSA-N 1 0 396.926 3.442 20 30 GGEDRO COc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)cc1C#N ZINC001165023117 721822039 /nfs/dbraw/zinc/82/20/39/721822039.db2.gz HLZKZYAKKJGTQT-QKYXUNIQSA-N 1 0 395.482 3.233 20 30 GGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(F)cc2C#N)CC1 ZINC001165022219 721838963 /nfs/dbraw/zinc/83/89/63/721838963.db2.gz QJANPTVTVUMLQZ-UHFFFAOYSA-N 1 0 384.455 3.210 20 30 GGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)c(C#N)cn2)CC1 ZINC001165020447 721840212 /nfs/dbraw/zinc/84/02/12/721840212.db2.gz JHFYCDIBOHLAJS-UHFFFAOYSA-N 1 0 380.492 3.380 20 30 GGEDRO Cc1ccc2nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c(C#N)c(Cl)c2c1 ZINC001164930601 721890855 /nfs/dbraw/zinc/89/08/55/721890855.db2.gz CDRRFVREVDMMBP-MOPGFXCFSA-N 1 0 383.927 3.283 20 30 GGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c12 ZINC001164935706 721890901 /nfs/dbraw/zinc/89/09/01/721890901.db2.gz WTJZYWDFJMYLBI-ZWKOTPCHSA-N 1 0 383.927 3.283 20 30 GGEDRO COc1cc(C#N)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164939358 721926713 /nfs/dbraw/zinc/92/67/13/721926713.db2.gz JWQDHNQUJWFWLE-UHFFFAOYSA-N 1 0 392.503 3.142 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(CC#N)ccn4)CC3)C2)cc1 ZINC001164939118 721928639 /nfs/dbraw/zinc/92/86/39/721928639.db2.gz JEYBJCXXDOQAPE-UHFFFAOYSA-N 1 0 376.504 3.328 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(C#N)cc4F)CC3)C2)cc1 ZINC001164940255 721928946 /nfs/dbraw/zinc/92/89/46/721928946.db2.gz UIZREUGVBKEFBX-UHFFFAOYSA-N 1 0 380.467 3.272 20 30 GGEDRO C=CCOc1cc(C)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952224 722018390 /nfs/dbraw/zinc/01/83/90/722018390.db2.gz JUBJCFANVBMIEX-UHFFFAOYSA-N 1 0 379.508 3.237 20 30 GGEDRO N#Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc12 ZINC001164984990 722139739 /nfs/dbraw/zinc/13/97/39/722139739.db2.gz YRYKVFBCNKSDLT-AUSIDOKSSA-N 1 0 399.498 3.229 20 30 GGEDRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)cc1C#N ZINC001164971112 722155571 /nfs/dbraw/zinc/15/55/71/722155571.db2.gz AQTVUQRVBQOHEE-YLJYHZDGSA-N 1 0 397.910 3.037 20 30 GGEDRO C=C(C)C[NH+]1CCC(Nc2c(Br)cccc2-c2nn[nH]n2)CC1 ZINC001573294160 946979708 /nfs/dbraw/zinc/97/97/08/946979708.db2.gz WXYFIEMVXOULJT-UHFFFAOYSA-N 1 0 377.290 3.082 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNc1nc(C)c(-c2nn[nH]n2)cc1Cl)C(C)C ZINC001573340882 947520442 /nfs/dbraw/zinc/52/04/42/947520442.db2.gz BZMWUTLVRXLLOU-MRXNPFEDSA-N 1 0 375.908 3.334 20 30 GGEDRO CC(C)[C@@H]1CN(c2c(C#N)cccc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC001574099472 949174281 /nfs/dbraw/zinc/17/42/81/949174281.db2.gz KXSZAWGEJXUPEV-FQEVSTJZSA-N 1 0 387.491 3.085 20 30 GGEDRO C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598472825 992054894 /nfs/dbraw/zinc/05/48/94/992054894.db2.gz UOHLOJRHLHYYMS-OAQYLSRUSA-N 1 0 378.476 3.317 20 30 GGEDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(Br)cc1C#N ZINC001644309140 1126247282 /nfs/dbraw/zinc/24/72/82/1126247282.db2.gz WKKZGEMEQSRXJB-LJQANCHMSA-N 1 0 389.293 3.413 20 30 GGEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Br)cc2C#N)cc1 ZINC001656294185 1126257516 /nfs/dbraw/zinc/25/75/16/1126257516.db2.gz UFIZZRKERMIULF-IBGZPJMESA-N 1 0 389.293 3.413 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@@H]2CCOC2)c1C#N ZINC000079020422 208069338 /nfs/dbraw/zinc/06/93/38/208069338.db2.gz FDVOUGZHIWEEHM-INIZCTEOSA-N 1 0 384.455 3.012 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000095469114 208191426 /nfs/dbraw/zinc/19/14/26/208191426.db2.gz ZPJKDSMEPZEVRL-UHFFFAOYSA-N 1 0 389.434 3.270 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025305195 519146290 /nfs/dbraw/zinc/14/62/90/519146290.db2.gz RJYKJSUGJDFTRW-JOCHJYFZSA-N 1 0 394.515 3.049 20 30 GGEDRO COc1ccc(Br)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000120293455 564313779 /nfs/dbraw/zinc/31/37/79/564313779.db2.gz HTLZSDWJDNPULT-UHFFFAOYSA-N 1 0 383.290 3.157 20 30 GGEDRO C[C@H]1CCCN(Cc2csc([N-]S(=O)(=O)c3ccc(C#N)cc3)n2)C1 ZINC000119258742 564263038 /nfs/dbraw/zinc/26/30/38/564263038.db2.gz YEZKTPAUDMVJEQ-ZDUSSCGKSA-N 1 0 376.507 3.047 20 30 GGEDRO C[C@@H]1CCCN(Cc2csc([N-]S(=O)(=O)c3ccc(C#N)cc3)n2)C1 ZINC000119258641 564263223 /nfs/dbraw/zinc/26/32/23/564263223.db2.gz YEZKTPAUDMVJEQ-CYBMUJFWSA-N 1 0 376.507 3.047 20 30 GGEDRO C=CCCS(=O)(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000119681906 564282710 /nfs/dbraw/zinc/28/27/10/564282710.db2.gz GEYQJRIPCMUREO-SFHVURJKSA-N 1 0 376.547 3.343 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000023410345 564324246 /nfs/dbraw/zinc/32/42/46/564324246.db2.gz XUKRKNINYBKRPS-DYVFJYSZSA-N 1 0 375.266 3.411 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)CSC)cc1OC ZINC000120662043 564331577 /nfs/dbraw/zinc/33/15/77/564331577.db2.gz KKPLQMQHYNSDPP-INIZCTEOSA-N 1 0 390.343 3.226 20 30 GGEDRO COCCCCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120977476 564347175 /nfs/dbraw/zinc/34/71/75/564347175.db2.gz WRBXJOLGYXUWCD-GOSISDBHSA-N 1 0 380.330 3.448 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cncc(Br)c3)CC2)cc1 ZINC000029712080 564372700 /nfs/dbraw/zinc/37/27/00/564372700.db2.gz KOUCREHHRJJSLH-UHFFFAOYSA-N 1 0 385.309 3.424 20 30 GGEDRO N#CCCCCS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000121599738 564376502 /nfs/dbraw/zinc/37/65/02/564376502.db2.gz KXJUKSFRDPVVJG-UHFFFAOYSA-N 1 0 383.945 3.261 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000030532693 564382260 /nfs/dbraw/zinc/38/22/60/564382260.db2.gz JBFIYLUFIUJBEC-GUYCJALGSA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000030532655 564382702 /nfs/dbraw/zinc/38/27/02/564382702.db2.gz UTGROLRBXIWTAO-CXAGYDPISA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000030532687 564382722 /nfs/dbraw/zinc/38/27/22/564382722.db2.gz JBFIYLUFIUJBEC-CXAGYDPISA-N 1 0 375.266 3.411 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000122036157 564397134 /nfs/dbraw/zinc/39/71/34/564397134.db2.gz ZDBXKOYHDOGIQD-UHFFFAOYSA-N 1 0 396.285 3.436 20 30 GGEDRO Cc1cc(Br)oc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000044566577 564469426 /nfs/dbraw/zinc/46/94/26/564469426.db2.gz MTJJCDIQFBKNFW-UHFFFAOYSA-N 1 0 390.281 3.426 20 30 GGEDRO C=CCC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000125015024 564501144 /nfs/dbraw/zinc/50/11/44/564501144.db2.gz SOIWYMXXBZFADT-KRWDZBQOSA-N 1 0 381.314 3.427 20 30 GGEDRO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125633532 564521016 /nfs/dbraw/zinc/52/10/16/564521016.db2.gz CACYBNGJPKRMFQ-ZWKOTPCHSA-N 1 0 375.266 3.020 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000130771818 564691291 /nfs/dbraw/zinc/69/12/91/564691291.db2.gz QHDDRBGXLURHOZ-SJORKVTESA-N 1 0 378.314 3.247 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000130769469 564691806 /nfs/dbraw/zinc/69/18/06/564691806.db2.gz RUTQACLWZRWMQK-UHFFFAOYSA-N 1 0 377.286 3.238 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000130890461 564696088 /nfs/dbraw/zinc/69/60/88/564696088.db2.gz PLQOMVITJOLEKJ-MRXNPFEDSA-N 1 0 379.298 3.082 20 30 GGEDRO Cc1ccc(O[C@H](C)C(=O)N(CCC#N)CCC[NH+](C)C)c(Br)c1 ZINC000064361187 564728156 /nfs/dbraw/zinc/72/81/56/564728156.db2.gz SFWNRTUHJFJZEU-OAHLLOKOSA-N 1 0 396.329 3.219 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C#N ZINC000133366543 564771189 /nfs/dbraw/zinc/77/11/89/564771189.db2.gz OKLKFHHQNCHMBO-NSHDSACASA-N 1 0 377.901 3.206 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000066708027 564772787 /nfs/dbraw/zinc/77/27/87/564772787.db2.gz ALUOQPVRQGDAFI-SFHVURJKSA-N 1 0 381.303 3.239 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)cc2Br)c1C#N ZINC000133806887 564785978 /nfs/dbraw/zinc/78/59/78/564785978.db2.gz DZDNFXXPFVPTNN-UHFFFAOYSA-N 1 0 396.676 3.102 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000067712348 564798080 /nfs/dbraw/zinc/79/80/80/564798080.db2.gz GEJBRLOVIFIRLO-KRWDZBQOSA-N 1 0 378.314 3.472 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H](CC(N)=O)C2)cc1OC ZINC000093808897 564890597 /nfs/dbraw/zinc/89/05/97/564890597.db2.gz JGQPTNHOGNCWJK-ZDUSSCGKSA-N 1 0 397.313 3.110 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000104326835 564953818 /nfs/dbraw/zinc/95/38/18/564953818.db2.gz JSVZAMQPNSMCLL-UHFFFAOYSA-N 1 0 377.286 3.238 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000104676568 564958396 /nfs/dbraw/zinc/95/83/96/564958396.db2.gz GVTOMZZIJVJNKZ-UHFFFAOYSA-N 1 0 395.341 3.469 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(I)cc2)CC1 ZINC000106039470 564976919 /nfs/dbraw/zinc/97/69/19/564976919.db2.gz CKIZSDVVDUHCCJ-UHFFFAOYSA-N 1 0 384.261 3.062 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000106040344 564977071 /nfs/dbraw/zinc/97/70/71/564977071.db2.gz FUDZMROREUKNLS-AWEZNQCLSA-N 1 0 381.314 3.373 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000106266994 564981158 /nfs/dbraw/zinc/98/11/58/564981158.db2.gz WGESJOXHHNBJNV-UHFFFAOYSA-N 1 0 398.320 3.470 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCc1ccc(Br)cc1 ZINC000106861634 564989963 /nfs/dbraw/zinc/98/99/63/564989963.db2.gz RFOJNZQTZFFLOJ-RDTXWAMCSA-N 1 0 380.330 3.366 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCc1ccc(Br)cc1 ZINC000106861639 564990316 /nfs/dbraw/zinc/99/03/16/564990316.db2.gz RFOJNZQTZFFLOJ-KSSFIOAISA-N 1 0 380.330 3.366 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(I)c2)CC1 ZINC000107597106 565000723 /nfs/dbraw/zinc/00/07/23/565000723.db2.gz BSVXIXTUQKKWAK-UHFFFAOYSA-N 1 0 390.290 3.123 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000154032393 565022804 /nfs/dbraw/zinc/02/28/04/565022804.db2.gz SEWJQADJUWGIKW-UHFFFAOYSA-N 1 0 384.977 3.127 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000109818664 565032287 /nfs/dbraw/zinc/03/22/87/565032287.db2.gz ORHGDWPQUJWPSX-GOSISDBHSA-N 1 0 380.330 3.414 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000114087855 565072247 /nfs/dbraw/zinc/07/22/47/565072247.db2.gz VAVUTBYBZXEOMW-NSHDSACASA-N 1 0 381.311 3.347 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(I)c2C)CC1 ZINC000155968636 565073456 /nfs/dbraw/zinc/07/34/56/565073456.db2.gz PTXVTEPSQCYHPU-UHFFFAOYSA-N 1 0 398.288 3.370 20 30 GGEDRO CN1CC[NH+](CC2(C)CCN(c3ccc(Br)cc3C#N)CC2)CC1 ZINC000369390726 565091093 /nfs/dbraw/zinc/09/10/93/565091093.db2.gz DORONGVFBSIWMY-UHFFFAOYSA-N 1 0 391.357 3.175 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183819134 565096473 /nfs/dbraw/zinc/09/64/73/565096473.db2.gz AONZNLLHPFVSDZ-UHFFFAOYSA-N 1 0 394.313 3.054 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CC[NH+](C)CC1 ZINC000156698862 565101045 /nfs/dbraw/zinc/10/10/45/565101045.db2.gz SIJPAXIRRFNIRC-UHFFFAOYSA-N 1 0 384.293 3.380 20 30 GGEDRO O=C(c1ccc(Cl)s1)C(C(=S)NC1CCC1)[n+]1cccc(CO)c1 ZINC000292291999 565108737 /nfs/dbraw/zinc/10/87/37/565108737.db2.gz JNZLNTYQFDSHJK-UHFFFAOYSA-O 1 0 381.930 3.262 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267989830 565137502 /nfs/dbraw/zinc/13/75/02/565137502.db2.gz RAIMZCUYCKVITN-KBXCAEBGSA-N 1 0 378.567 3.497 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000268089529 565141089 /nfs/dbraw/zinc/14/10/89/565141089.db2.gz ZUVXHBYRMMEFKT-SJKOYZFVSA-N 1 0 386.323 3.365 20 30 GGEDRO CC(C)(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1Br ZINC000158518030 565172518 /nfs/dbraw/zinc/17/25/18/565172518.db2.gz DFDXJWPXKGWBFA-QGZVFWFLSA-N 1 0 386.293 3.415 20 30 GGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000185847648 565225395 /nfs/dbraw/zinc/22/53/95/565225395.db2.gz KLUOFOUWZZSQRJ-HZPDHXFCSA-N 1 0 381.567 3.137 20 30 GGEDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810723 565255050 /nfs/dbraw/zinc/25/50/50/565255050.db2.gz WCFBNTFNOOIMST-FUHWJXTLSA-N 1 0 389.297 3.142 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC1 ZINC000372974047 565262979 /nfs/dbraw/zinc/26/29/79/565262979.db2.gz BOSRORBOMRXXTA-CHWSQXEVSA-N 1 0 384.343 3.316 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295417181 565264453 /nfs/dbraw/zinc/26/44/53/565264453.db2.gz CGGFCGLWLVZLNA-XJKSGUPXSA-N 1 0 384.277 3.102 20 30 GGEDRO N#Cc1cc(Cl)ccc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000186757422 565284131 /nfs/dbraw/zinc/28/41/31/565284131.db2.gz AUWOUQJWIZNODS-UHFFFAOYSA-N 1 0 375.822 3.298 20 30 GGEDRO CC1(C#N)CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000272536018 565290204 /nfs/dbraw/zinc/29/02/04/565290204.db2.gz JCBGYAINEBSLER-CYBMUJFWSA-N 1 0 387.705 3.468 20 30 GGEDRO N#CCSCCC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161758797 565292546 /nfs/dbraw/zinc/29/25/46/565292546.db2.gz NCMKQBKQMZWNIV-UHFFFAOYSA-N 1 0 386.334 3.353 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000272907052 565302298 /nfs/dbraw/zinc/30/22/98/565302298.db2.gz WEPCJKZJTIIUTI-INIZCTEOSA-N 1 0 390.343 3.107 20 30 GGEDRO N#Cc1ccc(CN2CCC(O)(c3scnc3Br)CC2)cc1 ZINC000374042062 565317650 /nfs/dbraw/zinc/31/76/50/565317650.db2.gz VCKCWZPIBYJKNG-UHFFFAOYSA-N 1 0 378.295 3.261 20 30 GGEDRO CS[C@@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1[NH+](C)C ZINC000273755896 565334379 /nfs/dbraw/zinc/33/43/79/565334379.db2.gz UKQOWHOKBWITDU-JLJPHGGASA-N 1 0 378.567 3.448 20 30 GGEDRO C#CCSCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000375198340 565374958 /nfs/dbraw/zinc/37/49/58/565374958.db2.gz WGADOKONZMWJRZ-UHFFFAOYSA-N 1 0 395.366 3.318 20 30 GGEDRO C=CCn1c(SCCN2CCOC[C@H]2C)nc2cc(Cl)ccc2c1=O ZINC000188187962 565386199 /nfs/dbraw/zinc/38/61/99/565386199.db2.gz HQLOYZQZWLCORN-CYBMUJFWSA-N 1 0 379.913 3.049 20 30 GGEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188189696 565386871 /nfs/dbraw/zinc/38/68/71/565386871.db2.gz AICJIXXNHNQZOP-HNNXBMFYSA-N 1 0 398.276 3.031 20 30 GGEDRO C[C@](C#N)(NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000170779486 565392517 /nfs/dbraw/zinc/39/25/17/565392517.db2.gz IFIKZCUNLWSHKA-QGZVFWFLSA-N 1 0 376.298 3.226 20 30 GGEDRO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H](O)c1cccc(Br)c1 ZINC000298463008 565415509 /nfs/dbraw/zinc/41/55/09/565415509.db2.gz RSAYIPGWQKXXAT-ROUUACIJSA-N 1 0 375.266 3.020 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC000188691752 565418329 /nfs/dbraw/zinc/41/83/29/565418329.db2.gz BCRGWHSTSLUJHV-UHFFFAOYSA-N 1 0 378.314 3.167 20 30 GGEDRO C=C(C)CN1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000171546643 565437488 /nfs/dbraw/zinc/43/74/88/565437488.db2.gz GIOKHZXXLVZJSJ-UHFFFAOYSA-N 1 0 381.314 3.350 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](c1ccccc1)[NH+](C)C ZINC000189035845 565438613 /nfs/dbraw/zinc/43/86/13/565438613.db2.gz SAWCSXSXVNVEFE-SCLBCKFNSA-N 1 0 377.897 3.181 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](c1ccccc1)[NH+](C)C ZINC000189035796 565438650 /nfs/dbraw/zinc/43/86/50/565438650.db2.gz SAWCSXSXVNVEFE-UGSOOPFHSA-N 1 0 377.897 3.181 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(Br)cc1C#N ZINC000376506895 565439734 /nfs/dbraw/zinc/43/97/34/565439734.db2.gz MSEVBEMOLPPYPT-FGTMMUONSA-N 1 0 378.314 3.004 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000171718613 565446769 /nfs/dbraw/zinc/44/67/69/565446769.db2.gz JJNSIOHOIASLQP-LBPRGKRZSA-N 1 0 385.277 3.122 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189799560 565489489 /nfs/dbraw/zinc/48/94/89/565489489.db2.gz XVJUYHDHSFVJTH-QZTJIDSGSA-N 1 0 378.314 3.200 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189799540 565490052 /nfs/dbraw/zinc/49/00/52/565490052.db2.gz XVJUYHDHSFVJTH-ZWKOTPCHSA-N 1 0 378.314 3.200 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000172607208 565493963 /nfs/dbraw/zinc/49/39/63/565493963.db2.gz CJKXTNGJHDNRAW-UHFFFAOYSA-N 1 0 392.341 3.430 20 30 GGEDRO CC[NH+]1CCN(Cc2ccc(CNc3snc(Cl)c3C#N)cc2)CC1 ZINC000301540809 565493868 /nfs/dbraw/zinc/49/38/68/565493868.db2.gz SAAZHNGSMHIQNC-UHFFFAOYSA-N 1 0 375.929 3.418 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3cccc(Br)c3)CC2)CC1 ZINC000172622828 565495597 /nfs/dbraw/zinc/49/55/97/565495597.db2.gz PYBLNKPTOBFQNB-UHFFFAOYSA-N 1 0 378.314 3.388 20 30 GGEDRO FC(F)C(F)(F)COCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000189922362 565497477 /nfs/dbraw/zinc/49/74/77/565497477.db2.gz KDQHOLSGHBLBOY-JTQLQIEISA-N 1 0 377.304 3.456 20 30 GGEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(C#N)cc1Br ZINC000278631425 565569550 /nfs/dbraw/zinc/56/95/50/565569550.db2.gz KXVMVVFSDOTDFF-AWEZNQCLSA-N 1 0 378.314 3.006 20 30 GGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752944 565576714 /nfs/dbraw/zinc/57/67/14/565576714.db2.gz XEKMXGNEGZTWFG-UMVBOHGHSA-N 1 0 377.286 3.187 20 30 GGEDRO C[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)COc1ccccc1C#N ZINC000314721954 565587332 /nfs/dbraw/zinc/58/73/32/565587332.db2.gz UUNJCVUPEMHJNX-CQSZACIVSA-N 1 0 381.295 3.254 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000408072973 565593754 /nfs/dbraw/zinc/59/37/54/565593754.db2.gz JPPBHHNZCLFSMT-LZWOXQAQSA-N 1 0 381.929 3.238 20 30 GGEDRO C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccccc1C#N ZINC000320626440 565603352 /nfs/dbraw/zinc/60/33/52/565603352.db2.gz CWQSCQJIVKUSKX-QGZVFWFLSA-N 1 0 375.266 3.192 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1ccc(Br)cc1 ZINC000320981449 565604024 /nfs/dbraw/zinc/60/40/24/565604024.db2.gz BINSPPWPYOBGAF-GUYCJALGSA-N 1 0 375.266 3.411 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1ccccc1C#N ZINC000321565506 565605846 /nfs/dbraw/zinc/60/58/46/565605846.db2.gz NFNWXGZSVSPNDM-KRWDZBQOSA-N 1 0 375.266 3.192 20 30 GGEDRO COc1cccc([C@H](CNc2ncc(Br)cc2C#N)[NH+](C)C)c1 ZINC000323313197 565612983 /nfs/dbraw/zinc/61/29/83/565612983.db2.gz GLKLLLNOHDIWQO-INIZCTEOSA-N 1 0 375.270 3.439 20 30 GGEDRO N#Cc1ccc(Br)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000191802751 565633208 /nfs/dbraw/zinc/63/32/08/565633208.db2.gz SKNMGDRLWCGMGA-UHFFFAOYSA-N 1 0 392.341 3.398 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000328618264 565635636 /nfs/dbraw/zinc/63/56/36/565635636.db2.gz UZDOPNJLLLSECH-DOTOQJQBSA-N 1 0 386.323 3.464 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000328757321 565640440 /nfs/dbraw/zinc/64/04/40/565640440.db2.gz UYOMDHYECNMZNR-HZPDHXFCSA-N 1 0 394.313 3.243 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C[N@@H+]1C1CC1 ZINC000328808999 565641974 /nfs/dbraw/zinc/64/19/74/565641974.db2.gz MJTGGBLQJPGRJY-FTGAXOIBSA-N 1 0 398.276 3.151 20 30 GGEDRO C[N@H+](CC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCSC1 ZINC000328821475 565643826 /nfs/dbraw/zinc/64/38/26/565643826.db2.gz QJNRAJQWIJKFCL-DZGCQCFKSA-N 1 0 381.929 3.229 20 30 GGEDRO Cc1noc([C@H]2CCN(CC(=O)Nc3ccc(Br)cc3F)C2)n1 ZINC000329067344 565652084 /nfs/dbraw/zinc/65/20/84/565652084.db2.gz WXWNYDQBJUNOND-JTQLQIEISA-N 1 0 383.221 3.357 20 30 GGEDRO N#CCCN(C[C@H](O)COc1ccc(Cl)cc1Br)CC1CC1 ZINC000174698958 565652149 /nfs/dbraw/zinc/65/21/49/565652149.db2.gz SAMHVHJKTUSKNP-AWEZNQCLSA-N 1 0 387.705 3.468 20 30 GGEDRO COc1cc(Br)ccc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329107474 565654234 /nfs/dbraw/zinc/65/42/34/565654234.db2.gz PCQMZGFYFSFIJV-UHFFFAOYSA-N 1 0 397.313 3.407 20 30 GGEDRO O=C(Nc1nnc(-c2ccccn2)s1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329156096 565657093 /nfs/dbraw/zinc/65/70/93/565657093.db2.gz AXFDLINGEJZCFT-ZDUSSCGKSA-N 1 0 375.523 3.406 20 30 GGEDRO COc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc(OC)c1Br ZINC000329213238 565659697 /nfs/dbraw/zinc/65/96/97/565659697.db2.gz JCONBBBVAQUYEZ-CHWSQXEVSA-N 1 0 398.301 3.228 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc3nccnc3c2Br)CC[N@@H+]1C ZINC000329418079 565665767 /nfs/dbraw/zinc/66/57/67/565665767.db2.gz GELWGTJASKVBLR-GHMZBOCLSA-N 1 0 378.274 3.201 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3nccnc3c2Br)CC[N@@H+]1C ZINC000329418080 565666541 /nfs/dbraw/zinc/66/65/41/565666541.db2.gz GELWGTJASKVBLR-MNOVXSKESA-N 1 0 378.274 3.201 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(Br)c3)C2=O)cc1 ZINC000192241780 565673201 /nfs/dbraw/zinc/67/32/01/565673201.db2.gz KJWQFZXSPBTOSU-GOSISDBHSA-N 1 0 384.277 3.211 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@H+]2CCSC[C@H]2CO)sc2c1CCCCC2 ZINC000329682830 565675704 /nfs/dbraw/zinc/67/57/04/565675704.db2.gz YUDLJMMWCXEYMP-CYBMUJFWSA-N 1 0 379.551 3.276 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1c(F)cc(F)cc1Br ZINC000192286081 565676275 /nfs/dbraw/zinc/67/62/75/565676275.db2.gz PYHHHDPOYOIPJZ-UHFFFAOYSA-N 1 0 389.244 3.427 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000192347306 565681845 /nfs/dbraw/zinc/68/18/45/565681845.db2.gz TWVYUCWSJGESGE-UHFFFAOYSA-N 1 0 382.258 3.128 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000280585990 565682778 /nfs/dbraw/zinc/68/27/78/565682778.db2.gz TXVIYPVWAZEYQZ-GFCCVEGCSA-N 1 0 376.254 3.454 20 30 GGEDRO CN1CCc2nc(NC(=O)CN3CCOc4ccc(Cl)cc43)sc2C1 ZINC000329876764 565683257 /nfs/dbraw/zinc/68/32/57/565683257.db2.gz IIELGAJNWNJKNP-UHFFFAOYSA-N 1 0 378.885 3.271 20 30 GGEDRO Cc1ncsc1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000329894689 565684349 /nfs/dbraw/zinc/68/43/49/565684349.db2.gz BLXIZJOEZYOWSS-UHFFFAOYSA-N 1 0 376.448 3.260 20 30 GGEDRO [O-]C(NC[C@@H]1CCc2nccn2C1)=[NH+][C@H]1CCc2c1cccc2Br ZINC000329956787 565687599 /nfs/dbraw/zinc/68/75/99/565687599.db2.gz PDXSFTUFCKNUHL-LRDDRELGSA-N 1 0 389.297 3.399 20 30 GGEDRO O=C(N[C@@H]1CCn2ccnc2C1)N1CCc2cc(Br)cc(F)c21 ZINC000330047856 565689472 /nfs/dbraw/zinc/68/94/72/565689472.db2.gz JRSPETPTHMKKRU-GFCCVEGCSA-N 1 0 379.233 3.076 20 30 GGEDRO Cc1cc(NC(=O)CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)ccc1Br ZINC000330216165 565697322 /nfs/dbraw/zinc/69/73/22/565697322.db2.gz HNJLRVWQQKQHCK-OAHLLOKOSA-N 1 0 380.286 3.279 20 30 GGEDRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1Cl ZINC000330182420 565697592 /nfs/dbraw/zinc/69/75/92/565697592.db2.gz OYTCURWUCTWYGY-GJZGRUSLSA-N 1 0 383.901 3.408 20 30 GGEDRO CCN1CCN(C(=O)Nc2cc(C)cc(Br)c2)C[C@@H]1c1ncc[nH]1 ZINC000330335834 565701580 /nfs/dbraw/zinc/70/15/80/565701580.db2.gz RWOZEOQBJGCJOX-OAHLLOKOSA-N 1 0 392.301 3.405 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1Cl ZINC000330541365 565710818 /nfs/dbraw/zinc/71/08/18/565710818.db2.gz AFQCDOALAHRZGR-VXGBXAGGSA-N 1 0 390.311 3.325 20 30 GGEDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Cl)cc(Br)c1F ZINC000330605675 565714022 /nfs/dbraw/zinc/71/40/22/565714022.db2.gz JVYZONUQIAKODQ-NSHDSACASA-N 1 0 393.684 3.393 20 30 GGEDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Cl)ccc1Br ZINC000330613145 565714701 /nfs/dbraw/zinc/71/47/01/565714701.db2.gz RTKPBSNREQZVAF-LBPRGKRZSA-N 1 0 375.694 3.254 20 30 GGEDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Cl)ccc1Br ZINC000330613143 565714818 /nfs/dbraw/zinc/71/48/18/565714818.db2.gz RTKPBSNREQZVAF-GFCCVEGCSA-N 1 0 375.694 3.254 20 30 GGEDRO Cc1nc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c(Br)s1 ZINC000330654808 565717165 /nfs/dbraw/zinc/71/71/65/565717165.db2.gz KEZDYZQKONIQNB-UHFFFAOYSA-N 1 0 390.347 3.408 20 30 GGEDRO CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC[N@@H+]1C[C@H](C)O ZINC000330664153 565718116 /nfs/dbraw/zinc/71/81/16/565718116.db2.gz XYGVOIFZWIMJGC-WCQYABFASA-N 1 0 390.311 3.325 20 30 GGEDRO COc1cc(Br)c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1OC ZINC000330720659 565720516 /nfs/dbraw/zinc/72/05/16/565720516.db2.gz XCIMQAFUPNGZJP-MNOVXSKESA-N 1 0 386.290 3.036 20 30 GGEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(Br)ccc2F)C1 ZINC000330760432 565721158 /nfs/dbraw/zinc/72/11/58/565721158.db2.gz ZQCQVBOQOWPNED-CYBMUJFWSA-N 1 0 388.281 3.271 20 30 GGEDRO Cc1cc(CCC(=O)N(CCC#N)CCC[NH+](C)C)ccc1Br ZINC000175877592 565730782 /nfs/dbraw/zinc/73/07/82/565730782.db2.gz NKGFUXTYTRTXPX-UHFFFAOYSA-N 1 0 380.330 3.384 20 30 GGEDRO CC[C@H]1CN(C(=O)Nc2cccc(C)c2Br)CC[N@@H+]1C[C@H](C)O ZINC000330943903 565731176 /nfs/dbraw/zinc/73/11/76/565731176.db2.gz FVWMURBWWYXWDF-KBPBESRZSA-N 1 0 384.318 3.080 20 30 GGEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1C ZINC000330957542 565732563 /nfs/dbraw/zinc/73/25/63/565732563.db2.gz CSAUATQLRCOYDP-OCCSQVGLSA-N 1 0 387.933 3.094 20 30 GGEDRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1C ZINC000331098812 565738864 /nfs/dbraw/zinc/73/88/64/565738864.db2.gz DWNWVCHPAAXRHI-NEPJUHHUSA-N 1 0 398.301 3.114 20 30 GGEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000331199933 565745951 /nfs/dbraw/zinc/74/59/51/565745951.db2.gz WFNLSRLZSFKNLY-GHMZBOCLSA-N 1 0 390.709 3.035 20 30 GGEDRO COCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCSC1 ZINC000411758998 565750197 /nfs/dbraw/zinc/75/01/97/565750197.db2.gz PHVBZHNJPCPRDO-INIZCTEOSA-N 1 0 381.929 3.384 20 30 GGEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000331286163 565751892 /nfs/dbraw/zinc/75/18/92/565751892.db2.gz HZMFCNNZTOYEOY-SNVBAGLBSA-N 1 0 378.275 3.455 20 30 GGEDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(Cl)c(Br)c1 ZINC000331358966 565756431 /nfs/dbraw/zinc/75/64/31/565756431.db2.gz VWJBOHCPCVPBRS-GFCCVEGCSA-N 1 0 375.694 3.254 20 30 GGEDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(Cl)cc1Br ZINC000331357498 565756706 /nfs/dbraw/zinc/75/67/06/565756706.db2.gz UABOHYFEWSDYHQ-GFCCVEGCSA-N 1 0 375.694 3.254 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c(Br)c1 ZINC000412051411 565768463 /nfs/dbraw/zinc/76/84/63/565768463.db2.gz AGOBVUWZGXVEBL-INIZCTEOSA-N 1 0 376.298 3.298 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1OCC ZINC000193677494 565769544 /nfs/dbraw/zinc/76/95/44/565769544.db2.gz ZIYBZZAFNFJJQO-WBMJQRKESA-N 1 0 397.313 3.027 20 30 GGEDRO N#Cc1cccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1Br ZINC000412310991 565781062 /nfs/dbraw/zinc/78/10/62/565781062.db2.gz FAFMRIZZQIGRNK-UHFFFAOYSA-N 1 0 376.298 3.269 20 30 GGEDRO C=CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1 ZINC000176988541 565820733 /nfs/dbraw/zinc/82/07/33/565820733.db2.gz JQQJTIKGJBSOSH-UHFFFAOYSA-N 1 0 383.823 3.168 20 30 GGEDRO COc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1C#N ZINC000332464593 565839313 /nfs/dbraw/zinc/83/93/13/565839313.db2.gz QKIJBMOVTBSYDQ-UHFFFAOYSA-N 1 0 375.270 3.363 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cc(C)nn2C)cc1OC ZINC000284057154 565839553 /nfs/dbraw/zinc/83/95/53/565839553.db2.gz STFMPMNOGCIXHA-UHFFFAOYSA-N 1 0 380.286 3.354 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000332514973 565841903 /nfs/dbraw/zinc/84/19/03/565841903.db2.gz OEQHZSGMJXTUEO-OAHLLOKOSA-N 1 0 381.567 3.285 20 30 GGEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000332647359 565849918 /nfs/dbraw/zinc/84/99/18/565849918.db2.gz SUNQUXXZFWZXCU-LSDHHAIUSA-N 1 0 377.286 3.411 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000332740144 565854624 /nfs/dbraw/zinc/85/46/24/565854624.db2.gz YRIANPNTFGZVOR-QITLCBANSA-N 1 0 394.313 3.305 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000332740143 565854642 /nfs/dbraw/zinc/85/46/42/565854642.db2.gz YRIANPNTFGZVOR-PNPHSEOMSA-N 1 0 394.313 3.305 20 30 GGEDRO CC1(NC(=S)C(C(=O)c2ccc(Cl)s2)[n+]2cccc(CO)c2)CC1 ZINC000284477402 565855187 /nfs/dbraw/zinc/85/51/87/565855187.db2.gz RPHUPLLPPTYOLT-UHFFFAOYSA-O 1 0 381.930 3.262 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000195158851 565862558 /nfs/dbraw/zinc/86/25/58/565862558.db2.gz MFGUAIUUQMSKJF-IAGOWNOFSA-N 1 0 378.314 3.247 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000195158859 565862789 /nfs/dbraw/zinc/86/27/89/565862789.db2.gz MFGUAIUUQMSKJF-SJORKVTESA-N 1 0 378.314 3.247 20 30 GGEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000284658941 565863125 /nfs/dbraw/zinc/86/31/25/565863125.db2.gz GIKAVEAPABOACM-IBGZPJMESA-N 1 0 399.292 3.073 20 30 GGEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2cc(C#N)cs2)s1 ZINC000177696250 565867931 /nfs/dbraw/zinc/86/79/31/565867931.db2.gz WTXSBIYPRMLFJV-UHFFFAOYSA-N 1 0 383.564 3.044 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3cc(Br)cc(F)c32)CC1 ZINC000177868920 565878185 /nfs/dbraw/zinc/87/81/85/565878185.db2.gz DHZJFQYYXXFTHK-UHFFFAOYSA-N 1 0 382.277 3.311 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000333342165 565878221 /nfs/dbraw/zinc/87/82/21/565878221.db2.gz PWGALNJRXYVRJU-CQSZACIVSA-N 1 0 377.286 3.174 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000217433621 565897322 /nfs/dbraw/zinc/89/73/22/565897322.db2.gz DCJJSYRXIRZLGY-OAHLLOKOSA-N 1 0 385.961 3.456 20 30 GGEDRO CC(C)Sc1cc(Br)ccc1C[NH2+]CCn1cnc(C#N)n1 ZINC000285352869 565902527 /nfs/dbraw/zinc/90/25/27/565902527.db2.gz AZJUWUWRWBSFFZ-UHFFFAOYSA-N 1 0 380.315 3.203 20 30 GGEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000178527369 565924925 /nfs/dbraw/zinc/92/49/25/565924925.db2.gz GOPHIUBPLSSBCR-UHFFFAOYSA-N 1 0 381.929 3.145 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000178774925 565936501 /nfs/dbraw/zinc/93/65/01/565936501.db2.gz GGJUIGLMAWZFMZ-CYBMUJFWSA-N 1 0 398.320 3.469 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)c2ccc(Cl)s2)CC1 ZINC000286360592 565955029 /nfs/dbraw/zinc/95/50/29/565955029.db2.gz BZCAFDIAIVSGOU-AWEZNQCLSA-N 1 0 383.945 3.126 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1OCC ZINC000414790691 565961012 /nfs/dbraw/zinc/96/10/12/565961012.db2.gz PSCZVCLKGWSVMI-ZBFHGGJFSA-N 1 0 381.314 3.206 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415122349 565974344 /nfs/dbraw/zinc/97/43/44/565974344.db2.gz IDZYRCOZWCGKGV-UKRRQHHQSA-N 1 0 383.330 3.439 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415122343 565974924 /nfs/dbraw/zinc/97/49/24/565974924.db2.gz IDZYRCOZWCGKGV-DZGCQCFKSA-N 1 0 383.330 3.439 20 30 GGEDRO Cc1ccc(CN2CCN(c3nccnc3C#N)C[C@H]2C)c(Br)c1 ZINC000245688420 566001859 /nfs/dbraw/zinc/00/18/59/566001859.db2.gz AMRIOEKNOHGTSP-CQSZACIVSA-N 1 0 386.297 3.130 20 30 GGEDRO CN(C(=O)Nc1ccc(C#N)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287267931 566007829 /nfs/dbraw/zinc/00/78/29/566007829.db2.gz QOSHEZSOGJCIQS-YIONKMFJSA-N 1 0 377.286 3.410 20 30 GGEDRO N#Cc1ccc(NC(=O)CN(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1Cl ZINC000245831761 566008325 /nfs/dbraw/zinc/00/83/25/566008325.db2.gz GLHJRRCIFFNEQP-HOTGVXAUSA-N 1 0 379.913 3.137 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000287286834 566009246 /nfs/dbraw/zinc/00/92/46/566009246.db2.gz RVTYFCUYRQLSRZ-CZUORRHYSA-N 1 0 377.286 3.269 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC000180077869 566030664 /nfs/dbraw/zinc/03/06/64/566030664.db2.gz XJLYZDIBLOXIAO-UHFFFAOYSA-N 1 0 381.929 3.287 20 30 GGEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000287765477 566038208 /nfs/dbraw/zinc/03/82/08/566038208.db2.gz MMEDVVUXHQHLPV-WMZOPIPTSA-N 1 0 389.297 3.291 20 30 GGEDRO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180524499 566070235 /nfs/dbraw/zinc/07/02/35/566070235.db2.gz WKTMIKWGMQBJNJ-OAHLLOKOSA-N 1 0 376.909 3.293 20 30 GGEDRO COc1cc(CN2CCN(c3nc(Cl)c(C#N)s3)CC2)cc(OC)c1 ZINC000288393301 566071595 /nfs/dbraw/zinc/07/15/95/566071595.db2.gz MMCDSLIKLZISCH-UHFFFAOYSA-N 1 0 378.885 3.008 20 30 GGEDRO C[C@H](C#N)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000416482793 566074014 /nfs/dbraw/zinc/07/40/14/566074014.db2.gz ZVXWEMQIBLGNGL-GJLUPPFNSA-N 1 0 381.929 3.085 20 30 GGEDRO CC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(Br)c1 ZINC000180881882 566096372 /nfs/dbraw/zinc/09/63/72/566096372.db2.gz OMFDROGVWYOKDO-HYEKCJMVSA-N 1 0 378.270 3.016 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2ccc(C#N)cc2Br)C[C@H](C)O1 ZINC000181027816 566106970 /nfs/dbraw/zinc/10/69/70/566106970.db2.gz XVQBCHCDOXDXRT-DAYGRLMNSA-N 1 0 392.341 3.394 20 30 GGEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2ccc(C#N)cc2Br)C[C@@H](C)O1 ZINC000181027852 566107200 /nfs/dbraw/zinc/10/72/00/566107200.db2.gz XVQBCHCDOXDXRT-RKVPGOIHSA-N 1 0 392.341 3.394 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(Br)c1 ZINC000181103482 566115070 /nfs/dbraw/zinc/11/50/70/566115070.db2.gz BSWGEBMTTBJRGY-HNNXBMFYSA-N 1 0 386.297 3.238 20 30 GGEDRO CN(Cc1ccc(C#N)cc1Br)CC(C)(C)C[NH+]1CCOCC1 ZINC000181188390 566122814 /nfs/dbraw/zinc/12/28/14/566122814.db2.gz AYJDCOQESLUHRS-UHFFFAOYSA-N 1 0 380.330 3.111 20 30 GGEDRO C[C@H](NC(=[NH2+])NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1Cl ZINC000262376659 566150819 /nfs/dbraw/zinc/15/08/19/566150819.db2.gz XINFARNDPBJTRW-NSHDSACASA-N 1 0 381.311 3.477 20 30 GGEDRO CC[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262466122 566152947 /nfs/dbraw/zinc/15/29/47/566152947.db2.gz YGIBGKGWWRHYHW-WQAKAFBOSA-N 1 0 376.448 3.031 20 30 GGEDRO C[C@@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCCC1)c1cccs1 ZINC000262690401 566158279 /nfs/dbraw/zinc/15/82/79/566158279.db2.gz AAIMKPPKFWAOKD-CABCVRRESA-N 1 0 383.583 3.112 20 30 GGEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NCc1c(C)nn(C)c1C ZINC000262842413 566163915 /nfs/dbraw/zinc/16/39/15/566163915.db2.gz UWANUBHKGRJUGB-UHFFFAOYSA-N 1 0 376.917 3.165 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cccc(C#N)c1 ZINC000182023017 566177792 /nfs/dbraw/zinc/17/77/92/566177792.db2.gz PEOFBKWTAJGQLH-CZUORRHYSA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1cccc(C#N)c1 ZINC000182022995 566178094 /nfs/dbraw/zinc/17/80/94/566178094.db2.gz PEOFBKWTAJGQLH-XJKSGUPXSA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1cccc(C#N)c1 ZINC000182022957 566178725 /nfs/dbraw/zinc/17/87/25/566178725.db2.gz PEOFBKWTAJGQLH-BBRMVZONSA-N 1 0 375.266 3.411 20 30 GGEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1Cl ZINC000263287769 566180862 /nfs/dbraw/zinc/18/08/62/566180862.db2.gz VJCCCSVFXPLJBM-UHFFFAOYSA-N 1 0 377.897 3.159 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)nc1 ZINC000290628403 566181837 /nfs/dbraw/zinc/18/18/37/566181837.db2.gz IWRRYTPIWSCHBE-CXAGYDPISA-N 1 0 399.292 3.167 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1Br ZINC000367584721 566207708 /nfs/dbraw/zinc/20/77/08/566207708.db2.gz BLKKFUNPNBDJKG-CYBMUJFWSA-N 1 0 377.286 3.270 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cc(Br)ccc2OC)CC1 ZINC000264340877 566212210 /nfs/dbraw/zinc/21/22/10/566212210.db2.gz IKPBLBQOJVYUGD-UHFFFAOYSA-N 1 0 396.329 3.250 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418603789 566217578 /nfs/dbraw/zinc/21/75/78/566217578.db2.gz OFLAJNSDLHOAAG-IUODEOHRSA-N 1 0 384.293 3.426 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000367863512 566220238 /nfs/dbraw/zinc/22/02/38/566220238.db2.gz CYWWLCOJBUYEAC-IBGZPJMESA-N 1 0 382.261 3.417 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(F)c(Br)cc2OCC)CC1 ZINC000291612932 566227791 /nfs/dbraw/zinc/22/77/91/566227791.db2.gz HMNAYAWYGUCWPI-UHFFFAOYSA-N 1 0 383.261 3.271 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018496 566234736 /nfs/dbraw/zinc/23/47/36/566234736.db2.gz PZVXBKNVMHZKBY-HIFRSBDPSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018459 566234751 /nfs/dbraw/zinc/23/47/51/566234751.db2.gz PZVXBKNVMHZKBY-UKRRQHHQSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183016593 566234943 /nfs/dbraw/zinc/23/49/43/566234943.db2.gz GYLSXKGYDIHXNJ-ZIAGYGMSSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183034274 566236036 /nfs/dbraw/zinc/23/60/36/566236036.db2.gz MZFPIQOLYLLCRF-ZIAGYGMSSA-N 1 0 381.929 3.143 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1(C#N)CCC1 ZINC000419644772 566240840 /nfs/dbraw/zinc/24/08/40/566240840.db2.gz MDDNWUWFIAFZHY-UHFFFAOYSA-N 1 0 393.329 3.216 20 30 GGEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N(CC)CCC#N ZINC000481810422 566253761 /nfs/dbraw/zinc/25/37/61/566253761.db2.gz DXGJBSAYAKZOEM-INIZCTEOSA-N 1 0 380.330 3.464 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599362383 566256564 /nfs/dbraw/zinc/25/65/64/566256564.db2.gz KNUVZTMVVYJMCB-UHFFFAOYSA-N 1 0 382.258 3.128 20 30 GGEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599525938 566272402 /nfs/dbraw/zinc/27/24/02/566272402.db2.gz CBZIIAFANAEXCE-BBRMVZONSA-N 1 0 396.354 3.376 20 30 GGEDRO [NH3+]CC[C@H](NC(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)F ZINC000669387117 566298048 /nfs/dbraw/zinc/29/80/48/566298048.db2.gz VPIWXBRKGMZBCE-KDXUFGMBSA-N 1 0 385.299 3.178 20 30 GGEDRO [NH3+]CC[C@H](NC(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)F ZINC000669387116 566298785 /nfs/dbraw/zinc/29/87/85/566298785.db2.gz VPIWXBRKGMZBCE-BHNWBGBOSA-N 1 0 385.299 3.178 20 30 GGEDRO COC(=O)C1CC[NH+](CCCNc2ccc(C#N)cc2Br)CC1 ZINC000556414436 566298844 /nfs/dbraw/zinc/29/88/44/566298844.db2.gz CCPHFKOKHRTEMF-UHFFFAOYSA-N 1 0 380.286 3.008 20 30 GGEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000556545081 566312715 /nfs/dbraw/zinc/31/27/15/566312715.db2.gz FAPDCDDYZJHOOO-LJQANCHMSA-N 1 0 399.292 3.073 20 30 GGEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC000669815054 566328784 /nfs/dbraw/zinc/32/87/84/566328784.db2.gz IXEYBFPKFCZGPR-CQSZACIVSA-N 1 0 390.329 3.424 20 30 GGEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669809627 566328820 /nfs/dbraw/zinc/32/88/20/566328820.db2.gz ZNWLRDIIRMBZCX-LBPRGKRZSA-N 1 0 396.358 3.486 20 30 GGEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625699284 566351669 /nfs/dbraw/zinc/35/16/69/566351669.db2.gz CWINLOHIUPDIGF-HZPDHXFCSA-N 1 0 381.339 3.402 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000557018961 566354668 /nfs/dbraw/zinc/35/46/68/566354668.db2.gz JHNXPMABQYJFBU-OCCSQVGLSA-N 1 0 380.286 3.230 20 30 GGEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600717677 566358544 /nfs/dbraw/zinc/35/85/44/566358544.db2.gz SLHODTFBJSRIBE-KDOFPFPSSA-N 1 0 389.293 3.281 20 30 GGEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600717678 566359429 /nfs/dbraw/zinc/35/94/29/566359429.db2.gz SLHODTFBJSRIBE-KSSFIOAISA-N 1 0 389.293 3.281 20 30 GGEDRO Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2C#N)ccc1Br ZINC000600735461 566360181 /nfs/dbraw/zinc/36/01/81/566360181.db2.gz JMNOXIWQRXFQMP-INIZCTEOSA-N 1 0 375.266 3.159 20 30 GGEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600721362 566360453 /nfs/dbraw/zinc/36/04/53/566360453.db2.gz LMGVXCGWLUQKGA-KBXCAEBGSA-N 1 0 389.293 3.281 20 30 GGEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600721363 566361002 /nfs/dbraw/zinc/36/10/02/566361002.db2.gz LMGVXCGWLUQKGA-KDOFPFPSSA-N 1 0 389.293 3.281 20 30 GGEDRO Cc1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600724246 566361202 /nfs/dbraw/zinc/36/12/02/566361202.db2.gz GIOIPWQKUPKTHJ-QGZVFWFLSA-N 1 0 375.266 3.159 20 30 GGEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCc1cccc(Br)c1 ZINC000600722970 566361403 /nfs/dbraw/zinc/36/14/03/566361403.db2.gz SOEQQKDOKYMHKN-GOSISDBHSA-N 1 0 389.293 3.283 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000576609578 566362717 /nfs/dbraw/zinc/36/27/17/566362717.db2.gz HIFKWRNDLGYOFM-MAUKXSAKSA-N 1 0 378.314 3.058 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cc1F ZINC000421398716 566371396 /nfs/dbraw/zinc/37/13/96/566371396.db2.gz STFDRXSQJAAFGB-OAHLLOKOSA-N 1 0 377.257 3.401 20 30 GGEDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000510395295 566380251 /nfs/dbraw/zinc/38/02/51/566380251.db2.gz MJQJJDPIVHDGIM-IUODEOHRSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000510395294 566380272 /nfs/dbraw/zinc/38/02/72/566380272.db2.gz MJQJJDPIVHDGIM-DOMZBBRYSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000510434453 566382737 /nfs/dbraw/zinc/38/27/37/566382737.db2.gz DLRCKQUDUUPXCV-IUODEOHRSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000510432487 566382766 /nfs/dbraw/zinc/38/27/66/566382766.db2.gz TZKDOIGUYKTHOJ-IUODEOHRSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000510434455 566383579 /nfs/dbraw/zinc/38/35/79/566383579.db2.gz DLRCKQUDUUPXCV-SWLSCSKDSA-N 1 0 381.885 3.212 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)s1 ZINC000447094408 566386169 /nfs/dbraw/zinc/38/61/69/566386169.db2.gz RPPHDEFOINKSQE-HNNXBMFYSA-N 1 0 376.279 3.277 20 30 GGEDRO COCC1(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCC1 ZINC000463166185 566387248 /nfs/dbraw/zinc/38/72/48/566387248.db2.gz YACQTVFDIKLUJM-SFHVURJKSA-N 1 0 392.341 3.448 20 30 GGEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccncc3Br)CC2)c1 ZINC000601129736 566391966 /nfs/dbraw/zinc/39/19/66/566391966.db2.gz ACZSVDREXPLMPL-UHFFFAOYSA-N 1 0 385.309 3.470 20 30 GGEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c2ccc(Br)cc2n1 ZINC000536790016 566401597 /nfs/dbraw/zinc/40/15/97/566401597.db2.gz IKCPRMSYDUEHJD-UHFFFAOYSA-N 1 0 387.281 3.024 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCc1cccc(Br)c1 ZINC000463428644 566410881 /nfs/dbraw/zinc/41/08/81/566410881.db2.gz KOXCWVYZEDIWDN-KSSFIOAISA-N 1 0 380.330 3.366 20 30 GGEDRO N#CCSCCC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510890327 566419464 /nfs/dbraw/zinc/41/94/64/566419464.db2.gz PWIOTGQVDBJJNN-UHFFFAOYSA-N 1 0 383.315 3.388 20 30 GGEDRO C[NH+](C)CCOc1cnccc1CNc1cc(Br)c(C#N)cc1F ZINC000577412860 566432598 /nfs/dbraw/zinc/43/25/98/566432598.db2.gz RMCNKPIWBRNAJA-UHFFFAOYSA-N 1 0 393.260 3.407 20 30 GGEDRO N#Cc1ccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)s1 ZINC000537293989 566436161 /nfs/dbraw/zinc/43/61/61/566436161.db2.gz PDGBHHGXCFNJQC-UHFFFAOYSA-N 1 0 378.295 3.292 20 30 GGEDRO Cc1nn(C)c(C[NH2+]CCSCc2ccccc2C#N)c1Br ZINC000447930663 566446554 /nfs/dbraw/zinc/44/65/54/566446554.db2.gz NACDNWOGUQUJDE-UHFFFAOYSA-N 1 0 379.327 3.386 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000558099012 566449157 /nfs/dbraw/zinc/44/91/57/566449157.db2.gz WITCEDHTEPUWJI-UHFFFAOYSA-N 1 0 392.341 3.398 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1 ZINC000558256376 566461557 /nfs/dbraw/zinc/46/15/57/566461557.db2.gz IFTVSCLRQBGOMM-RHSMWYFYSA-N 1 0 375.519 3.124 20 30 GGEDRO CC[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602444819 566471252 /nfs/dbraw/zinc/47/12/52/566471252.db2.gz QPSANAFXEWMMQU-CYBMUJFWSA-N 1 0 377.897 3.442 20 30 GGEDRO C[C@H](CCC#N)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000602468273 566471720 /nfs/dbraw/zinc/47/17/20/566471720.db2.gz ZXXVVIDKOKYALC-CYBMUJFWSA-N 1 0 375.947 3.038 20 30 GGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000602445658 566472247 /nfs/dbraw/zinc/47/22/47/566472247.db2.gz SCNOQABKZALMCA-UONOGXRCSA-N 1 0 379.302 3.434 20 30 GGEDRO CC[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602445141 566472526 /nfs/dbraw/zinc/47/25/26/566472526.db2.gz SRVYAPVTCPZQOD-CYBMUJFWSA-N 1 0 377.897 3.442 20 30 GGEDRO CCSc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000577895505 566474085 /nfs/dbraw/zinc/47/40/85/566474085.db2.gz MAIOWORWYIBBCX-AWEZNQCLSA-N 1 0 375.519 3.190 20 30 GGEDRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602527932 566476325 /nfs/dbraw/zinc/47/63/25/566476325.db2.gz KFWAVXLTPNWOOL-CQSZACIVSA-N 1 0 394.313 3.385 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000602528853 566476653 /nfs/dbraw/zinc/47/66/53/566476653.db2.gz LUBJOKRRIKVDKU-ZDUSSCGKSA-N 1 0 395.297 3.409 20 30 GGEDRO N#Cc1cccc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000602570870 566478140 /nfs/dbraw/zinc/47/81/40/566478140.db2.gz UUTYBIHRLPFQSG-UHFFFAOYSA-N 1 0 385.309 3.470 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448603998 566481925 /nfs/dbraw/zinc/48/19/25/566481925.db2.gz BPIGVENSBWHNIB-QGZVFWFLSA-N 1 0 384.277 3.325 20 30 GGEDRO CC#CCCCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000464539787 566483333 /nfs/dbraw/zinc/48/33/33/566483333.db2.gz FKPZYYSGPGFAAW-UHFFFAOYSA-N 1 0 378.314 3.333 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000602635435 566484030 /nfs/dbraw/zinc/48/40/30/566484030.db2.gz DRWQPCBAZXCLGI-RDJZCZTQSA-N 1 0 395.341 3.289 20 30 GGEDRO Cc1cc(NC(=O)C[NH2+][C@H](C)CC2(C#N)CCOCC2)ccc1Br ZINC000602696226 566487173 /nfs/dbraw/zinc/48/71/73/566487173.db2.gz WSVJKHHCMDBUHA-CQSZACIVSA-N 1 0 394.313 3.385 20 30 GGEDRO COc1cc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c(Br)cc1O ZINC000602701949 566487912 /nfs/dbraw/zinc/48/79/12/566487912.db2.gz FWNBTRVHMJNWIC-LBPRGKRZSA-N 1 0 383.286 3.352 20 30 GGEDRO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000538200447 566498546 /nfs/dbraw/zinc/49/85/46/566498546.db2.gz KISMWLFJGRNCLN-HNNXBMFYSA-N 1 0 376.909 3.293 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602890761 566499150 /nfs/dbraw/zinc/49/91/50/566499150.db2.gz JBWGWXNEGZDSKM-SJORKVTESA-N 1 0 379.298 3.121 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602890755 566499289 /nfs/dbraw/zinc/49/92/89/566499289.db2.gz JBWGWXNEGZDSKM-DLBZAZTESA-N 1 0 379.298 3.121 20 30 GGEDRO N#Cc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1Br ZINC000448890877 566509262 /nfs/dbraw/zinc/50/92/62/566509262.db2.gz NFUBLAGUWPTSNJ-OAHLLOKOSA-N 1 0 376.298 3.411 20 30 GGEDRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424135364 566514100 /nfs/dbraw/zinc/51/41/00/566514100.db2.gz JIDKLFPDMITXQX-RIEGTJTDSA-N 1 0 382.327 3.369 20 30 GGEDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(C#N)c2Br)C1 ZINC000448943736 566514305 /nfs/dbraw/zinc/51/43/05/566514305.db2.gz AJRNXFPCERKEDH-OAHLLOKOSA-N 1 0 384.277 3.454 20 30 GGEDRO CCOc1ccc(Br)cc1CN(C(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424133798 566514795 /nfs/dbraw/zinc/51/47/95/566514795.db2.gz HCRJKJCSYPWBCL-MRXNPFEDSA-N 1 0 394.313 3.360 20 30 GGEDRO CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000424148209 566516027 /nfs/dbraw/zinc/51/60/27/566516027.db2.gz ZLDCADDGNNLFFV-KBPBESRZSA-N 1 0 382.327 3.466 20 30 GGEDRO N#Cc1cccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1Br ZINC000448974654 566517455 /nfs/dbraw/zinc/51/74/55/566517455.db2.gz LRFDLMWIKYMXAH-UHFFFAOYSA-N 1 0 376.298 3.269 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000424179627 566518341 /nfs/dbraw/zinc/51/83/41/566518341.db2.gz ZDYMULCUCUOZMC-QGZVFWFLSA-N 1 0 383.323 3.095 20 30 GGEDRO C[N@H+](CCOCCC#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000559187851 566532532 /nfs/dbraw/zinc/53/25/32/566532532.db2.gz POCIJIACYZOPSJ-INIZCTEOSA-N 1 0 397.313 3.369 20 30 GGEDRO CC(C)[NH+]1CCC(N(C)C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449269490 566544466 /nfs/dbraw/zinc/54/44/66/566544466.db2.gz NKHLUCJGBLBYGI-UHFFFAOYSA-N 1 0 394.313 3.031 20 30 GGEDRO CC1(C#N)CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000449323773 566548009 /nfs/dbraw/zinc/54/80/09/566548009.db2.gz WZISCPGYRHGLRS-UHFFFAOYSA-N 1 0 390.336 3.334 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc1OC ZINC000628367944 566551951 /nfs/dbraw/zinc/55/19/51/566551951.db2.gz BFZCZOJSXLKPDJ-AWEZNQCLSA-N 1 0 397.313 3.075 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1OC ZINC000628367945 566552975 /nfs/dbraw/zinc/55/29/75/566552975.db2.gz BFZCZOJSXLKPDJ-CQSZACIVSA-N 1 0 397.313 3.075 20 30 GGEDRO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000578863384 566560617 /nfs/dbraw/zinc/56/06/17/566560617.db2.gz MJLVGUDNOZUKKC-UHFFFAOYSA-N 1 0 384.343 3.485 20 30 GGEDRO CC(C)(CCC#N)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000512896305 566567988 /nfs/dbraw/zinc/56/79/88/566567988.db2.gz UNAOWOWUTCICIV-UHFFFAOYSA-N 1 0 378.325 3.191 20 30 GGEDRO CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000559792532 566570879 /nfs/dbraw/zinc/57/08/79/566570879.db2.gz CJUQHGIYNQOYBL-CYBMUJFWSA-N 1 0 377.897 3.442 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N(CC)C2)cc1OCC ZINC000449516529 566571660 /nfs/dbraw/zinc/57/16/60/566571660.db2.gz GSFLWXREUGYNRM-CQSZACIVSA-N 1 0 397.313 3.123 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CC(=O)N(CC)C2)cc1OCC ZINC000449516528 566571721 /nfs/dbraw/zinc/57/17/21/566571721.db2.gz GSFLWXREUGYNRM-AWEZNQCLSA-N 1 0 397.313 3.123 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)s1 ZINC000449596535 566579050 /nfs/dbraw/zinc/57/90/50/566579050.db2.gz BTBVWGLZAOICAL-NSHDSACASA-N 1 0 383.286 3.462 20 30 GGEDRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1Br ZINC000449596863 566579243 /nfs/dbraw/zinc/57/92/43/566579243.db2.gz CLPHIHFAPHENPU-PMPSAXMXSA-N 1 0 381.314 3.281 20 30 GGEDRO N#Cc1cccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449598975 566580734 /nfs/dbraw/zinc/58/07/34/566580734.db2.gz JRSBGTLRKKBBIU-OAHLLOKOSA-N 1 0 377.257 3.401 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)cc1 ZINC000449603223 566582170 /nfs/dbraw/zinc/58/21/70/566582170.db2.gz VMIWNQSUSMGDCD-HNNXBMFYSA-N 1 0 377.257 3.401 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)CC(=O)NC)cc1OCC ZINC000449604479 566583987 /nfs/dbraw/zinc/58/39/87/566583987.db2.gz TXWDOZXXIHLBIO-GFCCVEGCSA-N 1 0 385.302 3.027 20 30 GGEDRO C=CC[C@H](C)[NH2+]Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000604892955 566584772 /nfs/dbraw/zinc/58/47/72/566584772.db2.gz QIVXWWTUQUNGSN-ZDUSSCGKSA-N 1 0 399.329 3.369 20 30 GGEDRO COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1ccc(C#N)s1 ZINC000449685488 566592632 /nfs/dbraw/zinc/59/26/32/566592632.db2.gz UVSVESPPASUGLW-GFCCVEGCSA-N 1 0 395.322 3.332 20 30 GGEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449696631 566594304 /nfs/dbraw/zinc/59/43/04/566594304.db2.gz INBZZSLJOTVFPG-NSHDSACASA-N 1 0 380.229 3.476 20 30 GGEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449696630 566594423 /nfs/dbraw/zinc/59/44/23/566594423.db2.gz INBZZSLJOTVFPG-LLVKDONJSA-N 1 0 380.229 3.476 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CC)C(=O)NC)cc1OCC ZINC000449776111 566600679 /nfs/dbraw/zinc/60/06/79/566600679.db2.gz OFMJSKKXQCFVNG-CQSZACIVSA-N 1 0 385.302 3.027 20 30 GGEDRO CC[NH+](CC)CCC[C@H](C)NC(=O)COc1cccc(Br)c1C#N ZINC000449788980 566602803 /nfs/dbraw/zinc/60/28/03/566602803.db2.gz DPGKCSCTKKUXAI-AWEZNQCLSA-N 1 0 396.329 3.326 20 30 GGEDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)COc1cccc(Br)c1C#N ZINC000449788984 566602852 /nfs/dbraw/zinc/60/28/52/566602852.db2.gz DPGKCSCTKKUXAI-CQSZACIVSA-N 1 0 396.329 3.326 20 30 GGEDRO Cc1ccc(Br)cc1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000579584568 566620260 /nfs/dbraw/zinc/62/02/60/566620260.db2.gz SIPNBZIYVCAHID-QGZVFWFLSA-N 1 0 375.266 3.159 20 30 GGEDRO Cc1ccc(Br)cc1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000579584567 566620381 /nfs/dbraw/zinc/62/03/81/566620381.db2.gz SIPNBZIYVCAHID-KRWDZBQOSA-N 1 0 375.266 3.159 20 30 GGEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)C[C@H]1C ZINC000449971974 566620851 /nfs/dbraw/zinc/62/08/51/566620851.db2.gz LZOOUDWKGMLJGL-KGLIPLIRSA-N 1 0 394.313 3.031 20 30 GGEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)C[C@@H]1C ZINC000449971966 566620977 /nfs/dbraw/zinc/62/09/77/566620977.db2.gz LZOOUDWKGMLJGL-KBPBESRZSA-N 1 0 394.313 3.031 20 30 GGEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000450017588 566626287 /nfs/dbraw/zinc/62/62/87/566626287.db2.gz OOHHVGSCVHERIB-CQSZACIVSA-N 1 0 376.298 3.125 20 30 GGEDRO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Br)cc1 ZINC000514095265 566641040 /nfs/dbraw/zinc/64/10/40/566641040.db2.gz QFPZDTXJHADRJL-GOSISDBHSA-N 1 0 378.314 3.468 20 30 GGEDRO C=CCC[N@@H+](C)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000467367066 566641836 /nfs/dbraw/zinc/64/18/36/566641836.db2.gz CAVLRAWBNKJSJD-UHFFFAOYSA-N 1 0 399.329 3.323 20 30 GGEDRO N#Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000450182146 566642304 /nfs/dbraw/zinc/64/23/04/566642304.db2.gz ABBNWFQLRLFJDQ-RHSMWYFYSA-N 1 0 388.309 3.410 20 30 GGEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000540326817 566645646 /nfs/dbraw/zinc/64/56/46/566645646.db2.gz QRWMVMDKYNAZQO-SNVBAGLBSA-N 1 0 393.119 3.494 20 30 GGEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000540397463 566648990 /nfs/dbraw/zinc/64/89/90/566648990.db2.gz IZXGGRSEHDTVLI-IUODEOHRSA-N 1 0 387.261 3.279 20 30 GGEDRO CC[NH+](CC)CCOC1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450366272 566662543 /nfs/dbraw/zinc/66/25/43/566662543.db2.gz TWHHOWSTKVYMPU-UHFFFAOYSA-N 1 0 381.318 3.043 20 30 GGEDRO CC[NH+]1CCN([C@H]2CCN(c3c(Br)cc(Cl)cc3C#N)C2)CC1 ZINC000561209222 566686070 /nfs/dbraw/zinc/68/60/70/566686070.db2.gz SYDXVCHIMCGBQN-HNNXBMFYSA-N 1 0 397.748 3.190 20 30 GGEDRO CC[NH+]1CCN([C@@H]2CCN(c3c(Br)cc(Cl)cc3C#N)C2)CC1 ZINC000561209223 566686790 /nfs/dbraw/zinc/68/67/90/566686790.db2.gz SYDXVCHIMCGBQN-OAHLLOKOSA-N 1 0 397.748 3.190 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000450652020 566694513 /nfs/dbraw/zinc/69/45/13/566694513.db2.gz FHPXXOWRLRLCPE-CRAIPNDOSA-N 1 0 378.314 3.058 20 30 GGEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000450652027 566694745 /nfs/dbraw/zinc/69/47/45/566694745.db2.gz FHPXXOWRLRLCPE-YJBOKZPZSA-N 1 0 378.314 3.058 20 30 GGEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000515166596 566696013 /nfs/dbraw/zinc/69/60/13/566696013.db2.gz WKLBYUKGCPANOO-GFCCVEGCSA-N 1 0 398.315 3.255 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000487986848 566701209 /nfs/dbraw/zinc/70/12/09/566701209.db2.gz VSNDUVROAGNFNI-UHFFFAOYSA-N 1 0 377.286 3.317 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCc2ccc(Cl)cc2Cl)nc1 ZINC000580543325 566702336 /nfs/dbraw/zinc/70/23/36/566702336.db2.gz AXAAECVBEWFJGX-UHFFFAOYSA-N 1 0 398.315 3.256 20 30 GGEDRO Cc1cc(=NS(=O)(=O)c2ccc(CC#N)cc2Cl)c2c([nH]1)CCCC2 ZINC000580820893 566726314 /nfs/dbraw/zinc/72/63/14/566726314.db2.gz IUIMTMPSKNWOEL-UHFFFAOYSA-N 1 0 375.881 3.211 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)cc1Br ZINC000468818835 566734884 /nfs/dbraw/zinc/73/48/84/566734884.db2.gz CKJLXNFTDVNUIU-VXGBXAGGSA-N 1 0 380.286 3.059 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1sccc1Cl ZINC000451058436 566745669 /nfs/dbraw/zinc/74/56/69/566745669.db2.gz VOTACNNXXJZUBM-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO Cc1nc(-c2cccs2)c(CC(=O)N(CCC#N)CCC[NH+](C)C)s1 ZINC000609045968 566747769 /nfs/dbraw/zinc/74/77/69/566747769.db2.gz OBTVIAJMCJSMIQ-UHFFFAOYSA-N 1 0 376.551 3.417 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427124189 566747929 /nfs/dbraw/zinc/74/79/29/566747929.db2.gz OVICDFJVMADORU-GDBMZVCRSA-N 1 0 381.314 3.206 20 30 GGEDRO CCCOc1c(Br)cc(C[NH2+]C2CCN(CC#N)CC2)cc1OC ZINC000609334698 566759384 /nfs/dbraw/zinc/75/93/84/566759384.db2.gz BMSJEZFPTQKLQQ-UHFFFAOYSA-N 1 0 396.329 3.324 20 30 GGEDRO N#Cc1ccc(OCC[NH2+][C@@H](CCO)c2ccccc2Br)cc1 ZINC000541949751 566760593 /nfs/dbraw/zinc/76/05/93/566760593.db2.gz XDBWHNOJRVQHMM-SFHVURJKSA-N 1 0 375.266 3.413 20 30 GGEDRO N#Cc1ccc(OCC[NH2+][C@H](CCO)c2ccccc2Br)cc1 ZINC000541949750 566761355 /nfs/dbraw/zinc/76/13/55/566761355.db2.gz XDBWHNOJRVQHMM-GOSISDBHSA-N 1 0 375.266 3.413 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000630941164 566766186 /nfs/dbraw/zinc/76/61/86/566766186.db2.gz AQGFVALLUWMQHD-UHFFFAOYSA-N 1 0 389.297 3.163 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCc2c(Cl)cccc2Cl)cc1 ZINC000581345153 566770277 /nfs/dbraw/zinc/77/02/77/566770277.db2.gz GVHAPWQYDBMZEF-UHFFFAOYSA-N 1 0 383.300 3.471 20 30 GGEDRO C=CCCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000489285546 566778775 /nfs/dbraw/zinc/77/87/75/566778775.db2.gz DBIQRYXTMKKKNU-UHFFFAOYSA-N 1 0 378.460 3.365 20 30 GGEDRO N#CCc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000451220567 566779003 /nfs/dbraw/zinc/77/90/03/566779003.db2.gz RYSOEFBADSNNPC-INIZCTEOSA-N 1 0 381.929 3.045 20 30 GGEDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451238050 566782292 /nfs/dbraw/zinc/78/22/92/566782292.db2.gz CFMUTISJHFEELX-UHFFFAOYSA-N 1 0 383.945 3.149 20 30 GGEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451306961 566792565 /nfs/dbraw/zinc/79/25/65/566792565.db2.gz TWPYWGJPUOAZGX-ZNMIVQPWSA-N 1 0 383.945 3.051 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542324435 566795246 /nfs/dbraw/zinc/79/52/46/566795246.db2.gz CLPBVHYYBKAOQW-UHFFFAOYSA-N 1 0 384.889 3.034 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(Cl)s1 ZINC000542556661 566809774 /nfs/dbraw/zinc/80/97/74/566809774.db2.gz ADUGJFZYTACZTC-GJZGRUSLSA-N 1 0 382.961 3.135 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(Cl)s1 ZINC000542556648 566810213 /nfs/dbraw/zinc/81/02/13/566810213.db2.gz ADUGJFZYTACZTC-CABCVRRESA-N 1 0 382.961 3.135 20 30 GGEDRO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CC(=O)NCC#N ZINC000542575820 566812024 /nfs/dbraw/zinc/81/20/24/566812024.db2.gz SDJAOPVVSWDSMH-SNVBAGLBSA-N 1 0 393.310 3.171 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2Br)cc1 ZINC000581938895 566816537 /nfs/dbraw/zinc/81/65/37/566816537.db2.gz ZTRQCRVEYAOPBE-INIZCTEOSA-N 1 0 375.266 3.045 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)CCSc2ccccc2Br)CC1 ZINC000517343779 566821032 /nfs/dbraw/zinc/82/10/32/566821032.db2.gz WNSFHBFFUOQRHL-UHFFFAOYSA-N 1 0 382.327 3.035 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469879297 566823257 /nfs/dbraw/zinc/82/32/57/566823257.db2.gz FMQUTOGIFQPLNO-LZWOXQAQSA-N 1 0 381.314 3.192 20 30 GGEDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451529722 566833969 /nfs/dbraw/zinc/83/39/69/566833969.db2.gz NUOBJORNGXSRRF-UHFFFAOYSA-N 1 0 383.945 3.293 20 30 GGEDRO C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000562997817 566844345 /nfs/dbraw/zinc/84/43/45/566844345.db2.gz XIWFJPFLODHVGH-RHSMWYFYSA-N 1 0 389.293 3.281 20 30 GGEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451648704 566856419 /nfs/dbraw/zinc/85/64/19/566856419.db2.gz GGERPKMCMDKZHN-INIZCTEOSA-N 1 0 383.945 3.195 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2I)CC1 ZINC000518006648 566859080 /nfs/dbraw/zinc/85/90/80/566859080.db2.gz HNVNRRKWBIEGFA-UHFFFAOYSA-N 1 0 399.276 3.453 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cc(OC)ccc2Br)CC1 ZINC000428590305 566860281 /nfs/dbraw/zinc/86/02/81/566860281.db2.gz OKFQWAWUWYPDQF-UHFFFAOYSA-N 1 0 396.329 3.250 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)CC(F)F)cc1OC ZINC000428645043 566865063 /nfs/dbraw/zinc/86/50/63/566865063.db2.gz BCFFMZPZSLEMKK-NSHDSACASA-N 1 0 380.229 3.128 20 30 GGEDRO CC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(I)cc1 ZINC000610813384 566867603 /nfs/dbraw/zinc/86/76/03/566867603.db2.gz FHMQMVLFZINDEX-MRXNPFEDSA-N 1 0 383.277 3.320 20 30 GGEDRO N#Cc1cnn2cc(C[NH2+]CC3(c4ccccc4Br)CC3)cnc12 ZINC000518187972 566869776 /nfs/dbraw/zinc/86/97/76/566869776.db2.gz RUSFWGZFJDDRNX-UHFFFAOYSA-N 1 0 382.265 3.185 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1OC ZINC000543412864 566878464 /nfs/dbraw/zinc/87/84/64/566878464.db2.gz RRGQOPVUPZZLJD-LZWOXQAQSA-N 1 0 382.298 3.225 20 30 GGEDRO C=CCSCC[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000543430052 566880582 /nfs/dbraw/zinc/88/05/82/566880582.db2.gz ZBOWBHHBWTZUBJ-GOSISDBHSA-N 1 0 381.973 3.087 20 30 GGEDRO N#Cc1cc(Cl)c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000611096074 566889362 /nfs/dbraw/zinc/88/93/62/566889362.db2.gz JPLYPOPLESUWGR-UHFFFAOYSA-N 1 0 382.291 3.049 20 30 GGEDRO C[NH+](C)CCCOC1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611095133 566889836 /nfs/dbraw/zinc/88/98/36/566889836.db2.gz WDTACICDRMFUJW-UHFFFAOYSA-N 1 0 384.307 3.438 20 30 GGEDRO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(Br)c1 ZINC000518598725 566893112 /nfs/dbraw/zinc/89/31/12/566893112.db2.gz TZOCAKGLSPRZMY-GOSISDBHSA-N 1 0 378.314 3.468 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000518686590 566899234 /nfs/dbraw/zinc/89/92/34/566899234.db2.gz HXARYRRVQOXOKT-UHFFFAOYSA-N 1 0 376.671 3.130 20 30 GGEDRO N#Cc1ccccc1OCC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429028751 566903429 /nfs/dbraw/zinc/90/34/29/566903429.db2.gz CXGLAWKOSAELJA-INIZCTEOSA-N 1 0 379.229 3.162 20 30 GGEDRO C=CCSCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000543754866 566907806 /nfs/dbraw/zinc/90/78/06/566907806.db2.gz XHIXDEPAQQOFEO-OAHLLOKOSA-N 1 0 380.535 3.328 20 30 GGEDRO Cc1cc(CC(C)(C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)ccc1Br ZINC000429233036 566915083 /nfs/dbraw/zinc/91/50/83/566915083.db2.gz CTAZQCGZXMAXFR-IBGZPJMESA-N 1 0 392.341 3.477 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429245274 566916011 /nfs/dbraw/zinc/91/60/11/566916011.db2.gz BNRWSUFXLYDACG-UHFFFAOYSA-N 1 0 380.330 3.430 20 30 GGEDRO Cc1cc(CC(C)(C)[NH2+]CCC(=O)N(C)CCC#N)ccc1Br ZINC000429247328 566916119 /nfs/dbraw/zinc/91/61/19/566916119.db2.gz VUKJHECCNQREHW-UHFFFAOYSA-N 1 0 380.330 3.430 20 30 GGEDRO N#CCN1CCC([NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000611519315 566923649 /nfs/dbraw/zinc/92/36/49/566923649.db2.gz SPEKWYWWNCXSPI-MSOLQXFVSA-N 1 0 378.314 3.247 20 30 GGEDRO N#CCN1CCC([NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000611519318 566923683 /nfs/dbraw/zinc/92/36/83/566923683.db2.gz SPEKWYWWNCXSPI-ZWKOTPCHSA-N 1 0 378.314 3.247 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000583143222 566925627 /nfs/dbraw/zinc/92/56/27/566925627.db2.gz BQKQMUDRMSQQEN-HUUCEWRRSA-N 1 0 381.314 3.064 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429360954 566927159 /nfs/dbraw/zinc/92/71/59/566927159.db2.gz CDGJFJKAKLSKNW-NHYWBVRUSA-N 1 0 394.313 3.062 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429360952 566927344 /nfs/dbraw/zinc/92/73/44/566927344.db2.gz CDGJFJKAKLSKNW-IAQYHMDHSA-N 1 0 394.313 3.062 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429360956 566927439 /nfs/dbraw/zinc/92/74/39/566927439.db2.gz CDGJFJKAKLSKNW-XHDPSFHLSA-N 1 0 394.313 3.062 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429364211 566927535 /nfs/dbraw/zinc/92/75/35/566927535.db2.gz FUYZLWZBZNOVET-MJGOQNOKSA-N 1 0 390.325 3.471 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429378467 566927648 /nfs/dbraw/zinc/92/76/48/566927648.db2.gz HPJYIUCJRJALMW-KRWDZBQOSA-N 1 0 378.314 3.424 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429371450 566927785 /nfs/dbraw/zinc/92/77/85/566927785.db2.gz YWVGZBJTSVXNEV-QGZVFWFLSA-N 1 0 378.314 3.424 20 30 GGEDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(Br)cc2C#N)C1 ZINC000563948737 566931260 /nfs/dbraw/zinc/93/12/60/566931260.db2.gz SZHKUNKTGSJGKT-GOSISDBHSA-N 1 0 380.330 3.253 20 30 GGEDRO CCC[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@@H+]1CCOC ZINC000492720237 566937538 /nfs/dbraw/zinc/93/75/38/566937538.db2.gz HMSPOTQOJPDNQI-QGZVFWFLSA-N 1 0 380.330 3.253 20 30 GGEDRO CS[C@@H]1CN(Cc2cc(C#N)ccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000492821751 566939682 /nfs/dbraw/zinc/93/96/82/566939682.db2.gz ZXFZSHVFXLUHNY-IAGOWNOFSA-N 1 0 380.355 3.332 20 30 GGEDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000492794883 566939772 /nfs/dbraw/zinc/93/97/72/566939772.db2.gz XTJKJNVUFNSBMK-KRWDZBQOSA-N 1 0 380.330 3.253 20 30 GGEDRO CS[C@H]1CN(Cc2cc(C#N)ccc2Br)C[C@H]1[NH+]1CCCC1 ZINC000492821753 566939819 /nfs/dbraw/zinc/93/98/19/566939819.db2.gz ZXFZSHVFXLUHNY-SJORKVTESA-N 1 0 380.355 3.332 20 30 GGEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129735 566941756 /nfs/dbraw/zinc/94/17/56/566941756.db2.gz XWGRYBQHYXOKPL-ZENOOKHLSA-N 1 0 376.298 3.123 20 30 GGEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129733 566941847 /nfs/dbraw/zinc/94/18/47/566941847.db2.gz XWGRYBQHYXOKPL-WOSRLPQWSA-N 1 0 376.298 3.123 20 30 GGEDRO C=CCN1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3Cl)CCOCC2)C1=O ZINC000493736704 566955322 /nfs/dbraw/zinc/95/53/22/566955322.db2.gz PEBODPZMNCLDIH-QGZVFWFLSA-N 1 0 383.319 3.418 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633407491 566957300 /nfs/dbraw/zinc/95/73/00/566957300.db2.gz JLNLQAKYPNDZSB-UHFFFAOYSA-N 1 0 393.285 3.024 20 30 GGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000519831026 566972017 /nfs/dbraw/zinc/97/20/17/566972017.db2.gz YOHIAMKVJMKDFX-UONOGXRCSA-N 1 0 389.359 3.226 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3ccc(Cl)cc3)CCC2)nc1 ZINC000583835823 566987353 /nfs/dbraw/zinc/98/73/53/566987353.db2.gz WMEVCWILHHFRIM-UHFFFAOYSA-N 1 0 375.881 3.049 20 30 GGEDRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@](C)(C#N)C3)nc12 ZINC000612773291 566997084 /nfs/dbraw/zinc/99/70/84/566997084.db2.gz BXPIUPGYDPIYSQ-QGZVFWFLSA-N 1 0 390.285 3.241 20 30 GGEDRO CCOc1cc(Br)c(NC(=O)[C@H]([NH3+])CCCC#N)cc1OCC ZINC000520566320 567011840 /nfs/dbraw/zinc/01/18/40/567011840.db2.gz QHPRCSULXKLPDC-GFCCVEGCSA-N 1 0 384.274 3.206 20 30 GGEDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000584405838 567040177 /nfs/dbraw/zinc/04/01/77/567040177.db2.gz DWBDBGGDSXRPOS-AWEZNQCLSA-N 1 0 378.881 3.042 20 30 GGEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000565392264 567064102 /nfs/dbraw/zinc/06/41/02/567064102.db2.gz DXZBBAROXSQPKT-SUMWQHHRSA-N 1 0 377.286 3.101 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000565392261 567064186 /nfs/dbraw/zinc/06/41/86/567064186.db2.gz DXZBBAROXSQPKT-DYVFJYSZSA-N 1 0 377.286 3.101 20 30 GGEDRO N#Cc1cc(F)c(NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000584790898 567070146 /nfs/dbraw/zinc/07/01/46/567070146.db2.gz XGNSPOGZFUMUER-GFCCVEGCSA-N 1 0 382.277 3.373 20 30 GGEDRO C[NH+](C)CCCOC1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000565511781 567074291 /nfs/dbraw/zinc/07/42/91/567074291.db2.gz WRQNKLXAJLKKQY-UHFFFAOYSA-N 1 0 384.293 3.397 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2SC)CC1 ZINC000657627668 567076728 /nfs/dbraw/zinc/07/67/28/567076728.db2.gz RTYDLCUPNHNMFG-UHFFFAOYSA-N 1 0 381.929 3.157 20 30 GGEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000473461615 567081499 /nfs/dbraw/zinc/08/14/99/567081499.db2.gz MUVAFGGKORBDHZ-KSSFIOAISA-N 1 0 388.309 3.408 20 30 GGEDRO CC(C)N(C)C(=O)C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000566001891 567117590 /nfs/dbraw/zinc/11/75/90/567117590.db2.gz WJNIOPDHOGJZSX-UHFFFAOYSA-N 1 0 378.314 3.400 20 30 GGEDRO C=CCC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccco1 ZINC000658092610 567121821 /nfs/dbraw/zinc/12/18/21/567121821.db2.gz OMQGHDQTKYSRLQ-CQSZACIVSA-N 1 0 378.270 3.464 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000566077046 567124528 /nfs/dbraw/zinc/12/45/28/567124528.db2.gz IOUOAXSOLILVSY-ROUUACIJSA-N 1 0 378.314 3.054 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccsc2Br)cc1 ZINC000566128574 567128470 /nfs/dbraw/zinc/12/84/70/567128470.db2.gz FJBDEEMIOJPMLK-AWEZNQCLSA-N 1 0 381.295 3.106 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000474326174 567159124 /nfs/dbraw/zinc/15/91/24/567159124.db2.gz AKQNGHYUTAQIGS-MRXNPFEDSA-N 1 0 386.323 3.367 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1Cl ZINC000589344188 567176415 /nfs/dbraw/zinc/17/64/15/567176415.db2.gz HSIAPPYSPFIJAI-SFHVURJKSA-N 1 0 375.881 3.026 20 30 GGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)CC2 ZINC000589341481 567177225 /nfs/dbraw/zinc/17/72/25/567177225.db2.gz KOQVTTNXBAYYEI-YJBOKZPZSA-N 1 0 387.277 3.338 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000474576355 567180204 /nfs/dbraw/zinc/18/02/04/567180204.db2.gz LWTYNGASYGQOET-SCLBCKFNSA-N 1 0 377.897 3.181 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000454535247 567180873 /nfs/dbraw/zinc/18/08/73/567180873.db2.gz FSIUNWOONCTFTF-ARJAWSKDSA-N 1 0 378.314 3.412 20 30 GGEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCC2CCOCC2)CC1 ZINC000432771908 567188211 /nfs/dbraw/zinc/18/82/11/567188211.db2.gz NNXZSUGWWDVDBX-IBGZPJMESA-N 1 0 392.341 3.448 20 30 GGEDRO N#CCN1CCC([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000615649525 567195659 /nfs/dbraw/zinc/19/56/59/567195659.db2.gz XXYDLDSSKPVSQC-IBGZPJMESA-N 1 0 392.341 3.494 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000590193822 567213626 /nfs/dbraw/zinc/21/36/26/567213626.db2.gz UECAXUQEPFMJRK-GFCCVEGCSA-N 1 0 390.256 3.427 20 30 GGEDRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000567054118 567214052 /nfs/dbraw/zinc/21/40/52/567214052.db2.gz UZXFHJYKOQOZMP-MRXNPFEDSA-N 1 0 376.298 3.225 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433303028 567239653 /nfs/dbraw/zinc/23/96/53/567239653.db2.gz ZLKSDZVGWWORNN-LPHOPBHVSA-N 1 0 392.341 3.368 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433295186 567240252 /nfs/dbraw/zinc/24/02/52/567240252.db2.gz CJYGKIBWFYVIKH-KXBFYZLASA-N 1 0 390.325 3.122 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433295183 567240708 /nfs/dbraw/zinc/24/07/08/567240708.db2.gz CJYGKIBWFYVIKH-BEFAXECRSA-N 1 0 390.325 3.122 20 30 GGEDRO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294209 567240929 /nfs/dbraw/zinc/24/09/29/567240929.db2.gz KHYGHNCVQUNVMQ-LPHOPBHVSA-N 1 0 398.304 3.412 20 30 GGEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433303734 567241479 /nfs/dbraw/zinc/24/14/79/567241479.db2.gz LZCLKHJPEXLBST-ZBFHGGJFSA-N 1 0 378.314 3.074 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(O)c3Br)CC2)nc1 ZINC000590956135 567258595 /nfs/dbraw/zinc/25/85/95/567258595.db2.gz ZMYATQUWLPQWNS-UHFFFAOYSA-N 1 0 387.281 3.180 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000475643021 567264070 /nfs/dbraw/zinc/26/40/70/567264070.db2.gz VZPBROPWSGEBMR-UHFFFAOYSA-N 1 0 391.313 3.176 20 30 GGEDRO C=CCN(CCC1CC[NH2+]CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000567673992 567265892 /nfs/dbraw/zinc/26/58/92/567265892.db2.gz XDGIBBNXAZTQOA-UHFFFAOYSA-N 1 0 376.444 3.272 20 30 GGEDRO C=CCN1CC[C@@H]([N@@H+](Cc2cccc(Br)c2)C2CCOCC2)C1=O ZINC000499722139 567267866 /nfs/dbraw/zinc/26/78/66/567267866.db2.gz YBIYPUBHTSOLAX-GOSISDBHSA-N 1 0 393.325 3.217 20 30 GGEDRO CCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000567707762 567270569 /nfs/dbraw/zinc/27/05/69/567270569.db2.gz DKAREWHLYJETLK-UHFFFAOYSA-N 1 0 378.881 3.174 20 30 GGEDRO C=CCN1CC[C@@H]([N@@H+](C)CCCc2ccc(Br)cc2OC)C1=O ZINC000499936559 567285413 /nfs/dbraw/zinc/28/54/13/567285413.db2.gz AMVQTUNXWDOKCI-MRXNPFEDSA-N 1 0 381.314 3.109 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)CCC1 ZINC000526136154 567295156 /nfs/dbraw/zinc/29/51/56/567295156.db2.gz RUAQVGFPRQIBLO-KRWDZBQOSA-N 1 0 376.298 3.442 20 30 GGEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000591763924 567295617 /nfs/dbraw/zinc/29/56/17/567295617.db2.gz REWRNKPIUVBCSJ-APWZRJJASA-N 1 0 387.277 3.338 20 30 GGEDRO CC(C)(CC#N)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000591770365 567296591 /nfs/dbraw/zinc/29/65/91/567296591.db2.gz YUFUKLFAALQFHY-GFCCVEGCSA-N 1 0 375.694 3.372 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000591770945 567296761 /nfs/dbraw/zinc/29/67/61/567296761.db2.gz PZIGIHXHQWOQOH-GFCCVEGCSA-N 1 0 385.258 3.051 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000526982717 567303808 /nfs/dbraw/zinc/30/38/08/567303808.db2.gz DSUKRLJCVNXEGV-UHFFFAOYSA-N 1 0 396.304 3.306 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c(Br)c1 ZINC000592156228 567318568 /nfs/dbraw/zinc/31/85/68/567318568.db2.gz VDZYZUKDGZQFHI-SFHVURJKSA-N 1 0 398.304 3.459 20 30 GGEDRO Cn1cc(C[NH2+]Cc2ccc(I)c(Cl)c2)cc1C#N ZINC000500442908 567322702 /nfs/dbraw/zinc/32/27/02/567322702.db2.gz WRJDRFFGRNWHLQ-UHFFFAOYSA-N 1 0 385.636 3.445 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000568419081 567327825 /nfs/dbraw/zinc/32/78/25/567327825.db2.gz GAJJUELREPIAEP-UHFFFAOYSA-N 1 0 380.330 3.285 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(Br)s2)CC1 ZINC000592294286 567329957 /nfs/dbraw/zinc/32/99/57/567329957.db2.gz XYENPGGXILRVJT-UHFFFAOYSA-N 1 0 386.359 3.393 20 30 GGEDRO CCOc1cc(C#N)cc(Br)c1OCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356733 567332795 /nfs/dbraw/zinc/33/27/95/567332795.db2.gz GXWRPDMNRNXLHF-LBPRGKRZSA-N 1 0 393.241 3.106 20 30 GGEDRO N#Cc1cnn2cc(C[N@H+]3CC[C@H](Cc4ccc(Br)cc4)C3)cnc12 ZINC000592514489 567343141 /nfs/dbraw/zinc/34/31/41/567343141.db2.gz DJKCXYWXJNNVIA-OAHLLOKOSA-N 1 0 396.292 3.428 20 30 GGEDRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522565 567344499 /nfs/dbraw/zinc/34/44/99/567344499.db2.gz FKVLUABBSYIQQU-SFHVURJKSA-N 1 0 389.297 3.102 20 30 GGEDRO C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCC#N ZINC000456370655 567367725 /nfs/dbraw/zinc/36/77/25/567367725.db2.gz MKVAUDUPCHNDMF-ZDUSSCGKSA-N 1 0 379.302 3.222 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(Cl)c1 ZINC000435643148 567381194 /nfs/dbraw/zinc/38/11/94/567381194.db2.gz ZWQPEOVFHZKSRI-MRXNPFEDSA-N 1 0 381.929 3.287 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(Cl)c1 ZINC000435643147 567381743 /nfs/dbraw/zinc/38/17/43/567381743.db2.gz ZWQPEOVFHZKSRI-INIZCTEOSA-N 1 0 381.929 3.287 20 30 GGEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000435747397 567387209 /nfs/dbraw/zinc/38/72/09/567387209.db2.gz HQZZPBJQIFBALR-VQIMIIECSA-N 1 0 395.341 3.357 20 30 GGEDRO N#Cc1ccc(CNC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000477565734 567402958 /nfs/dbraw/zinc/40/29/58/567402958.db2.gz SLXQXJKLSWYPRZ-UHFFFAOYSA-N 1 0 384.277 3.216 20 30 GGEDRO Cc1oc(C#N)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000436132682 567408037 /nfs/dbraw/zinc/40/80/37/567408037.db2.gz LVAGMQQHXJXXON-UHFFFAOYSA-N 1 0 390.281 3.426 20 30 GGEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3occc3Br)CC2)c1 ZINC000593353266 567408625 /nfs/dbraw/zinc/40/86/25/567408625.db2.gz ISPQINXSYZMDKJ-UHFFFAOYSA-N 1 0 388.265 3.308 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C(=O)NCC)C(C)C)cc1OC ZINC000550239352 567435102 /nfs/dbraw/zinc/43/51/02/567435102.db2.gz BPJPQGDKIXPYTR-INIZCTEOSA-N 1 0 399.329 3.273 20 30 GGEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccc(Br)cn3)CC2)c1 ZINC000593693394 567435723 /nfs/dbraw/zinc/43/57/23/567435723.db2.gz XICWXRGATSBZDX-UHFFFAOYSA-N 1 0 385.309 3.470 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000550348721 567442867 /nfs/dbraw/zinc/44/28/67/567442867.db2.gz NJGWTIKHMOTAGQ-UHFFFAOYSA-N 1 0 385.961 3.151 20 30 GGEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCCC1 ZINC000569920321 567443256 /nfs/dbraw/zinc/44/32/56/567443256.db2.gz GECQBTJSWKUBFO-GOSISDBHSA-N 1 0 394.357 3.057 20 30 GGEDRO COc1cc[nH+]c(N2CCN(c3cc(Br)c(C#N)cc3F)CC2)c1 ZINC000569940593 567445080 /nfs/dbraw/zinc/44/50/80/567445080.db2.gz GUUZRSSAOGLKMQ-UHFFFAOYSA-N 1 0 391.244 3.190 20 30 GGEDRO N#CCN1CCC([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000619426228 567451592 /nfs/dbraw/zinc/45/15/92/567451592.db2.gz IESJVRFUAONAQX-UHFFFAOYSA-N 1 0 392.219 3.425 20 30 GGEDRO C[C@@H](CCc1ccc(I)cc1)[NH2+]C1CCN(CC#N)CC1 ZINC000619426238 567452254 /nfs/dbraw/zinc/45/22/54/567452254.db2.gz JHYGXVNGRLXFJG-AWEZNQCLSA-N 1 0 397.304 3.190 20 30 GGEDRO Cc1c(Br)cccc1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000594570247 567487172 /nfs/dbraw/zinc/48/71/72/567487172.db2.gz JMJODHPBGQRXQG-KRWDZBQOSA-N 1 0 389.293 3.353 20 30 GGEDRO C=CCCSCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000594718771 567501920 /nfs/dbraw/zinc/50/19/20/567501920.db2.gz TXDHOGAKXLQHQY-UHFFFAOYSA-N 1 0 378.357 3.122 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000551421303 567504395 /nfs/dbraw/zinc/50/43/95/567504395.db2.gz AMLHWQBCNNZCQE-BJOOFOGMSA-N 1 0 393.329 3.328 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000551421304 567504840 /nfs/dbraw/zinc/50/48/40/567504840.db2.gz AMLHWQBCNNZCQE-IWEFOYFVSA-N 1 0 393.329 3.328 20 30 GGEDRO CC[NH+]1CCC(CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594749895 567506205 /nfs/dbraw/zinc/50/62/05/567506205.db2.gz DBZPTEZADYZUGD-UHFFFAOYSA-N 1 0 377.535 3.092 20 30 GGEDRO O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644046626 567527519 /nfs/dbraw/zinc/52/75/19/567527519.db2.gz SVRCYWOCRZHLFU-JLIMGVALSA-N 1 0 382.295 3.257 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000570980025 567527650 /nfs/dbraw/zinc/52/76/50/567527650.db2.gz QODVUBGPTFMBMM-UHFFFAOYSA-N 1 0 390.281 3.083 20 30 GGEDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000595107873 567541776 /nfs/dbraw/zinc/54/17/76/567541776.db2.gz GXZOLDAUUVYYNB-UHFFFAOYSA-N 1 0 377.535 3.234 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000595121076 567542767 /nfs/dbraw/zinc/54/27/67/567542767.db2.gz UWQYZTDSWVSIRZ-CQSZACIVSA-N 1 0 375.519 3.034 20 30 GGEDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3C#N)[C@@H]2C1 ZINC000571201031 567544975 /nfs/dbraw/zinc/54/49/75/567544975.db2.gz GSFVWCGSHVOVSA-BMGDILEWSA-N 1 0 376.298 3.057 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000595346374 567556863 /nfs/dbraw/zinc/55/68/63/567556863.db2.gz VBWJJAMXLIWYPA-HNNXBMFYSA-N 1 0 377.535 3.186 20 30 GGEDRO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611560 567573963 /nfs/dbraw/zinc/57/39/63/567573963.db2.gz LASOKMAJPMOIOZ-GJZGRUSLSA-N 1 0 378.314 3.422 20 30 GGEDRO N#CC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614275 567574119 /nfs/dbraw/zinc/57/41/19/567574119.db2.gz JQFDWSRUBVVLHP-GXTWGEPZSA-N 1 0 387.705 3.468 20 30 GGEDRO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611559 567574131 /nfs/dbraw/zinc/57/41/31/567574131.db2.gz LASOKMAJPMOIOZ-CABCVRRESA-N 1 0 378.314 3.422 20 30 GGEDRO N#CC[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614286 567574295 /nfs/dbraw/zinc/57/42/95/567574295.db2.gz JQFDWSRUBVVLHP-TZMCWYRMSA-N 1 0 387.705 3.468 20 30 GGEDRO N#Cc1cc(F)c(N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Br ZINC000571656715 567579697 /nfs/dbraw/zinc/57/96/97/567579697.db2.gz DKLSJWTZXYDXQO-AWEZNQCLSA-N 1 0 382.277 3.151 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439323598 567581577 /nfs/dbraw/zinc/58/15/77/567581577.db2.gz QZYYVOWUADRHCV-ZDUSSCGKSA-N 1 0 394.313 3.029 20 30 GGEDRO C=CCSCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480172643 567584415 /nfs/dbraw/zinc/58/44/15/567584415.db2.gz WUCKVVXVQHFQRJ-CYBMUJFWSA-N 1 0 376.341 3.176 20 30 GGEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000530231663 567586153 /nfs/dbraw/zinc/58/61/53/567586153.db2.gz SJPKPFGGBUIUJW-RDTXWAMCSA-N 1 0 387.277 3.338 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)nc1 ZINC000571918151 567598367 /nfs/dbraw/zinc/59/83/67/567598367.db2.gz KDMLXTPXTOEURQ-OAHLLOKOSA-N 1 0 393.921 3.207 20 30 GGEDRO N#CCC1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000530494545 567607324 /nfs/dbraw/zinc/60/73/24/567607324.db2.gz XVGGIKZYLSJLBE-UHFFFAOYSA-N 1 0 378.314 3.411 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNc3nc(C#N)c(Cl)s3)CC2)cc1 ZINC000596096714 567609061 /nfs/dbraw/zinc/60/90/61/567609061.db2.gz YDWZSAAYGDXEKL-UHFFFAOYSA-N 1 0 376.913 3.423 20 30 GGEDRO C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000440079280 567615675 /nfs/dbraw/zinc/61/56/75/567615675.db2.gz XFENVMPMQBNUOF-SCLBCKFNSA-N 1 0 377.897 3.181 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCN(C)C2=O)cc1OCC ZINC000530644102 567616155 /nfs/dbraw/zinc/61/61/55/567616155.db2.gz BEHWACSICLZQCI-HNNXBMFYSA-N 1 0 397.313 3.123 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000459658510 567647330 /nfs/dbraw/zinc/64/73/30/567647330.db2.gz KRIKETYVFRGSJT-UHFFFAOYSA-N 1 0 380.286 3.397 20 30 GGEDRO N#Cc1cccc(C[NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459690794 567650413 /nfs/dbraw/zinc/65/04/13/567650413.db2.gz FOZGOLWEKHQQOG-MRXNPFEDSA-N 1 0 377.257 3.401 20 30 GGEDRO COc1cc(C[NH2+]CC(C)(C)CC#N)cc(I)c1OC ZINC000459683821 567650571 /nfs/dbraw/zinc/65/05/71/567650571.db2.gz CSHXHKLLVHQEOM-UHFFFAOYSA-N 1 0 388.249 3.338 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)Cn1ccnc1 ZINC000459718713 567654724 /nfs/dbraw/zinc/65/47/24/567654724.db2.gz SODYYGNEEOHZFX-GFCCVEGCSA-N 1 0 379.258 3.421 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC1CCN(CC(=O)OC)CC1 ZINC000459718473 567655245 /nfs/dbraw/zinc/65/52/45/567655245.db2.gz XPKZEKTYZVUFIS-UHFFFAOYSA-N 1 0 383.286 3.063 20 30 GGEDRO CCC[C@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@@H+]1CCOC ZINC000481133438 567659950 /nfs/dbraw/zinc/65/99/50/567659950.db2.gz BSXHZEMAJXRVIV-KRWDZBQOSA-N 1 0 380.330 3.253 20 30 GGEDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000572916555 567675069 /nfs/dbraw/zinc/67/50/69/567675069.db2.gz IEZYBADYYLPNFJ-AWEZNQCLSA-N 1 0 383.945 3.094 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000531841537 567681861 /nfs/dbraw/zinc/68/18/61/567681861.db2.gz PSXFYBMHSCALLS-HNNXBMFYSA-N 1 0 392.341 3.421 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000531841538 567682273 /nfs/dbraw/zinc/68/22/73/567682273.db2.gz PSXFYBMHSCALLS-OAHLLOKOSA-N 1 0 392.341 3.421 20 30 GGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000532498236 567720006 /nfs/dbraw/zinc/72/00/06/567720006.db2.gz MWKNJEWWZXTOMO-KCQAQPDRSA-N 1 0 389.277 3.221 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481726131 567698442 /nfs/dbraw/zinc/69/84/42/567698442.db2.gz PSRWTMBYRKFPGD-BMIGLBTASA-N 1 0 398.276 3.029 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481737346 567699346 /nfs/dbraw/zinc/69/93/46/567699346.db2.gz DBBBDRNOIRANNB-KRWDZBQOSA-N 1 0 382.277 3.391 20 30 GGEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000442771620 567708592 /nfs/dbraw/zinc/70/85/92/567708592.db2.gz UHOVTOGJZWHKJQ-TZMCWYRMSA-N 1 0 385.327 3.283 20 30 GGEDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000597676662 567711862 /nfs/dbraw/zinc/71/18/62/567711862.db2.gz BMZPHNXUIYAWNZ-GFCCVEGCSA-N 1 0 382.291 3.190 20 30 GGEDRO C=CCOc1c(Br)cc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1OCC ZINC000666943389 567713809 /nfs/dbraw/zinc/71/38/09/567713809.db2.gz ACVYOJVLPYJXDF-KBPBESRZSA-N 1 0 387.293 3.202 20 30 GGEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1OC ZINC000623551058 567722203 /nfs/dbraw/zinc/72/22/03/567722203.db2.gz IXVKXEYXJZBQAV-UHFFFAOYSA-N 1 0 387.929 3.218 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443094209 567731203 /nfs/dbraw/zinc/73/12/03/567731203.db2.gz CIVXZSSCMDKSIL-GJZGRUSLSA-N 1 0 383.945 3.248 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000554916388 567756766 /nfs/dbraw/zinc/75/67/66/567756766.db2.gz JMMCJHYYFJPOQU-QGZVFWFLSA-N 1 0 377.897 3.101 20 30 GGEDRO Cc1cc(S(=O)(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000554917653 567756916 /nfs/dbraw/zinc/75/69/16/567756916.db2.gz GORUSALQJAOOGR-SFHVURJKSA-N 1 0 377.897 3.101 20 30 GGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000462044095 567762481 /nfs/dbraw/zinc/76/24/81/567762481.db2.gz DKOYBCCHQPAHGQ-CABCVRRESA-N 1 0 389.277 3.365 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000667674215 567764489 /nfs/dbraw/zinc/76/44/89/567764489.db2.gz SNQWONISGWARPQ-STQMWFEESA-N 1 0 386.265 3.178 20 30 GGEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000533395348 567767038 /nfs/dbraw/zinc/76/70/38/567767038.db2.gz RWXPDYDIMNQPSW-GFCCVEGCSA-N 1 0 384.307 3.335 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598557954 567776847 /nfs/dbraw/zinc/77/68/47/567776847.db2.gz OOTDGXHIMYPLTB-CQSZACIVSA-N 1 0 376.298 3.173 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000598602057 567778965 /nfs/dbraw/zinc/77/89/65/567778965.db2.gz ZUOGMJLKCLJNLM-MRXNPFEDSA-N 1 0 384.351 3.454 20 30 GGEDRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598597564 567779060 /nfs/dbraw/zinc/77/90/60/567779060.db2.gz YRPQOYZFWAMLLE-QAPCUYQASA-N 1 0 394.357 3.428 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000598620762 567779915 /nfs/dbraw/zinc/77/99/15/567779915.db2.gz RYMYFMJQOZLDBT-MRXNPFEDSA-N 1 0 398.320 3.007 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000598700373 567783590 /nfs/dbraw/zinc/78/35/90/567783590.db2.gz MEWBKDNEXWLHFQ-QGZVFWFLSA-N 1 0 395.341 3.388 20 30 GGEDRO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)ccc1C#N ZINC000444000461 567784863 /nfs/dbraw/zinc/78/48/63/567784863.db2.gz DYBXWVAHVZWTBC-MRXNPFEDSA-N 1 0 375.266 3.159 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000598721285 567785660 /nfs/dbraw/zinc/78/56/60/567785660.db2.gz UVYSMCARUQBKIY-KRWDZBQOSA-N 1 0 395.341 3.388 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000598720396 567785736 /nfs/dbraw/zinc/78/57/36/567785736.db2.gz MWGBIQAVFBNIOD-PBHICJAKSA-N 1 0 380.330 3.166 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000598723471 567785786 /nfs/dbraw/zinc/78/57/86/567785786.db2.gz IGAGCXLKPNKNRM-HIFRSBDPSA-N 1 0 384.307 3.379 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1OC ZINC000534092994 567799645 /nfs/dbraw/zinc/79/96/45/567799645.db2.gz HWLRAVKXKMGYOE-CQSZACIVSA-N 1 0 398.219 3.425 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000668370056 567809081 /nfs/dbraw/zinc/80/90/81/567809081.db2.gz MCITYOKWIZZFBZ-UHFFFAOYSA-N 1 0 383.334 3.171 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000170591040 570848993 /nfs/dbraw/zinc/84/89/93/570848993.db2.gz FFEAREDFQPQESK-SNVBAGLBSA-N 1 0 380.279 3.482 20 30 GGEDRO C=CCc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(OC)c1 ZINC000032896479 570887642 /nfs/dbraw/zinc/88/76/42/570887642.db2.gz IAPGFRBONPMDDB-UHFFFAOYSA-N 1 0 395.503 3.193 20 30 GGEDRO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801329 570908274 /nfs/dbraw/zinc/90/82/74/570908274.db2.gz WABOODYLNSTDQR-QGZVFWFLSA-N 1 0 394.544 3.105 20 30 GGEDRO COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1OC ZINC000107317272 570972639 /nfs/dbraw/zinc/97/26/39/570972639.db2.gz SIRONZGPPXTYCZ-UHFFFAOYSA-N 1 0 386.883 3.382 20 30 GGEDRO CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000736537025 598982122 /nfs/dbraw/zinc/98/21/22/598982122.db2.gz PGTYZHHLZCKVSF-OAHLLOKOSA-N 1 0 392.463 3.209 20 30 GGEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1Cl ZINC000737718180 598275809 /nfs/dbraw/zinc/27/58/09/598275809.db2.gz KSTIGSZQVYDDJD-UHFFFAOYSA-N 1 0 393.882 3.104 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820413771 599389836 /nfs/dbraw/zinc/38/98/36/599389836.db2.gz VSJPFGNHIWMYPL-VXGBXAGGSA-N 1 0 395.854 3.070 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000736813354 600593697 /nfs/dbraw/zinc/59/36/97/600593697.db2.gz DJAQSZWXJXPOQN-DRSNIGMVSA-N 1 0 393.487 3.083 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832315391 601303147 /nfs/dbraw/zinc/30/31/47/601303147.db2.gz YGZRYBBBVKWVOL-QFIPXVFZSA-N 1 0 393.487 3.194 20 30 GGEDRO C=CCC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)c1ccccc1 ZINC000823894841 608537846 /nfs/dbraw/zinc/53/78/46/608537846.db2.gz XVALZCIZHMNOLM-SFHVURJKSA-N 1 0 377.448 3.450 20 30 GGEDRO C=CCOc1ccccc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000823932299 608584043 /nfs/dbraw/zinc/58/40/43/608584043.db2.gz TUGHWNDGELEWQF-UHFFFAOYSA-N 1 0 390.491 3.144 20 30 GGEDRO C=CC[N@@H+](Cc1ccc(OCCOC)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823909636 608631351 /nfs/dbraw/zinc/63/13/51/608631351.db2.gz LVCVVBYDOWCGHA-UHFFFAOYSA-N 1 0 379.464 3.080 20 30 GGEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824605523 609136584 /nfs/dbraw/zinc/13/65/84/609136584.db2.gz JJRJBXNWPSDWKK-ZDUSSCGKSA-N 1 0 382.468 3.461 20 30 GGEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[NH+](CC3CC3)CC2)c1C#N ZINC000053238046 1406339289 /nfs/dbraw/zinc/33/92/89/1406339289.db2.gz GTTWAFPVAKTGAJ-UHFFFAOYSA-N 1 0 383.540 3.058 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[NH+](CC3CC3)CC2)c1C#N ZINC000053237780 1406339835 /nfs/dbraw/zinc/33/98/35/1406339835.db2.gz FMXRQKODKFPFCL-UHFFFAOYSA-N 1 0 397.567 3.448 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000053404923 1406387596 /nfs/dbraw/zinc/38/75/96/1406387596.db2.gz AOUVQUNKMFKINT-KRWDZBQOSA-N 1 0 387.524 3.353 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(C#N)cc1OC)c1ccccc1 ZINC000053637555 1406467851 /nfs/dbraw/zinc/46/78/51/1406467851.db2.gz ULZHSEKXMOCSFL-IBGZPJMESA-N 1 0 381.476 3.145 20 30 GGEDRO COc1ccc(N2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000053774302 1406508257 /nfs/dbraw/zinc/50/82/57/1406508257.db2.gz UBKBYCXQEPRWFJ-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCOc3ccccc3)CC2)cc1 ZINC000054005302 1406585752 /nfs/dbraw/zinc/58/57/52/1406585752.db2.gz PSJLJRDGXMODEH-UHFFFAOYSA-N 1 0 392.503 3.245 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000054216748 1406655361 /nfs/dbraw/zinc/65/53/61/1406655361.db2.gz YHLVUABKEAABCQ-OAHLLOKOSA-N 1 0 392.931 3.199 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223815 1406657800 /nfs/dbraw/zinc/65/78/00/1406657800.db2.gz XILCRSYGSBHVFX-RXVVDRJESA-N 1 0 393.535 3.298 20 30 GGEDRO CC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340230 1406696375 /nfs/dbraw/zinc/69/63/75/1406696375.db2.gz ISFQUMJVKXDTIT-QGZVFWFLSA-N 1 0 378.476 3.357 20 30 GGEDRO CC(C)C[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000054428049 1406733236 /nfs/dbraw/zinc/73/32/36/1406733236.db2.gz VGOGMMYWMXZWCF-MRXNPFEDSA-N 1 0 388.581 3.347 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)NCc3cccc(Cl)c3)CC2)cc1 ZINC000054454779 1406741790 /nfs/dbraw/zinc/74/17/90/1406741790.db2.gz CHPNYFBKRZYRRC-UHFFFAOYSA-N 1 0 396.922 3.036 20 30 GGEDRO CCc1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054642752 1406793131 /nfs/dbraw/zinc/79/31/31/1406793131.db2.gz NIPXZJBODXFJRT-UHFFFAOYSA-N 1 0 376.504 3.267 20 30 GGEDRO Cc1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000054677215 1406803353 /nfs/dbraw/zinc/80/33/53/1406803353.db2.gz QNAPJNUEHONEJY-CQSZACIVSA-N 1 0 399.520 3.398 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000054945974 1406855721 /nfs/dbraw/zinc/85/57/21/1406855721.db2.gz YBJCQPYKBKNOHG-KBPBESRZSA-N 1 0 390.915 3.023 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000054947150 1406856374 /nfs/dbraw/zinc/85/63/74/1406856374.db2.gz VXCCPAYXYZZWJE-KBPBESRZSA-N 1 0 390.915 3.023 20 30 GGEDRO CNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(C(C)(C)C)cc1 ZINC000055009415 1406869620 /nfs/dbraw/zinc/86/96/20/1406869620.db2.gz AMCIHYLYQWISEI-UHFFFAOYSA-O 1 0 385.509 3.201 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)OCCO2)C(=S)NC(C)C ZINC000055009689 1406869838 /nfs/dbraw/zinc/86/98/38/1406869838.db2.gz CPPKXSNQWVXMDM-UHFFFAOYSA-O 1 0 385.509 3.245 20 30 GGEDRO CC(C)NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(N(C)C)cc1 ZINC000055009713 1406869910 /nfs/dbraw/zinc/86/99/10/1406869910.db2.gz BITFHTSEZVOOEW-UHFFFAOYSA-O 1 0 378.468 3.255 20 30 GGEDRO Cc1ccccc1NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055102329 1406885670 /nfs/dbraw/zinc/88/56/70/1406885670.db2.gz FGOJMDULSQUIQG-LJQANCHMSA-N 1 0 376.504 3.402 20 30 GGEDRO C[C@@H](C(=O)NCCC1=CCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172694 1406897568 /nfs/dbraw/zinc/89/75/68/1406897568.db2.gz BUFLMXADYXUCLF-FQEVSTJZSA-N 1 0 394.563 3.461 20 30 GGEDRO COc1ccc(OCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000055294225 1406922985 /nfs/dbraw/zinc/92/29/85/1406922985.db2.gz QLHNRUIUVRCDMK-UHFFFAOYSA-N 1 0 393.487 3.070 20 30 GGEDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000055298079 1406923900 /nfs/dbraw/zinc/92/39/00/1406923900.db2.gz YCTZKAJATYBTKR-UHFFFAOYSA-N 1 0 389.443 3.072 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOc3ccccc3F)CC2)cc1 ZINC000055309734 1406926010 /nfs/dbraw/zinc/92/60/10/1406926010.db2.gz QHCKGSZLCHWIJZ-UHFFFAOYSA-N 1 0 381.451 3.201 20 30 GGEDRO CC(C)(C#N)C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055327630 1406931253 /nfs/dbraw/zinc/93/12/53/1406931253.db2.gz WIIZRFDGOARBQC-UHFFFAOYSA-N 1 0 376.504 3.493 20 30 GGEDRO CCc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH]c(C)c1C(C)=O ZINC000055388365 1406945639 /nfs/dbraw/zinc/94/56/39/1406945639.db2.gz JJLGCIQSZZUBER-UHFFFAOYSA-N 1 0 380.492 3.164 20 30 GGEDRO C[C@H](OC(=O)c1ccc(C[NH+]2CCCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000008351795 1398825446 /nfs/dbraw/zinc/82/54/46/1398825446.db2.gz WVZXMARCAPZPDT-INIZCTEOSA-N 1 0 377.444 3.338 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000015231496 1399145902 /nfs/dbraw/zinc/14/59/02/1399145902.db2.gz PUKVROMVVIVJEW-UHFFFAOYSA-N 1 0 393.531 3.009 20 30 GGEDRO COC(=O)c1c(C)[nH]c(C(O)=CONC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c1C ZINC000015397281 1399160907 /nfs/dbraw/zinc/16/09/07/1399160907.db2.gz VNAWIOBCLKUHBU-UHFFFAOYSA-N 1 0 387.480 3.106 20 30 GGEDRO N#Cc1ccc(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000016402050 1399237962 /nfs/dbraw/zinc/23/79/62/1399237962.db2.gz MCQKWCCGKRWYSB-UHFFFAOYSA-N 1 0 377.444 3.340 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000016734794 1399259476 /nfs/dbraw/zinc/25/94/76/1399259476.db2.gz KILHNMCTUUJTKN-PZJWPPBQSA-N 1 0 381.501 3.004 20 30 GGEDRO CCN(C(C)=O)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000021405946 1399378093 /nfs/dbraw/zinc/37/80/93/1399378093.db2.gz QGXHXXUHHWVSOK-UHFFFAOYSA-N 1 0 397.548 3.095 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021405861 1399378474 /nfs/dbraw/zinc/37/84/74/1399378474.db2.gz BMKUPUKXJPZFHJ-MRXNPFEDSA-N 1 0 397.910 3.142 20 30 GGEDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000021406086 1399378503 /nfs/dbraw/zinc/37/85/03/1399378503.db2.gz LEHAOXYUMIIPCV-GOSISDBHSA-N 1 0 392.503 3.102 20 30 GGEDRO C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406181 1399379007 /nfs/dbraw/zinc/37/90/07/1399379007.db2.gz GUPGQJXLDDWTDH-INIZCTEOSA-N 1 0 397.910 3.142 20 30 GGEDRO Cc1ccc(CNC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000021406333 1399379250 /nfs/dbraw/zinc/37/92/50/1399379250.db2.gz GKRQISNTCZDXPW-FQEVSTJZSA-N 1 0 390.531 3.079 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(N(C)C)cc1 ZINC000022687842 1399491733 /nfs/dbraw/zinc/49/17/33/1399491733.db2.gz BGGQAXRJTHPPKE-UHFFFAOYSA-O 1 0 380.537 3.243 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(Br)cc2)C(=S)NC)cc1 ZINC000022733671 1399496087 /nfs/dbraw/zinc/49/60/87/1399496087.db2.gz GPQWTKMPIYVDFE-UHFFFAOYSA-O 1 0 378.315 3.457 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Br)cc1)C(=S)NC ZINC000022733679 1399496406 /nfs/dbraw/zinc/49/64/06/1399496406.db2.gz QYMJCDIEGWFFEE-UHFFFAOYSA-O 1 0 378.315 3.457 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022792972 1399504265 /nfs/dbraw/zinc/50/42/65/1399504265.db2.gz WMTNYKORAQELMD-UHFFFAOYSA-O 1 0 383.537 3.336 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022803369 1399506418 /nfs/dbraw/zinc/50/64/18/1399506418.db2.gz JOYASDAMOQVSIV-HSZRJFAPSA-N 1 0 378.520 3.012 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000022850563 1399510682 /nfs/dbraw/zinc/51/06/82/1399510682.db2.gz APSWQGZFANNSAP-UHFFFAOYSA-N 1 0 379.489 3.378 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCOc3ccccc3)CC2)cc1 ZINC000023450900 1399561970 /nfs/dbraw/zinc/56/19/70/1399561970.db2.gz CLSONUIYOKSART-UHFFFAOYSA-N 1 0 377.488 3.452 20 30 GGEDRO C=CCn1c(C)nnc1S[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023516120 1399567536 /nfs/dbraw/zinc/56/75/36/1399567536.db2.gz KUFKKNJSYPWKOK-MRXNPFEDSA-N 1 0 399.564 3.034 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603798 1399573435 /nfs/dbraw/zinc/57/34/35/1399573435.db2.gz DVVKDDKKPAPNQV-UHFFFAOYSA-O 1 0 380.493 3.462 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000024049795 1399598431 /nfs/dbraw/zinc/59/84/31/1399598431.db2.gz HWZNWWOHJZWCFA-FQEVSTJZSA-N 1 0 397.523 3.283 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000024049793 1399598603 /nfs/dbraw/zinc/59/86/03/1399598603.db2.gz HWZNWWOHJZWCFA-HXUWFJFHSA-N 1 0 397.523 3.283 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000024050670 1399599135 /nfs/dbraw/zinc/59/91/35/1399599135.db2.gz RBFHYQGAXTWLGF-UHFFFAOYSA-N 1 0 393.535 3.081 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCc2ccc(OCC)cc2)CC1 ZINC000024814286 1399675442 /nfs/dbraw/zinc/67/54/42/1399675442.db2.gz AXRUNFHWRDPYGY-KRWDZBQOSA-N 1 0 387.524 3.130 20 30 GGEDRO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000025260502 1399782209 /nfs/dbraw/zinc/78/22/09/1399782209.db2.gz HRUNFTUQQAVYHI-INIZCTEOSA-N 1 0 380.366 3.329 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c(OC)c1 ZINC000025368898 1399803173 /nfs/dbraw/zinc/80/31/73/1399803173.db2.gz HDIASFNYMPLHKK-GOSISDBHSA-N 1 0 385.460 3.024 20 30 GGEDRO CC(C)[C@@H](CNC(=O)COc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025536493 1399817876 /nfs/dbraw/zinc/81/78/76/1399817876.db2.gz IJZRBAWSOJKIBT-JOCHJYFZSA-N 1 0 377.488 3.136 20 30 GGEDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000026299110 1399876302 /nfs/dbraw/zinc/87/63/02/1399876302.db2.gz SCBSKMGBBPHUGO-CQSZACIVSA-N 1 0 380.477 3.222 20 30 GGEDRO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CCCC1 ZINC000026447745 1399890955 /nfs/dbraw/zinc/89/09/55/1399890955.db2.gz JOWUTHBJLXOXLQ-UHFFFAOYSA-N 1 0 398.507 3.447 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000026568082 1399899859 /nfs/dbraw/zinc/89/98/59/1399899859.db2.gz YEKJAMQOZCLLKT-QGZVFWFLSA-N 1 0 378.476 3.025 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000026568086 1399899954 /nfs/dbraw/zinc/89/99/54/1399899954.db2.gz YEKJAMQOZCLLKT-KRWDZBQOSA-N 1 0 378.476 3.025 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccccc3C)CC2)c(C#N)c1C ZINC000026762590 1399931479 /nfs/dbraw/zinc/93/14/79/1399931479.db2.gz LDXDJSGNVZZKRT-KRWDZBQOSA-N 1 0 380.492 3.221 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc(CO)c1 ZINC000027058976 1399975247 /nfs/dbraw/zinc/97/52/47/1399975247.db2.gz BIECQZIZEPYKAZ-UHFFFAOYSA-O 1 0 381.521 3.060 20 30 GGEDRO COCCNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc2c(c1)CCCC2 ZINC000027308429 1400018154 /nfs/dbraw/zinc/01/81/54/1400018154.db2.gz HOTZHUYRBHETNW-UHFFFAOYSA-O 1 0 399.536 3.036 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(N(C)C)cc1 ZINC000027324026 1400019180 /nfs/dbraw/zinc/01/91/80/1400019180.db2.gz OHOPDCWDSNWEOH-UHFFFAOYSA-O 1 0 386.541 3.377 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NC1CCCCC1)[n+]1cccc(CO)c1 ZINC000027329115 1400019910 /nfs/dbraw/zinc/01/99/10/1400019910.db2.gz HMKOMJYXCWCCKO-UHFFFAOYSA-O 1 0 399.536 3.336 20 30 GGEDRO CSCCCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1 ZINC000027481452 1400046324 /nfs/dbraw/zinc/04/63/24/1400046324.db2.gz PWABFNJWMKLNCU-UHFFFAOYSA-O 1 0 390.510 3.164 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000027570271 1400059091 /nfs/dbraw/zinc/05/90/91/1400059091.db2.gz DMOWKLDQOKEJHC-UWJYYQICSA-N 1 0 393.487 3.287 20 30 GGEDRO CN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000027571451 1400059587 /nfs/dbraw/zinc/05/95/87/1400059587.db2.gz CLNZVHNRCLFRSQ-GOSISDBHSA-N 1 0 382.508 3.022 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000027570261 1400059689 /nfs/dbraw/zinc/05/96/89/1400059689.db2.gz DMOWKLDQOKEJHC-DYESRHJHSA-N 1 0 393.487 3.287 20 30 GGEDRO COc1ccc([C@H](CNC(=O)COc2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000027667821 1400073528 /nfs/dbraw/zinc/07/35/28/1400073528.db2.gz APMPIPPHJRPUGS-NRFANRHFSA-N 1 0 393.487 3.289 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055757795 1407076012 /nfs/dbraw/zinc/07/60/12/1407076012.db2.gz SRZUCSGTZZFYGH-FGTMMUONSA-N 1 0 387.524 3.208 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000028264407 1400145094 /nfs/dbraw/zinc/14/50/94/1400145094.db2.gz OWJNQIKRDDFDPX-NRFANRHFSA-N 1 0 399.922 3.159 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(O)cc3)CC2)cc1Cl ZINC000028843379 1400202746 /nfs/dbraw/zinc/20/27/46/1400202746.db2.gz QMACJRSSJHVCBR-UHFFFAOYSA-N 1 0 384.867 3.068 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028919145 1400210745 /nfs/dbraw/zinc/21/07/45/1400210745.db2.gz HOWCZFLYJIMATL-IERDGZPVSA-N 1 0 393.487 3.192 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028919141 1400210778 /nfs/dbraw/zinc/21/07/78/1400210778.db2.gz HOWCZFLYJIMATL-IIBYNOLFSA-N 1 0 393.487 3.192 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1OC(F)F ZINC000028922056 1400211732 /nfs/dbraw/zinc/21/17/32/1400211732.db2.gz PDLSJDFCKZBPMX-GOEBONIOSA-N 1 0 376.403 3.445 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1OC(F)F ZINC000028922055 1400211788 /nfs/dbraw/zinc/21/17/88/1400211788.db2.gz PDLSJDFCKZBPMX-GDBMZVCRSA-N 1 0 376.403 3.445 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1OC(F)F ZINC000028922058 1400211834 /nfs/dbraw/zinc/21/18/34/1400211834.db2.gz PDLSJDFCKZBPMX-HOCLYGCPSA-N 1 0 376.403 3.445 20 30 GGEDRO Cc1cccc(C)c1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028960386 1400216818 /nfs/dbraw/zinc/21/68/18/1400216818.db2.gz FKICLTCWHQNPJT-UHFFFAOYSA-N 1 0 376.504 3.322 20 30 GGEDRO C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961469 1400216825 /nfs/dbraw/zinc/21/68/25/1400216825.db2.gz OQKVIRSUVURVCT-IBGZPJMESA-N 1 0 388.515 3.044 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000029374649 1400290035 /nfs/dbraw/zinc/29/00/35/1400290035.db2.gz QQQTZKGJOQESEI-GOSISDBHSA-N 1 0 392.503 3.415 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029827734 1400358865 /nfs/dbraw/zinc/35/88/65/1400358865.db2.gz QTMLHUZPZHVPDW-MSOLQXFVSA-N 1 0 377.444 3.319 20 30 GGEDRO Cc1cccc(C(=O)N2CCC[N@H+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000029848697 1400362826 /nfs/dbraw/zinc/36/28/26/1400362826.db2.gz LMMKTFVNWXJMIC-UHFFFAOYSA-N 1 0 396.516 3.105 20 30 GGEDRO COc1ccccc1NC(=O)C1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000029905318 1400374998 /nfs/dbraw/zinc/37/49/98/1400374998.db2.gz PTSFEUSHNSRQRD-UHFFFAOYSA-N 1 0 379.460 3.296 20 30 GGEDRO CC1CC[NH+](Cc2ccc(CNS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000030008421 1400397032 /nfs/dbraw/zinc/39/70/32/1400397032.db2.gz HGKGNBQZKSXRJM-UHFFFAOYSA-N 1 0 383.517 3.269 20 30 GGEDRO CC[N@H+](C[C@H](O)COc1ccc(C(=O)OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741794 1400406875 /nfs/dbraw/zinc/40/68/75/1400406875.db2.gz IGTRVSJFIQTCST-JXFKEZNVSA-N 1 0 382.460 3.168 20 30 GGEDRO CC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000042741845 1400407255 /nfs/dbraw/zinc/40/72/55/1400407255.db2.gz QJQFWJLRFIUJKQ-CQSZACIVSA-N 1 0 394.431 3.018 20 30 GGEDRO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741938 1400407330 /nfs/dbraw/zinc/40/73/30/1400407330.db2.gz GONUBJHVXXYPED-SFHVURJKSA-N 1 0 392.503 3.416 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000055903232 1407126255 /nfs/dbraw/zinc/12/62/55/1407126255.db2.gz KRBSAFNPBPIYKQ-UHFFFAOYSA-N 1 0 394.544 3.107 20 30 GGEDRO CCOc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000056016051 1407172969 /nfs/dbraw/zinc/17/29/69/1407172969.db2.gz MWLQESXIECAHGX-UHFFFAOYSA-N 1 0 379.504 3.480 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1F ZINC000056065757 1407189087 /nfs/dbraw/zinc/18/90/87/1407189087.db2.gz HFDOTYRRONXSLE-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000056171856 1407239721 /nfs/dbraw/zinc/23/97/21/1407239721.db2.gz XVRMAWFMFIOCFA-HOTGVXAUSA-N 1 0 397.475 3.270 20 30 GGEDRO CC(C)(CNC(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+]1CCCCC1 ZINC000043190857 1403728234 /nfs/dbraw/zinc/72/82/34/1403728234.db2.gz AIWHHNCRDUVEEB-UHFFFAOYSA-N 1 0 383.540 3.044 20 30 GGEDRO CN(CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000043235182 1403731747 /nfs/dbraw/zinc/73/17/47/1403731747.db2.gz YMTJTFZEXHJOAO-UHFFFAOYSA-N 1 0 393.535 3.158 20 30 GGEDRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000043267628 1403735909 /nfs/dbraw/zinc/73/59/09/1403735909.db2.gz NRUYRUZGUBZWNP-UHFFFAOYSA-N 1 0 394.475 3.315 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000043329506 1403748373 /nfs/dbraw/zinc/74/83/73/1403748373.db2.gz XCWHSKVYSSRBCX-UHFFFAOYSA-N 1 0 377.492 3.201 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCN2C(C)=O)C(C)C ZINC000043825834 1403822941 /nfs/dbraw/zinc/82/29/41/1403822941.db2.gz CYSOILLWFPEUET-NRFANRHFSA-N 1 0 384.524 3.416 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000043836070 1403826961 /nfs/dbraw/zinc/82/69/61/1403826961.db2.gz KKEGDVYXCGIVEM-UHFFFAOYSA-N 1 0 386.565 3.451 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccc(F)cc3)CC2)cc1 ZINC000044254858 1403909491 /nfs/dbraw/zinc/90/94/91/1403909491.db2.gz ITDACTSDNLDSHN-UHFFFAOYSA-N 1 0 380.467 3.157 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccccc1CC ZINC000044546631 1403948140 /nfs/dbraw/zinc/94/81/40/1403948140.db2.gz DHOXVSUYWLXKGD-UHFFFAOYSA-O 1 0 394.520 3.136 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1cccc(C)c1 ZINC000044557861 1403950546 /nfs/dbraw/zinc/95/05/46/1403950546.db2.gz ZUANDNZXXLGATE-UHFFFAOYSA-O 1 0 382.509 3.106 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccc(CC)cc1 ZINC000044557875 1403950579 /nfs/dbraw/zinc/95/05/79/1403950579.db2.gz LVGRWXVUKDFYHQ-UHFFFAOYSA-O 1 0 396.536 3.360 20 30 GGEDRO CCc1nc2ccccc2n1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000044566133 1403951237 /nfs/dbraw/zinc/95/12/37/1403951237.db2.gz JBFZKJGMBWTOOO-UHFFFAOYSA-N 1 0 389.503 3.061 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000056595124 1407372950 /nfs/dbraw/zinc/37/29/50/1407372950.db2.gz YCRGKALYIGQNSW-UHFFFAOYSA-N 1 0 382.508 3.249 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000056611947 1407378940 /nfs/dbraw/zinc/37/89/40/1407378940.db2.gz OCFNBMFZPKBRGF-UHFFFAOYSA-N 1 0 382.464 3.219 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2cccc(C#N)c2)C1 ZINC000045077539 1404049344 /nfs/dbraw/zinc/04/93/44/1404049344.db2.gz RIXBEDLZASJJSH-GOSISDBHSA-N 1 0 377.488 3.485 20 30 GGEDRO C=CCOc1cccc(NC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000056611406 1407377708 /nfs/dbraw/zinc/37/77/08/1407377708.db2.gz CLFQXPNVJDYXMJ-UHFFFAOYSA-N 1 0 394.519 3.321 20 30 GGEDRO Cc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000045346281 1404103097 /nfs/dbraw/zinc/10/30/97/1404103097.db2.gz MCNADILVLPUQFH-UHFFFAOYSA-N 1 0 380.467 3.423 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)NCCSCc1ccccc1C#N)c1ccsc1 ZINC000045572275 1404149102 /nfs/dbraw/zinc/14/91/02/1404149102.db2.gz VYFLDOIAEWTHCZ-GOSISDBHSA-N 1 0 388.562 3.455 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000045812505 1404212491 /nfs/dbraw/zinc/21/24/91/1404212491.db2.gz RDPLSUILPSEWHO-HZPDHXFCSA-N 1 0 382.508 3.417 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812500 1404212600 /nfs/dbraw/zinc/21/26/00/1404212600.db2.gz RDPLSUILPSEWHO-CVEARBPZSA-N 1 0 382.508 3.417 20 30 GGEDRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000046086898 1404293114 /nfs/dbraw/zinc/29/31/14/1404293114.db2.gz XYLPXYGVRFPDMU-OAQYLSRUSA-N 1 0 379.504 3.127 20 30 GGEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3cccc(C#N)c3)cc2)CC1 ZINC000046120912 1404304017 /nfs/dbraw/zinc/30/40/17/1404304017.db2.gz QEDOELGIRZQREY-UHFFFAOYSA-N 1 0 377.492 3.017 20 30 GGEDRO C[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000046338808 1404370091 /nfs/dbraw/zinc/37/00/91/1404370091.db2.gz WRMFJGQELAXQLZ-OALUTQOASA-N 1 0 383.540 3.043 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccsc1 ZINC000046346197 1404376230 /nfs/dbraw/zinc/37/62/30/1404376230.db2.gz XXQMFJDRBOXZND-FQEVSTJZSA-N 1 0 397.548 3.144 20 30 GGEDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCOc1ccc(C#N)cc1OC ZINC000046781742 1404587667 /nfs/dbraw/zinc/58/76/67/1404587667.db2.gz UKQIBLFVNMJZQA-QGZVFWFLSA-N 1 0 375.513 3.353 20 30 GGEDRO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000046830670 1404606719 /nfs/dbraw/zinc/60/67/19/1404606719.db2.gz KNQHYBVYXZNUNG-NQIIRXRSSA-N 1 0 386.540 3.227 20 30 GGEDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000046926515 1404637536 /nfs/dbraw/zinc/63/75/36/1404637536.db2.gz CNWTVHJAFFBGEP-UHFFFAOYSA-N 1 0 391.519 3.042 20 30 GGEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CC1 ZINC000046939653 1404643744 /nfs/dbraw/zinc/64/37/44/1404643744.db2.gz JHYKLRAVZUGSDN-UHFFFAOYSA-N 1 0 376.504 3.267 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000046949357 1404649620 /nfs/dbraw/zinc/64/96/20/1404649620.db2.gz UKCIINHBHGCPCL-IBGZPJMESA-N 1 0 387.524 3.353 20 30 GGEDRO Cc1ccc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010380 1404673726 /nfs/dbraw/zinc/67/37/26/1404673726.db2.gz SCIASKRCQHSYAU-UHFFFAOYSA-N 1 0 377.488 3.420 20 30 GGEDRO COc1ccc2c(ccn2CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000047011543 1404673832 /nfs/dbraw/zinc/67/38/32/1404673832.db2.gz FTVDXMJHTNWAQJ-UHFFFAOYSA-N 1 0 390.487 3.112 20 30 GGEDRO Cc1ccc(C(=O)CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000047011613 1404674092 /nfs/dbraw/zinc/67/40/92/1404674092.db2.gz RFQICPDDISHPBK-UHFFFAOYSA-N 1 0 383.517 3.482 20 30 GGEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000047011275 1404674226 /nfs/dbraw/zinc/67/42/26/1404674226.db2.gz SSVURKYCVIHKLN-UHFFFAOYSA-N 1 0 393.487 3.336 20 30 GGEDRO COc1cccc(CO[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000047011573 1404674406 /nfs/dbraw/zinc/67/44/06/1404674406.db2.gz VNTKBIBSCUXKNX-GOSISDBHSA-N 1 0 395.503 3.062 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000047281166 1404785562 /nfs/dbraw/zinc/78/55/62/1404785562.db2.gz GRHIBTRYPPSEFN-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047287133 1404788710 /nfs/dbraw/zinc/78/87/10/1404788710.db2.gz XPERZVSHVMNITG-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO CC(C)(C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1CCOCC1 ZINC000047697523 1404894565 /nfs/dbraw/zinc/89/45/65/1404894565.db2.gz DIWVWFRRQTYJPN-UHFFFAOYSA-N 1 0 379.504 3.338 20 30 GGEDRO COc1cccc([C@H](CNC(=O)NCc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000047986383 1405018472 /nfs/dbraw/zinc/01/84/72/1405018472.db2.gz TWRMAIFSTZLSPI-NRFANRHFSA-N 1 0 378.476 3.203 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048269030 1405121504 /nfs/dbraw/zinc/12/15/04/1405121504.db2.gz NJMADCPREKGFMH-HDICACEKSA-N 1 0 387.524 3.210 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048269032 1405122143 /nfs/dbraw/zinc/12/21/43/1405122143.db2.gz NJMADCPREKGFMH-ROUUACIJSA-N 1 0 387.524 3.210 20 30 GGEDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000048768805 1405285918 /nfs/dbraw/zinc/28/59/18/1405285918.db2.gz MZIHMEQKYAIWJX-UHFFFAOYSA-N 1 0 395.528 3.075 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000048827244 1405300367 /nfs/dbraw/zinc/30/03/67/1405300367.db2.gz GRLDHXGTPLYNRT-ROUUACIJSA-N 1 0 392.503 3.167 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000048852426 1405308236 /nfs/dbraw/zinc/30/82/36/1405308236.db2.gz GLWZLLIXNBJTNV-IBGZPJMESA-N 1 0 398.894 3.349 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1Cl ZINC000048852730 1405308717 /nfs/dbraw/zinc/30/87/17/1405308717.db2.gz LUBRTGJSSSMFBB-LJQANCHMSA-N 1 0 396.878 3.103 20 30 GGEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 ZINC000049353890 1405370901 /nfs/dbraw/zinc/37/09/01/1405370901.db2.gz GVPSXNAUWBGABZ-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1Cl ZINC000049394644 1405376431 /nfs/dbraw/zinc/37/64/31/1405376431.db2.gz LPKQDBBXSGSIHA-UHFFFAOYSA-N 1 0 396.878 3.062 20 30 GGEDRO N#Cc1ccc(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000049971266 1405437442 /nfs/dbraw/zinc/43/74/42/1405437442.db2.gz IQQXZGHMERTZKD-UHFFFAOYSA-N 1 0 393.516 3.420 20 30 GGEDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051059676 1405716578 /nfs/dbraw/zinc/71/65/78/1405716578.db2.gz FERCUKIHZJJMSC-INIZCTEOSA-N 1 0 390.915 3.169 20 30 GGEDRO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000051059891 1405717026 /nfs/dbraw/zinc/71/70/26/1405717026.db2.gz QCRYROIABKYNSZ-FQEVSTJZSA-N 1 0 398.551 3.178 20 30 GGEDRO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051062599 1405717839 /nfs/dbraw/zinc/71/78/39/1405717839.db2.gz BDFZFVWCJQQDCX-FQEVSTJZSA-N 1 0 398.551 3.178 20 30 GGEDRO Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000051099146 1405725509 /nfs/dbraw/zinc/72/55/09/1405725509.db2.gz RFECSOGMRHUAJB-UHFFFAOYSA-N 1 0 396.516 3.151 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@@H+](CCC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000051181005 1405738053 /nfs/dbraw/zinc/73/80/53/1405738053.db2.gz MDRGOAQZMIWVFV-UHFFFAOYSA-N 1 0 380.467 3.234 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3csc(-c4ncccn4)n3)CC2)cc1 ZINC000051181025 1405738380 /nfs/dbraw/zinc/73/83/80/1405738380.db2.gz FVFAFQNIOUMVSJ-UHFFFAOYSA-N 1 0 390.516 3.180 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000051180951 1405738413 /nfs/dbraw/zinc/73/84/13/1405738413.db2.gz RPXSLJKOFJDIJK-UHFFFAOYSA-N 1 0 387.487 3.240 20 30 GGEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000051181004 1405738510 /nfs/dbraw/zinc/73/85/10/1405738510.db2.gz JYQPSWVWASOSDR-UHFFFAOYSA-N 1 0 380.448 3.183 20 30 GGEDRO C=CCc1cc(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)cc(OC)c1OC ZINC000051267062 1405761971 /nfs/dbraw/zinc/76/19/71/1405761971.db2.gz DCZIDQXPBVLDPQ-UHFFFAOYSA-N 1 0 397.519 3.493 20 30 GGEDRO C=CCc1cc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc(OC)c1OC ZINC000051270775 1405764692 /nfs/dbraw/zinc/76/46/92/1405764692.db2.gz PEZIQPBAQCMBMJ-UHFFFAOYSA-N 1 0 397.519 3.493 20 30 GGEDRO C=CCc1cc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)cc(OC)c1OC ZINC000051276701 1405770871 /nfs/dbraw/zinc/77/08/71/1405770871.db2.gz SYQNACAYJNFZOB-UHFFFAOYSA-N 1 0 389.540 3.352 20 30 GGEDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1OC ZINC000051283558 1405775347 /nfs/dbraw/zinc/77/53/47/1405775347.db2.gz JYGFOLCSVLWZGP-PZJWPPBQSA-N 1 0 396.487 3.347 20 30 GGEDRO N#Cc1ccc(OCCC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000051286114 1405776562 /nfs/dbraw/zinc/77/65/62/1405776562.db2.gz WQWDSURRLKOBLS-UHFFFAOYSA-N 1 0 376.460 3.307 20 30 GGEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000051321952 1405785701 /nfs/dbraw/zinc/78/57/01/1405785701.db2.gz OOXLHIDTDMQKQL-UHFFFAOYSA-N 1 0 394.475 3.246 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)Cc2ccc(C#N)cc2)CC1 ZINC000051401145 1405805031 /nfs/dbraw/zinc/80/50/31/1405805031.db2.gz PUMDDVXXYWRBDY-UHFFFAOYSA-N 1 0 390.531 3.079 20 30 GGEDRO N#Cc1ccc(CN2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000051621466 1405840302 /nfs/dbraw/zinc/84/03/02/1405840302.db2.gz PSVCDHXAHHFFJB-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO CCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000051688159 1405849349 /nfs/dbraw/zinc/84/93/49/1405849349.db2.gz CUBUUNJPGCESLC-FPOVZHCZSA-N 1 0 396.487 3.044 20 30 GGEDRO C=CCc1cc(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc(OC)c1OC ZINC000051778401 1405862984 /nfs/dbraw/zinc/86/29/84/1405862984.db2.gz DZUWBBBZPSOGMV-UHFFFAOYSA-N 1 0 389.540 3.448 20 30 GGEDRO CCC[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccc(C#N)cc1 ZINC000051855302 1405876316 /nfs/dbraw/zinc/87/63/16/1405876316.db2.gz LHPIJCJNLSUFQE-QFIPXVFZSA-N 1 0 390.531 3.413 20 30 GGEDRO CCc1nc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000052409043 1406043952 /nfs/dbraw/zinc/04/39/52/1406043952.db2.gz SKQJVQSOBHGFMA-UHFFFAOYSA-N 1 0 397.548 3.032 20 30 GGEDRO C#CC[N@@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000052846203 1406195711 /nfs/dbraw/zinc/19/57/11/1406195711.db2.gz UBISQEVQAPNOAK-NZQKXSOJSA-N 1 0 378.472 3.007 20 30 GGEDRO C#CC[N@@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000052846202 1406196418 /nfs/dbraw/zinc/19/64/18/1406196418.db2.gz UBISQEVQAPNOAK-NFBKMPQASA-N 1 0 378.472 3.007 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000056757974 1407421863 /nfs/dbraw/zinc/42/18/63/1407421863.db2.gz MMCLQHYUHUBWOO-UHFFFAOYSA-N 1 0 382.508 3.060 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2c(cccc2NC(C)=O)C1)C(C)C ZINC000056871900 1407461236 /nfs/dbraw/zinc/46/12/36/1407461236.db2.gz DLJRRTSVEFAJIP-JOCHJYFZSA-N 1 0 398.551 3.411 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1OC ZINC000057054845 1407510399 /nfs/dbraw/zinc/51/03/99/1407510399.db2.gz FYXYMUKTEUZPJR-UHFFFAOYSA-N 1 0 395.503 3.260 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)CC1 ZINC000057155082 1407538226 /nfs/dbraw/zinc/53/82/26/1407538226.db2.gz GZFNLUCXQSVBAP-UHFFFAOYSA-N 1 0 391.519 3.264 20 30 GGEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000057166864 1407540736 /nfs/dbraw/zinc/54/07/36/1407540736.db2.gz TUPGSMCSXAAVLU-UHFFFAOYSA-N 1 0 381.476 3.049 20 30 GGEDRO N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000057171933 1407543824 /nfs/dbraw/zinc/54/38/24/1407543824.db2.gz NALSWLSRFDSPMW-HSZRJFAPSA-N 1 0 388.515 3.262 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CC1 ZINC000057175513 1407546132 /nfs/dbraw/zinc/54/61/32/1407546132.db2.gz CESPXSQNDHDXJS-UHFFFAOYSA-N 1 0 393.462 3.291 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)CC1 ZINC000057174509 1407546207 /nfs/dbraw/zinc/54/62/07/1407546207.db2.gz CRQISKNEMZITEY-UHFFFAOYSA-N 1 0 387.480 3.326 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000057177286 1407547504 /nfs/dbraw/zinc/54/75/04/1407547504.db2.gz DXPPVIQJFILNAP-SFHVURJKSA-N 1 0 377.488 3.183 20 30 GGEDRO Cc1ccccc1OCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000057210353 1407556504 /nfs/dbraw/zinc/55/65/04/1407556504.db2.gz YSZCQRIOIOCTGG-UHFFFAOYSA-N 1 0 392.503 3.163 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000057613209 1407666633 /nfs/dbraw/zinc/66/66/33/1407666633.db2.gz VLGZARVYFJOBFH-LJQANCHMSA-N 1 0 386.540 3.371 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000057618631 1407669210 /nfs/dbraw/zinc/66/92/10/1407669210.db2.gz AXEGAKAGDSMTKQ-GUDVDZBRSA-N 1 0 386.540 3.083 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc2ccccc2[nH]1 ZINC000057645237 1407675474 /nfs/dbraw/zinc/67/54/74/1407675474.db2.gz BYYUNNLZNUFUTP-UHFFFAOYSA-N 1 0 375.476 3.313 20 30 GGEDRO CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000057647436 1407676479 /nfs/dbraw/zinc/67/64/79/1407676479.db2.gz FTMOUDHFTUJDOX-UHFFFAOYSA-N 1 0 397.498 3.037 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000058216671 1407798772 /nfs/dbraw/zinc/79/87/72/1407798772.db2.gz AIWLGRZPJRGSNX-OAQYLSRUSA-N 1 0 386.540 3.227 20 30 GGEDRO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000058299657 1407808856 /nfs/dbraw/zinc/80/88/56/1407808856.db2.gz WFSKVYYBONXZQO-VXKWHMMOSA-N 1 0 375.472 3.494 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000058490819 1407836421 /nfs/dbraw/zinc/83/64/21/1407836421.db2.gz AMZJQZLGNWOHSG-IBGZPJMESA-N 1 0 377.444 3.495 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000058685408 1407864440 /nfs/dbraw/zinc/86/44/40/1407864440.db2.gz MWBOYDPMOIEGDA-UHFFFAOYSA-N 1 0 391.450 3.087 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCSCc1ccccn1 ZINC000058899038 1407895990 /nfs/dbraw/zinc/89/59/90/1407895990.db2.gz XVXKPXSJZSNERQ-UHFFFAOYSA-N 1 0 382.533 3.167 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058899050 1407896190 /nfs/dbraw/zinc/89/61/90/1407896190.db2.gz BKZDWJCGBNTFSU-UHFFFAOYSA-N 1 0 391.431 3.152 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000059358256 1407919526 /nfs/dbraw/zinc/91/95/26/1407919526.db2.gz XYHPGQABYDVSSM-FQEVSTJZSA-N 1 0 396.491 3.035 20 30 GGEDRO COc1cc(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)ccc1OCC#N ZINC000060407546 1407972736 /nfs/dbraw/zinc/97/27/36/1407972736.db2.gz RMXJZFZEEKVGCN-JXMROGBWSA-N 1 0 397.475 3.103 20 30 GGEDRO Cc1nc(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(C#N)c(C)c1C ZINC000060447259 1407979859 /nfs/dbraw/zinc/97/98/59/1407979859.db2.gz KZIZZWVEIHALGB-IBGZPJMESA-N 1 0 382.533 3.390 20 30 GGEDRO COc1cccc(OC)c1OC1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000060477838 1407986762 /nfs/dbraw/zinc/98/67/62/1407986762.db2.gz MAALQZXWOFVDMM-UHFFFAOYSA-N 1 0 382.460 3.498 20 30 GGEDRO N#Cc1ccc(OCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000061289419 1408103007 /nfs/dbraw/zinc/10/30/07/1408103007.db2.gz LUYGSZSAZNZSLC-UHFFFAOYSA-N 1 0 381.501 3.167 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000061503057 1408139561 /nfs/dbraw/zinc/13/95/61/1408139561.db2.gz JOLJWKWZPLTSJF-FQEVSTJZSA-N 1 0 393.487 3.207 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCCC2)C(C)C ZINC000062205197 1408217990 /nfs/dbraw/zinc/21/79/90/1408217990.db2.gz ZFBWBIZVXOMDFD-NRFANRHFSA-N 1 0 383.536 3.319 20 30 GGEDRO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)CCOCC2)cc1 ZINC000062242544 1408223928 /nfs/dbraw/zinc/22/39/28/1408223928.db2.gz FEDKCLBUYCHQIJ-SFHVURJKSA-N 1 0 399.535 3.064 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(OCC#N)c1 ZINC000062394411 1408248987 /nfs/dbraw/zinc/24/89/87/1408248987.db2.gz QDKPXAJMUSANAC-UHFFFAOYSA-N 1 0 388.418 3.463 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000176403418 1428303721 /nfs/dbraw/zinc/30/37/21/1428303721.db2.gz NDTRIWMDJDIGMP-MRXNPFEDSA-N 1 0 382.430 3.093 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000063341027 1408341083 /nfs/dbraw/zinc/34/10/83/1408341083.db2.gz PTJWEJLRSPBUIV-UHFFFAOYSA-N 1 0 388.515 3.134 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000063402866 1408349151 /nfs/dbraw/zinc/34/91/51/1408349151.db2.gz MTPVFSYOEMTWET-UHFFFAOYSA-N 1 0 389.503 3.315 20 30 GGEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000063753958 1408401197 /nfs/dbraw/zinc/40/11/97/1408401197.db2.gz NQIAAAOKRBTEIZ-UHFFFAOYSA-N 1 0 377.488 3.443 20 30 GGEDRO CC(C)[N@H+](CC(=O)N(C)CCOc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000063750426 1408401561 /nfs/dbraw/zinc/40/15/61/1408401561.db2.gz BXLJNCCMXBEYJO-UHFFFAOYSA-N 1 0 383.467 3.445 20 30 GGEDRO COC(=O)Nc1ccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750452 1408401988 /nfs/dbraw/zinc/40/19/88/1408401988.db2.gz WRCJSQFUXJKTKB-UHFFFAOYSA-N 1 0 394.475 3.263 20 30 GGEDRO COCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(C#N)cc1 ZINC000063754569 1408402893 /nfs/dbraw/zinc/40/28/93/1408402893.db2.gz MNZRGRNSOAMXJP-UHFFFAOYSA-N 1 0 396.447 3.252 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000064351939 1408537967 /nfs/dbraw/zinc/53/79/67/1408537967.db2.gz UXRMPLCCBUBYQR-IBGZPJMESA-N 1 0 396.560 3.244 20 30 GGEDRO COc1cc(/C=C/C(=O)N(CCC#N)CCC[NH+](C)C)ccc1OC(F)F ZINC000064361824 1408540524 /nfs/dbraw/zinc/54/05/24/1408540524.db2.gz JOBIQCQGIIMCFU-VQHVLOKHSA-N 1 0 381.423 3.004 20 30 GGEDRO Cc1ccc(C(=O)CCC(=O)CCC(=O)N(CCC#N)CCC[NH+](C)C)s1 ZINC000064381070 1408542873 /nfs/dbraw/zinc/54/28/73/1408542873.db2.gz MXAPXWZWTFMJTK-UHFFFAOYSA-N 1 0 391.537 3.063 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(c3nccs3)CC2)cc1Cl ZINC000064401847 1408546622 /nfs/dbraw/zinc/54/66/22/1408546622.db2.gz VRRQCVAJRBZZRE-UHFFFAOYSA-N 1 0 389.912 3.209 20 30 GGEDRO N#Cc1cccc(OCC[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000064482207 1408564800 /nfs/dbraw/zinc/56/48/00/1408564800.db2.gz QDRBNWVGZQISKD-UHFFFAOYSA-N 1 0 383.879 3.439 20 30 GGEDRO COc1ccc(C[NH2+][C@H](C)C(=O)NCc2ccccc2)cc1OCCCC#N ZINC000064614473 1408585929 /nfs/dbraw/zinc/58/59/29/1408585929.db2.gz HOMQIEXIWKVVEX-QGZVFWFLSA-N 1 0 381.476 3.172 20 30 GGEDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc1OCCCC#N ZINC000064613911 1408586013 /nfs/dbraw/zinc/58/60/13/1408586013.db2.gz KPAVMGTZJJZVKE-UHFFFAOYSA-N 1 0 397.475 3.365 20 30 GGEDRO CCNC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000064614028 1408586256 /nfs/dbraw/zinc/58/62/56/1408586256.db2.gz MWRYTGQZKQDMCT-UHFFFAOYSA-N 1 0 381.476 3.417 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000065414394 1408666692 /nfs/dbraw/zinc/66/66/92/1408666692.db2.gz LDIUMPDHTNPELH-UHFFFAOYSA-N 1 0 384.524 3.332 20 30 GGEDRO COc1cc2[nH]c(CCCNC(=[NH2+])NCCc3ccccc3)cc2c(OC)c1 ZINC000176492967 1428338884 /nfs/dbraw/zinc/33/88/84/1428338884.db2.gz RSKAQOFLOPXJJE-UHFFFAOYSA-N 1 0 380.492 3.265 20 30 GGEDRO COc1cc2[nH]c(CCCNC(=[NH2+])NCc3ccccc3OC)cc2c(OC)c1 ZINC000176492908 1428339164 /nfs/dbraw/zinc/33/91/64/1428339164.db2.gz WSNFEVKADGIQHR-UHFFFAOYSA-N 1 0 396.491 3.231 20 30 GGEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000065754855 1408724851 /nfs/dbraw/zinc/72/48/51/1408724851.db2.gz KKYFXDXAKNJZFD-UHFFFAOYSA-N 1 0 396.516 3.320 20 30 GGEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CSCC#N)CC1 ZINC000065909618 1408751761 /nfs/dbraw/zinc/75/17/61/1408751761.db2.gz KYPILFMAWYIQKN-UHFFFAOYSA-N 1 0 385.455 3.385 20 30 GGEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1OC ZINC000065930069 1408755991 /nfs/dbraw/zinc/75/59/91/1408755991.db2.gz DJBUJCVPCTYBRH-UHFFFAOYSA-N 1 0 393.487 3.336 20 30 GGEDRO Cc1ccnn1-c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931054 1408756181 /nfs/dbraw/zinc/75/61/81/1408756181.db2.gz AHIDSXOIHRJMIF-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO COc1ccc(OC)c(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930689 1408756255 /nfs/dbraw/zinc/75/62/55/1408756255.db2.gz YQYQQWFKCFLWLS-UHFFFAOYSA-N 1 0 395.503 3.098 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(F)c(Cl)c1 ZINC000065930645 1408756360 /nfs/dbraw/zinc/75/63/60/1408756360.db2.gz UWSOYWPNYKFMQE-UHFFFAOYSA-N 1 0 389.858 3.320 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(OC(F)F)cc1 ZINC000065931062 1408756372 /nfs/dbraw/zinc/75/63/72/1408756372.db2.gz GZZBKBZSOVDFQW-UHFFFAOYSA-N 1 0 387.430 3.293 20 30 GGEDRO COc1ccc(Cl)cc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930914 1408756486 /nfs/dbraw/zinc/75/64/86/1408756486.db2.gz FARMVWXVONDMON-UHFFFAOYSA-N 1 0 385.895 3.353 20 30 GGEDRO Cc1nc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2nc1C ZINC000065930993 1408756525 /nfs/dbraw/zinc/75/65/25/1408756525.db2.gz VMAODTGLDZCPNX-UHFFFAOYSA-N 1 0 387.487 3.322 20 30 GGEDRO Cc1cc(Cl)ccc1OCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065931180 1408756557 /nfs/dbraw/zinc/75/65/57/1408756557.db2.gz WCMMPCOIMCCBDI-UHFFFAOYSA-N 1 0 385.895 3.489 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000065965261 1408764396 /nfs/dbraw/zinc/76/43/96/1408764396.db2.gz ZGFRDKLIJRLBTP-UHFFFAOYSA-N 1 0 382.508 3.048 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000065965248 1408764436 /nfs/dbraw/zinc/76/44/36/1408764436.db2.gz JOMNEDLMDRMTKT-UHFFFAOYSA-N 1 0 382.508 3.048 20 30 GGEDRO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(OCC#N)cc2)SC1=S ZINC000066145116 1408784785 /nfs/dbraw/zinc/78/47/85/1408784785.db2.gz NBILVNSAVICYDV-WJDWOHSUSA-N 1 0 389.546 3.378 20 30 GGEDRO N#Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1OCC(F)(F)F ZINC000066159446 1408785594 /nfs/dbraw/zinc/78/55/94/1408785594.db2.gz GLCLDHJMGPKQGO-OAHLLOKOSA-N 1 0 382.386 3.201 20 30 GGEDRO C[C@@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000066189062 1408789065 /nfs/dbraw/zinc/78/90/65/1408789065.db2.gz KEBJCDKWAUPSAZ-GOSISDBHSA-N 1 0 391.519 3.363 20 30 GGEDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 ZINC000066240387 1408794426 /nfs/dbraw/zinc/79/44/26/1408794426.db2.gz ZBOOAVKLZNXUSM-UHFFFAOYSA-N 1 0 388.475 3.420 20 30 GGEDRO CCOCCC[NH+]=C(NCc1nc(C)cs1)NCc1ccc(OC)cc1 ZINC000066242685 1408795231 /nfs/dbraw/zinc/79/52/31/1408795231.db2.gz NKBDDJKSWWJVQK-UHFFFAOYSA-N 1 0 376.526 3.122 20 30 GGEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000066390479 1408828668 /nfs/dbraw/zinc/82/86/68/1408828668.db2.gz MEBMMRBBTSZELX-QGZVFWFLSA-N 1 0 387.499 3.195 20 30 GGEDRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)Nc3cccc(C#N)c3)CCOCC2)cc1 ZINC000066392926 1408829400 /nfs/dbraw/zinc/82/94/00/1408829400.db2.gz VAILLVXBRBGWGQ-QGZVFWFLSA-N 1 0 393.487 3.232 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000066422760 1408835625 /nfs/dbraw/zinc/83/56/25/1408835625.db2.gz KMXBFMLGJQNCOK-QGZVFWFLSA-N 1 0 399.514 3.099 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000066434949 1408837082 /nfs/dbraw/zinc/83/70/82/1408837082.db2.gz UXRMPLCCBUBYQR-LJQANCHMSA-N 1 0 396.560 3.244 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000066436955 1408838032 /nfs/dbraw/zinc/83/80/32/1408838032.db2.gz RWYXBGBNFKDQCZ-MRXNPFEDSA-N 1 0 382.508 3.364 20 30 GGEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC3)c2c1 ZINC000066436753 1408838140 /nfs/dbraw/zinc/83/81/40/1408838140.db2.gz QELDBROVRYQSRI-JOCHJYFZSA-N 1 0 382.508 3.410 20 30 GGEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC3)c2c1 ZINC000066436755 1408838304 /nfs/dbraw/zinc/83/83/04/1408838304.db2.gz QELDBROVRYQSRI-QFIPXVFZSA-N 1 0 382.508 3.410 20 30 GGEDRO CC1(C)CC(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000066619829 1408869839 /nfs/dbraw/zinc/86/98/39/1408869839.db2.gz MIKCQYPGNXQJDM-UHFFFAOYSA-N 1 0 384.524 3.139 20 30 GGEDRO C[C@H]1CCC[C@](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)([NH+](C)C)C1 ZINC000066623110 1408871383 /nfs/dbraw/zinc/87/13/83/1408871383.db2.gz YJQMITJJLKXERT-CVDCTZTESA-N 1 0 398.551 3.340 20 30 GGEDRO C[C@@H]1CCC[C@@](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)([NH+](C)C)C1 ZINC000066623107 1408871472 /nfs/dbraw/zinc/87/14/72/1408871472.db2.gz YJQMITJJLKXERT-AUSIDOKSSA-N 1 0 398.551 3.340 20 30 GGEDRO C[NH+](C)CCc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000066624758 1408872291 /nfs/dbraw/zinc/87/22/91/1408872291.db2.gz HRJVHCLUMPZQKN-UHFFFAOYSA-N 1 0 392.503 3.456 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000176547286 1428359325 /nfs/dbraw/zinc/35/93/25/1428359325.db2.gz TZJLBVVNEVAGQH-UHFFFAOYSA-N 1 0 383.452 3.231 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)CC1 ZINC000066838884 1408925345 /nfs/dbraw/zinc/92/53/45/1408925345.db2.gz QTALRQXIEANAHX-UHFFFAOYSA-N 1 0 397.523 3.133 20 30 GGEDRO CCN(C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1)S(C)(=O)=O ZINC000066882531 1408940274 /nfs/dbraw/zinc/94/02/74/1408940274.db2.gz YXFYGPJXAQKYEQ-UHFFFAOYSA-N 1 0 397.544 3.471 20 30 GGEDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000066878492 1408940418 /nfs/dbraw/zinc/94/04/18/1408940418.db2.gz LORHHGRNAAIYCT-UHFFFAOYSA-N 1 0 397.544 3.471 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000176562337 1428364897 /nfs/dbraw/zinc/36/48/97/1428364897.db2.gz VDGVWDYATAVCNQ-MHZLTWQESA-N 1 0 392.569 3.433 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000176553601 1428361760 /nfs/dbraw/zinc/36/17/60/1428361760.db2.gz GYHILNDAPOXAMX-UHFFFAOYSA-N 1 0 385.512 3.058 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000066900067 1408946620 /nfs/dbraw/zinc/94/66/20/1408946620.db2.gz OYLZOLQKLFZLLL-LJQANCHMSA-N 1 0 377.444 3.495 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCNC(=O)c2ccco2)c1 ZINC000066905156 1408947771 /nfs/dbraw/zinc/94/77/71/1408947771.db2.gz DXRPGZPONVZJIX-UHFFFAOYSA-N 1 0 375.428 3.250 20 30 GGEDRO C[C@H]([C@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)N1CCOCC1 ZINC000066906035 1408948623 /nfs/dbraw/zinc/94/86/23/1408948623.db2.gz ROKQBPRCVJQLMC-RBUKOAKNSA-N 1 0 379.504 3.336 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000176556827 1428362666 /nfs/dbraw/zinc/36/26/66/1428362666.db2.gz LYIGWIIOFCJRHP-GOSISDBHSA-N 1 0 388.512 3.334 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000066920094 1408951613 /nfs/dbraw/zinc/95/16/13/1408951613.db2.gz JMQXROBYFDNRGT-UHFFFAOYSA-N 1 0 383.517 3.091 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCC(c3c[nH]c4ccc(OC)cc43)CC2)CC1 ZINC000066922354 1408953103 /nfs/dbraw/zinc/95/31/03/1408953103.db2.gz UUZPCRQOKDPDQR-UHFFFAOYSA-N 1 0 379.504 3.228 20 30 GGEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)o1 ZINC000066944034 1408959321 /nfs/dbraw/zinc/95/93/21/1408959321.db2.gz RHZGRFINBWZSJE-SFHVURJKSA-N 1 0 379.460 3.431 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000176558652 1428363330 /nfs/dbraw/zinc/36/33/30/1428363330.db2.gz GEEUDAPMDAUOSR-UHFFFAOYSA-N 1 0 383.452 3.231 20 30 GGEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)cc1Cl ZINC000066990838 1408974172 /nfs/dbraw/zinc/97/41/72/1408974172.db2.gz YOBDYNDLRPEAHN-UHFFFAOYSA-N 1 0 390.867 3.067 20 30 GGEDRO COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC(F)F ZINC000067011104 1408980003 /nfs/dbraw/zinc/98/00/03/1408980003.db2.gz FCBDWHLOAXHPCS-UHFFFAOYSA-N 1 0 388.418 3.322 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000176577410 1428368737 /nfs/dbraw/zinc/36/87/37/1428368737.db2.gz MTPVFCINBXZUOW-XLIONFOSSA-N 1 0 378.476 3.051 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000176577454 1428369004 /nfs/dbraw/zinc/36/90/04/1428369004.db2.gz MTPVFCINBXZUOW-FXAWDEMLSA-N 1 0 378.476 3.051 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000067204506 1409041376 /nfs/dbraw/zinc/04/13/76/1409041376.db2.gz KZGLHORMNVDYPI-LJQANCHMSA-N 1 0 393.487 3.245 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000067318466 1409071336 /nfs/dbraw/zinc/07/13/36/1409071336.db2.gz HBQGCNPZMIIYRQ-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000067324100 1409073280 /nfs/dbraw/zinc/07/32/80/1409073280.db2.gz YZRBQEMUYUJULS-SFHVURJKSA-N 1 0 399.516 3.205 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000067324081 1409073422 /nfs/dbraw/zinc/07/34/22/1409073422.db2.gz UMRNVJUKOLLVQN-OAQYLSRUSA-N 1 0 393.487 3.143 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000067324101 1409073502 /nfs/dbraw/zinc/07/35/02/1409073502.db2.gz YZRBQEMUYUJULS-GOSISDBHSA-N 1 0 399.516 3.205 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000067347231 1409080067 /nfs/dbraw/zinc/08/00/67/1409080067.db2.gz JUKQJVWALJXIGF-HDICACEKSA-N 1 0 387.524 3.064 20 30 GGEDRO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000067377581 1409092620 /nfs/dbraw/zinc/09/26/20/1409092620.db2.gz ANHPTKVJVHRHPZ-GOSISDBHSA-N 1 0 385.508 3.185 20 30 GGEDRO C[NH+]=C(NCc1c(C)noc1C)NCC1(c2ccccc2Br)CC1 ZINC000176596179 1428374930 /nfs/dbraw/zinc/37/49/30/1428374930.db2.gz VLUUABMDMIVPIR-UHFFFAOYSA-N 1 0 391.313 3.451 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401030 1409103528 /nfs/dbraw/zinc/10/35/28/1409103528.db2.gz JYSNRSRXDPOISD-MGPUTAFESA-N 1 0 377.916 3.094 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401032 1409104408 /nfs/dbraw/zinc/10/44/08/1409104408.db2.gz JYSNRSRXDPOISD-YWZLYKJASA-N 1 0 377.916 3.094 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000067497881 1409137775 /nfs/dbraw/zinc/13/77/75/1409137775.db2.gz QJVIZRKSESGTOK-HDICACEKSA-N 1 0 387.524 3.064 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000067498509 1409138377 /nfs/dbraw/zinc/13/83/77/1409138377.db2.gz QBXBSCJHJQMWQZ-GOSISDBHSA-N 1 0 387.524 3.351 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000067557511 1409160853 /nfs/dbraw/zinc/16/08/53/1409160853.db2.gz FCFJUTCTHJONGR-OAQYLSRUSA-N 1 0 395.503 3.308 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000067578000 1409173552 /nfs/dbraw/zinc/17/35/52/1409173552.db2.gz IQUQCYJUMUJOSW-DLBZAZTESA-N 1 0 390.553 3.295 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000067719448 1409214669 /nfs/dbraw/zinc/21/46/69/1409214669.db2.gz YLFXRKNQSYDQGJ-UHFFFAOYSA-N 1 0 390.443 3.260 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000067735699 1409217220 /nfs/dbraw/zinc/21/72/20/1409217220.db2.gz MODYIPWOXMLUTQ-SFHVURJKSA-N 1 0 384.524 3.353 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1 ZINC000067842395 1409242414 /nfs/dbraw/zinc/24/24/14/1409242414.db2.gz ZIGXHBDTLUOUCL-UHFFFAOYSA-N 1 0 385.471 3.257 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)C ZINC000068128210 1409309506 /nfs/dbraw/zinc/30/95/06/1409309506.db2.gz KGIBQVYMXFXSEP-RBUKOAKNSA-N 1 0 377.573 3.086 20 30 GGEDRO CCC[NH+]1CCC(N(C)C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000068304047 1409358086 /nfs/dbraw/zinc/35/80/86/1409358086.db2.gz WOPAPCCDTAKVIA-UHFFFAOYSA-N 1 0 384.524 3.046 20 30 GGEDRO CC(C)c1ncc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)n1 ZINC000068310001 1409360450 /nfs/dbraw/zinc/36/04/50/1409360450.db2.gz WTKGHDPWKDBEPQ-UHFFFAOYSA-N 1 0 385.899 3.329 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccnc1N1CCCC1 ZINC000068372785 1409383030 /nfs/dbraw/zinc/38/30/30/1409383030.db2.gz VSPRRCGUGAPQLB-UHFFFAOYSA-N 1 0 392.507 3.149 20 30 GGEDRO CC(=O)c1cccc(O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000068733374 1409482185 /nfs/dbraw/zinc/48/21/85/1409482185.db2.gz YMUJAWYUPBNQCJ-SFHVURJKSA-N 1 0 393.487 3.119 20 30 GGEDRO CC(=O)c1cccc(O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000068791438 1409493692 /nfs/dbraw/zinc/49/36/92/1409493692.db2.gz QXKNBLRAWRSWKJ-SFHVURJKSA-N 1 0 393.487 3.119 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2cccnc2)cc1 ZINC000068866364 1409511291 /nfs/dbraw/zinc/51/12/91/1409511291.db2.gz JMWFRBWIVZXQQR-UHFFFAOYSA-O 1 0 376.505 3.449 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC1CCOCC1)[n+]1cccc(C)c1 ZINC000068866383 1409511379 /nfs/dbraw/zinc/51/13/79/1409511379.db2.gz BDXHTQNDHDGCRO-UHFFFAOYSA-O 1 0 399.536 3.307 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)CCCCC#N)cc2)C1 ZINC000068881212 1409514359 /nfs/dbraw/zinc/51/43/59/1409514359.db2.gz IAGLCCKCTKWLGW-HDICACEKSA-N 1 0 377.554 3.278 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCCCC#N ZINC000068901310 1409520992 /nfs/dbraw/zinc/52/09/92/1409520992.db2.gz YMHKZJIOQCTLPE-UHFFFAOYSA-N 1 0 391.459 3.093 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccccc3)c(C(=O)OCC)s2)CC1 ZINC000068919422 1409524685 /nfs/dbraw/zinc/52/46/85/1409524685.db2.gz HMNKUSYEOUWAJI-UHFFFAOYSA-N 1 0 397.500 3.271 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000068958051 1409532208 /nfs/dbraw/zinc/53/22/08/1409532208.db2.gz SWTCSVRLWCLQQO-GOSISDBHSA-N 1 0 386.496 3.266 20 30 GGEDRO Cc1ccccc1C[N@H+]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000068968349 1409535689 /nfs/dbraw/zinc/53/56/89/1409535689.db2.gz YRXJHALPLKEOGA-FQEVSTJZSA-N 1 0 382.552 3.234 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3cccnc3)C2)c(F)c1 ZINC000068991015 1409538120 /nfs/dbraw/zinc/53/81/20/1409538120.db2.gz XVQVYZNOYMXZSO-SFHVURJKSA-N 1 0 376.439 3.241 20 30 GGEDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc2c1OCCO2 ZINC000068991385 1409538577 /nfs/dbraw/zinc/53/85/77/1409538577.db2.gz DYEKRVBBEHIKMJ-KRWDZBQOSA-N 1 0 397.450 3.236 20 30 GGEDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2ccncc2)n1 ZINC000068991361 1409538600 /nfs/dbraw/zinc/53/86/00/1409538600.db2.gz NOWMRBNFWBQDLH-IBGZPJMESA-N 1 0 390.466 3.251 20 30 GGEDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(OC)c1OC ZINC000068991474 1409538620 /nfs/dbraw/zinc/53/86/20/1409538620.db2.gz LEYZZGGLPQBXED-KRWDZBQOSA-N 1 0 399.466 3.482 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3N3CCOCC3)C2)c(F)c1 ZINC000068991363 1409538813 /nfs/dbraw/zinc/53/88/13/1409538813.db2.gz SMXSHUBNTCGIGD-HXUWFJFHSA-N 1 0 394.494 3.293 20 30 GGEDRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068991430 1409538867 /nfs/dbraw/zinc/53/88/67/1409538867.db2.gz RGWISPHBEVEKCX-KRWDZBQOSA-N 1 0 399.466 3.482 20 30 GGEDRO CN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2ccccc21 ZINC000069088738 1409562207 /nfs/dbraw/zinc/56/22/07/1409562207.db2.gz MLSGKYBAULALPP-UHFFFAOYSA-N 1 0 380.517 3.389 20 30 GGEDRO C=C(Br)CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000069245505 1409591742 /nfs/dbraw/zinc/59/17/42/1409591742.db2.gz UUGPICJETYGICL-MRXNPFEDSA-N 1 0 382.302 3.040 20 30 GGEDRO C=C(Br)CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000069245506 1409591825 /nfs/dbraw/zinc/59/18/25/1409591825.db2.gz UUGPICJETYGICL-INIZCTEOSA-N 1 0 382.302 3.040 20 30 GGEDRO CC(C)(CNC(=O)NCc1ccc(OCC#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000069262053 1409597311 /nfs/dbraw/zinc/59/73/11/1409597311.db2.gz ZLIRJUUDZGBEGN-UHFFFAOYSA-N 1 0 392.503 3.225 20 30 GGEDRO N#CCOc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000069282490 1409603522 /nfs/dbraw/zinc/60/35/22/1409603522.db2.gz FMCJSCAGHHOBHL-HXUWFJFHSA-N 1 0 378.476 3.053 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000069306613 1409610562 /nfs/dbraw/zinc/61/05/62/1409610562.db2.gz BXLYBNXWCIHACU-UHFFFAOYSA-N 1 0 398.532 3.362 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000069305187 1409610632 /nfs/dbraw/zinc/61/06/32/1409610632.db2.gz PLRWCINYEYMDBQ-UHFFFAOYSA-N 1 0 384.524 3.433 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000069314804 1409612067 /nfs/dbraw/zinc/61/20/67/1409612067.db2.gz JWKXMOKKJXGSNA-UHFFFAOYSA-N 1 0 380.492 3.382 20 30 GGEDRO C#CCOc1cccc(NC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000069343442 1409618340 /nfs/dbraw/zinc/61/83/40/1409618340.db2.gz VHNHPWYOYMQNLE-HDICACEKSA-N 1 0 385.508 3.052 20 30 GGEDRO C#CCOc1cccc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000069343450 1409618512 /nfs/dbraw/zinc/61/85/12/1409618512.db2.gz VHNHPWYOYMQNLE-QZTJIDSGSA-N 1 0 385.508 3.052 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000069417158 1409632063 /nfs/dbraw/zinc/63/20/63/1409632063.db2.gz AIWLGRZPJRGSNX-NRFANRHFSA-N 1 0 386.540 3.227 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000069520777 1409647767 /nfs/dbraw/zinc/64/77/67/1409647767.db2.gz CFDJIOOVMDFEIH-LADGPHEKSA-N 1 0 394.515 3.462 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(CS(C)(=O)=O)cc1)C(C)C ZINC000069619075 1409665141 /nfs/dbraw/zinc/66/51/41/1409665141.db2.gz IWWYRTYHBNKXIZ-LJQANCHMSA-N 1 0 393.553 3.051 20 30 GGEDRO COc1cc(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)ccc1SC ZINC000069687383 1409675124 /nfs/dbraw/zinc/67/51/24/1409675124.db2.gz ZMEFGHDQWYJCRB-GOSISDBHSA-N 1 0 386.517 3.355 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000069726094 1409684494 /nfs/dbraw/zinc/68/44/94/1409684494.db2.gz MWQOQQXMIUEQLN-LJQANCHMSA-N 1 0 382.464 3.208 20 30 GGEDRO C=CCc1cc(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)cc(OC)c1OC ZINC000069822750 1409708724 /nfs/dbraw/zinc/70/87/24/1409708724.db2.gz USMVFOHAEOMIBH-UHFFFAOYSA-N 1 0 375.513 3.058 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000069828286 1409711149 /nfs/dbraw/zinc/71/11/49/1409711149.db2.gz KLNHNFDTURQUEO-UHFFFAOYSA-N 1 0 384.455 3.001 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000069828953 1409711739 /nfs/dbraw/zinc/71/17/39/1409711739.db2.gz FFIVIABSPIDPJC-UHFFFAOYSA-N 1 0 384.455 3.001 20 30 GGEDRO C=CC[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)CC1CCCCC1 ZINC000069859756 1409716047 /nfs/dbraw/zinc/71/60/47/1409716047.db2.gz ALJKFLYKLUWTFO-UHFFFAOYSA-N 1 0 375.538 3.271 20 30 GGEDRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)Nc1ccccc1C#N ZINC000069874203 1409719533 /nfs/dbraw/zinc/71/95/33/1409719533.db2.gz BJRZOELTIFKTFW-QGZVFWFLSA-N 1 0 386.565 3.227 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccc(F)cc3F)CC2)cc1 ZINC000069956939 1409731020 /nfs/dbraw/zinc/73/10/20/1409731020.db2.gz MUBCIBVVOHHLGU-UHFFFAOYSA-N 1 0 398.457 3.296 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000176714944 1428428475 /nfs/dbraw/zinc/42/84/75/1428428475.db2.gz GGQICVPSTMDYFP-SCLBCKFNSA-N 1 0 394.500 3.424 20 30 GGEDRO COc1ccc(C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000070787664 1409775287 /nfs/dbraw/zinc/77/52/87/1409775287.db2.gz AQKFLMCSPCTWBF-HTAPYJJXSA-N 1 0 395.503 3.338 20 30 GGEDRO COC(=O)[C@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000176715468 1428429689 /nfs/dbraw/zinc/42/96/89/1428429689.db2.gz WGAWIHKOJGGLAG-OAQYLSRUSA-N 1 0 377.488 3.199 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2CCO)sc2c1CCCCC2 ZINC000070823661 1409784699 /nfs/dbraw/zinc/78/46/99/1409784699.db2.gz WFZXVRAWONQWLO-OAHLLOKOSA-N 1 0 375.538 3.454 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000070877816 1409797433 /nfs/dbraw/zinc/79/74/33/1409797433.db2.gz OMPYTEBSQULBEB-UHFFFAOYSA-N 1 0 398.551 3.101 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000071811501 1409824913 /nfs/dbraw/zinc/82/49/13/1409824913.db2.gz DPEBGYAKACVTOU-UHFFFAOYSA-N 1 0 385.508 3.251 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccccc1C#N)c1cccc(OC)c1 ZINC000071813900 1409825271 /nfs/dbraw/zinc/82/52/71/1409825271.db2.gz MJKABEDIDYIEDY-HXUWFJFHSA-N 1 0 381.476 3.145 20 30 GGEDRO Cc1cc(N2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)nc(C(C)C)n1 ZINC000071951302 1409832866 /nfs/dbraw/zinc/83/28/66/1409832866.db2.gz FSTBCVWXKNJXIU-UHFFFAOYSA-N 1 0 379.508 3.371 20 30 GGEDRO CC[NH+](CC)CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000072000286 1409835649 /nfs/dbraw/zinc/83/56/49/1409835649.db2.gz JJKVSNHNFOWBIP-UHFFFAOYSA-N 1 0 379.464 3.274 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176721536 1428434006 /nfs/dbraw/zinc/43/40/06/1428434006.db2.gz KKIIEPNPKNVVNY-FXAWDEMLSA-N 1 0 393.487 3.115 20 30 GGEDRO CCN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@@H](C)C#N ZINC000072076058 1409846422 /nfs/dbraw/zinc/84/64/22/1409846422.db2.gz ZJEBMCIDIRWYQF-LPHOPBHVSA-N 1 0 376.932 3.075 20 30 GGEDRO C[C@@H]1CCC[C@@H](C)N1C(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000072085467 1409847408 /nfs/dbraw/zinc/84/74/08/1409847408.db2.gz LKRSQMSCXMCWSM-QZTJIDSGSA-N 1 0 386.540 3.099 20 30 GGEDRO C[C@@H]1CCC[C@H](C)N1C(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000072085465 1409847429 /nfs/dbraw/zinc/84/74/29/1409847429.db2.gz LKRSQMSCXMCWSM-HDICACEKSA-N 1 0 386.540 3.099 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(CCC#N)CCC(C)C)CC1 ZINC000072692344 1409852461 /nfs/dbraw/zinc/85/24/61/1409852461.db2.gz GQTVMIAPAHJIFK-UHFFFAOYSA-N 1 0 384.568 3.337 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000072719521 1409852714 /nfs/dbraw/zinc/85/27/14/1409852714.db2.gz INPUMJOBVXOLJF-OAQYLSRUSA-N 1 0 382.552 3.358 20 30 GGEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000072895701 1409854933 /nfs/dbraw/zinc/85/49/33/1409854933.db2.gz MZPPXYARLVFXKH-MOPGFXCFSA-N 1 0 376.504 3.482 20 30 GGEDRO C[C@H]1CCN(CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000072895657 1409854977 /nfs/dbraw/zinc/85/49/77/1409854977.db2.gz WVGSGCDTUCZTOW-IBGZPJMESA-N 1 0 376.504 3.483 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CCC(Cc2ccccc2)CC1 ZINC000073065116 1409857371 /nfs/dbraw/zinc/85/73/71/1409857371.db2.gz ORRPWQQFKCAAIZ-UHFFFAOYSA-N 1 0 380.540 3.035 20 30 GGEDRO C[C@@H](C(=O)N(C)c1ccccc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000073396953 1409860462 /nfs/dbraw/zinc/86/04/62/1409860462.db2.gz IHVJEDALFIPBOO-IBGZPJMESA-N 1 0 376.504 3.117 20 30 GGEDRO C=CCc1cc(CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc(OC)c1OC ZINC000073938195 1409867692 /nfs/dbraw/zinc/86/76/92/1409867692.db2.gz ZDGCFNZZTPEPAG-GOSISDBHSA-N 1 0 375.513 3.058 20 30 GGEDRO CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322280 1409871472 /nfs/dbraw/zinc/87/14/72/1409871472.db2.gz REVWPXNFEAVDJQ-UHFFFAOYSA-N 1 0 382.552 3.268 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000074621087 1409873756 /nfs/dbraw/zinc/87/37/56/1409873756.db2.gz COMJTBSWUIZONI-GMAHTHKFSA-N 1 0 376.504 3.362 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000074621091 1409873969 /nfs/dbraw/zinc/87/39/69/1409873969.db2.gz COMJTBSWUIZONI-FYYLOGMGSA-N 1 0 376.504 3.362 20 30 GGEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000075814466 1409883253 /nfs/dbraw/zinc/88/32/53/1409883253.db2.gz PKRWOGVNNOCLIE-UHFFFAOYSA-N 1 0 376.504 3.407 20 30 GGEDRO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000076969621 1409892627 /nfs/dbraw/zinc/89/26/27/1409892627.db2.gz ZFTGTSYKJGMPNK-LJQANCHMSA-N 1 0 376.504 3.117 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1ccccc1C#N ZINC000077371988 1409896018 /nfs/dbraw/zinc/89/60/18/1409896018.db2.gz MQCHYYKRSURBRC-LJQANCHMSA-N 1 0 376.504 3.483 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077622342 1409898258 /nfs/dbraw/zinc/89/82/58/1409898258.db2.gz MPEFEOBEGWUCMU-QGZVFWFLSA-N 1 0 375.488 3.024 20 30 GGEDRO C=CCSCCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000077831379 1409903203 /nfs/dbraw/zinc/90/32/03/1409903203.db2.gz LQIATJZJDPHRHL-HNNXBMFYSA-N 1 0 375.538 3.021 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000078486102 1409920382 /nfs/dbraw/zinc/92/03/82/1409920382.db2.gz KSJJZJOGFSIHPQ-QFIPXVFZSA-N 1 0 376.504 3.490 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000078533552 1409923463 /nfs/dbraw/zinc/92/34/63/1409923463.db2.gz PEICAUABGBPQMX-UHFFFAOYSA-N 1 0 376.932 3.212 20 30 GGEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000078516658 1409924132 /nfs/dbraw/zinc/92/41/32/1409924132.db2.gz OJEAGVNTMGMCEB-IBGZPJMESA-N 1 0 382.552 3.314 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000078602568 1409928222 /nfs/dbraw/zinc/92/82/22/1409928222.db2.gz MWVPRGWHRITUFG-UHFFFAOYSA-N 1 0 381.524 3.329 20 30 GGEDRO CC[NH+](CC)CCN(CC(=O)NC1(C#N)CCCCC1)Cc1cccs1 ZINC000078662266 1409932463 /nfs/dbraw/zinc/93/24/63/1409932463.db2.gz VFMHVUMYQUCKQT-UHFFFAOYSA-N 1 0 376.570 3.235 20 30 GGEDRO COC1CC[NH+](CCNC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000079803715 1409989645 /nfs/dbraw/zinc/98/96/45/1409989645.db2.gz AMCVMRCJMLIWNZ-OAHLLOKOSA-N 1 0 376.526 3.171 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)CC1 ZINC000089215763 1410052485 /nfs/dbraw/zinc/05/24/85/1410052485.db2.gz QZZPSDRVTCPYCK-UHFFFAOYSA-N 1 0 378.520 3.107 20 30 GGEDRO C[C@@H](O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089929380 1410059458 /nfs/dbraw/zinc/05/94/58/1410059458.db2.gz ZGOIIBBVDFSFEB-HUUCEWRRSA-N 1 0 375.538 3.310 20 30 GGEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000091456196 1410073814 /nfs/dbraw/zinc/07/38/14/1410073814.db2.gz PENGFIAKCGONFG-UHFFFAOYSA-N 1 0 376.932 3.132 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091864206 1410087530 /nfs/dbraw/zinc/08/75/30/1410087530.db2.gz BRBWMDCERIZKRB-LJQANCHMSA-N 1 0 384.451 3.118 20 30 GGEDRO CC(C)[NH+](CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C(C)C ZINC000092148510 1410112773 /nfs/dbraw/zinc/11/27/73/1410112773.db2.gz VDFNEVTZQHPLKP-UHFFFAOYSA-N 1 0 387.528 3.061 20 30 GGEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000092168628 1410116826 /nfs/dbraw/zinc/11/68/26/1410116826.db2.gz OXRQLVCIQNQPBT-BEEJXANESA-N 1 0 399.539 3.063 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000092189174 1410118682 /nfs/dbraw/zinc/11/86/82/1410118682.db2.gz UWFNHRNVXCDZEX-NRFANRHFSA-N 1 0 390.487 3.127 20 30 GGEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092195196 1410119806 /nfs/dbraw/zinc/11/98/06/1410119806.db2.gz QBNQQCPCNQPJMS-NXMBOHNASA-N 1 0 399.539 3.063 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccncc1 ZINC000092375830 1410145376 /nfs/dbraw/zinc/14/53/76/1410145376.db2.gz NPSBCNQJWJZRHE-UHFFFAOYSA-N 1 0 379.508 3.004 20 30 GGEDRO COC(=O)[C@@H](NCC1([NH+]2CCSCC2)CCCCC1)c1cccc(C#N)c1 ZINC000176785319 1428460473 /nfs/dbraw/zinc/46/04/73/1428460473.db2.gz CJFDNFMVYYIJPO-IBGZPJMESA-N 1 0 387.549 3.114 20 30 GGEDRO C#CCOc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000092534676 1410167952 /nfs/dbraw/zinc/16/79/52/1410167952.db2.gz IPDQSOPYYQSPPJ-UHFFFAOYSA-N 1 0 376.500 3.366 20 30 GGEDRO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1OC ZINC000092585615 1410175383 /nfs/dbraw/zinc/17/53/83/1410175383.db2.gz OWXFOXCZSGCVKD-HNNXBMFYSA-N 1 0 390.505 3.100 20 30 GGEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000092619191 1410180911 /nfs/dbraw/zinc/18/09/11/1410180911.db2.gz XMHCJPROTNPKQV-QFIPXVFZSA-N 1 0 390.531 3.058 20 30 GGEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000092644521 1410182556 /nfs/dbraw/zinc/18/25/56/1410182556.db2.gz JYZDMHZCNZNYDR-UHFFFAOYSA-N 1 0 382.529 3.331 20 30 GGEDRO C=CCOc1ccc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1OC ZINC000092665465 1410184669 /nfs/dbraw/zinc/18/46/69/1410184669.db2.gz WNQNFBUDJJJAHH-WOJBJXKFSA-N 1 0 387.568 3.250 20 30 GGEDRO COCCOc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000092854289 1410205731 /nfs/dbraw/zinc/20/57/31/1410205731.db2.gz JLHQRZKKLHDHGI-UHFFFAOYSA-N 1 0 381.476 3.458 20 30 GGEDRO Cn1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(-c2ccncc2)n1 ZINC000092854135 1410205889 /nfs/dbraw/zinc/20/58/89/1410205889.db2.gz BXQIRDSUJGXMST-UHFFFAOYSA-N 1 0 388.475 3.229 20 30 GGEDRO CC(C)(C)C(=O)N1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092854301 1410206251 /nfs/dbraw/zinc/20/62/51/1410206251.db2.gz KRSALZUCWREGAW-UHFFFAOYSA-N 1 0 384.524 3.270 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000093104918 1410222380 /nfs/dbraw/zinc/22/23/80/1410222380.db2.gz AUMDFVQMCVAZLI-NRFANRHFSA-N 1 0 392.547 3.227 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](CC(C)(C)CCC#N)C(C)C)cc1 ZINC000093149243 1410226418 /nfs/dbraw/zinc/22/64/18/1410226418.db2.gz KTAALXDEBZBJDX-LJQANCHMSA-N 1 0 375.513 3.425 20 30 GGEDRO C[N@H+](CCCO)C1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000093412981 1410243797 /nfs/dbraw/zinc/24/37/97/1410243797.db2.gz OCLGPOSIVLBNNS-UHFFFAOYSA-N 1 0 393.531 3.416 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)c2)c1 ZINC000093665057 1410258669 /nfs/dbraw/zinc/25/86/69/1410258669.db2.gz BHZCWHDKUZFOCC-QHCPKHFHSA-N 1 0 391.515 3.291 20 30 GGEDRO N#Cc1cccc(COc2cccc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)c2)c1 ZINC000093817891 1410271225 /nfs/dbraw/zinc/27/12/25/1410271225.db2.gz NVOUPIJBZVBSME-QHCPKHFHSA-N 1 0 391.515 3.291 20 30 GGEDRO N#Cc1ccsc1N1CC[C@@H](Nc2cccc(CC[NH+]3CCCC3)c2)C1=O ZINC000093919555 1410285505 /nfs/dbraw/zinc/28/55/05/1410285505.db2.gz JZONDXWMRRGEDT-LJQANCHMSA-N 1 0 380.517 3.475 20 30 GGEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000097257942 1410361100 /nfs/dbraw/zinc/36/11/00/1410361100.db2.gz OWHIORIGLYOQKQ-ZDUSSCGKSA-N 1 0 384.402 3.353 20 30 GGEDRO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000176817056 1428479932 /nfs/dbraw/zinc/47/99/32/1428479932.db2.gz ALSZTNGXQJQQCL-VXKWHMMOSA-N 1 0 398.551 3.227 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000098028813 1410397181 /nfs/dbraw/zinc/39/71/81/1410397181.db2.gz MLQFVCUNCUHEQA-SFHVURJKSA-N 1 0 384.524 3.354 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000098093238 1410409956 /nfs/dbraw/zinc/40/99/56/1410409956.db2.gz OPKDTGKYLJGKRF-HSZRJFAPSA-N 1 0 391.515 3.445 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)NCC(F)(F)F)cc1 ZINC000101534980 1410453152 /nfs/dbraw/zinc/45/31/52/1410453152.db2.gz NWLITLNHBCDHRJ-UHFFFAOYSA-O 1 0 395.426 3.308 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NCC(F)(F)F)c1 ZINC000101535042 1410453235 /nfs/dbraw/zinc/45/32/35/1410453235.db2.gz ZSLRZSYRQIUWJN-UHFFFAOYSA-O 1 0 398.386 3.281 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NCC(F)(F)F)cc1 ZINC000101535177 1410453277 /nfs/dbraw/zinc/45/32/77/1410453277.db2.gz HKQMOEIFOARVNW-UHFFFAOYSA-O 1 0 398.386 3.281 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000101567197 1410467838 /nfs/dbraw/zinc/46/78/38/1410467838.db2.gz KYSGJTQOXIYLKB-UHFFFAOYSA-N 1 0 392.459 3.094 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000101607924 1410477619 /nfs/dbraw/zinc/47/76/19/1410477619.db2.gz UUSUFFKBFIZYME-LJQANCHMSA-N 1 0 383.540 3.044 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000101748013 1410498672 /nfs/dbraw/zinc/49/86/72/1410498672.db2.gz KRRUSVHFUGTAGB-LJQANCHMSA-N 1 0 396.491 3.462 20 30 GGEDRO C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000101784917 1410502136 /nfs/dbraw/zinc/50/21/36/1410502136.db2.gz OUQYDIIGETVCBV-INIZCTEOSA-N 1 0 395.482 3.010 20 30 GGEDRO C[C@@H](NC(=O)NCc1ccc(C#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000101784920 1410502339 /nfs/dbraw/zinc/50/23/39/1410502339.db2.gz OUQYDIIGETVCBV-MRXNPFEDSA-N 1 0 395.482 3.010 20 30 GGEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176832141 1428491587 /nfs/dbraw/zinc/49/15/87/1428491587.db2.gz IVXMBKTYJISNRZ-JOCHJYFZSA-N 1 0 389.499 3.272 20 30 GGEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176832128 1428491686 /nfs/dbraw/zinc/49/16/86/1428491686.db2.gz IVXMBKTYJISNRZ-QFIPXVFZSA-N 1 0 389.499 3.272 20 30 GGEDRO C[NH+](C)CCCCCCCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000102001672 1410540677 /nfs/dbraw/zinc/54/06/77/1410540677.db2.gz SZVATAQMYVZZQS-UHFFFAOYSA-N 1 0 389.519 3.041 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccco1 ZINC000102006180 1410542731 /nfs/dbraw/zinc/54/27/31/1410542731.db2.gz PYRPPJNOCOWZKR-FQEVSTJZSA-N 1 0 395.507 3.066 20 30 GGEDRO CC(C)[N@H+](C)CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000102061084 1410551066 /nfs/dbraw/zinc/55/10/66/1410551066.db2.gz GWCSALYEAVRFMX-UHFFFAOYSA-N 1 0 379.464 3.272 20 30 GGEDRO CC[N@H+](CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CC1 ZINC000102065870 1410552253 /nfs/dbraw/zinc/55/22/53/1410552253.db2.gz YHAWYZOWGPHGOR-UHFFFAOYSA-N 1 0 391.475 3.416 20 30 GGEDRO C#Cc1cccc(NC(=S)C(C(=O)c2ccccc2)[n+]2cccc(CO)c2)c1 ZINC000102387561 1410617762 /nfs/dbraw/zinc/61/77/62/1410617762.db2.gz WZEQBTAOBZUKLV-UHFFFAOYSA-O 1 0 387.484 3.499 20 30 GGEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccc(C(N)=O)cc2)[n+]2ccccc2)s1 ZINC000102387362 1410618053 /nfs/dbraw/zinc/61/80/53/1410618053.db2.gz CDOPARARZNTWMI-UHFFFAOYSA-O 1 0 396.517 3.494 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C(N)=O)cc2)[n+]2ccccc2)c(C)[nH]1 ZINC000102387365 1410618172 /nfs/dbraw/zinc/61/81/72/1410618172.db2.gz PHIRCUMFIWDOLJ-UHFFFAOYSA-O 1 0 393.492 3.069 20 30 GGEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000102390804 1410619038 /nfs/dbraw/zinc/61/90/38/1410619038.db2.gz NTWKDYWNXLKLDI-OAQYLSRUSA-N 1 0 388.471 3.426 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102400975 1410621925 /nfs/dbraw/zinc/62/19/25/1410621925.db2.gz GUSKWBZZGFTJEZ-KRWDZBQOSA-N 1 0 386.471 3.480 20 30 GGEDRO N#Cc1ccc(CC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000176849900 1428500244 /nfs/dbraw/zinc/50/02/44/1428500244.db2.gz TXRLIIPORWEKMY-UHFFFAOYSA-N 1 0 391.515 3.288 20 30 GGEDRO COc1ccc(-c2noc(CO/[NH+]=C/c3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000102701922 1410705521 /nfs/dbraw/zinc/70/55/21/1410705521.db2.gz KAUBAALOLORCMV-HYARGMPZSA-N 1 0 394.431 3.133 20 30 GGEDRO C[NH+](C)CCc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 ZINC000102731367 1410715756 /nfs/dbraw/zinc/71/57/56/1410715756.db2.gz IXZOIFYSCAUJEY-UHFFFAOYSA-N 1 0 399.516 3.120 20 30 GGEDRO COCCC[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3cccc(C#N)c3)c2C1 ZINC000102779378 1410746435 /nfs/dbraw/zinc/74/64/35/1410746435.db2.gz URNSGVKYKOUZQT-INIZCTEOSA-N 1 0 378.476 3.349 20 30 GGEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)o2)cc1 ZINC000102792387 1410759307 /nfs/dbraw/zinc/75/93/07/1410759307.db2.gz DNLODCTXJPHEEO-SFHVURJKSA-N 1 0 379.460 3.431 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2COc3c(cccc3OC)C2)cc1OCCCC#N ZINC000102939316 1410810243 /nfs/dbraw/zinc/81/02/43/1410810243.db2.gz DBWIFGJBAFLVMS-GOSISDBHSA-N 1 0 382.460 3.480 20 30 GGEDRO COCCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 ZINC000102941504 1410810543 /nfs/dbraw/zinc/81/05/43/1410810543.db2.gz VWZQEMKQQPRVEL-UHFFFAOYSA-N 1 0 394.519 3.197 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(C#N)cc1 ZINC000102990366 1410817336 /nfs/dbraw/zinc/81/73/36/1410817336.db2.gz OZGUYXXTEIRKAD-UHFFFAOYSA-N 1 0 378.501 3.112 20 30 GGEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103185054 1410835522 /nfs/dbraw/zinc/83/55/22/1410835522.db2.gz JDPVMXVDHVWCGM-JOCHJYFZSA-N 1 0 376.504 3.264 20 30 GGEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103185057 1410835615 /nfs/dbraw/zinc/83/56/15/1410835615.db2.gz UKAWOZUCQIHBRT-JOCHJYFZSA-N 1 0 376.504 3.264 20 30 GGEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000103206175 1410837374 /nfs/dbraw/zinc/83/73/74/1410837374.db2.gz JBXLTXUNBFJXHE-SFHVURJKSA-N 1 0 392.503 3.106 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000103469844 1410861324 /nfs/dbraw/zinc/86/13/24/1410861324.db2.gz IUVYRSRBNJPVTA-UHFFFAOYSA-N 1 0 391.475 3.173 20 30 GGEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)cc1 ZINC000103471402 1410861382 /nfs/dbraw/zinc/86/13/82/1410861382.db2.gz RBQKDADIYLTCED-UHFFFAOYSA-N 1 0 397.482 3.041 20 30 GGEDRO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000103479155 1410862249 /nfs/dbraw/zinc/86/22/49/1410862249.db2.gz SDZPYYZONCHYJE-LJQANCHMSA-N 1 0 386.293 3.176 20 30 GGEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000176918967 1428520071 /nfs/dbraw/zinc/52/00/71/1428520071.db2.gz RRXYDSQNDMIQIH-NRFANRHFSA-N 1 0 381.476 3.437 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000103759408 1410873477 /nfs/dbraw/zinc/87/34/77/1410873477.db2.gz BHBQEYJKBWHHEL-UHFFFAOYSA-N 1 0 391.450 3.087 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000103859474 1410877500 /nfs/dbraw/zinc/87/75/00/1410877500.db2.gz LOVJYAKFYAJFHP-OALUTQOASA-N 1 0 398.551 3.479 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000104058929 1410883548 /nfs/dbraw/zinc/88/35/48/1410883548.db2.gz IVAPESGVFQFHCK-OAQYLSRUSA-N 1 0 385.487 3.135 20 30 GGEDRO CC1([N@H+](CC(=O)N(CCC#N)CCC#N)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000104078894 1410883873 /nfs/dbraw/zinc/88/38/73/1410883873.db2.gz AVRDDVKQILXHOA-UHFFFAOYSA-N 1 0 396.491 3.206 20 30 GGEDRO CCNC(=O)c1ccc(CNC(=[NH2+])Nc2cc(OCC)ccc2OCC)cc1 ZINC000104163332 1410885864 /nfs/dbraw/zinc/88/58/64/1410885864.db2.gz GIVFRWBJEDHHEU-UHFFFAOYSA-N 1 0 384.480 3.161 20 30 GGEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2ccccc2OC)N2CCCC2)c1 ZINC000104155185 1410885868 /nfs/dbraw/zinc/88/58/68/1410885868.db2.gz FGHHZXGKSXUAOB-IBGZPJMESA-N 1 0 398.507 3.276 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCC2(c3cc(C)ccc3OC)CCOCC2)cc1 ZINC000104179355 1410886226 /nfs/dbraw/zinc/88/62/26/1410886226.db2.gz POGPHZLVDCCSFO-UHFFFAOYSA-N 1 0 383.492 3.487 20 30 GGEDRO [NH2+]=C(NCc1ccccc1N1CCOCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104171244 1410886264 /nfs/dbraw/zinc/88/62/64/1410886264.db2.gz MRPHRGIAWQWKCK-UHFFFAOYSA-N 1 0 394.397 3.349 20 30 GGEDRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])Nc2ccc(C)cc2)s1 ZINC000104193993 1410886578 /nfs/dbraw/zinc/88/65/78/1410886578.db2.gz WVOAOFFRELWJQI-UHFFFAOYSA-N 1 0 394.566 3.056 20 30 GGEDRO CC[NH+](CC)[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000104895345 1410992287 /nfs/dbraw/zinc/99/22/87/1410992287.db2.gz NJMFJZQYGHFMTE-QFIPXVFZSA-N 1 0 391.519 3.121 20 30 GGEDRO C=CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000104924974 1411001213 /nfs/dbraw/zinc/00/12/13/1411001213.db2.gz PJZKGRHPYADJFJ-UHFFFAOYSA-N 1 0 380.488 3.138 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)c1 ZINC000104963051 1411004432 /nfs/dbraw/zinc/00/44/32/1411004432.db2.gz VIHIZVOZLPVMJN-QGZVFWFLSA-N 1 0 386.879 3.495 20 30 GGEDRO N#Cc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000104999347 1411011259 /nfs/dbraw/zinc/01/12/59/1411011259.db2.gz RYRVKMVDZRLUNW-OAHLLOKOSA-N 1 0 382.386 3.201 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2C)C(C)C ZINC000105052474 1411021806 /nfs/dbraw/zinc/02/18/06/1411021806.db2.gz BTNIIQZPWHNPJC-HXUWFJFHSA-N 1 0 384.524 3.416 20 30 GGEDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000176967747 1428533839 /nfs/dbraw/zinc/53/38/39/1428533839.db2.gz VISNAEDMQMKDJX-UHFFFAOYSA-N 1 0 398.341 3.107 20 30 GGEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000105181639 1411039235 /nfs/dbraw/zinc/03/92/35/1411039235.db2.gz LAABHCBVUJYSST-ZWKOTPCHSA-N 1 0 384.524 3.231 20 30 GGEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000105181637 1411039504 /nfs/dbraw/zinc/03/95/04/1411039504.db2.gz LAABHCBVUJYSST-QZTJIDSGSA-N 1 0 384.524 3.231 20 30 GGEDRO CCC(CC)c1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)NC)cc1 ZINC000105391745 1411062182 /nfs/dbraw/zinc/06/21/82/1411062182.db2.gz XHEQUPDVAYCVJZ-UHFFFAOYSA-O 1 0 389.497 3.416 20 30 GGEDRO CC(=O)N1CCC(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000105505783 1411074352 /nfs/dbraw/zinc/07/43/52/1411074352.db2.gz CVFBRRHDTCSBNB-UHFFFAOYSA-N 1 0 377.488 3.485 20 30 GGEDRO CN(C(=O)Nc1ccc(F)c(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000105720530 1411111966 /nfs/dbraw/zinc/11/19/66/1411111966.db2.gz AKPJXCREOXQJMB-UHFFFAOYSA-N 1 0 381.455 3.263 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1coc(-c2cccs2)n1 ZINC000105950711 1411133075 /nfs/dbraw/zinc/13/30/75/1411133075.db2.gz VRAZSSCDMNOKGW-UHFFFAOYSA-N 1 0 394.500 3.408 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000106034321 1411154226 /nfs/dbraw/zinc/15/42/26/1411154226.db2.gz CVSMKMTXJPUZMG-UHFFFAOYSA-N 1 0 379.482 3.096 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000106034869 1411154375 /nfs/dbraw/zinc/15/43/75/1411154375.db2.gz MDJAHLOASGHDMM-UHFFFAOYSA-N 1 0 386.471 3.273 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)CC1 ZINC000106035677 1411155109 /nfs/dbraw/zinc/15/51/09/1411155109.db2.gz IPHVNZVOXIEWBS-HNNXBMFYSA-N 1 0 376.522 3.111 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(OCC)cc3)no2)CC1 ZINC000106036798 1411156049 /nfs/dbraw/zinc/15/60/49/1411156049.db2.gz INDYUELVVKEZEC-UHFFFAOYSA-N 1 0 398.507 3.225 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000106037665 1411156208 /nfs/dbraw/zinc/15/62/08/1411156208.db2.gz GNCXKWGKYJPKBU-OALUTQOASA-N 1 0 385.552 3.066 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCC(=O)CCC(=O)c2cccs2)CC1 ZINC000106036767 1411156391 /nfs/dbraw/zinc/15/63/91/1411156391.db2.gz CDTLKNXRGYPOTE-UHFFFAOYSA-N 1 0 376.522 3.217 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccnc2SCc2cc(C)on2)CC1 ZINC000106038457 1411156423 /nfs/dbraw/zinc/15/64/23/1411156423.db2.gz OFIWFVMERCBNHA-UHFFFAOYSA-N 1 0 386.521 3.441 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 ZINC000106037563 1411156484 /nfs/dbraw/zinc/15/64/84/1411156484.db2.gz IKBXDOYSACYMGP-FQEVSTJZSA-N 1 0 383.536 3.004 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000106038848 1411156505 /nfs/dbraw/zinc/15/65/05/1411156505.db2.gz BLKGWZZOXNERPE-UHFFFAOYSA-N 1 0 388.899 3.479 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)CC1 ZINC000106040250 1411157242 /nfs/dbraw/zinc/15/72/42/1411157242.db2.gz HHGJYIRUQYPTHJ-HNNXBMFYSA-N 1 0 393.528 3.043 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000106040747 1411157870 /nfs/dbraw/zinc/15/78/70/1411157870.db2.gz MLCWWBRZWQZVGI-UHFFFAOYSA-N 1 0 377.916 3.007 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176992610 1428544698 /nfs/dbraw/zinc/54/46/98/1428544698.db2.gz FFFQDXBVCHOFDQ-DLBZAZTESA-N 1 0 388.537 3.267 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000106263670 1411185604 /nfs/dbraw/zinc/18/56/04/1411185604.db2.gz NYZUYQOBPMBPKK-MRXNPFEDSA-N 1 0 375.513 3.413 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C(=O)N(CC)CC)cc2)CC1 ZINC000106262938 1411186122 /nfs/dbraw/zinc/18/61/22/1411186122.db2.gz LDKBUXFZWCDJQN-UHFFFAOYSA-N 1 0 386.540 3.008 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000106267038 1411186875 /nfs/dbraw/zinc/18/68/75/1411186875.db2.gz KVWBEMFKOMQHPT-QGZVFWFLSA-N 1 0 384.524 3.214 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000106267103 1411187289 /nfs/dbraw/zinc/18/72/89/1411187289.db2.gz POTUNWUEDKXECL-INIZCTEOSA-N 1 0 386.496 3.044 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)CC1 ZINC000106275021 1411188148 /nfs/dbraw/zinc/18/81/48/1411188148.db2.gz QFNPFDRQTQHVJV-IBGZPJMESA-N 1 0 385.508 3.345 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000106275656 1411188684 /nfs/dbraw/zinc/18/86/84/1411188684.db2.gz FPPODZPESHOGCD-GOSISDBHSA-N 1 0 394.560 3.116 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC(=O)OCC)c2ccc(F)cc2)CC1 ZINC000106274820 1411189051 /nfs/dbraw/zinc/18/90/51/1411189051.db2.gz TZOOQMBMLCFURD-LJQANCHMSA-N 1 0 391.487 3.160 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000106349216 1411200953 /nfs/dbraw/zinc/20/09/53/1411200953.db2.gz SUUDOHGZUZYGBF-UHFFFAOYSA-N 1 0 385.508 3.103 20 30 GGEDRO NC(C[NH+]1CCCCCC1)=NOCC(=O)Nc1ccccc1-c1ccccc1 ZINC000106437645 1411218814 /nfs/dbraw/zinc/21/88/14/1411218814.db2.gz UQPHUCJODXSQOC-UHFFFAOYSA-N 1 0 380.492 3.457 20 30 GGEDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2F)CC1 ZINC000106506631 1411226238 /nfs/dbraw/zinc/22/62/38/1411226238.db2.gz WKSKJFLTHDMBNM-UHFFFAOYSA-N 1 0 381.455 3.161 20 30 GGEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106524443 1411231774 /nfs/dbraw/zinc/23/17/74/1411231774.db2.gz HLLVUAOSKYJINF-KRWDZBQOSA-N 1 0 379.426 3.373 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000177003681 1428550055 /nfs/dbraw/zinc/55/00/55/1428550055.db2.gz YSUHAHVWJMRPAY-UHFFFAOYSA-N 1 0 399.535 3.493 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000177005385 1428550307 /nfs/dbraw/zinc/55/03/07/1428550307.db2.gz UTEVOOLWLRAIOP-UHFFFAOYSA-N 1 0 396.535 3.340 20 30 GGEDRO CC(C)c1nc2c(n1C)CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000106861142 1411310681 /nfs/dbraw/zinc/31/06/81/1411310681.db2.gz CXULUKFNTIKLBU-UHFFFAOYSA-N 1 0 397.548 3.352 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1 ZINC000106949603 1411326216 /nfs/dbraw/zinc/32/62/16/1411326216.db2.gz YYSOFYMEXUSWFX-UHFFFAOYSA-N 1 0 389.500 3.430 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2F)C(C)C)cc1 ZINC000107307553 1411359142 /nfs/dbraw/zinc/35/91/42/1411359142.db2.gz XJNNNNBKPOICJP-FQEVSTJZSA-N 1 0 399.466 3.306 20 30 GGEDRO C=CCc1cc(CNC(=O)NC2CC[NH+](CCC)CC2)cc(OC)c1OC ZINC000107329805 1411361215 /nfs/dbraw/zinc/36/12/15/1411361215.db2.gz HLFBDSIOGCXVBE-UHFFFAOYSA-N 1 0 375.513 3.106 20 30 GGEDRO N#CCCN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CC1 ZINC000177029603 1428560905 /nfs/dbraw/zinc/56/09/05/1428560905.db2.gz ZINUILVINMIJQW-FQEVSTJZSA-N 1 0 388.943 3.219 20 30 GGEDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000177033409 1428562010 /nfs/dbraw/zinc/56/20/10/1428562010.db2.gz KFHOJYUTDDHVOX-QGZVFWFLSA-N 1 0 376.932 3.250 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000107709288 1411400212 /nfs/dbraw/zinc/40/02/12/1411400212.db2.gz BOTMYYGOXWZNON-DZGCQCFKSA-N 1 0 386.521 3.478 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107873826 1411425348 /nfs/dbraw/zinc/42/53/48/1411425348.db2.gz VTGITBDJWARDJE-LJQANCHMSA-N 1 0 385.508 3.057 20 30 GGEDRO COc1cccc(C2CC(=O)C(=CNCCC[N@@H+]3CCCC[C@H]3C)C(=O)C2)c1 ZINC000108178313 1411448481 /nfs/dbraw/zinc/44/84/81/1411448481.db2.gz DCUWZZQAOXSDIL-DUSLRRAJSA-N 1 0 384.520 3.449 20 30 GGEDRO Cc1ccc(-n2nc(C(=O)N(CCC#N)CCC[NH+](C)C)c3c2CCCC3)cc1 ZINC000108261879 1411461418 /nfs/dbraw/zinc/46/14/18/1411461418.db2.gz QOLHQKARFZKDQZ-UHFFFAOYSA-N 1 0 393.535 3.367 20 30 GGEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000177052577 1428569518 /nfs/dbraw/zinc/56/95/18/1428569518.db2.gz NWJFXSVPZUHZJE-UHFFFAOYSA-N 1 0 375.517 3.126 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC([NH2+]C(C)C)CC2)ccc1Cl ZINC000108368950 1411482151 /nfs/dbraw/zinc/48/21/51/1411482151.db2.gz FUSPFQQKXBIUFD-UHFFFAOYSA-N 1 0 376.932 3.358 20 30 GGEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC([NH2+]C(C)C)CC2)c1C#N ZINC000108368837 1411482399 /nfs/dbraw/zinc/48/23/99/1411482399.db2.gz UTNNQPDXYDGJIO-UHFFFAOYSA-N 1 0 385.556 3.493 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000108399277 1411491291 /nfs/dbraw/zinc/49/12/91/1411491291.db2.gz JBESUTLAFZHPAY-UHFFFAOYSA-N 1 0 391.924 3.105 20 30 GGEDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000108399170 1411491636 /nfs/dbraw/zinc/49/16/36/1411491636.db2.gz HNTVCRVIKJKACY-UHFFFAOYSA-N 1 0 385.533 3.232 20 30 GGEDRO Cc1nc(C)c(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000108445991 1411504119 /nfs/dbraw/zinc/50/41/19/1411504119.db2.gz WFYPZVQXBNEROP-UHFFFAOYSA-N 1 0 397.548 3.092 20 30 GGEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000108468663 1411512459 /nfs/dbraw/zinc/51/24/59/1411512459.db2.gz PYFQNOXIEUEUMF-IFMALSPDSA-N 1 0 379.504 3.251 20 30 GGEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000108468667 1411512488 /nfs/dbraw/zinc/51/24/88/1411512488.db2.gz PYFQNOXIEUEUMF-RBBKRZOGSA-N 1 0 379.504 3.251 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000108508271 1411524482 /nfs/dbraw/zinc/52/44/82/1411524482.db2.gz GDNIVEXKVXYDSZ-FQEVSTJZSA-N 1 0 382.508 3.107 20 30 GGEDRO C#CCOc1cccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000108517670 1411527240 /nfs/dbraw/zinc/52/72/40/1411527240.db2.gz WWLPVBADGPDUSB-FQEVSTJZSA-N 1 0 377.488 3.385 20 30 GGEDRO C#CCOc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000108521728 1411528170 /nfs/dbraw/zinc/52/81/70/1411528170.db2.gz CUMKGYJEZUDKPR-FQEVSTJZSA-N 1 0 377.488 3.385 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000108530442 1411531289 /nfs/dbraw/zinc/53/12/89/1411531289.db2.gz LYZKJZFPJXNPQO-INIZCTEOSA-N 1 0 389.569 3.086 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)c1ccccc1 ZINC000108604192 1411548833 /nfs/dbraw/zinc/54/88/33/1411548833.db2.gz VHEPKADHGKXMQM-GOSISDBHSA-N 1 0 396.516 3.050 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108605211 1411549443 /nfs/dbraw/zinc/54/94/43/1411549443.db2.gz NVGSLOZMVGAMOC-INIZCTEOSA-N 1 0 388.537 3.012 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C[N@@H+]1C1CC1 ZINC000177069905 1428576787 /nfs/dbraw/zinc/57/67/87/1428576787.db2.gz YZVWROGUSYPXJU-UZLBHIALSA-N 1 0 375.472 3.492 20 30 GGEDRO N#Cc1ccccc1COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000108783663 1411608962 /nfs/dbraw/zinc/60/89/62/1411608962.db2.gz OTLXATSJZOMJLM-KRWDZBQOSA-N 1 0 375.472 3.351 20 30 GGEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3cc(C#N)cs3)cc2)CC1 ZINC000177082814 1428582490 /nfs/dbraw/zinc/58/24/90/1428582490.db2.gz DEGQOHFTYMJFBS-UHFFFAOYSA-N 1 0 383.477 3.088 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)CC1 ZINC000108932184 1411642684 /nfs/dbraw/zinc/64/26/84/1411642684.db2.gz QPLYQERRWDWLLT-UHFFFAOYSA-N 1 0 384.549 3.290 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCOc2ccccc21 ZINC000108931525 1411643163 /nfs/dbraw/zinc/64/31/63/1411643163.db2.gz NFRXFZGNKMDARX-HXUWFJFHSA-N 1 0 392.503 3.198 20 30 GGEDRO COCCN1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000109015475 1411661582 /nfs/dbraw/zinc/66/15/82/1411661582.db2.gz IYKAOYXZEKQAHN-UHFFFAOYSA-N 1 0 379.504 3.338 20 30 GGEDRO CCc1nc2n(n1)C[C@H]([NH2+]Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000109015724 1411661635 /nfs/dbraw/zinc/66/16/35/1411661635.db2.gz WRYRHWXUQATZGE-HXUWFJFHSA-N 1 0 387.487 3.396 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000109034369 1411667804 /nfs/dbraw/zinc/66/78/04/1411667804.db2.gz MNBJGTMPNDGTPV-MRXNPFEDSA-N 1 0 388.537 3.012 20 30 GGEDRO CCc1nc2n(n1)C[C@H]([NH2+]Cc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000109072819 1411677261 /nfs/dbraw/zinc/67/72/61/1411677261.db2.gz WQFVZJXELQRULM-HXUWFJFHSA-N 1 0 387.487 3.396 20 30 GGEDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000109160214 1411697609 /nfs/dbraw/zinc/69/76/09/1411697609.db2.gz DNRNBHGOHUNUDM-UHFFFAOYSA-N 1 0 394.475 3.271 20 30 GGEDRO NC(=NOCC(=O)Nc1cccc(F)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000109213443 1411715250 /nfs/dbraw/zinc/71/52/50/1411715250.db2.gz HAMPAKDIVMQXLO-UHFFFAOYSA-N 1 0 384.455 3.087 20 30 GGEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NS(=O)(=O)CCCCC#N ZINC000109338869 1411743628 /nfs/dbraw/zinc/74/36/28/1411743628.db2.gz KYFOSWBMOYKTKZ-LJQANCHMSA-N 1 0 377.554 3.073 20 30 GGEDRO CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000109679772 1411803352 /nfs/dbraw/zinc/80/33/52/1411803352.db2.gz UYJLQYWZMCSRRO-HKUYNNGSSA-N 1 0 384.524 3.294 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000109818164 1411812326 /nfs/dbraw/zinc/81/23/26/1411812326.db2.gz OWHORVRERNPBIU-FQEVSTJZSA-N 1 0 376.460 3.014 20 30 GGEDRO CCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1O ZINC000110084317 1411830675 /nfs/dbraw/zinc/83/06/75/1411830675.db2.gz NYYUZAGNRQFWQG-UHFFFAOYSA-N 1 0 389.459 3.300 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3cc(N4CCCCC4)ncn3)CC2)cc1 ZINC000110124526 1411832606 /nfs/dbraw/zinc/83/26/06/1411832606.db2.gz ZHRXEIJQAMTENS-UHFFFAOYSA-N 1 0 376.508 3.051 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1ccc(OCC#N)cc1 ZINC000110188551 1411836197 /nfs/dbraw/zinc/83/61/97/1411836197.db2.gz IGGHEFHEULWYGP-UNMCSNQZSA-N 1 0 375.472 3.274 20 30 GGEDRO CC[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000110207802 1411837642 /nfs/dbraw/zinc/83/76/42/1411837642.db2.gz BKGYGSYSMRWOOB-NRFANRHFSA-N 1 0 377.488 3.085 20 30 GGEDRO N#CCOc1ccc(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000110259656 1411840874 /nfs/dbraw/zinc/84/08/74/1411840874.db2.gz DBDWLBCJZVSVGR-UHFFFAOYSA-N 1 0 381.501 3.319 20 30 GGEDRO N#CCOc1ccc(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000110637962 1411862019 /nfs/dbraw/zinc/86/20/19/1411862019.db2.gz OEZOOORQNKKCKX-UHFFFAOYSA-N 1 0 381.451 3.051 20 30 GGEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110687876 1411863797 /nfs/dbraw/zinc/86/37/97/1411863797.db2.gz GRLVOOQHXRLIGK-UHFFFAOYSA-N 1 0 378.476 3.276 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110851604 1411873585 /nfs/dbraw/zinc/87/35/85/1411873585.db2.gz ZFTZZWGIEMVPAW-NRFANRHFSA-N 1 0 392.503 3.040 20 30 GGEDRO C=CCn1c(C)cc(C(=O)CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000110991087 1411880936 /nfs/dbraw/zinc/88/09/36/1411880936.db2.gz REJYUAQWSAWGDL-OALUTQOASA-N 1 0 387.568 3.295 20 30 GGEDRO C[C@H](CN1CCOCC1)[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000111057463 1411884801 /nfs/dbraw/zinc/88/48/01/1411884801.db2.gz HUCWHQHNPIAKNR-HXUWFJFHSA-N 1 0 379.504 3.160 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(NC(N)=O)cc2)C(=S)N[C@H](C)CC)cc1 ZINC000111163167 1411892534 /nfs/dbraw/zinc/89/25/34/1411892534.db2.gz WCESBWLJQABMQE-CQSZACIVSA-O 1 0 399.540 3.354 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@@H](CC)O[C@@H](C)C2)c1=S ZINC000111168057 1411893017 /nfs/dbraw/zinc/89/30/17/1411893017.db2.gz GEHVSBRBVALQKR-ZWKOTPCHSA-N 1 0 393.601 3.085 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@H](C)O[C@@H](CC)C2)c1=S ZINC000111168060 1411893196 /nfs/dbraw/zinc/89/31/96/1411893196.db2.gz GEHVSBRBVALQKR-ROUUACIJSA-N 1 0 393.601 3.085 20 30 GGEDRO CN(C)c1ccc(C(N)=[NH+]OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000111176934 1411893871 /nfs/dbraw/zinc/89/38/71/1411893871.db2.gz WSIJBDVCIMUEMH-UHFFFAOYSA-N 1 0 380.370 3.047 20 30 GGEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CCC1 ZINC000111295977 1411902049 /nfs/dbraw/zinc/90/20/49/1411902049.db2.gz INCUXBRSUWVGOT-KRWDZBQOSA-N 1 0 384.524 3.088 20 30 GGEDRO CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000111391129 1411937250 /nfs/dbraw/zinc/93/72/50/1411937250.db2.gz RCXWMZSCPRJDNW-UHFFFAOYSA-N 1 0 386.293 3.459 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000111407862 1411945486 /nfs/dbraw/zinc/94/54/86/1411945486.db2.gz IPMKKJOIYLHXPJ-UGKGYDQZSA-N 1 0 379.504 3.011 20 30 GGEDRO C=CCOc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000111458730 1411964970 /nfs/dbraw/zinc/96/49/70/1411964970.db2.gz UPJMNWLFRSWNQL-UHFFFAOYSA-N 1 0 380.492 3.110 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000111495912 1411980130 /nfs/dbraw/zinc/98/01/30/1411980130.db2.gz FXJBHGBNUDOLHL-KRWDZBQOSA-N 1 0 386.323 3.367 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000111495915 1411980443 /nfs/dbraw/zinc/98/04/43/1411980443.db2.gz FXJBHGBNUDOLHL-QGZVFWFLSA-N 1 0 386.323 3.367 20 30 GGEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000111723835 1412017393 /nfs/dbraw/zinc/01/73/93/1412017393.db2.gz LLRHCDBRAAURDQ-UHFFFAOYSA-N 1 0 384.402 3.494 20 30 GGEDRO COCCC[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000111771221 1412027750 /nfs/dbraw/zinc/02/77/50/1412027750.db2.gz SZYMDPMCCKSRQA-UHFFFAOYSA-N 1 0 392.503 3.104 20 30 GGEDRO C[NH+]1CCC(CCNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000111855340 1412039133 /nfs/dbraw/zinc/03/91/33/1412039133.db2.gz IYDFQBBJMMFANX-UHFFFAOYSA-N 1 0 384.524 3.279 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000111911615 1412049447 /nfs/dbraw/zinc/04/94/47/1412049447.db2.gz PJGGCEIXFSTJTP-SFHVURJKSA-N 1 0 395.503 3.217 20 30 GGEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000111914401 1412052091 /nfs/dbraw/zinc/05/20/91/1412052091.db2.gz KMNQTCSVBDZVRG-AWEZNQCLSA-N 1 0 390.915 3.167 20 30 GGEDRO Cc1cc(C(O)=CONC(=[NH2+])C2CCOCC2)c(C)n1CCc1cccs1 ZINC000112087407 1412074324 /nfs/dbraw/zinc/07/43/24/1412074324.db2.gz DBVVRJZEKULTMW-UHFFFAOYSA-N 1 0 389.521 3.307 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000112407701 1412141768 /nfs/dbraw/zinc/14/17/68/1412141768.db2.gz WZIOKLWYBLMMLB-FQEVSTJZSA-N 1 0 392.503 3.077 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000112527298 1412162735 /nfs/dbraw/zinc/16/27/35/1412162735.db2.gz LIXVDYQWYYUIPT-SJORKVTESA-N 1 0 378.476 3.350 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000112533489 1412164652 /nfs/dbraw/zinc/16/46/52/1412164652.db2.gz TWXPTNOEMUMSEV-CVEARBPZSA-N 1 0 396.466 3.489 20 30 GGEDRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)C(=O)N(C)CCC#N ZINC000112535151 1412165284 /nfs/dbraw/zinc/16/52/84/1412165284.db2.gz NYUZTTFWDOIQAI-AWEZNQCLSA-N 1 0 398.334 3.392 20 30 GGEDRO CC1CC[NH+](C[C@H]2CCCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000112648582 1412186552 /nfs/dbraw/zinc/18/65/52/1412186552.db2.gz OCKSHLBGXJKNDT-IFMALSPDSA-N 1 0 380.536 3.107 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112700035 1412195655 /nfs/dbraw/zinc/19/56/55/1412195655.db2.gz YEFQOHNYJHDCJM-RBUKOAKNSA-N 1 0 398.551 3.196 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]CCNC(=O)c2c(F)cccc2F)ccc1OC ZINC000112710693 1412201046 /nfs/dbraw/zinc/20/10/46/1412201046.db2.gz SUQGHKKRHOXOPJ-UHFFFAOYSA-N 1 0 390.430 3.448 20 30 GGEDRO COc1ccc([C@H](CO)[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000112996853 1412253012 /nfs/dbraw/zinc/25/30/12/1412253012.db2.gz NCBOVCOGRSGYED-IBGZPJMESA-N 1 0 387.867 3.214 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113093278 1412261544 /nfs/dbraw/zinc/26/15/44/1412261544.db2.gz RMQRAFNEMLFLOG-GOSISDBHSA-N 1 0 377.488 3.449 20 30 GGEDRO C[C@H](ON=C(N)C[NH+]1CCCCCC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000113249965 1412283104 /nfs/dbraw/zinc/28/31/04/1412283104.db2.gz RXIQKMUOFWAMFL-ZDUSSCGKSA-N 1 0 386.418 3.197 20 30 GGEDRO Cc1cc(C)c(NC(=O)[C@H](C)ON=C(N)C[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000113250274 1412283174 /nfs/dbraw/zinc/28/31/74/1412283174.db2.gz XAKCDMFKUKEOLS-GJZGRUSLSA-N 1 0 380.920 3.447 20 30 GGEDRO COc1ccc([C@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000113318539 1412291882 /nfs/dbraw/zinc/29/18/82/1412291882.db2.gz USYSKLGBPFAPQK-OAQYLSRUSA-N 1 0 376.460 3.296 20 30 GGEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000113323813 1412292224 /nfs/dbraw/zinc/29/22/24/1412292224.db2.gz ARJNPVGWWIKAHM-QGZVFWFLSA-N 1 0 378.472 3.207 20 30 GGEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(-n3cccn3)c2)c(-c2ccccc2)n1 ZINC000113320247 1412292809 /nfs/dbraw/zinc/29/28/09/1412292809.db2.gz MTGYFUHFUQHNPM-UHFFFAOYSA-N 1 0 383.459 3.334 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCNC(=O)CC2CCCC2)c(-c2ccccc2)n1 ZINC000113332311 1412293995 /nfs/dbraw/zinc/29/39/95/1412293995.db2.gz JWNTZFZFONLMHA-UHFFFAOYSA-N 1 0 379.508 3.250 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000113334565 1412294396 /nfs/dbraw/zinc/29/43/96/1412294396.db2.gz BBXMDMVTDXUPMX-QGZVFWFLSA-N 1 0 386.517 3.190 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000113331676 1412294431 /nfs/dbraw/zinc/29/44/31/1412294431.db2.gz MEFZTJXYDYVREF-QHCPKHFHSA-N 1 0 376.500 3.412 20 30 GGEDRO C=CCc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1O ZINC000113334571 1412294531 /nfs/dbraw/zinc/29/45/31/1412294531.db2.gz JEJCBNDZASLZBC-UHFFFAOYSA-N 1 0 378.476 3.155 20 30 GGEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)ccc1OC ZINC000113347513 1412295028 /nfs/dbraw/zinc/29/50/28/1412295028.db2.gz BMMUVRRRUREREW-QGZVFWFLSA-N 1 0 379.464 3.256 20 30 GGEDRO CCn1c2ccccc2c2cc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)ccc21 ZINC000113360919 1412298356 /nfs/dbraw/zinc/29/83/56/1412298356.db2.gz JXPYEGVQXCYLQY-GHVJWSGMSA-N 1 0 388.471 3.430 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(OCC#N)c1)c1ccccc1 ZINC000113370171 1412299753 /nfs/dbraw/zinc/29/97/53/1412299753.db2.gz FZSMZTTVSKMIJT-OAQYLSRUSA-N 1 0 380.492 3.471 20 30 GGEDRO N#CCOc1cccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000113380486 1412301562 /nfs/dbraw/zinc/30/15/62/1412301562.db2.gz UQNNYENDKUBYDE-FQEVSTJZSA-N 1 0 378.476 3.053 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)NCc2cccc(OCC#N)c2)[NH+]2CCCC2)o1 ZINC000113386118 1412302355 /nfs/dbraw/zinc/30/23/55/1412302355.db2.gz JUARIIUWHHOKGG-IBGZPJMESA-N 1 0 382.464 3.127 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000113390210 1412303046 /nfs/dbraw/zinc/30/30/46/1412303046.db2.gz SHGVHCRUWGWYDB-IRXDYDNUSA-N 1 0 394.560 3.066 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000113578599 1412317721 /nfs/dbraw/zinc/31/77/21/1412317721.db2.gz UKWMWPQKHFIPQE-IBGZPJMESA-N 1 0 382.464 3.208 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1OC ZINC000113591934 1412318963 /nfs/dbraw/zinc/31/89/63/1412318963.db2.gz XFFNLZIVDFNAOF-FUHWJXTLSA-N 1 0 388.512 3.050 20 30 GGEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cccc(OCC#N)c3)C2)CC1 ZINC000113629978 1412324358 /nfs/dbraw/zinc/32/43/58/1412324358.db2.gz XLZXIMPKTCWYLH-FQEVSTJZSA-N 1 0 384.524 3.242 20 30 GGEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000113646089 1412328933 /nfs/dbraw/zinc/32/89/33/1412328933.db2.gz OOFLXCCEVYQILG-INIZCTEOSA-N 1 0 388.537 3.012 20 30 GGEDRO Cc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(C[NH+](C)C)c1 ZINC000113912252 1412350785 /nfs/dbraw/zinc/35/07/85/1412350785.db2.gz ACDFRVCTALVETP-UHFFFAOYSA-N 1 0 399.516 3.386 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000113944173 1412357279 /nfs/dbraw/zinc/35/72/79/1412357279.db2.gz HRPUZIMKDATANJ-UHFFFAOYSA-N 1 0 391.924 3.484 20 30 GGEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000113980987 1412363438 /nfs/dbraw/zinc/36/34/38/1412363438.db2.gz OZPDCKSCHSNDHX-FPOVZHCZSA-N 1 0 380.492 3.470 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000113997832 1412365604 /nfs/dbraw/zinc/36/56/04/1412365604.db2.gz UWEAUWBABZWAHG-FCEUIQTBSA-N 1 0 385.552 3.079 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000114044000 1412374611 /nfs/dbraw/zinc/37/46/11/1412374611.db2.gz BMSBMGBJHYCLTR-MOPGFXCFSA-N 1 0 399.535 3.303 20 30 GGEDRO C[NH+]=C(NCc1nccn1C(F)F)N(C)Cc1ccc(Br)cc1 ZINC000114085376 1412379198 /nfs/dbraw/zinc/37/91/98/1412379198.db2.gz FDCVZFHKPMIPHR-UHFFFAOYSA-N 1 0 386.244 3.248 20 30 GGEDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000114187703 1412390108 /nfs/dbraw/zinc/39/01/08/1412390108.db2.gz LKLKZJCDWPBFKS-DLBZAZTESA-N 1 0 375.538 3.453 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)[C@@H]2CCc3ccccc32)sc2c1CCC2 ZINC000114192545 1412391584 /nfs/dbraw/zinc/39/15/84/1412391584.db2.gz QSJBMPTXAFHSPV-LJQANCHMSA-N 1 0 395.528 3.419 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(Cc2ccccc2)CC1 ZINC000114200172 1412393286 /nfs/dbraw/zinc/39/32/86/1412393286.db2.gz AFIQIKNDIQAEFG-UHFFFAOYSA-N 1 0 376.504 3.483 20 30 GGEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CC(C)(C)O ZINC000114204490 1412393355 /nfs/dbraw/zinc/39/33/55/1412393355.db2.gz KWZGDALRNMEPBU-UHFFFAOYSA-N 1 0 386.471 3.136 20 30 GGEDRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000114205123 1412393376 /nfs/dbraw/zinc/39/33/76/1412393376.db2.gz VPNAPEVWTJHGJD-SFHVURJKSA-N 1 0 380.514 3.087 20 30 GGEDRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000114205172 1412393468 /nfs/dbraw/zinc/39/34/68/1412393468.db2.gz WLDKBKYSPAASGM-FQEVSTJZSA-N 1 0 394.560 3.200 20 30 GGEDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000114205121 1412393719 /nfs/dbraw/zinc/39/37/19/1412393719.db2.gz VPNAPEVWTJHGJD-GOSISDBHSA-N 1 0 380.514 3.087 20 30 GGEDRO C=CCn1c(SCC(=O)NC2CC[NH+](C(C)C)CC2)nnc1-c1ccccc1 ZINC000114217752 1412394926 /nfs/dbraw/zinc/39/49/26/1412394926.db2.gz JWXWXRBNWDEVES-UHFFFAOYSA-N 1 0 399.564 3.212 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000114747454 1412516778 /nfs/dbraw/zinc/51/67/78/1412516778.db2.gz NMSNLFRUFYHBEE-JKSUJKDBSA-N 1 0 376.460 3.363 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000114747456 1412517269 /nfs/dbraw/zinc/51/72/69/1412517269.db2.gz NMSNLFRUFYHBEE-HZPDHXFCSA-N 1 0 376.460 3.363 20 30 GGEDRO Cc1ccccc1C1(C[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000114750181 1412518838 /nfs/dbraw/zinc/51/88/38/1412518838.db2.gz VAXXGALJEIYPKJ-QFIPXVFZSA-N 1 0 389.499 3.310 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114810910 1412531094 /nfs/dbraw/zinc/53/10/94/1412531094.db2.gz ABZCLJQIALUQBX-NRFANRHFSA-N 1 0 392.503 3.389 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(CCc2ccc(OC)c(OC)c2)CC(C)C)CC1 ZINC000115218852 1412613476 /nfs/dbraw/zinc/61/34/76/1412613476.db2.gz YXKMTHKFUKBQHJ-UHFFFAOYSA-N 1 0 386.536 3.076 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000115271537 1412628936 /nfs/dbraw/zinc/62/89/36/1412628936.db2.gz DOCXQRZOUVRKLK-XLIONFOSSA-N 1 0 389.565 3.045 20 30 GGEDRO N#Cc1ccc(OCc2cccc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c2)cc1 ZINC000115341368 1412652831 /nfs/dbraw/zinc/65/28/31/1412652831.db2.gz HZGUZDWHSUUEIK-IBGZPJMESA-N 1 0 375.472 3.351 20 30 GGEDRO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)c2)cc1 ZINC000115376037 1412660817 /nfs/dbraw/zinc/66/08/17/1412660817.db2.gz DVBBAYRPTORYSM-OAQYLSRUSA-N 1 0 375.472 3.351 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000115372848 1412661163 /nfs/dbraw/zinc/66/11/63/1412661163.db2.gz DXSWYEBFUNDLJK-UYAOXDASSA-N 1 0 389.927 3.016 20 30 GGEDRO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)c2)c1 ZINC000115376021 1412661200 /nfs/dbraw/zinc/66/12/00/1412661200.db2.gz SGWGFCRFYBRSEC-OAQYLSRUSA-N 1 0 375.472 3.351 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1C ZINC000115433511 1412674605 /nfs/dbraw/zinc/67/46/05/1412674605.db2.gz OJXBLCNMFMQUGU-IBGZPJMESA-N 1 0 393.535 3.494 20 30 GGEDRO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000115532506 1412702481 /nfs/dbraw/zinc/70/24/81/1412702481.db2.gz ZYJVLQQOFZRTRK-HSZRJFAPSA-N 1 0 384.483 3.056 20 30 GGEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115539781 1412703764 /nfs/dbraw/zinc/70/37/64/1412703764.db2.gz MFSCJTNGGIBNPD-NRFANRHFSA-N 1 0 391.450 3.178 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccc(CN[C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597015 1412726178 /nfs/dbraw/zinc/72/61/78/1412726178.db2.gz PHUFCNAWAAWNAL-JTSKRJEESA-N 1 0 376.504 3.106 20 30 GGEDRO N#Cc1ccc([C@H](NCc2ccccc2C[NH+]2CCCCCC2)C(N)=O)cc1 ZINC000115600210 1412727016 /nfs/dbraw/zinc/72/70/16/1412727016.db2.gz YUULBOWRZFGFJL-QFIPXVFZSA-N 1 0 376.504 3.250 20 30 GGEDRO N#Cc1ccc(OCCC[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000177288714 1428673030 /nfs/dbraw/zinc/67/30/30/1428673030.db2.gz LSCZCKXFGQJPJA-UHFFFAOYSA-N 1 0 391.515 3.494 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000115678827 1412758131 /nfs/dbraw/zinc/75/81/31/1412758131.db2.gz YBTUKYDTMRGZSI-UHFFFAOYSA-N 1 0 389.887 3.230 20 30 GGEDRO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000115704333 1412767692 /nfs/dbraw/zinc/76/76/92/1412767692.db2.gz HUALARMSZLLAJX-NQIIRXRSSA-N 1 0 389.515 3.108 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000115749285 1412776728 /nfs/dbraw/zinc/77/67/28/1412776728.db2.gz KSYQGVHVSPDEGB-KDOFPFPSSA-N 1 0 378.904 3.470 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177304474 1428679691 /nfs/dbraw/zinc/67/96/91/1428679691.db2.gz DSMADXQGQPOTIY-JKSUJKDBSA-N 1 0 387.505 3.251 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000177304492 1428680338 /nfs/dbraw/zinc/68/03/38/1428680338.db2.gz DSMADXQGQPOTIY-HZPDHXFCSA-N 1 0 387.505 3.251 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116562184 1412877797 /nfs/dbraw/zinc/87/77/97/1412877797.db2.gz JZQPWJDVSFQWOW-PXNSSMCTSA-N 1 0 398.457 3.466 20 30 GGEDRO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000116877520 1412946967 /nfs/dbraw/zinc/94/69/67/1412946967.db2.gz PWKRUTKULMJDJD-UHFFFAOYSA-N 1 0 393.487 3.233 20 30 GGEDRO COCCOC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000116885031 1412949806 /nfs/dbraw/zinc/94/98/06/1412949806.db2.gz MPHJBKFGRFFZCI-LJQANCHMSA-N 1 0 387.524 3.066 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)CC1 ZINC000177326256 1428690781 /nfs/dbraw/zinc/69/07/81/1428690781.db2.gz KVKIQKSHLPBADB-SFHVURJKSA-N 1 0 398.551 3.079 20 30 GGEDRO C#CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000117336928 1413027619 /nfs/dbraw/zinc/02/76/19/1413027619.db2.gz MWXAXNWLPDNKAZ-UHFFFAOYSA-N 1 0 383.379 3.167 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000177343441 1428700108 /nfs/dbraw/zinc/70/01/08/1428700108.db2.gz JVRIVUXLFSMYBF-UHFFFAOYSA-N 1 0 387.524 3.064 20 30 GGEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000118114053 1413111842 /nfs/dbraw/zinc/11/18/42/1413111842.db2.gz REHBOJGAWKMTSD-IBGZPJMESA-N 1 0 384.524 3.197 20 30 GGEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000118114887 1413112164 /nfs/dbraw/zinc/11/21/64/1413112164.db2.gz KHRSCTHBXPEJDT-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000118114511 1413112240 /nfs/dbraw/zinc/11/22/40/1413112240.db2.gz KYIGEZBXXALGBP-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000118118094 1413112949 /nfs/dbraw/zinc/11/29/49/1413112949.db2.gz HVLRMQSXJKVATQ-MRXNPFEDSA-N 1 0 394.475 3.136 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOC1CCCCCC1 ZINC000118586089 1413186147 /nfs/dbraw/zinc/18/61/47/1413186147.db2.gz KQLKQJWRSABYLB-UHFFFAOYSA-N 1 0 386.540 3.371 20 30 GGEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000118808670 1413227539 /nfs/dbraw/zinc/22/75/39/1413227539.db2.gz CJQUGSSRRGNTGY-QGZVFWFLSA-N 1 0 391.475 3.226 20 30 GGEDRO CC(C)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000118855183 1413247663 /nfs/dbraw/zinc/24/76/63/1413247663.db2.gz KEESOTHCZOUUBB-IRLDBZIGSA-N 1 0 386.467 3.129 20 30 GGEDRO C[NH+](C)CCC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000118868590 1413255222 /nfs/dbraw/zinc/25/52/22/1413255222.db2.gz NDIWKSNQLRWQLA-UHFFFAOYSA-N 1 0 388.581 3.491 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]2C(C)(C)O)c1C#N ZINC000118980083 1413287610 /nfs/dbraw/zinc/28/76/10/1413287610.db2.gz RCWJDZMTNFYAJP-LJQANCHMSA-N 1 0 398.507 3.182 20 30 GGEDRO C[N@H+](CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCSC1 ZINC000119014323 1413304147 /nfs/dbraw/zinc/30/41/47/1413304147.db2.gz UIKLLAPRVYGUHK-TZIWHRDSSA-N 1 0 395.528 3.384 20 30 GGEDRO C[N@H+](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCSC1 ZINC000119014204 1413304575 /nfs/dbraw/zinc/30/45/75/1413304575.db2.gz UIKLLAPRVYGUHK-CTNGQTDRSA-N 1 0 395.528 3.384 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C)cc2OCCCOC)CC1 ZINC000119125405 1413346861 /nfs/dbraw/zinc/34/68/61/1413346861.db2.gz VQRQXYGSFKSKSQ-UHFFFAOYSA-N 1 0 389.540 3.250 20 30 GGEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000119160865 1413359990 /nfs/dbraw/zinc/35/99/90/1413359990.db2.gz AILWZGMBOWASHI-XLIONFOSSA-N 1 0 379.460 3.287 20 30 GGEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000119160761 1413360372 /nfs/dbraw/zinc/36/03/72/1413360372.db2.gz AILWZGMBOWASHI-YLJYHZDGSA-N 1 0 379.460 3.287 20 30 GGEDRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000177411018 1428724728 /nfs/dbraw/zinc/72/47/28/1428724728.db2.gz YONHBMWOYNAZDJ-YJYMSZOUSA-N 1 0 385.851 3.290 20 30 GGEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000119431661 1413445599 /nfs/dbraw/zinc/44/55/99/1413445599.db2.gz XYWPMKSKIJCJSG-SFHVURJKSA-N 1 0 392.503 3.025 20 30 GGEDRO C#CCOCCC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000119478431 1413460469 /nfs/dbraw/zinc/46/04/69/1413460469.db2.gz KPLWLEFQNUKSEZ-UHFFFAOYSA-N 1 0 391.515 3.296 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000119701900 1413538267 /nfs/dbraw/zinc/53/82/67/1413538267.db2.gz OARCZZGRHXJZFI-QHCPKHFHSA-N 1 0 396.510 3.339 20 30 GGEDRO O=C(NCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)C1N=CC=CC1=O ZINC000119708828 1413540130 /nfs/dbraw/zinc/54/01/30/1413540130.db2.gz ZOWVTEQEOKGGES-QURGRASLSA-N 1 0 395.434 3.021 20 30 GGEDRO C[C@@H]1CN(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000119707382 1413540234 /nfs/dbraw/zinc/54/02/34/1413540234.db2.gz MNWMEFXRNFOGGP-RTBURBONSA-N 1 0 381.524 3.053 20 30 GGEDRO C[C@H]1CN(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000119707233 1413540281 /nfs/dbraw/zinc/54/02/81/1413540281.db2.gz MNWMEFXRNFOGGP-OALUTQOASA-N 1 0 381.524 3.053 20 30 GGEDRO Cc1ccc(Cl)c(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000119807815 1413576367 /nfs/dbraw/zinc/57/63/67/1413576367.db2.gz NLRWLPYDOZOYOU-UHFFFAOYSA-N 1 0 398.894 3.049 20 30 GGEDRO CC1(C)C[C@@H]([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(C)(C)O1 ZINC000119821789 1413581724 /nfs/dbraw/zinc/58/17/24/1413581724.db2.gz DLZPCWBADITKBQ-MRXNPFEDSA-N 1 0 382.426 3.109 20 30 GGEDRO C#CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000119867501 1413598316 /nfs/dbraw/zinc/59/83/16/1413598316.db2.gz RPENVTWUUFYCPQ-NRFANRHFSA-N 1 0 377.488 3.220 20 30 GGEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)CC1 ZINC000119943838 1413626459 /nfs/dbraw/zinc/62/64/59/1413626459.db2.gz TUQDXUPEKAXOTR-UHFFFAOYSA-N 1 0 384.430 3.226 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1Cl ZINC000177451022 1428742257 /nfs/dbraw/zinc/74/22/57/1428742257.db2.gz MWCIYEGBANAPAB-SFHVURJKSA-N 1 0 391.899 3.200 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000119967242 1413635919 /nfs/dbraw/zinc/63/59/19/1413635919.db2.gz PBEZRUSPGVMYIZ-NQIIRXRSSA-N 1 0 390.483 3.278 20 30 GGEDRO CN(CCC#N)c1ccc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000120058500 1413671126 /nfs/dbraw/zinc/67/11/26/1413671126.db2.gz AXBUQEUJTDTMJX-JOCHJYFZSA-N 1 0 391.519 3.098 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000120096540 1413686230 /nfs/dbraw/zinc/68/62/30/1413686230.db2.gz LZPCWMKBXFGHCS-CABCVRRESA-N 1 0 392.525 3.231 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000120099548 1413687204 /nfs/dbraw/zinc/68/72/04/1413687204.db2.gz IUMWSCHSMHITQH-IRXDYDNUSA-N 1 0 392.544 3.002 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000120122056 1413696253 /nfs/dbraw/zinc/69/62/53/1413696253.db2.gz LWWNJXMCTPDABT-UHFFFAOYSA-N 1 0 381.480 3.360 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000120188666 1413723682 /nfs/dbraw/zinc/72/36/82/1413723682.db2.gz JXTGGYRUWNKFJG-IRXDYDNUSA-N 1 0 399.516 3.076 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)ccc1OC ZINC000120388943 1413807697 /nfs/dbraw/zinc/80/76/97/1413807697.db2.gz QUJJTZDMCREDAB-IBGZPJMESA-N 1 0 397.475 3.364 20 30 GGEDRO COc1ccccc1SCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000120506635 1413832668 /nfs/dbraw/zinc/83/26/68/1413832668.db2.gz HAYFIVSULILCNA-UHFFFAOYSA-N 1 0 383.517 3.249 20 30 GGEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1OC1CCOCC1 ZINC000120515299 1413834370 /nfs/dbraw/zinc/83/43/70/1413834370.db2.gz WDQJWRRQCURCLL-UHFFFAOYSA-N 1 0 388.512 3.252 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN([C@@H](C)c2cccnc2)CC1 ZINC000120542052 1413839611 /nfs/dbraw/zinc/83/96/11/1413839611.db2.gz LDSCWAPEABFXEG-PMACEKPBSA-N 1 0 391.519 3.096 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1OC ZINC000120593046 1413851003 /nfs/dbraw/zinc/85/10/03/1413851003.db2.gz LKSHDOUDMGDKQJ-WBVHZDCISA-N 1 0 390.528 3.152 20 30 GGEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000120600381 1413851944 /nfs/dbraw/zinc/85/19/44/1413851944.db2.gz MNPYLFPMUXOTSS-AYOQOUSVSA-N 1 0 378.476 3.359 20 30 GGEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)Cc2cccc(OCC#N)c2)C[C@@H](C)O1 ZINC000120669301 1413870233 /nfs/dbraw/zinc/87/02/33/1413870233.db2.gz LCLVGIZYMYZVIY-QZTJIDSGSA-N 1 0 393.487 3.379 20 30 GGEDRO C[C@H]1CN(Cc2ccccc2NC(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1 ZINC000120669155 1413870330 /nfs/dbraw/zinc/87/03/30/1413870330.db2.gz LCLVGIZYMYZVIY-ROUUACIJSA-N 1 0 393.487 3.379 20 30 GGEDRO N#CCOc1cc(F)ccc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000120670185 1413870926 /nfs/dbraw/zinc/87/09/26/1413870926.db2.gz XRMFAGCTPRAOTA-UHFFFAOYSA-N 1 0 396.466 3.269 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCCc2ccc(Oc3ccc(OC)cc3)cc2)CC1 ZINC000120719544 1413884343 /nfs/dbraw/zinc/88/43/43/1413884343.db2.gz MMIGSARDBPXNJI-UHFFFAOYSA-N 1 0 392.499 3.491 20 30 GGEDRO N#CCOc1ccccc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000120721211 1413884594 /nfs/dbraw/zinc/88/45/94/1413884594.db2.gz XBPDMFAICDAKCV-UHFFFAOYSA-N 1 0 379.460 3.046 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1Cl ZINC000120744437 1413890571 /nfs/dbraw/zinc/89/05/71/1413890571.db2.gz XJIRKWDROKNYMJ-FXAWDEMLSA-N 1 0 398.894 3.216 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000120743341 1413890632 /nfs/dbraw/zinc/89/06/32/1413890632.db2.gz FPGFJGIYBFGCBU-ROUUACIJSA-N 1 0 376.888 3.101 20 30 GGEDRO C#CCOc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000120767722 1413897286 /nfs/dbraw/zinc/89/72/86/1413897286.db2.gz JUVCRALSPODQAS-KRWDZBQOSA-N 1 0 378.476 3.441 20 30 GGEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000120798521 1413906425 /nfs/dbraw/zinc/90/64/25/1413906425.db2.gz LYEJTOVGAYPTHX-UHFFFAOYSA-N 1 0 375.432 3.391 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000120822666 1413915470 /nfs/dbraw/zinc/91/54/70/1413915470.db2.gz PLWXQDSFOUZRTJ-UHFFFAOYSA-N 1 0 393.487 3.467 20 30 GGEDRO Cc1ccnc(N2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1 ZINC000120888766 1413938773 /nfs/dbraw/zinc/93/87/73/1413938773.db2.gz LNUVZKPKFGOUKY-UHFFFAOYSA-N 1 0 386.503 3.489 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000177492873 1428767227 /nfs/dbraw/zinc/76/72/27/1428767227.db2.gz HRMOOKZAKSXWSB-AKJBCIBTSA-N 1 0 377.554 3.167 20 30 GGEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000120892387 1413939901 /nfs/dbraw/zinc/93/99/01/1413939901.db2.gz IFLRJJXHJIWUHW-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000120985668 1413968246 /nfs/dbraw/zinc/96/82/46/1413968246.db2.gz NCOUDLVOMYSJJX-UHFFFAOYSA-N 1 0 393.487 3.236 20 30 GGEDRO C[C@H](C1CC1)N(C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1)C1CC1 ZINC000177505003 1428773869 /nfs/dbraw/zinc/77/38/69/1428773869.db2.gz GVKUCHVTGCPELC-MRXNPFEDSA-N 1 0 384.524 3.103 20 30 GGEDRO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C ZINC000121107911 1414010476 /nfs/dbraw/zinc/01/04/76/1414010476.db2.gz IUPCTTMRMJQJBD-HDICACEKSA-N 1 0 377.488 3.406 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@H]2CCSC2)c1C#N ZINC000121145037 1414023257 /nfs/dbraw/zinc/02/32/57/1414023257.db2.gz ITKWAIBEAGHAJH-INIZCTEOSA-N 1 0 386.521 3.384 20 30 GGEDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000121148202 1414024720 /nfs/dbraw/zinc/02/47/20/1414024720.db2.gz DNCFOWSLZQSEBO-UHFFFAOYSA-N 1 0 387.487 3.455 20 30 GGEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177509546 1428775936 /nfs/dbraw/zinc/77/59/36/1428775936.db2.gz CAULYIHFVVJNDI-QRVBRYPASA-N 1 0 398.551 3.097 20 30 GGEDRO COc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000121310258 1414079811 /nfs/dbraw/zinc/07/98/11/1414079811.db2.gz SDGZKAQLVMENJD-UHFFFAOYSA-N 1 0 382.439 3.492 20 30 GGEDRO CC[NH+](CC)Cc1cccc(CNC(=O)COc2ccc(C#N)cc2OC)c1 ZINC000121332890 1414085893 /nfs/dbraw/zinc/08/58/93/1414085893.db2.gz KCSABOCHWYQEIY-UHFFFAOYSA-N 1 0 381.476 3.104 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000121341098 1414088693 /nfs/dbraw/zinc/08/86/93/1414088693.db2.gz KJMGNYFPKVBPLW-SFHVURJKSA-N 1 0 392.507 3.084 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCCN2CCCCCC2=O)c(-c2ccccc2)n1 ZINC000121453492 1414130002 /nfs/dbraw/zinc/13/00/02/1414130002.db2.gz KHQYLKRGVQFRTG-UHFFFAOYSA-N 1 0 379.508 3.346 20 30 GGEDRO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121458614 1414132765 /nfs/dbraw/zinc/13/27/65/1414132765.db2.gz GPLVRRIRXSDBFQ-LLVKDONJSA-N 1 0 385.859 3.193 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000121502168 1414153098 /nfs/dbraw/zinc/15/30/98/1414153098.db2.gz NCBLJVJBQOUTCG-JOCHJYFZSA-N 1 0 375.472 3.380 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1OCCCC#N ZINC000121548441 1414172460 /nfs/dbraw/zinc/17/24/60/1414172460.db2.gz MGQALFFTSWVNLH-HNNXBMFYSA-N 1 0 399.413 3.021 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1OCCCC#N ZINC000121548277 1414172938 /nfs/dbraw/zinc/17/29/38/1414172938.db2.gz MGQALFFTSWVNLH-OAHLLOKOSA-N 1 0 399.413 3.021 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000121601829 1414195531 /nfs/dbraw/zinc/19/55/31/1414195531.db2.gz HPYGXSCSQRKNJW-PMACEKPBSA-N 1 0 384.524 3.377 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000121601978 1414195574 /nfs/dbraw/zinc/19/55/74/1414195574.db2.gz HPYGXSCSQRKNJW-WOJBJXKFSA-N 1 0 384.524 3.377 20 30 GGEDRO N#CCOc1cc(F)ccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000121615494 1414201640 /nfs/dbraw/zinc/20/16/40/1414201640.db2.gz XUJKSLJQJIWFNY-UHFFFAOYSA-N 1 0 397.450 3.185 20 30 GGEDRO CC(C)(CCC#N)C[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000121651474 1414212237 /nfs/dbraw/zinc/21/22/37/1414212237.db2.gz JPTXQSAVFRASKJ-UHFFFAOYSA-N 1 0 378.416 3.278 20 30 GGEDRO N#Cc1csc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000121657000 1414214123 /nfs/dbraw/zinc/21/41/23/1414214123.db2.gz VLEWVSLYZZAOED-UHFFFAOYSA-N 1 0 390.408 3.082 20 30 GGEDRO N#Cc1ccsc1N1CC[C@@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000121827439 1414270820 /nfs/dbraw/zinc/27/08/20/1414270820.db2.gz ZTUVVGLIKVGHEA-LJQANCHMSA-N 1 0 386.565 3.313 20 30 GGEDRO CCCNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccccc1 ZINC000121828318 1414271299 /nfs/dbraw/zinc/27/12/99/1414271299.db2.gz HACVDKUBKTWWAY-UHFFFAOYSA-O 1 0 382.509 3.039 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C)c(C#N)c1C ZINC000121859958 1414281333 /nfs/dbraw/zinc/28/13/33/1414281333.db2.gz BQNFNZZUNXKFOB-HXUWFJFHSA-N 1 0 392.500 3.236 20 30 GGEDRO C[C@H](CCc1ccc(O)cc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000121883674 1414290432 /nfs/dbraw/zinc/29/04/32/1414290432.db2.gz WDOBEUFJWASDFR-GOSISDBHSA-N 1 0 394.519 3.358 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCC3(CCC3)C2)c1=S ZINC000121918342 1414306437 /nfs/dbraw/zinc/30/64/37/1414306437.db2.gz ACAXCEYZMUNVOY-UHFFFAOYSA-N 1 0 375.586 3.462 20 30 GGEDRO CCC[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1CCOC ZINC000121924880 1414309646 /nfs/dbraw/zinc/30/96/46/1414309646.db2.gz WSFMNKQKZNYQEI-GOSISDBHSA-N 1 0 384.442 3.369 20 30 GGEDRO COc1ccc(SCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000122069583 1414354218 /nfs/dbraw/zinc/35/42/18/1414354218.db2.gz FITXCGAFTVXKEE-UHFFFAOYSA-N 1 0 383.517 3.249 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000122116940 1414366729 /nfs/dbraw/zinc/36/67/29/1414366729.db2.gz VATOBYQJQPLRCE-UHFFFAOYSA-N 1 0 392.459 3.218 20 30 GGEDRO N#Cc1ccccc1-c1ccc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)cc1 ZINC000122157822 1414376583 /nfs/dbraw/zinc/37/65/83/1414376583.db2.gz CXNIFHHTWMIYER-SFHVURJKSA-N 1 0 378.394 3.333 20 30 GGEDRO C=CCc1ccc(OCC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c(OC)c1 ZINC000122177209 1414380474 /nfs/dbraw/zinc/38/04/74/1414380474.db2.gz NNHFAXZQVHHKJG-UHFFFAOYSA-N 1 0 386.467 3.320 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000122414586 1414452174 /nfs/dbraw/zinc/45/21/74/1414452174.db2.gz BKJBXRGMVBUXNY-HNNXBMFYSA-N 1 0 399.457 3.026 20 30 GGEDRO CN(C)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122487534 1414478848 /nfs/dbraw/zinc/47/88/48/1414478848.db2.gz UCHQELBSKWYCLH-UHFFFAOYSA-N 1 0 377.492 3.364 20 30 GGEDRO N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000122493542 1414480342 /nfs/dbraw/zinc/48/03/42/1414480342.db2.gz WNAHDAPDZRJFFC-SFTDATJTSA-N 1 0 395.528 3.233 20 30 GGEDRO N#Cc1cccc(NCC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000122691444 1414539762 /nfs/dbraw/zinc/53/97/62/1414539762.db2.gz MGPKFFBEGJSAJF-UHFFFAOYSA-N 1 0 378.476 3.474 20 30 GGEDRO COc1cc(C[NH2+]C2(C(N)=O)CCCCC2)ccc1OCc1cccc(C#N)c1 ZINC000122936585 1414600684 /nfs/dbraw/zinc/60/06/84/1414600684.db2.gz IVEKBMHRRLUYGB-UHFFFAOYSA-N 1 0 393.487 3.424 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123075877 1414634656 /nfs/dbraw/zinc/63/46/56/1414634656.db2.gz HHYZCLZISMIXCW-YWZLYKJASA-N 1 0 399.466 3.108 20 30 GGEDRO N#Cc1ccc(CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000123241523 1414676776 /nfs/dbraw/zinc/67/67/76/1414676776.db2.gz XRWATCPJRWFYQF-GOSISDBHSA-N 1 0 381.549 3.049 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000123252211 1414679099 /nfs/dbraw/zinc/67/90/99/1414679099.db2.gz AFRYNEUCKXXUPY-UHFFFAOYSA-N 1 0 379.435 3.064 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1c(F)cccc1F ZINC000123291720 1414689259 /nfs/dbraw/zinc/68/92/59/1414689259.db2.gz XSVKZCVQBPRQHP-UHFFFAOYSA-N 1 0 386.446 3.152 20 30 GGEDRO N#Cc1ccccc1/C=C/C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000177671816 1428829734 /nfs/dbraw/zinc/82/97/34/1428829734.db2.gz DEZALZJRVLOMER-CMDGGOBGSA-N 1 0 375.472 3.414 20 30 GGEDRO C=CCCCCCN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000123399495 1414717037 /nfs/dbraw/zinc/71/70/37/1414717037.db2.gz MXCFTALMHBMADE-UHFFFAOYSA-N 1 0 389.565 3.379 20 30 GGEDRO Cc1nc(CCNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)sc1C ZINC000123533636 1414765909 /nfs/dbraw/zinc/76/59/09/1414765909.db2.gz AOJMGXQKYYIVNL-UHFFFAOYSA-N 1 0 377.945 3.093 20 30 GGEDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]Cc1cc(C#N)cs1)CC2 ZINC000177698400 1428835830 /nfs/dbraw/zinc/83/58/30/1428835830.db2.gz BKYJIAKZCHULTO-UHFFFAOYSA-N 1 0 399.516 3.092 20 30 GGEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2cc(C#N)ccc2C(F)(F)F)c1 ZINC000123586736 1414783692 /nfs/dbraw/zinc/78/36/92/1414783692.db2.gz ZFPJVGCQRCAEJL-UHFFFAOYSA-N 1 0 390.409 3.481 20 30 GGEDRO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c(F)c1 ZINC000177709090 1428839542 /nfs/dbraw/zinc/83/95/42/1428839542.db2.gz VSUUOGVNVWCEBA-GOSISDBHSA-N 1 0 384.499 3.001 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000123831613 1414831674 /nfs/dbraw/zinc/83/16/74/1414831674.db2.gz CZGQJIMWNVRCCI-IBGZPJMESA-N 1 0 389.499 3.016 20 30 GGEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cnc(N3CCOCC3)s2)cc1 ZINC000177714851 1428840528 /nfs/dbraw/zinc/84/05/28/1428840528.db2.gz ZZKLZEXTPWYZHZ-UHFFFAOYSA-N 1 0 381.423 3.140 20 30 GGEDRO CN(C)C(=O)COc1ccccc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177715155 1428840540 /nfs/dbraw/zinc/84/05/40/1428840540.db2.gz AQBUWCIABXGICV-UHFFFAOYSA-N 1 0 390.405 3.314 20 30 GGEDRO C=CCCOCCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000123900221 1414846297 /nfs/dbraw/zinc/84/62/97/1414846297.db2.gz MBRACRPTFHQPHZ-UHFFFAOYSA-N 1 0 379.932 3.444 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000124000223 1414866172 /nfs/dbraw/zinc/86/61/72/1414866172.db2.gz LFDFBTIXCKKRNW-UHFFFAOYSA-N 1 0 385.508 3.038 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1Cl ZINC000123999443 1414866336 /nfs/dbraw/zinc/86/63/36/1414866336.db2.gz AFABUWRAKFDUCC-IBGZPJMESA-N 1 0 396.878 3.103 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc1Cl ZINC000124006384 1414867800 /nfs/dbraw/zinc/86/78/00/1414867800.db2.gz KGCYWRSCEKJCQJ-IBGZPJMESA-N 1 0 396.878 3.103 20 30 GGEDRO C[C@H]1CCN(C(=O)NCCSCc2ccccc2C#N)C[C@@H]1n1ccnc1 ZINC000177733444 1428844604 /nfs/dbraw/zinc/84/46/04/1428844604.db2.gz LHZWJIOLPMIXLF-LPHOPBHVSA-N 1 0 383.521 3.281 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124097217 1414885614 /nfs/dbraw/zinc/88/56/14/1414885614.db2.gz QMCZMZLCCXWVQH-FQEVSTJZSA-N 1 0 393.466 3.268 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000124256453 1414922138 /nfs/dbraw/zinc/92/21/38/1414922138.db2.gz RKHQCPFMONDZIP-OAQYLSRUSA-N 1 0 393.487 3.143 20 30 GGEDRO CN(CC(=O)c1cn(CCC#N)c2ccccc12)CC(C)(C)CN1CCOCC1 ZINC000124299773 1414932833 /nfs/dbraw/zinc/93/28/33/1414932833.db2.gz PJQFEIFSPNJPJZ-UHFFFAOYSA-N 1 0 396.535 3.028 20 30 GGEDRO N#Cc1cc(F)c(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c(F)c1 ZINC000124352317 1414947452 /nfs/dbraw/zinc/94/74/52/1414947452.db2.gz UVAVRHZQIIDXBZ-UHFFFAOYSA-N 1 0 397.491 3.113 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(ccn3CC(C)C)c2)CC1 ZINC000124543748 1414990683 /nfs/dbraw/zinc/99/06/83/1414990683.db2.gz XNNIMYPMSXXQND-UHFFFAOYSA-N 1 0 396.535 3.393 20 30 GGEDRO C#CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000124582626 1414999137 /nfs/dbraw/zinc/99/91/37/1414999137.db2.gz KNXCLDPJJATGNN-PKTZIBPZSA-N 1 0 397.563 3.108 20 30 GGEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000177823449 1428865572 /nfs/dbraw/zinc/86/55/72/1428865572.db2.gz GFCIVPQEJXEWPR-HNNXBMFYSA-N 1 0 389.546 3.050 20 30 GGEDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000177827303 1428866150 /nfs/dbraw/zinc/86/61/50/1428866150.db2.gz WYUMSKAPRDOGGS-UHFFFAOYSA-N 1 0 383.517 3.360 20 30 GGEDRO N#CCSc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000125160557 1415121228 /nfs/dbraw/zinc/12/12/28/1415121228.db2.gz DYHMZUSEXPEKHG-FQEVSTJZSA-N 1 0 395.528 3.189 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NCC(=O)N(C)C)cc1 ZINC000125165760 1415122344 /nfs/dbraw/zinc/12/23/44/1415122344.db2.gz NPAWFAGKJMYFJN-UHFFFAOYSA-O 1 0 398.552 3.023 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)[C@H]2CCSC2)c1=S ZINC000125172452 1415123830 /nfs/dbraw/zinc/12/38/30/1415123830.db2.gz BBHJDJORXZWALA-INIZCTEOSA-N 1 0 381.615 3.023 20 30 GGEDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000125325534 1415164734 /nfs/dbraw/zinc/16/47/34/1415164734.db2.gz PWXHYVSNZLMBHQ-UHFFFAOYSA-N 1 0 394.475 3.005 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125371824 1415178641 /nfs/dbraw/zinc/17/86/41/1415178641.db2.gz QPSCTFONJBYFSB-CABCVRRESA-N 1 0 397.491 3.112 20 30 GGEDRO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125487851 1415212664 /nfs/dbraw/zinc/21/26/64/1415212664.db2.gz VVKYNRPWFMMJHT-CABCVRRESA-N 1 0 382.512 3.269 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)CC1 ZINC000125614161 1415238185 /nfs/dbraw/zinc/23/81/85/1415238185.db2.gz FXCUZLWUMNHEGX-HXUWFJFHSA-N 1 0 387.524 3.002 20 30 GGEDRO Cc1cccc(NC2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000125677653 1415252741 /nfs/dbraw/zinc/25/27/41/1415252741.db2.gz IFXOLWJHEJOLRC-QFIPXVFZSA-N 1 0 379.504 3.377 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000125802338 1415284928 /nfs/dbraw/zinc/28/49/28/1415284928.db2.gz RHTMDYPETDNICR-UHFFFAOYSA-N 1 0 387.487 3.007 20 30 GGEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000177912308 1428889936 /nfs/dbraw/zinc/88/99/36/1428889936.db2.gz DURMFJTWCPYPKY-GOSISDBHSA-N 1 0 391.581 3.162 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(OC(F)F)cc1 ZINC000125808462 1415286531 /nfs/dbraw/zinc/28/65/31/1415286531.db2.gz VORBOSWTWWDRLA-PBHICJAKSA-N 1 0 376.403 3.445 20 30 GGEDRO C[NH+](C)CCN1CCC(NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000125877600 1415303217 /nfs/dbraw/zinc/30/32/17/1415303217.db2.gz LYECPJATDKKVEV-UHFFFAOYSA-N 1 0 390.531 3.234 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000125972454 1415326479 /nfs/dbraw/zinc/32/64/79/1415326479.db2.gz ZNLCYSRACIOPCJ-SFHVURJKSA-N 1 0 387.499 3.471 20 30 GGEDRO CCc1noc(CC)c1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000125978827 1415328058 /nfs/dbraw/zinc/32/80/58/1415328058.db2.gz HWIBRQKXZGQJGF-UHFFFAOYSA-N 1 0 395.507 3.089 20 30 GGEDRO CC[NH+]=C(NCCc1c[nH]c2c1cccc2C)N[C@H]1CCCn2nc(C)nc21 ZINC000126025714 1415339353 /nfs/dbraw/zinc/33/93/53/1415339353.db2.gz RCVMJILGWUPOKP-SFHVURJKSA-N 1 0 379.512 3.009 20 30 GGEDRO COC(=O)CC(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000177926034 1428893130 /nfs/dbraw/zinc/89/31/30/1428893130.db2.gz LMTVLUNBCLSRKR-UHFFFAOYSA-N 1 0 377.510 3.149 20 30 GGEDRO N#Cc1c[nH]c(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000177930995 1428893932 /nfs/dbraw/zinc/89/39/32/1428893932.db2.gz BNECKCLZRYTONO-MRXNPFEDSA-N 1 0 390.409 3.413 20 30 GGEDRO N#Cc1c[nH]c(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000177930972 1428893977 /nfs/dbraw/zinc/89/39/77/1428893977.db2.gz BNECKCLZRYTONO-INIZCTEOSA-N 1 0 390.409 3.413 20 30 GGEDRO C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000126131492 1415366320 /nfs/dbraw/zinc/36/63/20/1415366320.db2.gz LBXFEYVJZVIVKU-YQHFOJDRSA-N 1 0 383.517 3.211 20 30 GGEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)CC1 ZINC000177988541 1428917679 /nfs/dbraw/zinc/91/76/79/1428917679.db2.gz VHCCTQWKDJHCLL-UHFFFAOYSA-N 1 0 392.503 3.496 20 30 GGEDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC000126173654 1415376642 /nfs/dbraw/zinc/37/66/42/1415376642.db2.gz BZZDEMNZJIIYBU-UHFFFAOYSA-N 1 0 397.544 3.228 20 30 GGEDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000126186505 1415379725 /nfs/dbraw/zinc/37/97/25/1415379725.db2.gz KBAPSGWASGZWBS-UHFFFAOYSA-N 1 0 397.544 3.477 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 ZINC000126210377 1415384872 /nfs/dbraw/zinc/38/48/72/1415384872.db2.gz HROJFEBWAUUNFC-GOSISDBHSA-N 1 0 395.551 3.451 20 30 GGEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cc1 ZINC000126213177 1415386222 /nfs/dbraw/zinc/38/62/22/1415386222.db2.gz MOYPFDWMZMIEBC-UHFFFAOYSA-N 1 0 397.544 3.431 20 30 GGEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000126250570 1415394075 /nfs/dbraw/zinc/39/40/75/1415394075.db2.gz VQDFGRQTXGOPAT-UHFFFAOYSA-N 1 0 395.528 3.185 20 30 GGEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2ccccc2OCCN2CCOCC2)C1 ZINC000126304931 1415412769 /nfs/dbraw/zinc/41/27/69/1415412769.db2.gz PRVQIRKTOTZZID-UHFFFAOYSA-N 1 0 391.515 3.111 20 30 GGEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000126393713 1415436505 /nfs/dbraw/zinc/43/65/05/1415436505.db2.gz QSDLYPRDRLPWCN-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178007718 1428931389 /nfs/dbraw/zinc/93/13/89/1428931389.db2.gz PFDVETXDATXSIL-OAGGEKHMSA-N 1 0 388.537 3.008 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000178007732 1428931902 /nfs/dbraw/zinc/93/19/02/1428931902.db2.gz PFDVETXDATXSIL-JYJNAYRXSA-N 1 0 388.537 3.008 20 30 GGEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126427416 1415450355 /nfs/dbraw/zinc/45/03/55/1415450355.db2.gz YUJVOVSZRLYEHI-NQIIRXRSSA-N 1 0 394.519 3.142 20 30 GGEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126427899 1415450504 /nfs/dbraw/zinc/45/05/04/1415450504.db2.gz YUJVOVSZRLYEHI-RXVVDRJESA-N 1 0 394.519 3.142 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000177996880 1428922269 /nfs/dbraw/zinc/92/22/69/1428922269.db2.gz OEMPQJUIASYSHE-SFTDATJTSA-N 1 0 382.508 3.011 20 30 GGEDRO Cc1nc(SCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C#N)c(C)c1C ZINC000126645264 1415516193 /nfs/dbraw/zinc/51/61/93/1415516193.db2.gz SVGLNOZZXCSMRI-FXAWDEMLSA-N 1 0 398.576 3.446 20 30 GGEDRO COC(=O)c1cc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)oc1C ZINC000126650359 1415517006 /nfs/dbraw/zinc/51/70/06/1415517006.db2.gz LZBJQJSPEUQLDC-UHFFFAOYSA-N 1 0 389.839 3.360 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000126779886 1415556350 /nfs/dbraw/zinc/55/63/50/1415556350.db2.gz AEBHAVCSTXFTFF-MRXNPFEDSA-N 1 0 386.323 3.367 20 30 GGEDRO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000178041842 1428953216 /nfs/dbraw/zinc/95/32/16/1428953216.db2.gz FRJBKGOCDLPZRW-FQEVSTJZSA-N 1 0 377.488 3.469 20 30 GGEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000126953680 1415616928 /nfs/dbraw/zinc/61/69/28/1415616928.db2.gz SMPNZDBCJXYTKC-MRXNPFEDSA-N 1 0 386.517 3.296 20 30 GGEDRO Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000127006869 1415633198 /nfs/dbraw/zinc/63/31/98/1415633198.db2.gz LQQASNAMACZVPT-INIZCTEOSA-N 1 0 380.492 3.391 20 30 GGEDRO Cc1ccc(CNC(=O)C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cc1F ZINC000127096525 1415660100 /nfs/dbraw/zinc/66/01/00/1415660100.db2.gz UXFLWARBANOUQF-QFIPXVFZSA-N 1 0 395.478 3.068 20 30 GGEDRO C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000127196755 1415683795 /nfs/dbraw/zinc/68/37/95/1415683795.db2.gz TVNREPUSLQIIDB-KRWDZBQOSA-N 1 0 377.488 3.279 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)COc3cccc4[nH]ccc43)CC2)c1 ZINC000127203367 1415685269 /nfs/dbraw/zinc/68/52/69/1415685269.db2.gz KINYCUWKEJSLBO-SFHVURJKSA-N 1 0 391.471 3.323 20 30 GGEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000127244213 1415700787 /nfs/dbraw/zinc/70/07/87/1415700787.db2.gz TXDGMSLSOCNERJ-QGZVFWFLSA-N 1 0 379.460 3.288 20 30 GGEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000127244434 1415700824 /nfs/dbraw/zinc/70/08/24/1415700824.db2.gz TXDGMSLSOCNERJ-KRWDZBQOSA-N 1 0 379.460 3.288 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)ccc1OC ZINC000127287814 1415720385 /nfs/dbraw/zinc/72/03/85/1415720385.db2.gz OBTOJKZVVPKYRT-UHFFFAOYSA-N 1 0 375.490 3.343 20 30 GGEDRO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1OCC(=O)N1CCCC1 ZINC000127293732 1415722284 /nfs/dbraw/zinc/72/22/84/1415722284.db2.gz CKTBZHZMZVAWBJ-UHFFFAOYSA-N 1 0 393.487 3.200 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178105884 1428983931 /nfs/dbraw/zinc/98/39/31/1428983931.db2.gz CGPGSDNWZAUXLS-HNNXBMFYSA-N 1 0 398.425 3.065 20 30 GGEDRO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000127585791 1415814162 /nfs/dbraw/zinc/81/41/62/1415814162.db2.gz BEIQQOSNPMPGCW-UONOGXRCSA-N 1 0 380.448 3.203 20 30 GGEDRO CCOC(=O)c1sc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1C ZINC000127614621 1415820322 /nfs/dbraw/zinc/82/03/22/1415820322.db2.gz LLLSBYSUDQNAJV-UHFFFAOYSA-N 1 0 384.505 3.212 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)Cc3cccc(C#N)c3)cc2)C1 ZINC000127738411 1415841795 /nfs/dbraw/zinc/84/17/95/1415841795.db2.gz LIKNPECQUQAQCV-SFHVURJKSA-N 1 0 397.544 3.410 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1 ZINC000127777521 1415848948 /nfs/dbraw/zinc/84/89/48/1415848948.db2.gz ULHPWJKTWZJAMR-UHFFFAOYSA-N 1 0 377.444 3.187 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC([NH+](C)C)CC2)c1C#N ZINC000127940140 1415879320 /nfs/dbraw/zinc/87/93/20/1415879320.db2.gz IHGBYTDOXDMOIB-UHFFFAOYSA-N 1 0 385.556 3.446 20 30 GGEDRO COc1ccc(C#N)cc1C[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000128043705 1415899940 /nfs/dbraw/zinc/89/99/40/1415899940.db2.gz XJHHKPBXFSJZMN-KRWDZBQOSA-N 1 0 394.393 3.457 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ncc(-c3ccccc3)o2)c1C#N ZINC000128124591 1415918441 /nfs/dbraw/zinc/91/84/41/1415918441.db2.gz VVPRMASAQVFYQS-UHFFFAOYSA-N 1 0 392.463 3.050 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1C#N ZINC000128123245 1415918449 /nfs/dbraw/zinc/91/84/49/1415918449.db2.gz WWMWONHCTXYSHO-UHFFFAOYSA-N 1 0 384.465 3.019 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1C#N ZINC000128147692 1415924817 /nfs/dbraw/zinc/92/48/17/1415924817.db2.gz DWRRJHWRBVKQES-UHFFFAOYSA-N 1 0 389.459 3.265 20 30 GGEDRO CC[C@@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000128176842 1415932022 /nfs/dbraw/zinc/93/20/22/1415932022.db2.gz VROGYODPEURIKW-QRWLVFNGSA-N 1 0 376.460 3.129 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)c1C#N ZINC000128197202 1415936802 /nfs/dbraw/zinc/93/68/02/1415936802.db2.gz VFKBDKBMIVBSNU-HNNXBMFYSA-N 1 0 383.496 3.271 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1C#N ZINC000128212680 1415940320 /nfs/dbraw/zinc/94/03/20/1415940320.db2.gz NJBARKAGRRAFSI-AWEZNQCLSA-N 1 0 391.475 3.337 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000128454844 1415991024 /nfs/dbraw/zinc/99/10/24/1415991024.db2.gz ITNYKNSPWZMWET-INIZCTEOSA-N 1 0 394.922 3.398 20 30 GGEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000178257725 1429035775 /nfs/dbraw/zinc/03/57/75/1429035775.db2.gz HBJUMDXCCBYODN-RTBURBONSA-N 1 0 383.536 3.229 20 30 GGEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000128481699 1415997265 /nfs/dbraw/zinc/99/72/65/1415997265.db2.gz XRVSZINJYFQWTM-LJQANCHMSA-N 1 0 384.524 3.053 20 30 GGEDRO N#Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1N1CCC(O)CC1 ZINC000178294492 1429044449 /nfs/dbraw/zinc/04/44/49/1429044449.db2.gz OXRSRZHGHWPYJN-QGZVFWFLSA-N 1 0 396.535 3.112 20 30 GGEDRO C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000128613229 1416025103 /nfs/dbraw/zinc/02/51/03/1416025103.db2.gz ITTFVMKPUQAXFI-MRXNPFEDSA-N 1 0 375.517 3.233 20 30 GGEDRO C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000128613424 1416025387 /nfs/dbraw/zinc/02/53/87/1416025387.db2.gz ITTFVMKPUQAXFI-INIZCTEOSA-N 1 0 375.517 3.233 20 30 GGEDRO N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1Cl ZINC000128672749 1416039348 /nfs/dbraw/zinc/03/93/48/1416039348.db2.gz KGQWCHJSNMBMNF-UHFFFAOYSA-N 1 0 383.879 3.098 20 30 GGEDRO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000178327617 1429052135 /nfs/dbraw/zinc/05/21/35/1429052135.db2.gz ZRSJYOSVKRKPPS-UHFFFAOYSA-N 1 0 388.512 3.352 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000128771227 1416064250 /nfs/dbraw/zinc/06/42/50/1416064250.db2.gz ZOYKSLKCKJSISY-QGZVFWFLSA-N 1 0 386.879 3.495 20 30 GGEDRO Cc1ccc(C(=O)N2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)cc1F ZINC000128830274 1416079863 /nfs/dbraw/zinc/07/98/63/1416079863.db2.gz NIXLTRNFTQAFNU-UHFFFAOYSA-N 1 0 394.494 3.442 20 30 GGEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000178356041 1429059775 /nfs/dbraw/zinc/05/97/75/1429059775.db2.gz ZGBKBXSQENXLKF-UHFFFAOYSA-N 1 0 388.874 3.448 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000128996185 1416122006 /nfs/dbraw/zinc/12/20/06/1416122006.db2.gz SWDRUVSNRDVCNU-QGZVFWFLSA-N 1 0 381.451 3.465 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000129046579 1416133186 /nfs/dbraw/zinc/13/31/86/1416133186.db2.gz XWEKRQCGOYTWJO-FTSJTYPLSA-N 1 0 382.508 3.173 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000129109351 1416147039 /nfs/dbraw/zinc/14/70/39/1416147039.db2.gz WZGDPHOBLQINRQ-SFTDATJTSA-N 1 0 389.515 3.464 20 30 GGEDRO C[NH+](C)CCOc1cc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000129120419 1416149648 /nfs/dbraw/zinc/14/96/48/1416149648.db2.gz SOCQGRHCLLKDMC-UHFFFAOYSA-N 1 0 381.480 3.145 20 30 GGEDRO C[C@@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1n1ccnc1 ZINC000129583447 1416232122 /nfs/dbraw/zinc/23/21/22/1416232122.db2.gz NKEUZZZPBLDSEL-APWZRJJASA-N 1 0 385.899 3.366 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccsc1 ZINC000178416870 1429073125 /nfs/dbraw/zinc/07/31/25/1429073125.db2.gz LQKJTAFGXPJLMG-SFHVURJKSA-N 1 0 384.505 3.066 20 30 GGEDRO N#Cc1cccc(COc2cccc(CN3CC[NH+](C4CCOCC4)CC3)c2)c1 ZINC000129786091 1416263458 /nfs/dbraw/zinc/26/34/58/1416263458.db2.gz UNTSDHLEUWQPAK-UHFFFAOYSA-N 1 0 391.515 3.434 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(OC2CCC2)c1 ZINC000129820658 1416268789 /nfs/dbraw/zinc/26/87/89/1416268789.db2.gz BJJUCWPLTGFCDO-UHFFFAOYSA-N 1 0 378.476 3.089 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000129884139 1416279582 /nfs/dbraw/zinc/27/95/82/1416279582.db2.gz MPIWBTMGHVLJEY-UHFFFAOYSA-N 1 0 377.275 3.464 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000129911516 1416283995 /nfs/dbraw/zinc/28/39/95/1416283995.db2.gz QTTYZZOWYVFMPT-KRWDZBQOSA-N 1 0 395.503 3.436 20 30 GGEDRO CC(C)(O)C[NH+]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000130007959 1416301429 /nfs/dbraw/zinc/30/14/29/1416301429.db2.gz NKILANQQGOKRLG-UHFFFAOYSA-N 1 0 379.504 3.026 20 30 GGEDRO C=CCC[C@H](O)C[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000130035999 1416306273 /nfs/dbraw/zinc/30/62/73/1416306273.db2.gz WCJIULBHWYTPIR-IBGZPJMESA-N 1 0 375.513 3.394 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1c(C)cccc1C ZINC000130060166 1416310198 /nfs/dbraw/zinc/31/01/98/1416310198.db2.gz DOUUSJLTFBFWMZ-UHFFFAOYSA-N 1 0 378.476 3.464 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c1 ZINC000130074475 1416312888 /nfs/dbraw/zinc/31/28/88/1416312888.db2.gz MJLHTEOWQNFKJZ-SFHVURJKSA-N 1 0 389.499 3.386 20 30 GGEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000130116629 1416321263 /nfs/dbraw/zinc/32/12/63/1416321263.db2.gz IYNHPBJRDYJATJ-UHFFFAOYSA-N 1 0 394.475 3.316 20 30 GGEDRO N#Cc1ccc(CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C2CC2)cc1 ZINC000178487128 1429088550 /nfs/dbraw/zinc/08/85/50/1429088550.db2.gz ARIYGHQIOQHWSI-VXKWHMMOSA-N 1 0 396.535 3.000 20 30 GGEDRO CNC(=O)C(C)(C)CNC(N[C@H](C)c1cc(F)c(Cl)cc1Cl)=[NH+]C ZINC000178485442 1429088723 /nfs/dbraw/zinc/08/87/23/1429088723.db2.gz UYMJRNKUMWTJPF-SECBINFHSA-N 1 0 377.291 3.131 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2nnc(C(F)F)n2c1)C(C)C ZINC000130359713 1416364728 /nfs/dbraw/zinc/36/47/28/1416364728.db2.gz PWRJDHYPXVQIMB-OAHLLOKOSA-N 1 0 377.439 3.095 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccc(C)c1C#N ZINC000130380600 1416367956 /nfs/dbraw/zinc/36/79/56/1416367956.db2.gz YJJSFBDXTZTLHT-ICSRJNTNSA-N 1 0 381.501 3.172 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccc(C)c1C#N ZINC000130380849 1416367986 /nfs/dbraw/zinc/36/79/86/1416367986.db2.gz YJJSFBDXTZTLHT-QUCCMNQESA-N 1 0 381.501 3.172 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)CC1 ZINC000130380963 1416368140 /nfs/dbraw/zinc/36/81/40/1416368140.db2.gz ODYIEOSOGMRJPW-UHFFFAOYSA-N 1 0 398.482 3.083 20 30 GGEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130448258 1416380026 /nfs/dbraw/zinc/38/00/26/1416380026.db2.gz NWVHFCDFIFQYPV-UHFFFAOYSA-N 1 0 375.428 3.269 20 30 GGEDRO COc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000130464965 1416382267 /nfs/dbraw/zinc/38/22/67/1416382267.db2.gz ZCWGIDKGTSZNHM-KRWDZBQOSA-N 1 0 387.867 3.347 20 30 GGEDRO C=CCOc1cc(OC)ccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000130509111 1416390682 /nfs/dbraw/zinc/39/06/82/1416390682.db2.gz CFYVRCVIOMSTGO-UHFFFAOYSA-N 1 0 381.476 3.301 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000178527398 1429097179 /nfs/dbraw/zinc/09/71/79/1429097179.db2.gz VJCVPKZAGOMSOR-KRWDZBQOSA-N 1 0 396.535 3.308 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000130620125 1416411783 /nfs/dbraw/zinc/41/17/83/1416411783.db2.gz PKQNLCPREIVOQZ-NHCUHLMSSA-N 1 0 392.503 3.245 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c1C#N ZINC000130661116 1416419834 /nfs/dbraw/zinc/41/98/34/1416419834.db2.gz DSTYWAOCOOCFSE-IEBWSBKVSA-N 1 0 399.539 3.054 20 30 GGEDRO Cc1noc(C)c1[C@H](C)CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000130744216 1416440843 /nfs/dbraw/zinc/44/08/43/1416440843.db2.gz MLXYJWFVKWSTGA-CYBMUJFWSA-N 1 0 375.904 3.185 20 30 GGEDRO CCOc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000130755121 1416443039 /nfs/dbraw/zinc/44/30/39/1416443039.db2.gz QRYPPRPYCWEOCB-KRWDZBQOSA-N 1 0 395.503 3.444 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130779068 1416448553 /nfs/dbraw/zinc/44/85/53/1416448553.db2.gz KHGOGVIOCNFHDM-UHFFFAOYSA-N 1 0 387.465 3.026 20 30 GGEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000130844953 1416466521 /nfs/dbraw/zinc/46/65/21/1416466521.db2.gz VCPGGCZHDNMFCU-UHFFFAOYSA-N 1 0 385.471 3.257 20 30 GGEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000130866977 1416471276 /nfs/dbraw/zinc/47/12/76/1416471276.db2.gz LVQRRAHWPQAHFS-ZDUSSCGKSA-N 1 0 395.912 3.328 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)Cc1cccc(OCC#N)c1)[NH+]1CCCC1 ZINC000130898571 1416477905 /nfs/dbraw/zinc/47/79/05/1416477905.db2.gz MLLFIMWBWACUMR-NRFANRHFSA-N 1 0 393.487 3.093 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000131082327 1416506046 /nfs/dbraw/zinc/50/60/46/1416506046.db2.gz KRSSZUOZYOOULB-HXUWFJFHSA-N 1 0 398.551 3.479 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC[C@@H]2CCOC2)c1 ZINC000178542461 1429102450 /nfs/dbraw/zinc/10/24/50/1429102450.db2.gz XGIHSYUAMDRBNL-KRWDZBQOSA-O 1 0 395.548 3.336 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC[C@H]2CCOC2)c1 ZINC000178542473 1429102637 /nfs/dbraw/zinc/10/26/37/1429102637.db2.gz XGIHSYUAMDRBNL-QGZVFWFLSA-O 1 0 395.548 3.336 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccccc2OC)C(=S)NCc2ccon2)cc1 ZINC000131215366 1416524845 /nfs/dbraw/zinc/52/48/45/1416524845.db2.gz AOWQSRQGVTZPMW-UHFFFAOYSA-O 1 0 396.492 3.262 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1cccc(C)c1 ZINC000131262542 1416531698 /nfs/dbraw/zinc/53/16/98/1416531698.db2.gz VVWGSZHLFWZZEM-UHFFFAOYSA-O 1 0 390.510 3.082 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000131265307 1416532252 /nfs/dbraw/zinc/53/22/52/1416532252.db2.gz USOAZPHNHCHWHJ-UHFFFAOYSA-O 1 0 388.582 3.240 20 30 GGEDRO C=CCOc1cccc(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000131304942 1416537432 /nfs/dbraw/zinc/53/74/32/1416537432.db2.gz ODOFYPSVYBXXIK-UXHICEINSA-N 1 0 381.476 3.008 20 30 GGEDRO Cn1ccnc1C[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000131306106 1416537650 /nfs/dbraw/zinc/53/76/50/1416537650.db2.gz AZNSNGAYGAWRSX-QGZVFWFLSA-N 1 0 399.926 3.275 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1cccc(C)c1 ZINC000131309858 1416538281 /nfs/dbraw/zinc/53/82/81/1416538281.db2.gz BFWAQYFXRAMAGL-UHFFFAOYSA-O 1 0 387.550 3.109 20 30 GGEDRO C=CCn1c(=S)n(CN2CC[C@H](C[NH+]3CCCC3)C2)nc1-c1cccnc1 ZINC000131378611 1416547395 /nfs/dbraw/zinc/54/73/95/1416547395.db2.gz VRSMQXJVFCXNAL-QGZVFWFLSA-N 1 0 384.553 3.037 20 30 GGEDRO N#CCOc1cccc(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000131378203 1416547480 /nfs/dbraw/zinc/54/74/80/1416547480.db2.gz MPJKDESFHSMEQP-UHFFFAOYSA-N 1 0 377.488 3.434 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)Nc2cccc(F)c2F)c1 ZINC000131414494 1416554062 /nfs/dbraw/zinc/55/40/62/1416554062.db2.gz MBRPLLNQULDCOD-UHFFFAOYSA-O 1 0 387.435 3.345 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCCCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000178570366 1429110017 /nfs/dbraw/zinc/11/00/17/1429110017.db2.gz MZMFCTFAJWRIOY-UHFFFAOYSA-N 1 0 386.452 3.039 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000131636443 1416587634 /nfs/dbraw/zinc/58/76/34/1416587634.db2.gz DIJKZRLEXTZZIM-PMACEKPBSA-N 1 0 399.535 3.148 20 30 GGEDRO N#Cc1ccc(Oc2cccc(C(=O)NCCCC[N@H+]3CCC[C@H]3CO)c2)cc1 ZINC000131660565 1416592000 /nfs/dbraw/zinc/59/20/00/1416592000.db2.gz AENSCEDQHVKEQD-FQEVSTJZSA-N 1 0 393.487 3.317 20 30 GGEDRO N#Cc1ccc(Oc2cccc(C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)c2)cc1 ZINC000131660354 1416592347 /nfs/dbraw/zinc/59/23/47/1416592347.db2.gz AENSCEDQHVKEQD-HXUWFJFHSA-N 1 0 393.487 3.317 20 30 GGEDRO [NH2+]=C(NCc1ccc(Cn2cncn2)cc1)Nc1ccccc1OC(F)(F)F ZINC000178573737 1429110449 /nfs/dbraw/zinc/11/04/49/1429110449.db2.gz XIJURYVTHNOVSC-UHFFFAOYSA-N 1 0 390.369 3.152 20 30 GGEDRO CCc1nc(CN2CCC(CNC(=[NH2+])NCCc3ccccc3)CC2)cs1 ZINC000178572534 1429110502 /nfs/dbraw/zinc/11/05/02/1429110502.db2.gz KFEMLDFGQTXNIR-UHFFFAOYSA-N 1 0 385.581 3.065 20 30 GGEDRO COC(=O)c1ccc(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000178573769 1429111268 /nfs/dbraw/zinc/11/12/68/1429111268.db2.gz LGNFBZRFXAOUKS-UHFFFAOYSA-N 1 0 381.354 3.341 20 30 GGEDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000131874970 1416639387 /nfs/dbraw/zinc/63/93/87/1416639387.db2.gz PVPUQFGMNZYFCJ-SFTDATJTSA-N 1 0 379.504 3.223 20 30 GGEDRO CC(C)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000178593176 1429115972 /nfs/dbraw/zinc/11/59/72/1429115972.db2.gz SXBJGRBXFQIGLE-QGZVFWFLSA-N 1 0 384.524 3.229 20 30 GGEDRO C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000131958043 1416659825 /nfs/dbraw/zinc/65/98/25/1416659825.db2.gz VMHRQJCBXKSJFC-NRFANRHFSA-N 1 0 380.492 3.471 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131965176 1416661746 /nfs/dbraw/zinc/66/17/46/1416661746.db2.gz YLCVAHWQJCVQES-MSOLQXFVSA-N 1 0 392.565 3.169 20 30 GGEDRO N#Cc1ccc(OCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000132023825 1416676355 /nfs/dbraw/zinc/67/63/55/1416676355.db2.gz HRVQHSQWTTWWKL-GGAORHGYSA-N 1 0 389.499 3.450 20 30 GGEDRO C=CCNc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)s1 ZINC000132046865 1416682119 /nfs/dbraw/zinc/68/21/19/1416682119.db2.gz UUHHHEJLWWKGOQ-UHFFFAOYSA-N 1 0 380.464 3.223 20 30 GGEDRO C[C@H]1CCCN(Cc2csc(NC(=O)Cc3cccc(OCC#N)c3)n2)C1 ZINC000132207387 1416717023 /nfs/dbraw/zinc/71/70/23/1416717023.db2.gz RUKSIWGEDKZMJN-HNNXBMFYSA-N 1 0 384.505 3.459 20 30 GGEDRO CCCNC(=O)C1([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)CCCCC1 ZINC000132296107 1416730794 /nfs/dbraw/zinc/73/07/94/1416730794.db2.gz XRMWWOQWQDUFBV-UHFFFAOYSA-N 1 0 398.551 3.369 20 30 GGEDRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000132321869 1416735681 /nfs/dbraw/zinc/73/56/81/1416735681.db2.gz DZOLCAXCSZZNSS-UHFFFAOYSA-N 1 0 399.539 3.159 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000132415299 1416755475 /nfs/dbraw/zinc/75/54/75/1416755475.db2.gz JBJWKCCIDJRXNU-AOMKIAJQSA-N 1 0 395.528 3.443 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@]2(CO)CCc3ccccc32)ccc1Cl ZINC000132524832 1416777898 /nfs/dbraw/zinc/77/78/98/1416777898.db2.gz TZUSZGJEXYDFID-JOCHJYFZSA-N 1 0 397.906 3.319 20 30 GGEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000132598232 1416790933 /nfs/dbraw/zinc/79/09/33/1416790933.db2.gz JKOCSOQUPBREAP-UHFFFAOYSA-N 1 0 383.473 3.389 20 30 GGEDRO CCC[C@@H]1C[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 ZINC000132598430 1416790987 /nfs/dbraw/zinc/79/09/87/1416790987.db2.gz PDIUZIOEGLLWKD-GOSISDBHSA-N 1 0 398.507 3.447 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000132656149 1416800698 /nfs/dbraw/zinc/80/06/98/1416800698.db2.gz YOVITARBHIAWDA-AWEZNQCLSA-N 1 0 379.888 3.324 20 30 GGEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000132825252 1416819786 /nfs/dbraw/zinc/81/97/86/1416819786.db2.gz XIZDJBFWSJOUKB-LJQANCHMSA-N 1 0 387.430 3.276 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc(N(C)C)cc1 ZINC000132963010 1416836206 /nfs/dbraw/zinc/83/62/06/1416836206.db2.gz RUTHTNUJUOIUOT-UHFFFAOYSA-O 1 0 384.525 3.072 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000133114336 1416853340 /nfs/dbraw/zinc/85/33/40/1416853340.db2.gz GAONXFPDCKGPLH-UHFFFAOYSA-N 1 0 395.551 3.373 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1C#N ZINC000133205334 1416864283 /nfs/dbraw/zinc/86/42/83/1416864283.db2.gz PRACUCLRRBRJEV-UHFFFAOYSA-N 1 0 399.458 3.025 20 30 GGEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000133212316 1416864960 /nfs/dbraw/zinc/86/49/60/1416864960.db2.gz MMGPPWCCXHSFQE-UHFFFAOYSA-N 1 0 377.488 3.254 20 30 GGEDRO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000133239375 1416868917 /nfs/dbraw/zinc/86/89/17/1416868917.db2.gz DTKYOKSYZFSCRK-UHFFFAOYSA-N 1 0 384.524 3.052 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1C#N ZINC000133243682 1416869243 /nfs/dbraw/zinc/86/92/43/1416869243.db2.gz ZWZUAYIYVNOIPN-ZIAGYGMSSA-N 1 0 391.397 3.194 20 30 GGEDRO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000133251324 1416870381 /nfs/dbraw/zinc/87/03/81/1416870381.db2.gz JBDPCTFLOZWHAM-UHFFFAOYSA-N 1 0 384.524 3.052 20 30 GGEDRO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000133260036 1416871212 /nfs/dbraw/zinc/87/12/12/1416871212.db2.gz JQVQKDCAJZBDRW-UHFFFAOYSA-N 1 0 384.524 3.399 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CCC(CCC[NH+](C)C)CC2)ccc1OCC#N ZINC000133292459 1416875190 /nfs/dbraw/zinc/87/51/90/1416875190.db2.gz YYISBJSJTGMUBQ-VQHVLOKHSA-N 1 0 385.508 3.191 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)c1C#N ZINC000133338630 1416880132 /nfs/dbraw/zinc/88/01/32/1416880132.db2.gz QFRUVYWIAGECTG-UHFFFAOYSA-N 1 0 392.438 3.250 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)c1C#N ZINC000133418417 1416888013 /nfs/dbraw/zinc/88/80/13/1416888013.db2.gz ILBLZKXLRJQFOZ-IBGZPJMESA-N 1 0 381.480 3.072 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1C#N ZINC000133420151 1416888072 /nfs/dbraw/zinc/88/80/72/1416888072.db2.gz YUZBCIMQKXLEHD-OLZOCXBDSA-N 1 0 392.290 3.482 20 30 GGEDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000133437300 1416889634 /nfs/dbraw/zinc/88/96/34/1416889634.db2.gz QSDRZKJWOGPLQC-KRWDZBQOSA-N 1 0 390.553 3.357 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(C)cc1 ZINC000133549324 1416901551 /nfs/dbraw/zinc/90/15/51/1416901551.db2.gz XZOPNHBEUIZFPH-UHFFFAOYSA-O 1 0 385.509 3.398 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1cccc(C)c1 ZINC000133553274 1416902176 /nfs/dbraw/zinc/90/21/76/1416902176.db2.gz CNDSHORERDYZET-UHFFFAOYSA-O 1 0 385.509 3.398 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1C#N ZINC000133590424 1416912142 /nfs/dbraw/zinc/91/21/42/1416912142.db2.gz FCJZLUPKIUJQGK-ZIAGYGMSSA-N 1 0 392.290 3.482 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1C#N ZINC000133590827 1416913560 /nfs/dbraw/zinc/91/35/60/1416913560.db2.gz FCJZLUPKIUJQGK-UONOGXRCSA-N 1 0 392.290 3.482 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(F)c1 ZINC000133607065 1416917835 /nfs/dbraw/zinc/91/78/35/1416917835.db2.gz ZFWBVYMKPUMKCW-FQEVSTJZSA-N 1 0 396.466 3.225 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c1C#N ZINC000133653248 1416932037 /nfs/dbraw/zinc/93/20/37/1416932037.db2.gz ZGWFJBNGJRNTNY-SNVBAGLBSA-N 1 0 396.278 3.146 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(NCC(C)(C)C)c2C)c1C#N ZINC000133677889 1416937616 /nfs/dbraw/zinc/93/76/16/1416937616.db2.gz WLQREXJDSRJLMS-UHFFFAOYSA-N 1 0 382.512 3.452 20 30 GGEDRO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CC1 ZINC000178701138 1429145722 /nfs/dbraw/zinc/14/57/22/1429145722.db2.gz CXHFAEWAMPYFIB-QGZVFWFLSA-N 1 0 384.524 3.088 20 30 GGEDRO N#Cc1ccc(Nc2cccc(C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)c2)cc1 ZINC000133820051 1416970227 /nfs/dbraw/zinc/97/02/27/1416970227.db2.gz FCDADOMAEUONTR-JOCHJYFZSA-N 1 0 392.503 3.269 20 30 GGEDRO Cc1cccc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000133912737 1416993669 /nfs/dbraw/zinc/99/36/69/1416993669.db2.gz VZVJZLQTMWYQFK-LJQANCHMSA-N 1 0 383.517 3.009 20 30 GGEDRO C=CCc1cc(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc(OC)c1OC ZINC000133925462 1416996373 /nfs/dbraw/zinc/99/63/73/1416996373.db2.gz JMHFQOJFKSGNFV-QGZVFWFLSA-N 1 0 389.540 3.209 20 30 GGEDRO C=CCc1cc(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc(OC)c1OC ZINC000133925662 1416996390 /nfs/dbraw/zinc/99/63/90/1416996390.db2.gz JMHFQOJFKSGNFV-KRWDZBQOSA-N 1 0 389.540 3.209 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000178711680 1429148618 /nfs/dbraw/zinc/14/86/18/1429148618.db2.gz MLABEDQJGALRQR-PMACEKPBSA-N 1 0 375.488 3.074 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000178711666 1429149078 /nfs/dbraw/zinc/14/90/78/1429149078.db2.gz MLABEDQJGALRQR-UXHICEINSA-N 1 0 375.488 3.074 20 30 GGEDRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000134170751 1417033166 /nfs/dbraw/zinc/03/31/66/1417033166.db2.gz STAMQIPYXFEJNP-LJQANCHMSA-N 1 0 377.510 3.149 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000134175174 1417033514 /nfs/dbraw/zinc/03/35/14/1417033514.db2.gz UHUKDHIBNWKFSI-INIZCTEOSA-N 1 0 383.496 3.180 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(Nc3nccc(C#N)c3[N+](=O)[O-])cc2F)CC1 ZINC000134182424 1417034732 /nfs/dbraw/zinc/03/47/32/1417034732.db2.gz MDRCRZVRKWJJKU-UHFFFAOYSA-N 1 0 384.415 3.275 20 30 GGEDRO O=C(c1cc(F)ccc1F)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccccc1 ZINC000134222250 1417040237 /nfs/dbraw/zinc/04/02/37/1417040237.db2.gz JDQJWYSFQONDCY-OAHLLOKOSA-O 1 0 391.463 3.350 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cc(F)c(F)cc3F)CC2)cc1 ZINC000134239318 1417042808 /nfs/dbraw/zinc/04/28/08/1417042808.db2.gz PKJNWPAFGZKVRG-UHFFFAOYSA-N 1 0 387.405 3.253 20 30 GGEDRO N#Cc1ccc(NCC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000134265297 1417046900 /nfs/dbraw/zinc/04/69/00/1417046900.db2.gz NVPYGRBNCMXVST-LJQANCHMSA-N 1 0 398.894 3.110 20 30 GGEDRO N#Cc1ccc(NCC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000134265318 1417047221 /nfs/dbraw/zinc/04/72/21/1417047221.db2.gz NVPYGRBNCMXVST-IBGZPJMESA-N 1 0 398.894 3.110 20 30 GGEDRO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000134362201 1417061168 /nfs/dbraw/zinc/06/11/68/1417061168.db2.gz SMTIHBSGMXVAEA-FQEVSTJZSA-N 1 0 383.517 3.127 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC000134376955 1417062637 /nfs/dbraw/zinc/06/26/37/1417062637.db2.gz YMIQSWZBBWMKMD-UHFFFAOYSA-N 1 0 381.476 3.491 20 30 GGEDRO CC[C@H](CNC(=O)Cc1cccc(OCC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000134520233 1417080933 /nfs/dbraw/zinc/08/09/33/1417080933.db2.gz ZYUYQSFHSBILLO-OAQYLSRUSA-N 1 0 377.488 3.085 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1OCCCC#N ZINC000134556594 1417086339 /nfs/dbraw/zinc/08/63/39/1417086339.db2.gz RQGSMZOCZKCEGE-IBGZPJMESA-N 1 0 385.508 3.258 20 30 GGEDRO N#CC1(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000134597636 1417094270 /nfs/dbraw/zinc/09/42/70/1417094270.db2.gz CJCQWDXWYIXOJJ-UHFFFAOYSA-N 1 0 388.515 3.319 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000134622165 1417098795 /nfs/dbraw/zinc/09/87/95/1417098795.db2.gz DDUKORQGEIITTA-NVXWUHKLSA-N 1 0 386.496 3.264 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000134622182 1417098970 /nfs/dbraw/zinc/09/89/70/1417098970.db2.gz DDUKORQGEIITTA-DOTOQJQBSA-N 1 0 386.496 3.264 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000134904353 1417142309 /nfs/dbraw/zinc/14/23/09/1417142309.db2.gz MQHNYNMWDBENHD-OFNKIYASSA-N 1 0 394.563 3.499 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134908552 1417143136 /nfs/dbraw/zinc/14/31/36/1417143136.db2.gz CLBXAMXCSOHJSZ-OFNKIYASSA-N 1 0 394.563 3.499 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134929869 1417147293 /nfs/dbraw/zinc/14/72/93/1417147293.db2.gz BAEIUCJEVWWBAG-UWJYYQICSA-N 1 0 393.535 3.125 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccn(CCC#N)n1 ZINC000135029650 1417164977 /nfs/dbraw/zinc/16/49/77/1417164977.db2.gz VVIURDPEJAKFGB-IAGOWNOFSA-N 1 0 380.496 3.075 20 30 GGEDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000135073441 1417170196 /nfs/dbraw/zinc/17/01/96/1417170196.db2.gz YBGINVCTQNOHOF-QGZVFWFLSA-N 1 0 394.393 3.457 20 30 GGEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@H]2CCOC2)c1C#N ZINC000178769176 1429165058 /nfs/dbraw/zinc/16/50/58/1429165058.db2.gz RIJTXIUWGJCYOK-GOSISDBHSA-N 1 0 398.482 3.071 20 30 GGEDRO C[N@H+](CCC1CC1)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000135312078 1417206397 /nfs/dbraw/zinc/20/63/97/1417206397.db2.gz BQGMBXKVTOOIBG-KRWDZBQOSA-N 1 0 384.524 3.088 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCOC2)c1C#N ZINC000178787309 1429169668 /nfs/dbraw/zinc/16/96/68/1429169668.db2.gz XZZNCIHXKDVRPS-INIZCTEOSA-N 1 0 384.455 3.012 20 30 GGEDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N2CCOCC2)o1 ZINC000135945549 1417280508 /nfs/dbraw/zinc/28/05/08/1417280508.db2.gz SYIHJSMNTUFDQC-NRFANRHFSA-N 1 0 382.508 3.101 20 30 GGEDRO C=CCNc1ncc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)s1 ZINC000136098837 1417291658 /nfs/dbraw/zinc/29/16/58/1417291658.db2.gz YYDNHDFGKLHROI-UHFFFAOYSA-N 1 0 385.537 3.444 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000136173937 1417298709 /nfs/dbraw/zinc/29/87/09/1417298709.db2.gz KMHPOXSSMWBPLK-UHFFFAOYSA-N 1 0 398.482 3.117 20 30 GGEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000136239282 1417303978 /nfs/dbraw/zinc/30/39/78/1417303978.db2.gz VYSRDTXWBWVTRF-SFHVURJKSA-N 1 0 378.904 3.215 20 30 GGEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NC[C@H]1CCOC1)[n+]1ccccc1 ZINC000136485773 1417320580 /nfs/dbraw/zinc/32/05/80/1417320580.db2.gz AIKNERPOZNLVQZ-MRXNPFEDSA-O 1 0 381.521 3.028 20 30 GGEDRO CC(C)Oc1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccccc2)cc1 ZINC000136485424 1417320686 /nfs/dbraw/zinc/32/06/86/1417320686.db2.gz ANRURZFSODCLLX-QGZVFWFLSA-O 1 0 399.536 3.326 20 30 GGEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NC[C@@H]1CCOC1)[n+]1ccccc1 ZINC000136485733 1417320717 /nfs/dbraw/zinc/32/07/17/1417320717.db2.gz AIKNERPOZNLVQZ-INIZCTEOSA-O 1 0 381.521 3.028 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2cccc(C)c2)cc1 ZINC000136511877 1417322439 /nfs/dbraw/zinc/32/24/39/1417322439.db2.gz JUHQMKBXOAVKGE-QGZVFWFLSA-O 1 0 399.536 3.246 20 30 GGEDRO O=C(c1ccc(F)c(Cl)c1)C(C(=S)NC[C@@H]1CCOC1)[n+]1ccccc1 ZINC000136509008 1417322492 /nfs/dbraw/zinc/32/24/92/1417322492.db2.gz MHUYBLNTDNSJKY-ZDUSSCGKSA-O 1 0 393.891 3.332 20 30 GGEDRO C=C(C)COCCNC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000136951701 1417357231 /nfs/dbraw/zinc/35/72/31/1417357231.db2.gz SJPMDGLQQGKUOM-UHFFFAOYSA-N 1 0 380.920 3.196 20 30 GGEDRO Cc1nc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000178812828 1429177925 /nfs/dbraw/zinc/17/79/25/1429177925.db2.gz QUKKAVTUPQDXBR-IBGZPJMESA-N 1 0 386.459 3.158 20 30 GGEDRO CCOc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000137006778 1417362354 /nfs/dbraw/zinc/36/23/54/1417362354.db2.gz QRIOPPKIDNMMAT-UHFFFAOYSA-N 1 0 378.476 3.108 20 30 GGEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000137540275 1417390190 /nfs/dbraw/zinc/39/01/90/1417390190.db2.gz KHZPQORYJMEXHJ-KRWDZBQOSA-N 1 0 376.456 3.109 20 30 GGEDRO C=CCc1cc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(OC)c1OC ZINC000138080872 1417404117 /nfs/dbraw/zinc/40/41/17/1417404117.db2.gz LTWTXNQWUPVUHM-MOPGFXCFSA-N 1 0 387.524 3.058 20 30 GGEDRO C=CCc1cc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(OC)c1OC ZINC000138080778 1417404461 /nfs/dbraw/zinc/40/44/61/1417404461.db2.gz LTWTXNQWUPVUHM-OALUTQOASA-N 1 0 387.524 3.058 20 30 GGEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C1Cc2ccccc2C1 ZINC000138434950 1417414983 /nfs/dbraw/zinc/41/49/83/1417414983.db2.gz KUNCZJRCBKMEAR-UHFFFAOYSA-N 1 0 394.519 3.051 20 30 GGEDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000178820592 1429181489 /nfs/dbraw/zinc/18/14/89/1429181489.db2.gz YVPHRLDQLMIMKV-UHFFFAOYSA-N 1 0 397.435 3.071 20 30 GGEDRO N#Cc1cccc(OCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000138675279 1417432819 /nfs/dbraw/zinc/43/28/19/1417432819.db2.gz GERQONIDTZMIRG-UHFFFAOYSA-N 1 0 381.501 3.167 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCO[C@@H](C)[C@@H]2C)c1C#N ZINC000139194717 1417451585 /nfs/dbraw/zinc/45/15/85/1417451585.db2.gz JXAALMKYOUOUJX-IRXDYDNUSA-N 1 0 384.480 3.056 20 30 GGEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000139574755 1417464029 /nfs/dbraw/zinc/46/40/29/1417464029.db2.gz SALHKBYPLQKJMJ-ROUUACIJSA-N 1 0 382.508 3.068 20 30 GGEDRO Cc1noc(Cl)c1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000139613917 1417466697 /nfs/dbraw/zinc/46/66/97/1417466697.db2.gz WGVJMGAXEFICRT-UHFFFAOYSA-N 1 0 386.883 3.175 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000139825640 1417475510 /nfs/dbraw/zinc/47/55/10/1417475510.db2.gz YQTDITZQAPDTPU-TUNNFDKTSA-N 1 0 382.552 3.355 20 30 GGEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C#N ZINC000140053990 1417486705 /nfs/dbraw/zinc/48/67/05/1417486705.db2.gz RSYDGFGYZDVPHT-NQIIRXRSSA-N 1 0 397.567 3.446 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140109432 1417488144 /nfs/dbraw/zinc/48/81/44/1417488144.db2.gz HGWFTVKHPVIZOG-QGZVFWFLSA-N 1 0 399.516 3.036 20 30 GGEDRO C[NH+](C)CCCCCCCNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000140283207 1417496779 /nfs/dbraw/zinc/49/67/79/1417496779.db2.gz KPQKPVVKDDISKZ-UHFFFAOYSA-N 1 0 385.556 3.292 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1Cl ZINC000141106147 1417526379 /nfs/dbraw/zinc/52/63/79/1417526379.db2.gz MKAOGMJQIJWQRQ-MRXNPFEDSA-N 1 0 389.805 3.175 20 30 GGEDRO N#Cc1ccc(OCC[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000141682357 1417549823 /nfs/dbraw/zinc/54/98/23/1417549823.db2.gz WVNGCGIILCESFA-UHFFFAOYSA-N 1 0 383.879 3.439 20 30 GGEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)N(CCC#N)CCC#N)CC3)c2c1 ZINC000142098396 1417572276 /nfs/dbraw/zinc/57/22/76/1417572276.db2.gz FMBSGUCKOHPHAA-UHFFFAOYSA-N 1 0 393.491 3.012 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)c1 ZINC000142193359 1417576588 /nfs/dbraw/zinc/57/65/88/1417576588.db2.gz QCVFGCBVJASDOD-HXUWFJFHSA-N 1 0 387.524 3.207 20 30 GGEDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1OCCCC#N ZINC000147149943 1417739164 /nfs/dbraw/zinc/73/91/64/1417739164.db2.gz HMBJHCZBCMSDAF-UHFFFAOYSA-N 1 0 397.475 3.365 20 30 GGEDRO COc1ccc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)cc1OCCCC#N ZINC000147141268 1417739380 /nfs/dbraw/zinc/73/93/80/1417739380.db2.gz UKQCIKBEXFVICI-UHFFFAOYSA-N 1 0 381.476 3.369 20 30 GGEDRO COc1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccccc2)cc1OCCCC#N ZINC000147211284 1417741121 /nfs/dbraw/zinc/74/11/21/1417741121.db2.gz HOMQIEXIWKVVEX-KRWDZBQOSA-N 1 0 381.476 3.172 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)cc1OCCCC#N ZINC000147201131 1417741198 /nfs/dbraw/zinc/74/11/98/1417741198.db2.gz LMEYFWJLRBTQKX-SFHVURJKSA-N 1 0 379.460 3.273 20 30 GGEDRO CC[NH+]1CCC(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000149927844 1417781812 /nfs/dbraw/zinc/78/18/12/1417781812.db2.gz OORDTPSYEZXUPY-UHFFFAOYSA-N 1 0 379.508 3.295 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000149921195 1417781852 /nfs/dbraw/zinc/78/18/52/1417781852.db2.gz CKETUUQQTCUILC-LJQANCHMSA-N 1 0 379.508 3.295 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[NH+]2CCCC2)cc1C ZINC000149900299 1417781906 /nfs/dbraw/zinc/78/19/06/1417781906.db2.gz XUSMHPFICIOETD-UHFFFAOYSA-N 1 0 379.508 3.296 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CC[NH+](C3CC3)CC2)cc1C ZINC000150011493 1417783488 /nfs/dbraw/zinc/78/34/88/1417783488.db2.gz UOSFXXLFHBKDTP-UHFFFAOYSA-N 1 0 391.519 3.437 20 30 GGEDRO C=CCOc1ccccc1CN(C(=O)[C@@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000150727925 1417792813 /nfs/dbraw/zinc/79/28/13/1417792813.db2.gz BNXLUNTXIKGNFW-QGZVFWFLSA-N 1 0 394.471 3.165 20 30 GGEDRO N#Cc1ccnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1[N+](=O)[O-] ZINC000150811204 1417811588 /nfs/dbraw/zinc/81/15/88/1417811588.db2.gz DJKKEEAGWWVOEO-OAHLLOKOSA-N 1 0 387.827 3.297 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CC[C@H](C[NH+]3CCCC3)C2)sc2c1CCCC2 ZINC000150858462 1417822125 /nfs/dbraw/zinc/82/21/25/1417822125.db2.gz KMSVVSDCPVCGDU-MRXNPFEDSA-N 1 0 386.565 3.245 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccccc1OCC#N ZINC000150929661 1417837803 /nfs/dbraw/zinc/83/78/03/1417837803.db2.gz JQMQEGPFQVMHMI-QZTJIDSGSA-N 1 0 377.488 3.475 20 30 GGEDRO CC1CC[NH+](CCCCNC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000151038884 1417860089 /nfs/dbraw/zinc/86/00/89/1417860089.db2.gz XOGGLPNNBAOYBD-UHFFFAOYSA-N 1 0 384.524 3.295 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000151043975 1417861274 /nfs/dbraw/zinc/86/12/74/1417861274.db2.gz HDACRTBUJSRUGJ-QZTJIDSGSA-N 1 0 384.524 3.151 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000151043873 1417861369 /nfs/dbraw/zinc/86/13/69/1417861369.db2.gz HDACRTBUJSRUGJ-HDICACEKSA-N 1 0 384.524 3.151 20 30 GGEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151069030 1417866659 /nfs/dbraw/zinc/86/66/59/1417866659.db2.gz NETPTCFUYCRWTR-UHFFFAOYSA-N 1 0 382.386 3.281 20 30 GGEDRO C[C@H]1C[N@@H+](C2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)CCO1 ZINC000178920990 1429220599 /nfs/dbraw/zinc/22/05/99/1429220599.db2.gz MSTLKODLEUFNQR-INIZCTEOSA-N 1 0 382.426 3.122 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCCC1 ZINC000151225886 1417897634 /nfs/dbraw/zinc/89/76/34/1417897634.db2.gz QEEWCWLRQNQTCO-SFHVURJKSA-N 1 0 385.414 3.412 20 30 GGEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151274069 1417910840 /nfs/dbraw/zinc/91/08/40/1417910840.db2.gz KNZHKEIJNFFVSL-FGTMMUONSA-N 1 0 384.524 3.150 20 30 GGEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151274179 1417911081 /nfs/dbraw/zinc/91/10/81/1417911081.db2.gz KNZHKEIJNFFVSL-KZNAEPCWSA-N 1 0 384.524 3.150 20 30 GGEDRO N#CCC[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1 ZINC000151295675 1417918359 /nfs/dbraw/zinc/91/83/59/1417918359.db2.gz AQSMBLNKSKCDMT-ACRUOGEOSA-N 1 0 384.524 3.099 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)[NH+](C)C)cc1 ZINC000151326966 1417927384 /nfs/dbraw/zinc/92/73/84/1417927384.db2.gz MVXNQJSXHVMUSR-NRFANRHFSA-N 1 0 392.503 3.395 20 30 GGEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000151334235 1417928835 /nfs/dbraw/zinc/92/88/35/1417928835.db2.gz SECPVPWBUPBJCG-UHFFFAOYSA-N 1 0 396.535 3.392 20 30 GGEDRO N#CCC[C@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000151356017 1417934765 /nfs/dbraw/zinc/93/47/65/1417934765.db2.gz AVDJOWPYRHYVMX-NRFANRHFSA-N 1 0 384.524 3.318 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1c(F)cc(C#N)cc1F ZINC000151415316 1417957455 /nfs/dbraw/zinc/95/74/55/1417957455.db2.gz KITYOGACNLFOHS-UHFFFAOYSA-N 1 0 379.357 3.319 20 30 GGEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cn1ccc(=S)c2ccccc21 ZINC000151469462 1417986993 /nfs/dbraw/zinc/98/69/93/1417986993.db2.gz CPHGGDFPTMMINF-HNNXBMFYSA-N 1 0 376.489 3.201 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)CNc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000151570248 1418027959 /nfs/dbraw/zinc/02/79/59/1418027959.db2.gz QQFGQTDIXUOFAG-OAQYLSRUSA-N 1 0 380.492 3.178 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)cc1C#N ZINC000151740351 1418075489 /nfs/dbraw/zinc/07/54/89/1418075489.db2.gz VYGNVDIOWMYCBG-MJGOQNOKSA-N 1 0 385.464 3.002 20 30 GGEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000152023232 1418123202 /nfs/dbraw/zinc/12/32/02/1418123202.db2.gz YRBGHGTWPPUUGY-GOSISDBHSA-N 1 0 382.508 3.001 20 30 GGEDRO CC(C)OC1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000152064243 1418134961 /nfs/dbraw/zinc/13/49/61/1418134961.db2.gz WNLHXJIUCWFXPZ-UHFFFAOYSA-N 1 0 386.540 3.368 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000152091834 1418142947 /nfs/dbraw/zinc/14/29/47/1418142947.db2.gz HVULMQPFZLNFDR-UHFFFAOYSA-N 1 0 394.500 3.408 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1(O)CCCC1 ZINC000152287851 1418195610 /nfs/dbraw/zinc/19/56/10/1418195610.db2.gz SUWUWRDRRFIYEH-UHFFFAOYSA-N 1 0 375.538 3.454 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC ZINC000179056941 1429251583 /nfs/dbraw/zinc/25/15/83/1429251583.db2.gz YBDLBLBXKDAJMA-FQEVSTJZSA-N 1 0 380.488 3.398 20 30 GGEDRO C=CCc1cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc(OC)c1O ZINC000179059267 1429252312 /nfs/dbraw/zinc/25/23/12/1429252312.db2.gz ZVJGCBQVLRSZID-LJQANCHMSA-N 1 0 380.488 3.268 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000179062059 1429252410 /nfs/dbraw/zinc/25/24/10/1429252410.db2.gz HRLYCGDCGDREPT-NRFANRHFSA-N 1 0 376.504 3.175 20 30 GGEDRO C[C@@H]([NH2+]CCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000824590274 1429283167 /nfs/dbraw/zinc/28/31/67/1429283167.db2.gz AXVDVQMZSFTASZ-HZPDHXFCSA-N 1 0 375.480 3.130 20 30 GGEDRO COc1ccc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1Cl ZINC000179195502 1429291183 /nfs/dbraw/zinc/29/11/83/1429291183.db2.gz LTDBTUPCJHQRDE-UHFFFAOYSA-N 1 0 389.883 3.147 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccn2)c2ccccc2OC)CC1 ZINC000179307614 1429323470 /nfs/dbraw/zinc/32/34/70/1429323470.db2.gz MAZKYIXAFJETPZ-OAQYLSRUSA-N 1 0 380.492 3.129 20 30 GGEDRO C#CCOCCC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000179373572 1429348992 /nfs/dbraw/zinc/34/89/92/1429348992.db2.gz JPNGCNRUZLILQZ-UHFFFAOYSA-N 1 0 382.426 3.168 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000179590244 1429456483 /nfs/dbraw/zinc/45/64/83/1429456483.db2.gz ZMRWUYIINFIXFG-UHFFFAOYSA-N 1 0 379.464 3.267 20 30 GGEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000179625727 1429476805 /nfs/dbraw/zinc/47/68/05/1429476805.db2.gz HNRKGHRYZHWVDC-OXQOHEQNSA-N 1 0 389.883 3.184 20 30 GGEDRO CCC[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000179638403 1429483950 /nfs/dbraw/zinc/48/39/50/1429483950.db2.gz YBOYQCZVBNDPOJ-IBGZPJMESA-N 1 0 380.496 3.315 20 30 GGEDRO CCc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cc1 ZINC000179665281 1429497648 /nfs/dbraw/zinc/49/76/48/1429497648.db2.gz YUMONCZUMILGAU-PXNSSMCTSA-N 1 0 396.560 3.370 20 30 GGEDRO CCc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cc1 ZINC000179665290 1429497979 /nfs/dbraw/zinc/49/79/79/1429497979.db2.gz YUMONCZUMILGAU-YLJYHZDGSA-N 1 0 396.560 3.370 20 30 GGEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000179671235 1429500099 /nfs/dbraw/zinc/50/00/99/1429500099.db2.gz IGMVGKWGLUHBNN-QUCCMNQESA-N 1 0 396.560 3.425 20 30 GGEDRO Cc1cccc(C(C)(C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000179672739 1429500598 /nfs/dbraw/zinc/50/05/98/1429500598.db2.gz KVLNRISWZXAVNK-IBGZPJMESA-N 1 0 396.560 3.290 20 30 GGEDRO Cc1cccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1C ZINC000179672613 1429500925 /nfs/dbraw/zinc/50/09/25/1429500925.db2.gz IRZIDXMLOZMJQS-AZUAARDMSA-N 1 0 396.560 3.425 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179688169 1429507845 /nfs/dbraw/zinc/50/78/45/1429507845.db2.gz CWTGMJJTLOBNBQ-VGSWGCGISA-N 1 0 380.492 3.366 20 30 GGEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000179716637 1429519914 /nfs/dbraw/zinc/51/99/14/1429519914.db2.gz SQCSQAHTFADWSF-GOSISDBHSA-N 1 0 392.503 3.304 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000152327167 1422073637 /nfs/dbraw/zinc/07/36/37/1422073637.db2.gz NITXADFNXHKIFE-MBSDFSHPSA-N 1 0 390.531 3.452 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+](CCO)Cc1cccnc1)CCCCC2 ZINC000152333817 1422075142 /nfs/dbraw/zinc/07/51/42/1422075142.db2.gz QKGTVQPSKNRCAV-UHFFFAOYSA-N 1 0 398.532 3.107 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179731430 1429527149 /nfs/dbraw/zinc/52/71/49/1429527149.db2.gz SUSPCJMKRVNMGI-QFIPXVFZSA-N 1 0 377.444 3.399 20 30 GGEDRO COc1ccc(COCCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000179736996 1429529693 /nfs/dbraw/zinc/52/96/93/1429529693.db2.gz JHCQLPUTOSBHOA-UHFFFAOYSA-N 1 0 397.397 3.215 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCO[C@H](CCC)C2)c1=S ZINC000152521154 1422129848 /nfs/dbraw/zinc/12/98/48/1422129848.db2.gz OHLVITCXIVAGRR-GOSISDBHSA-N 1 0 393.601 3.087 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)[NH+]2CCCC2)o1 ZINC000152523819 1422130584 /nfs/dbraw/zinc/13/05/84/1422130584.db2.gz FFMPUSLSPTVKJF-FQEVSTJZSA-N 1 0 394.475 3.069 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)[NH+]2CCCC2)o1 ZINC000152523751 1422130813 /nfs/dbraw/zinc/13/08/13/1422130813.db2.gz FFMPUSLSPTVKJF-HXUWFJFHSA-N 1 0 394.475 3.069 20 30 GGEDRO N#CCCN(C(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1 ZINC000179744863 1429534163 /nfs/dbraw/zinc/53/41/63/1429534163.db2.gz FDWKZIFMUYCVNJ-QHCPKHFHSA-N 1 0 391.471 3.445 20 30 GGEDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000179753177 1429539606 /nfs/dbraw/zinc/53/96/06/1429539606.db2.gz XSSUIWVNJUPYDX-UHFFFAOYSA-N 1 0 377.488 3.144 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179753632 1429539828 /nfs/dbraw/zinc/53/98/28/1429539828.db2.gz LCYOASMHLGCDBA-JOCHJYFZSA-N 1 0 380.444 3.458 20 30 GGEDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000179753107 1429539501 /nfs/dbraw/zinc/53/95/01/1429539501.db2.gz XVXNFPBUTFZLAV-SZNDQCEHSA-N 1 0 377.444 3.397 20 30 GGEDRO C#CCOc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000179754771 1429540303 /nfs/dbraw/zinc/54/03/03/1429540303.db2.gz VMMVYUDCALZILH-UHFFFAOYSA-N 1 0 392.455 3.278 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000152757820 1422238227 /nfs/dbraw/zinc/23/82/27/1422238227.db2.gz WUKYFEYIPIHGGT-QGZVFWFLSA-N 1 0 375.538 3.223 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000152793735 1422250545 /nfs/dbraw/zinc/25/05/45/1422250545.db2.gz IBFLODODHWFGRZ-SFHVURJKSA-N 1 0 389.565 3.365 20 30 GGEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)CN1CCOCC1 ZINC000152802319 1422253776 /nfs/dbraw/zinc/25/37/76/1422253776.db2.gz NZWIORMZCIUHDO-KRWDZBQOSA-N 1 0 394.475 3.440 20 30 GGEDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000179757209 1429542847 /nfs/dbraw/zinc/54/28/47/1429542847.db2.gz CLEZPUZTEVKVLA-YWZLYKJASA-N 1 0 383.492 3.230 20 30 GGEDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000179757180 1429542888 /nfs/dbraw/zinc/54/28/88/1429542888.db2.gz CLEZPUZTEVKVLA-MGPUTAFESA-N 1 0 383.492 3.230 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1C#N ZINC000152909916 1422292540 /nfs/dbraw/zinc/29/25/40/1422292540.db2.gz AORZUGPEZNEQCS-KUHUBIRLSA-N 1 0 398.482 3.279 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000152909775 1422292737 /nfs/dbraw/zinc/29/27/37/1422292737.db2.gz AORZUGPEZNEQCS-AUUYWEPGSA-N 1 0 398.482 3.279 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Nc3cccc(OC)c3)CC2)CC1 ZINC000152938400 1422301459 /nfs/dbraw/zinc/30/14/59/1422301459.db2.gz RMDSSEKJVABHOS-UHFFFAOYSA-N 1 0 386.540 3.322 20 30 GGEDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1C#N ZINC000179762888 1429546296 /nfs/dbraw/zinc/54/62/96/1429546296.db2.gz OKCWNCNICGNFAG-SPLOXXLWSA-N 1 0 377.444 3.397 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000152948225 1422304863 /nfs/dbraw/zinc/30/48/63/1422304863.db2.gz YICLOPVOCAZOPF-INIZCTEOSA-N 1 0 375.513 3.051 20 30 GGEDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000152959711 1422307966 /nfs/dbraw/zinc/30/79/66/1422307966.db2.gz ZLOWVSSGOLMTMW-ZWKOTPCHSA-N 1 0 383.410 3.189 20 30 GGEDRO N#Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000153079934 1422349273 /nfs/dbraw/zinc/34/92/73/1422349273.db2.gz QZLDEQGNDWIMCL-LJQANCHMSA-N 1 0 383.879 3.098 20 30 GGEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000153162792 1422377291 /nfs/dbraw/zinc/37/72/91/1422377291.db2.gz SXMYGYHDTNNDBN-QFIPXVFZSA-N 1 0 376.504 3.209 20 30 GGEDRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c(C)c1 ZINC000153224525 1422400263 /nfs/dbraw/zinc/40/02/63/1422400263.db2.gz JUZXVZNQSOULNZ-UHFFFAOYSA-N 1 0 382.512 3.072 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000153224633 1422400830 /nfs/dbraw/zinc/40/08/30/1422400830.db2.gz GWQQBECLSFHYDO-UHFFFAOYSA-N 1 0 385.475 3.243 20 30 GGEDRO N#CCC[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000153243197 1422414689 /nfs/dbraw/zinc/41/46/89/1422414689.db2.gz GRVVBLLLHQKCFZ-QFIPXVFZSA-N 1 0 376.504 3.360 20 30 GGEDRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153274184 1422432229 /nfs/dbraw/zinc/43/22/29/1422432229.db2.gz WBXMVAAJHJFUTI-HNNXBMFYSA-N 1 0 382.512 3.187 20 30 GGEDRO COc1cccc(-c2nc(C[N@H+](C)CCCc3[nH]nc(N)c3C#N)cs2)c1 ZINC000153287111 1422442807 /nfs/dbraw/zinc/44/28/07/1422442807.db2.gz MYNZRNFVGLTWOA-UHFFFAOYSA-N 1 0 382.493 3.060 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OCC#N ZINC000153376755 1422505132 /nfs/dbraw/zinc/50/51/32/1422505132.db2.gz WLBLKFXDYHCVMZ-JAZSWGADSA-N 1 0 395.503 3.086 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCCc2cc(Cl)ccc2Br)CC1 ZINC000153490973 1422567202 /nfs/dbraw/zinc/56/72/02/1422567202.db2.gz PBWPEJAUPDTYTN-UHFFFAOYSA-N 1 0 383.717 3.106 20 30 GGEDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000153777280 1422751225 /nfs/dbraw/zinc/75/12/25/1422751225.db2.gz XKNRYGXHIXHVSS-INIZCTEOSA-N 1 0 379.508 3.126 20 30 GGEDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000153777368 1422751877 /nfs/dbraw/zinc/75/18/77/1422751877.db2.gz XKNRYGXHIXHVSS-MRXNPFEDSA-N 1 0 379.508 3.126 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000153918788 1422810679 /nfs/dbraw/zinc/81/06/79/1422810679.db2.gz KEUIKZQEVTVZSJ-AWEZNQCLSA-N 1 0 385.455 3.213 20 30 GGEDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000153962820 1422817776 /nfs/dbraw/zinc/81/77/76/1422817776.db2.gz OQROCLYNBPUDLD-IBGZPJMESA-N 1 0 381.480 3.174 20 30 GGEDRO CC(C)Oc1ccc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1C#N ZINC000154013200 1422825453 /nfs/dbraw/zinc/82/54/53/1422825453.db2.gz OVZRLJKGPDIFPM-UHFFFAOYSA-N 1 0 392.503 3.345 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000154040229 1422830466 /nfs/dbraw/zinc/83/04/66/1422830466.db2.gz BUNOKXKJCIAVNA-JOCHJYFZSA-N 1 0 390.531 3.360 20 30 GGEDRO C=CCc1ccc(OCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000154112747 1422842330 /nfs/dbraw/zinc/84/23/30/1422842330.db2.gz XRKVGPGGXXJYTB-UYAOXDASSA-N 1 0 384.520 3.278 20 30 GGEDRO C=CCn1c2nnc(SCC[NH+]3CCC(C)CC3)n2c2ccccc2c1=O ZINC000154186007 1422852144 /nfs/dbraw/zinc/85/21/44/1422852144.db2.gz WULKKRACYFGPOH-UHFFFAOYSA-N 1 0 383.521 3.054 20 30 GGEDRO COc1ccc(CNC(=O)C2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)cc1 ZINC000154217867 1422856723 /nfs/dbraw/zinc/85/67/23/1422856723.db2.gz FKXSFIVOVHBDFS-UHFFFAOYSA-N 1 0 393.487 3.104 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000154231186 1422859145 /nfs/dbraw/zinc/85/91/45/1422859145.db2.gz WMSOTMIPGWIXLZ-UHFFFAOYSA-N 1 0 378.451 3.312 20 30 GGEDRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)[NH+](C)C)cc1 ZINC000154378047 1422880913 /nfs/dbraw/zinc/88/09/13/1422880913.db2.gz KMQWLVFGSNCMBP-IBGZPJMESA-N 1 0 398.894 3.132 20 30 GGEDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+]1CCCC1 ZINC000154464723 1422892144 /nfs/dbraw/zinc/89/21/44/1422892144.db2.gz AKAXLQOYQQGJTP-SFHVURJKSA-N 1 0 390.915 3.167 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(N(C)C)cc1 ZINC000154482778 1422894813 /nfs/dbraw/zinc/89/48/13/1422894813.db2.gz YMTRIVXACRRLSM-HNNXBMFYSA-O 1 0 398.552 3.302 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(CO)c1 ZINC000154506929 1422898195 /nfs/dbraw/zinc/89/81/95/1422898195.db2.gz NGOASMZEHNXKKP-GFCCVEGCSA-O 1 0 379.452 3.072 20 30 GGEDRO Fc1cc(F)c2c(c1)CN(C(NCCc1ccco1)=[NH+]C[C@@H]1CCOC1)CC2 ZINC000154583554 1422943885 /nfs/dbraw/zinc/94/38/85/1422943885.db2.gz WSDYRPJWXLPMMO-HNNXBMFYSA-N 1 0 389.446 3.141 20 30 GGEDRO c1coc(CCNC(N[C@@H]2CCO[C@]3(CCSC3)C2)=[NH+]C2CCCC2)c1 ZINC000154617462 1422964693 /nfs/dbraw/zinc/96/46/93/1422964693.db2.gz REHITIPBESPARD-YLJYHZDGSA-N 1 0 377.554 3.355 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154708837 1423008055 /nfs/dbraw/zinc/00/80/55/1423008055.db2.gz JCZXHBPOJPYAQF-UHFFFAOYSA-N 1 0 385.508 3.203 20 30 GGEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(-c2ccccc2)n1 ZINC000154820789 1423045055 /nfs/dbraw/zinc/04/50/55/1423045055.db2.gz JNVYUOCYISLTNI-HXUWFJFHSA-N 1 0 391.519 3.202 20 30 GGEDRO C#CCCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000154857681 1423056790 /nfs/dbraw/zinc/05/67/90/1423056790.db2.gz HRWXUTSJPKYLNC-UHFFFAOYSA-N 1 0 380.330 3.326 20 30 GGEDRO CN(C)CC(=O)Nc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000179852335 1429610515 /nfs/dbraw/zinc/61/05/15/1429610515.db2.gz LHWZZNCHEZMVTQ-UHFFFAOYSA-N 1 0 391.519 3.135 20 30 GGEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)cc(OC)c1O ZINC000179855822 1429611215 /nfs/dbraw/zinc/61/12/15/1429611215.db2.gz OHLNVXJUSXQORO-UHFFFAOYSA-N 1 0 385.464 3.276 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)cc1 ZINC000154916321 1423079579 /nfs/dbraw/zinc/07/95/79/1423079579.db2.gz JXFIAGRUBDOADL-XPWALMASSA-N 1 0 386.499 3.114 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000154954149 1423090420 /nfs/dbraw/zinc/09/04/20/1423090420.db2.gz KIHLTFDDSSRTMM-KBPBESRZSA-N 1 0 390.915 3.023 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000154954247 1423090531 /nfs/dbraw/zinc/09/05/31/1423090531.db2.gz KIHLTFDDSSRTMM-ZIAGYGMSSA-N 1 0 390.915 3.023 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)c1C#N ZINC000179862891 1429614488 /nfs/dbraw/zinc/61/44/88/1429614488.db2.gz HLJBVAVVLQUBTD-HNNXBMFYSA-N 1 0 398.482 3.448 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)C2CCOCC2)c1C#N ZINC000179863195 1429615460 /nfs/dbraw/zinc/61/54/60/1429615460.db2.gz AYFJABXBTAOVKQ-MRXNPFEDSA-N 1 0 380.492 3.309 20 30 GGEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000155507644 1423392131 /nfs/dbraw/zinc/39/21/31/1423392131.db2.gz BBNNUVCLZUKXBH-SJORKVTESA-N 1 0 378.476 3.062 20 30 GGEDRO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cccc(C[NH+](C)C)c2)C1=O ZINC000155517611 1423396461 /nfs/dbraw/zinc/39/64/61/1423396461.db2.gz ZYLKVFFHWKELCK-OAQYLSRUSA-N 1 0 388.512 3.064 20 30 GGEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000155533689 1423404652 /nfs/dbraw/zinc/40/46/52/1423404652.db2.gz HWIIVKRZRKKHSA-UHFFFAOYSA-N 1 0 381.451 3.314 20 30 GGEDRO CCCNC(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000179918243 1429640487 /nfs/dbraw/zinc/64/04/87/1429640487.db2.gz CUPRBLFPRVSZHE-UHFFFAOYSA-N 1 0 379.508 3.202 20 30 GGEDRO CCCCNC(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179934035 1429649353 /nfs/dbraw/zinc/64/93/53/1429649353.db2.gz QRZWHQHRFHZQQU-UHFFFAOYSA-N 1 0 379.508 3.087 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000155674735 1423480268 /nfs/dbraw/zinc/48/02/68/1423480268.db2.gz CXPQCTYIOGBPTQ-KRWDZBQOSA-N 1 0 396.878 3.161 20 30 GGEDRO Cc1cc(C(O)=CONC(=[NH2+])Cc2cccnc2)c(C)n1Cc1cccs1 ZINC000179928117 1429646399 /nfs/dbraw/zinc/64/63/99/1429646399.db2.gz YUQXAWGDDWVYFS-UHFFFAOYSA-N 1 0 382.489 3.324 20 30 GGEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1 ZINC000155717030 1423501812 /nfs/dbraw/zinc/50/18/12/1423501812.db2.gz LDKWATXYAYCLGF-CQSZACIVSA-N 1 0 398.894 3.396 20 30 GGEDRO COc1ccc(C[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@H](CO)C(C)C)cc1 ZINC000179930841 1429647734 /nfs/dbraw/zinc/64/77/34/1429647734.db2.gz XOJBCOBIQHRXPK-OAQYLSRUSA-N 1 0 381.476 3.024 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CC2CCOCC2)c1C#N ZINC000155907449 1423588999 /nfs/dbraw/zinc/58/89/99/1423588999.db2.gz SPEUHROCCFPTAV-UHFFFAOYSA-N 1 0 394.519 3.322 20 30 GGEDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179948053 1429657488 /nfs/dbraw/zinc/65/74/88/1429657488.db2.gz JNVWEHMXKSFIEX-UHFFFAOYSA-N 1 0 393.535 3.429 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000156022498 1423637356 /nfs/dbraw/zinc/63/73/56/1423637356.db2.gz QWQHUWPIDXRKQW-UWJYYQICSA-N 1 0 397.519 3.055 20 30 GGEDRO CC[NH+]1CCN(CCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000156095062 1423670370 /nfs/dbraw/zinc/67/03/70/1423670370.db2.gz WJOKOWXBXCWWOR-UHFFFAOYSA-N 1 0 391.519 3.059 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCc2ccccc21)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000156116451 1423679404 /nfs/dbraw/zinc/67/94/04/1423679404.db2.gz LODDPQWLNZBBHL-PZJWPPBQSA-N 1 0 385.552 3.342 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC3CCOCC3)sc2C1 ZINC000156163511 1423701545 /nfs/dbraw/zinc/70/15/45/1423701545.db2.gz KOVARMSTJQZTQU-AWEZNQCLSA-N 1 0 375.538 3.432 20 30 GGEDRO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000179967728 1429666965 /nfs/dbraw/zinc/66/69/65/1429666965.db2.gz HBMLGXAAZRIHPM-UHFFFAOYSA-N 1 0 385.471 3.475 20 30 GGEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000179964964 1429666156 /nfs/dbraw/zinc/66/61/56/1429666156.db2.gz ZOFPITNQDTXZCA-QRWLVFNGSA-N 1 0 379.460 3.422 20 30 GGEDRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000156244078 1423740633 /nfs/dbraw/zinc/74/06/33/1423740633.db2.gz JELLCZXCFJBNPU-UHFFFAOYSA-N 1 0 375.469 3.018 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]CC3(c4ccccc4)CCOCC3)C2=O)cc1 ZINC000179971628 1429668402 /nfs/dbraw/zinc/66/84/02/1429668402.db2.gz HMKDUPOGKHWBAV-QFIPXVFZSA-N 1 0 389.499 3.392 20 30 GGEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000179973912 1429670078 /nfs/dbraw/zinc/67/00/78/1429670078.db2.gz WDBSMSBGEXTISN-KXBFYZLASA-N 1 0 379.460 3.422 20 30 GGEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000179973883 1429670702 /nfs/dbraw/zinc/67/07/02/1429670702.db2.gz WDBSMSBGEXTISN-HNAYVOBHSA-N 1 0 379.460 3.422 20 30 GGEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000179990409 1429678791 /nfs/dbraw/zinc/67/87/91/1429678791.db2.gz HQVWKRGMTXOHGR-HMFYCAOWSA-N 1 0 393.535 3.032 20 30 GGEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000179982992 1429674937 /nfs/dbraw/zinc/67/49/37/1429674937.db2.gz MFTPWGUVIHVFIX-UHFFFAOYSA-N 1 0 398.532 3.022 20 30 GGEDRO N#Cc1ccccc1CN(C1CC1)S(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000156726626 1423854918 /nfs/dbraw/zinc/85/49/18/1423854918.db2.gz ZRHISCSYHRJJLO-JOCHJYFZSA-N 1 0 395.528 3.127 20 30 GGEDRO C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156929261 1423887683 /nfs/dbraw/zinc/88/76/83/1423887683.db2.gz PFOQXDQHYKZZOG-PTUXOGIPSA-N 1 0 393.531 3.283 20 30 GGEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000156950787 1423891994 /nfs/dbraw/zinc/89/19/94/1423891994.db2.gz IVNGUEQKSIMUCC-UHFFFAOYSA-N 1 0 398.532 3.319 20 30 GGEDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000157062264 1423914059 /nfs/dbraw/zinc/91/40/59/1423914059.db2.gz QOPKYDHEPJJRFB-PGRDOPGGSA-N 1 0 376.504 3.482 20 30 GGEDRO Cc1oc(NC(=O)CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000157112810 1423928219 /nfs/dbraw/zinc/92/82/19/1423928219.db2.gz OOBZZXFLVTXTSX-IBGZPJMESA-N 1 0 380.492 3.303 20 30 GGEDRO N#CCC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000157195849 1423952870 /nfs/dbraw/zinc/95/28/70/1423952870.db2.gz WBHCTTLFRUUDQP-FQEVSTJZSA-N 1 0 384.524 3.366 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H]([NH+]3CCCC3)CC1)CCC2 ZINC000157342478 1423989340 /nfs/dbraw/zinc/98/93/40/1423989340.db2.gz JIZDRVWNHGXNPM-MRXNPFEDSA-N 1 0 386.565 3.387 20 30 GGEDRO Cn1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180011266 1429690594 /nfs/dbraw/zinc/69/05/94/1429690594.db2.gz BOXXPRISRQFCFX-NRFANRHFSA-N 1 0 380.492 3.119 20 30 GGEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157462556 1424015916 /nfs/dbraw/zinc/01/59/16/1424015916.db2.gz UWAIBABMIFNNQP-FQEVSTJZSA-N 1 0 398.551 3.282 20 30 GGEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)ccc2NC1=O ZINC000180015504 1429692695 /nfs/dbraw/zinc/69/26/95/1429692695.db2.gz MJKCAMMABJQKJK-SJKOYZFVSA-N 1 0 396.447 3.167 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157549687 1424035093 /nfs/dbraw/zinc/03/50/93/1424035093.db2.gz LCLTYBJZNKGOMH-AZUAARDMSA-N 1 0 382.435 3.032 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000157560953 1424038011 /nfs/dbraw/zinc/03/80/11/1424038011.db2.gz VQFITTGERBCISJ-HOTGVXAUSA-N 1 0 395.956 3.487 20 30 GGEDRO COc1ccc(N2CC[NH+](CCCNc3ccc([N+](=O)[O-])c(C#N)c3)CC2)cc1 ZINC000157582335 1424042823 /nfs/dbraw/zinc/04/28/23/1424042823.db2.gz CRIBQBRTHCXWKF-UHFFFAOYSA-N 1 0 395.463 3.099 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCC(=O)Nc3ccc(C#N)cc3)ccc2NC1=O ZINC000180017352 1429694872 /nfs/dbraw/zinc/69/48/72/1429694872.db2.gz CGVIDCCFYLAHFH-LIRRHRJNSA-N 1 0 392.459 3.347 20 30 GGEDRO COc1cc(C[N@H+](C)CCNC(=O)C(C)C)ccc1OCc1cccc(C#N)c1 ZINC000157691221 1424065359 /nfs/dbraw/zinc/06/53/59/1424065359.db2.gz UOUKPDSXWXWGJR-UHFFFAOYSA-N 1 0 395.503 3.350 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C#N ZINC000157706833 1424069344 /nfs/dbraw/zinc/06/93/44/1424069344.db2.gz ULMJWYTTYKIGQK-GOSISDBHSA-N 1 0 396.535 3.308 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C#N ZINC000157706682 1424069606 /nfs/dbraw/zinc/06/96/06/1424069606.db2.gz ULMJWYTTYKIGQK-SFHVURJKSA-N 1 0 396.535 3.308 20 30 GGEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3sccc3C#N)ccc2NC1=O ZINC000180021480 1429697104 /nfs/dbraw/zinc/69/71/04/1429697104.db2.gz MSLCAGVGURJVII-XHDPSFHLSA-N 1 0 384.461 3.019 20 30 GGEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180020598 1429697451 /nfs/dbraw/zinc/69/74/51/1429697451.db2.gz OSGIQZXEESXBGW-YLJYHZDGSA-N 1 0 393.535 3.476 20 30 GGEDRO CC[N@H+](CCOc1ccc(C#N)cc1OC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000157873222 1424109046 /nfs/dbraw/zinc/10/90/46/1424109046.db2.gz MXMAIRNWDNCBCB-UHFFFAOYSA-N 1 0 381.476 3.170 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000180022763 1429699181 /nfs/dbraw/zinc/69/91/81/1429699181.db2.gz DDCZVKUKYFEUJX-INIZCTEOSA-N 1 0 379.464 3.159 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000158053698 1424150617 /nfs/dbraw/zinc/15/06/17/1424150617.db2.gz GPBOZDHQKZRQMB-GOSISDBHSA-N 1 0 392.341 3.169 20 30 GGEDRO C=CCn1c(SCC(=O)NC2CC[NH+](CC)CC2)nnc1-c1ccccc1C ZINC000158126607 1424173765 /nfs/dbraw/zinc/17/37/65/1424173765.db2.gz LKXFIIMYFPKEAO-UHFFFAOYSA-N 1 0 399.564 3.132 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(F)c(F)cc1F ZINC000158164145 1424183871 /nfs/dbraw/zinc/18/38/71/1424183871.db2.gz UMIDUTXEXATWPZ-UHFFFAOYSA-N 1 0 375.394 3.108 20 30 GGEDRO CC[N@@H+]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000158196866 1424192237 /nfs/dbraw/zinc/19/22/37/1424192237.db2.gz QETRHOBZJYNXAI-UHFFFAOYSA-N 1 0 385.556 3.448 20 30 GGEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000180035118 1429706344 /nfs/dbraw/zinc/70/63/44/1429706344.db2.gz JABCEBLHNIMWQJ-ZDUSSCGKSA-N 1 0 389.521 3.012 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000158302564 1424220911 /nfs/dbraw/zinc/22/09/11/1424220911.db2.gz RKUSZRBUNWOJBU-ROUUACIJSA-N 1 0 386.565 3.437 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000158311643 1424223187 /nfs/dbraw/zinc/22/31/87/1424223187.db2.gz HXELWDNUDTUBPP-LJQANCHMSA-N 1 0 388.943 3.455 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000180042033 1429709964 /nfs/dbraw/zinc/70/99/64/1429709964.db2.gz QDSSWCLUSKSUBU-INIZCTEOSA-N 1 0 379.464 3.159 20 30 GGEDRO C=CCC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000180044368 1429710785 /nfs/dbraw/zinc/71/07/85/1429710785.db2.gz OTZMDILODUKILZ-LJQANCHMSA-N 1 0 387.430 3.317 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)Nc2ccccc2O[C@H](C)C#N)[NH+](C)C)c1 ZINC000180045660 1429711437 /nfs/dbraw/zinc/71/14/37/1429711437.db2.gz JQUUMUFFXKPRNY-DNVCBOLYSA-N 1 0 382.464 3.410 20 30 GGEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000159047144 1424404570 /nfs/dbraw/zinc/40/45/70/1424404570.db2.gz JZUFUEDLHBZQHU-QFIPXVFZSA-N 1 0 392.503 3.485 20 30 GGEDRO N#CC1(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000159119232 1424421960 /nfs/dbraw/zinc/42/19/60/1424421960.db2.gz VGKJYJZHFCLVMG-VXKWHMMOSA-N 1 0 394.563 3.316 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000159172870 1424434578 /nfs/dbraw/zinc/43/45/78/1424434578.db2.gz BGWIULNNSPAPBE-UHFFFAOYSA-N 1 0 379.464 3.267 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2OCCn2ccnc2)CC1 ZINC000159248309 1424459143 /nfs/dbraw/zinc/45/91/43/1424459143.db2.gz SVNOZBGSCDKHTP-UHFFFAOYSA-N 1 0 383.496 3.124 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccc(F)cc3OCC#N)CC2)c1 ZINC000159486728 1424506824 /nfs/dbraw/zinc/50/68/24/1424506824.db2.gz OPNGNFAPZSNAHS-UHFFFAOYSA-N 1 0 396.466 3.187 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1C#N ZINC000159492884 1424507309 /nfs/dbraw/zinc/50/73/09/1424507309.db2.gz IDOMIYBFKJVHTF-UZLBHIALSA-N 1 0 398.482 3.136 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1C#N ZINC000159497595 1424508291 /nfs/dbraw/zinc/50/82/91/1424508291.db2.gz ZZIZZNOKFKVEIB-CTNGQTDRSA-N 1 0 394.519 3.056 20 30 GGEDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000159873010 1424546281 /nfs/dbraw/zinc/54/62/81/1424546281.db2.gz XVPAEIHIXPYIFV-HOTGVXAUSA-N 1 0 389.459 3.024 20 30 GGEDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000159876750 1424548247 /nfs/dbraw/zinc/54/82/47/1424548247.db2.gz JONUXRFTQIPFAA-HOTGVXAUSA-N 1 0 389.459 3.024 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000159944357 1424554723 /nfs/dbraw/zinc/55/47/23/1424554723.db2.gz OZQDQUCRLXSXLD-UWJYYQICSA-N 1 0 392.503 3.387 20 30 GGEDRO C=CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000159958344 1424557055 /nfs/dbraw/zinc/55/70/55/1424557055.db2.gz IYMMPGSJAIIETE-OAQYLSRUSA-N 1 0 378.520 3.417 20 30 GGEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160039640 1424565884 /nfs/dbraw/zinc/56/58/84/1424565884.db2.gz BEWPEAMDPYCULB-LJQANCHMSA-N 1 0 397.567 3.351 20 30 GGEDRO COc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(O)cc1C ZINC000160060117 1424568030 /nfs/dbraw/zinc/56/80/30/1424568030.db2.gz JBLSJQOFTTXOOS-UHFFFAOYSA-N 1 0 388.471 3.451 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(c4ccccn4)CC3)C2)c(F)c1 ZINC000160168592 1424582530 /nfs/dbraw/zinc/58/25/30/1424582530.db2.gz FEYAFEHNKLFQKY-LJQANCHMSA-N 1 0 379.483 3.320 20 30 GGEDRO Cn1cc(C[NH2+]Cc2cccc(Cn3cccn3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180098690 1429737450 /nfs/dbraw/zinc/73/74/50/1429737450.db2.gz JDLOKKWQYUYVDL-UHFFFAOYSA-N 1 0 382.471 3.493 20 30 GGEDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000160235093 1424589364 /nfs/dbraw/zinc/58/93/64/1424589364.db2.gz IJNIJKIJAJQTJO-UHFFFAOYSA-N 1 0 382.483 3.314 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000160239897 1424589893 /nfs/dbraw/zinc/58/98/93/1424589893.db2.gz TUWOCISEBNMELV-UHFFFAOYSA-N 1 0 378.476 3.246 20 30 GGEDRO C[NH+](C)C1(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCOCC1 ZINC000160335997 1424596220 /nfs/dbraw/zinc/59/62/20/1424596220.db2.gz SOGMFCGXKBPXQG-UHFFFAOYSA-N 1 0 378.476 3.142 20 30 GGEDRO Cc1cccc(OC[C@@H](O)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160693160 1424627246 /nfs/dbraw/zinc/62/72/46/1424627246.db2.gz GXBUZATXUUQBPG-ZDUSSCGKSA-N 1 0 383.370 3.060 20 30 GGEDRO [NH2+]=C(NCC(=O)N1CCCc2ccccc21)Nc1ccccc1OC(F)(F)F ZINC000160690882 1424627323 /nfs/dbraw/zinc/62/73/23/1424627323.db2.gz BNNABHSHOXQJGB-UHFFFAOYSA-N 1 0 392.381 3.291 20 30 GGEDRO CC(=O)Nc1cccc(OCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160715518 1424629766 /nfs/dbraw/zinc/62/97/66/1424629766.db2.gz YMTOTYMKKVATAH-UHFFFAOYSA-N 1 0 396.369 3.349 20 30 GGEDRO CN(C)C(=O)c1cccc(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160740734 1424632008 /nfs/dbraw/zinc/63/20/08/1424632008.db2.gz DEVDWHUUOADYCC-UHFFFAOYSA-N 1 0 394.397 3.256 20 30 GGEDRO Cn1cc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(C(F)(F)F)n1 ZINC000160801170 1424635366 /nfs/dbraw/zinc/63/53/66/1424635366.db2.gz AFVDEANYOZMJEA-UHFFFAOYSA-N 1 0 381.280 3.264 20 30 GGEDRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)c1 ZINC000160842886 1424637961 /nfs/dbraw/zinc/63/79/61/1424637961.db2.gz NHCZZYSIXRCOCJ-UHFFFAOYSA-N 1 0 389.496 3.159 20 30 GGEDRO C[C@H]1C[NH+](CC2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000160913322 1424644310 /nfs/dbraw/zinc/64/43/10/1424644310.db2.gz ALVJCZXMHGRRSV-ROUUACIJSA-N 1 0 399.535 3.063 20 30 GGEDRO Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)nc(-c2ccc(Cl)cc2)n1 ZINC000161323293 1424676558 /nfs/dbraw/zinc/67/65/58/1424676558.db2.gz VBPCCWACJFBXEF-UHFFFAOYSA-N 1 0 385.899 3.413 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC[C@@H]21 ZINC000161496005 1424695778 /nfs/dbraw/zinc/69/57/78/1424695778.db2.gz VGVWSOSDILHQHS-CJNGLKHVSA-N 1 0 396.413 3.447 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000161526407 1424701020 /nfs/dbraw/zinc/70/10/20/1424701020.db2.gz ANINMUOAVBNPRB-DLBZAZTESA-N 1 0 386.517 3.361 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CNc1cccc(C#N)c1 ZINC000161565682 1424713356 /nfs/dbraw/zinc/71/33/56/1424713356.db2.gz IWQPNSJJMDEKOS-OAQYLSRUSA-N 1 0 392.503 3.189 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(-c2ncn(C)n2)c1)C(C)C ZINC000161620033 1424726229 /nfs/dbraw/zinc/72/62/29/1424726229.db2.gz VYILTWMPESXXBC-LJQANCHMSA-N 1 0 382.512 3.302 20 30 GGEDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161665764 1424735624 /nfs/dbraw/zinc/73/56/24/1424735624.db2.gz LNWBSWURMHKKJJ-NRFANRHFSA-N 1 0 382.483 3.299 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)OCCCO2 ZINC000161695213 1424742850 /nfs/dbraw/zinc/74/28/50/1424742850.db2.gz WQJZIUXSMVIWNM-MRXNPFEDSA-N 1 0 378.476 3.434 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000161727338 1424751914 /nfs/dbraw/zinc/75/19/14/1424751914.db2.gz DMPBJUMVWKEGAT-QGZVFWFLSA-N 1 0 381.476 3.438 20 30 GGEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000161764803 1424759450 /nfs/dbraw/zinc/75/94/50/1424759450.db2.gz IUYJVJPWEJBFJK-KRWDZBQOSA-N 1 0 389.503 3.400 20 30 GGEDRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000161771226 1424760737 /nfs/dbraw/zinc/76/07/37/1424760737.db2.gz SBVBHFHWDUHDHA-UHFFFAOYSA-N 1 0 378.904 3.242 20 30 GGEDRO CCCCc1nnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000161913795 1424794681 /nfs/dbraw/zinc/79/46/81/1424794681.db2.gz JBCNDOMADUWMKY-UHFFFAOYSA-N 1 0 386.525 3.348 20 30 GGEDRO CCOC(=O)CC[C@H]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000161983778 1424805897 /nfs/dbraw/zinc/80/58/97/1424805897.db2.gz MKMMGAVVKOQJHL-CQSZACIVSA-N 1 0 377.872 3.205 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2OCCN2CCOCC2)cc1 ZINC000162021862 1424809603 /nfs/dbraw/zinc/80/96/03/1424809603.db2.gz DOSMALMFZLEMBD-FQEVSTJZSA-N 1 0 394.515 3.260 20 30 GGEDRO C[C@@H]([NH2+]C(C)(C)CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000162146675 1424820143 /nfs/dbraw/zinc/82/01/43/1424820143.db2.gz LZYWMRMOSQYHLL-OAHLLOKOSA-N 1 0 389.496 3.246 20 30 GGEDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162339429 1424839733 /nfs/dbraw/zinc/83/97/33/1424839733.db2.gz PONWKNTUTALUHN-HUUCEWRRSA-N 1 0 375.538 3.453 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000162393357 1424845664 /nfs/dbraw/zinc/84/56/64/1424845664.db2.gz QQUMKUCYHWFWNA-UHFFFAOYSA-N 1 0 398.414 3.024 20 30 GGEDRO CC(=O)Nc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000162446870 1424852885 /nfs/dbraw/zinc/85/28/85/1424852885.db2.gz ZXBPBSSKNVTLGS-UHFFFAOYSA-N 1 0 379.464 3.112 20 30 GGEDRO CC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000162796633 1424891097 /nfs/dbraw/zinc/89/10/97/1424891097.db2.gz APNOTYZRCUEOPR-UHFFFAOYSA-N 1 0 393.491 3.421 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000162809675 1424892598 /nfs/dbraw/zinc/89/25/98/1424892598.db2.gz YLDREGUWPVGHBB-WMZOPIPTSA-N 1 0 393.528 3.114 20 30 GGEDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1CO ZINC000162924740 1424907302 /nfs/dbraw/zinc/90/73/02/1424907302.db2.gz IILULSCAZPAZOV-WMLDXEAASA-N 1 0 375.538 3.310 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000162932042 1424908117 /nfs/dbraw/zinc/90/81/17/1424908117.db2.gz VAWWKMWRUSKKSQ-GOSISDBHSA-N 1 0 386.515 3.411 20 30 GGEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1F ZINC000163079134 1424935882 /nfs/dbraw/zinc/93/58/82/1424935882.db2.gz DOJQPGSCTKUERZ-NRFANRHFSA-N 1 0 381.451 3.025 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@H]1CCOC1 ZINC000163095551 1424938906 /nfs/dbraw/zinc/93/89/06/1424938906.db2.gz ZFKJWVDDVJNZKT-SJORKVTESA-N 1 0 392.503 3.181 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@@H]1CCOC1 ZINC000163095194 1424939642 /nfs/dbraw/zinc/93/96/42/1424939642.db2.gz ZFKJWVDDVJNZKT-DLBZAZTESA-N 1 0 392.503 3.181 20 30 GGEDRO COc1cc(/C=C/C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1OCC#N ZINC000180157117 1429767888 /nfs/dbraw/zinc/76/78/88/1429767888.db2.gz JVETWQXDSKDLOK-VWWJITKZSA-N 1 0 391.471 3.172 20 30 GGEDRO COc1cc(/C=C/C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)ccc1OCC#N ZINC000163338459 1424981045 /nfs/dbraw/zinc/98/10/45/1424981045.db2.gz WLCZABOOWFQYCK-QRBZPYHOSA-N 1 0 385.508 3.095 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000163647046 1425028519 /nfs/dbraw/zinc/02/85/19/1425028519.db2.gz XWMCRRWEZMFVIZ-IBGZPJMESA-N 1 0 387.524 3.210 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNc1cccc(C#N)c1 ZINC000163695220 1425035711 /nfs/dbraw/zinc/03/57/11/1425035711.db2.gz OWIJTEAVEYJFSP-OAQYLSRUSA-N 1 0 376.504 3.341 20 30 GGEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)Cc2ccccc2)nnc1-c1ccccn1 ZINC000163847232 1425050101 /nfs/dbraw/zinc/05/01/01/1425050101.db2.gz RWAHXGLGNQVTSA-GOSISDBHSA-N 1 0 395.532 3.111 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(CC(=O)Nc2cccc(C)c2C)[C@H](C)CC)CC1 ZINC000164041274 1425071203 /nfs/dbraw/zinc/07/12/03/1425071203.db2.gz MBWMXOVVUCXGNS-GOSISDBHSA-N 1 0 383.536 3.214 20 30 GGEDRO C=CCc1cc(C[N@H+]2CCCN(c3nccc(OCC)n3)CC2)c(O)c(OC)c1 ZINC000164530962 1425121390 /nfs/dbraw/zinc/12/13/90/1425121390.db2.gz HGKIOYGSBZTGFX-UHFFFAOYSA-N 1 0 398.507 3.030 20 30 GGEDRO C=CCn1c(-c2cccnc2)nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000164684965 1425135414 /nfs/dbraw/zinc/13/54/14/1425135414.db2.gz KBYDRISLZLJJNV-ROUUACIJSA-N 1 0 384.553 3.036 20 30 GGEDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2F)CC1 ZINC000166495086 1425213691 /nfs/dbraw/zinc/21/36/91/1425213691.db2.gz LBDWDZNEOQMRFS-UHFFFAOYSA-N 1 0 383.427 3.360 20 30 GGEDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C#N)c3)C2)cc(OC)c1 ZINC000167080514 1425221934 /nfs/dbraw/zinc/22/19/34/1425221934.db2.gz HSWFGYPNXFBIAQ-KRWDZBQOSA-N 1 0 382.420 3.170 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NCC(F)(F)F)[n+]1ccc(C)cc1 ZINC000170637268 1425270670 /nfs/dbraw/zinc/27/06/70/1425270670.db2.gz WISJGTXQIDSZDR-UHFFFAOYSA-O 1 0 383.415 3.382 20 30 GGEDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000170652865 1425278619 /nfs/dbraw/zinc/27/86/19/1425278619.db2.gz MNIJQVJDMFDLQF-OAHLLOKOSA-N 1 0 392.525 3.280 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000170725205 1425319376 /nfs/dbraw/zinc/31/93/76/1425319376.db2.gz OAQZSLRAIBIMSU-UHFFFAOYSA-N 1 0 378.354 3.039 20 30 GGEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCC[C@@H]2c3ccccc3NC2=O)c1 ZINC000170907459 1425387659 /nfs/dbraw/zinc/38/76/59/1425387659.db2.gz JYARUILPZKPMPL-MRXNPFEDSA-N 1 0 382.464 3.337 20 30 GGEDRO [NH2+]=C(NCCc1ccc2c(c1)OCCO2)Nc1ccc(OC(F)(F)F)cc1 ZINC000170905900 1425387826 /nfs/dbraw/zinc/38/78/26/1425387826.db2.gz UIQBZCIDMQLUIQ-UHFFFAOYSA-N 1 0 381.354 3.326 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCCCc1cn(-c2ccccc2)nc1C ZINC000170906856 1425387837 /nfs/dbraw/zinc/38/78/37/1425387837.db2.gz GHWLJLPEMKRSJH-UHFFFAOYSA-N 1 0 377.492 3.226 20 30 GGEDRO [NH2+]=C(NCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 ZINC000170904864 1425387856 /nfs/dbraw/zinc/38/78/56/1425387856.db2.gz XMQVODRDKDDJHQ-UHFFFAOYSA-N 1 0 377.897 3.029 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000170909781 1425388212 /nfs/dbraw/zinc/38/82/12/1425388212.db2.gz FEVIRDSFCVMZHM-UHFFFAOYSA-N 1 0 378.432 3.145 20 30 GGEDRO CN(C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1)C(=O)OC(C)(C)C ZINC000170918007 1425389706 /nfs/dbraw/zinc/38/97/06/1425389706.db2.gz USBISCNIZIBBNB-MRXNPFEDSA-N 1 0 386.496 3.076 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1)C(=O)OC(C)(C)C ZINC000170918713 1425392869 /nfs/dbraw/zinc/39/28/69/1425392869.db2.gz WIVOEXIPTFRAFR-AWEZNQCLSA-N 1 0 392.525 3.137 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000171057785 1425459278 /nfs/dbraw/zinc/45/92/78/1425459278.db2.gz AIQRWBYXBKNSQJ-UHFFFAOYSA-N 1 0 397.567 3.037 20 30 GGEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NCCc1ccccn1)[n+]1ccccc1 ZINC000171086737 1425475493 /nfs/dbraw/zinc/47/54/93/1425475493.db2.gz XKXROLWLLLEVQB-UHFFFAOYSA-O 1 0 398.458 3.418 20 30 GGEDRO CCn1cc(NC(=S)C(C(=O)c2ccccc2OC)[n+]2ccccc2)cn1 ZINC000171086849 1425475666 /nfs/dbraw/zinc/47/56/66/1425475666.db2.gz KRQPDWJFDMHJBV-UHFFFAOYSA-O 1 0 381.481 3.250 20 30 GGEDRO O=C(c1ccccc1)C(C(=S)NCCc1cccs1)[n+]1cccc(CO)c1 ZINC000171208753 1425540911 /nfs/dbraw/zinc/54/09/11/1425540911.db2.gz XBPQYCXGXHMIHQ-UHFFFAOYSA-O 1 0 397.545 3.299 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000171226019 1425549811 /nfs/dbraw/zinc/54/98/11/1425549811.db2.gz CYYZZYUOEPBVOH-INIZCTEOSA-N 1 0 398.482 3.442 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000171238044 1425560661 /nfs/dbraw/zinc/56/06/61/1425560661.db2.gz SADVUMXBZMESRC-GOSISDBHSA-N 1 0 385.508 3.024 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000171238048 1425561208 /nfs/dbraw/zinc/56/12/08/1425561208.db2.gz SADVUMXBZMESRC-SFHVURJKSA-N 1 0 385.508 3.024 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000171384734 1425653978 /nfs/dbraw/zinc/65/39/78/1425653978.db2.gz WBKGVUOPPHALGT-UHFFFAOYSA-N 1 0 376.504 3.341 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1 ZINC000171394637 1425659903 /nfs/dbraw/zinc/65/99/03/1425659903.db2.gz UUVMMSSUEBCXSO-UHFFFAOYSA-N 1 0 395.503 3.089 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccccn2)s1 ZINC000171412026 1425668281 /nfs/dbraw/zinc/66/82/81/1425668281.db2.gz PQEWACOLIISRLM-UHFFFAOYSA-N 1 0 391.500 3.281 20 30 GGEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000171440982 1425679262 /nfs/dbraw/zinc/67/92/62/1425679262.db2.gz UFRLVNOZFJYQSJ-NRFANRHFSA-N 1 0 375.472 3.448 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000171468981 1425692392 /nfs/dbraw/zinc/69/23/92/1425692392.db2.gz OZUQGHHIPVGAPC-UHFFFAOYSA-N 1 0 393.413 3.199 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(CCOC)Cc2ccc(F)cc2Cl)CC1 ZINC000171550130 1425730672 /nfs/dbraw/zinc/73/06/72/1425730672.db2.gz VXAXNTNMVDISCK-UHFFFAOYSA-N 1 0 383.895 3.288 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000171557325 1425733648 /nfs/dbraw/zinc/73/36/48/1425733648.db2.gz FEQGVYKGBUVHEF-INIZCTEOSA-N 1 0 386.496 3.044 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000171561033 1425735634 /nfs/dbraw/zinc/73/56/34/1425735634.db2.gz PHHOBJHHCKSSAK-RMKNXTFCSA-N 1 0 382.552 3.068 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nn(-c3ccccc3)cc2OCC(C)C)CC1 ZINC000171605886 1425756487 /nfs/dbraw/zinc/75/64/87/1425756487.db2.gz WGYXCEMFUAHJDR-UHFFFAOYSA-N 1 0 382.508 3.287 20 30 GGEDRO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611656 1425758236 /nfs/dbraw/zinc/75/82/36/1425758236.db2.gz FTPNCIXAWAGZHK-KRWDZBQOSA-N 1 0 392.544 3.050 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CC1 ZINC000171677099 1425786538 /nfs/dbraw/zinc/78/65/38/1425786538.db2.gz JYXLLENGLVEEDL-QGZVFWFLSA-N 1 0 377.460 3.155 20 30 GGEDRO COc1cccc([C@@H](C)N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000171705444 1425795868 /nfs/dbraw/zinc/79/58/68/1425795868.db2.gz PEGTZKOSOYJABR-GOSISDBHSA-N 1 0 392.503 3.274 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CCC[C@H]2C[NH+]2CCCC2)sc2c1CCCC2 ZINC000171707793 1425798335 /nfs/dbraw/zinc/79/83/35/1425798335.db2.gz VFKYXDMONJKPAP-INIZCTEOSA-N 1 0 386.565 3.387 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)CC1 ZINC000171710062 1425799664 /nfs/dbraw/zinc/79/96/64/1425799664.db2.gz VQRTVEINIPXQHB-UHFFFAOYSA-N 1 0 396.491 3.332 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000171719746 1425802689 /nfs/dbraw/zinc/80/26/89/1425802689.db2.gz DHCAISWOSDICJV-UHFFFAOYSA-N 1 0 381.904 3.197 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000171722296 1425803574 /nfs/dbraw/zinc/80/35/74/1425803574.db2.gz HGEDJZZPXBBCLB-UHFFFAOYSA-N 1 0 385.533 3.340 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CSc2nccn2-c2cc(C)ccc2C)CC1 ZINC000171724301 1425803958 /nfs/dbraw/zinc/80/39/58/1425803958.db2.gz JNBQKTYDISWCPR-UHFFFAOYSA-N 1 0 384.549 3.348 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CSc2nccn2-c2cccc(C)c2C)CC1 ZINC000171724294 1425804142 /nfs/dbraw/zinc/80/41/42/1425804142.db2.gz VJDDOBFYKQUFRO-UHFFFAOYSA-N 1 0 384.549 3.348 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CSc2nnc(-c3ccccc3C)n2CC)CC1 ZINC000171726660 1425804680 /nfs/dbraw/zinc/80/46/80/1425804680.db2.gz HLDKGLCILFMJKQ-UHFFFAOYSA-N 1 0 399.564 3.132 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OC)c(OC3CCCC3)c2)CC1 ZINC000171734050 1425806156 /nfs/dbraw/zinc/80/61/56/1425806156.db2.gz JSLZZUSQBSDVIK-UHFFFAOYSA-N 1 0 387.524 3.466 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000171734175 1425806213 /nfs/dbraw/zinc/80/62/13/1425806213.db2.gz PRDVJEUKVVFATI-UHFFFAOYSA-N 1 0 385.508 3.177 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)CSc2ccccc2OC)CC1 ZINC000171734328 1425806332 /nfs/dbraw/zinc/80/63/32/1425806332.db2.gz YFONGPDPDNFGFQ-MRXNPFEDSA-N 1 0 377.554 3.373 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](C)CSc2ccccc2OC)CC1 ZINC000171734321 1425806395 /nfs/dbraw/zinc/80/63/95/1425806395.db2.gz YFONGPDPDNFGFQ-INIZCTEOSA-N 1 0 377.554 3.373 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000171736112 1425806941 /nfs/dbraw/zinc/80/69/41/1425806941.db2.gz XXYWPJSPVVTTQT-UHFFFAOYSA-N 1 0 391.943 3.338 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CC1 ZINC000171738483 1425807608 /nfs/dbraw/zinc/80/76/08/1425807608.db2.gz UEVUHXYREDGMSY-UHFFFAOYSA-N 1 0 392.503 3.389 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC000171738645 1425807661 /nfs/dbraw/zinc/80/76/61/1425807661.db2.gz JIMGHGYPFZXMIQ-GOSISDBHSA-N 1 0 381.879 3.212 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000171738779 1425808170 /nfs/dbraw/zinc/80/81/70/1425808170.db2.gz LGBREYKQFXHMPM-UHFFFAOYSA-N 1 0 376.932 3.130 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000171738703 1425808206 /nfs/dbraw/zinc/80/82/06/1425808206.db2.gz XFENJMVTGNHFHT-GOSISDBHSA-N 1 0 394.560 3.068 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000171740893 1425808681 /nfs/dbraw/zinc/80/86/81/1425808681.db2.gz CTLXQBOCCUZZMR-UHFFFAOYSA-N 1 0 383.439 3.088 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2OC)C[C@H]2CCCO2)CC1 ZINC000171741654 1425808708 /nfs/dbraw/zinc/80/87/08/1425808708.db2.gz PRQQXACAWHKMDV-HXUWFJFHSA-N 1 0 387.524 3.036 20 30 GGEDRO N#CCOc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000171769120 1425815553 /nfs/dbraw/zinc/81/55/53/1425815553.db2.gz IYCHTEFHCPEVNI-UHFFFAOYSA-N 1 0 389.249 3.412 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)CC1 ZINC000171920080 1425852392 /nfs/dbraw/zinc/85/23/92/1425852392.db2.gz AHWXQIHCADWSLS-UHFFFAOYSA-N 1 0 393.553 3.172 20 30 GGEDRO CCOC(=O)[C@@H](c1ccccc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000171945283 1425858853 /nfs/dbraw/zinc/85/88/53/1425858853.db2.gz SKVHUTQIKGWSPV-JOCHJYFZSA-N 1 0 377.488 3.370 20 30 GGEDRO C[C@@H]([NH2+]C1(CNC(=O)c2cccc(CC#N)c2)CCOCC1)c1ccccc1 ZINC000172061812 1425886037 /nfs/dbraw/zinc/88/60/37/1425886037.db2.gz UDSSFMNYQZSPIN-GOSISDBHSA-N 1 0 377.488 3.382 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000172114583 1425900877 /nfs/dbraw/zinc/90/08/77/1425900877.db2.gz OEJPGWPMKZEWDS-QGZVFWFLSA-N 1 0 386.517 3.190 20 30 GGEDRO COc1cccc([C@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000172120520 1425903646 /nfs/dbraw/zinc/90/36/46/1425903646.db2.gz AWYVYJQKLZQDQE-OAQYLSRUSA-N 1 0 376.460 3.296 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)c(O)c1 ZINC000172127519 1425907081 /nfs/dbraw/zinc/90/70/81/1425907081.db2.gz WKFSCIRORHLNQB-SGSZHJQISA-N 1 0 395.503 3.467 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(OC)c2OC2CCCC2)CC1 ZINC000172264942 1425974557 /nfs/dbraw/zinc/97/45/57/1425974557.db2.gz WYQYJNABGVSKAN-UHFFFAOYSA-N 1 0 387.524 3.466 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000172340795 1426006705 /nfs/dbraw/zinc/00/67/05/1426006705.db2.gz PWVPFMOJGMTDIH-INIZCTEOSA-N 1 0 378.476 3.051 20 30 GGEDRO N#Cc1ccc(CC(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000172376140 1426018840 /nfs/dbraw/zinc/01/88/40/1426018840.db2.gz AXRBUIZTURBDDY-UHFFFAOYSA-N 1 0 397.906 3.414 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nnc2ccccn21 ZINC000172613919 1426114613 /nfs/dbraw/zinc/11/46/13/1426114613.db2.gz BSBPMKKVRQTQLH-ZDUSSCGKSA-N 1 0 394.504 3.221 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000172676343 1426139007 /nfs/dbraw/zinc/13/90/07/1426139007.db2.gz GJBRFHDZKODAED-QGZVFWFLSA-N 1 0 383.517 3.371 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000172680998 1426140560 /nfs/dbraw/zinc/14/05/60/1426140560.db2.gz DVNLRCJQGJRKLD-SFHVURJKSA-N 1 0 383.517 3.152 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000172692676 1426145563 /nfs/dbraw/zinc/14/55/63/1426145563.db2.gz HIAYFQOQOVIBOG-INIZCTEOSA-N 1 0 388.487 3.076 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000172692670 1426145848 /nfs/dbraw/zinc/14/58/48/1426145848.db2.gz HIAYFQOQOVIBOG-MRXNPFEDSA-N 1 0 388.487 3.076 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000172752799 1426173718 /nfs/dbraw/zinc/17/37/18/1426173718.db2.gz PFSYHBGKLNOGHL-SFHVURJKSA-N 1 0 384.524 3.327 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)c1 ZINC000172788146 1426188481 /nfs/dbraw/zinc/18/84/81/1426188481.db2.gz YPXBVVNXCXJZCX-NRFANRHFSA-N 1 0 377.444 3.427 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000173101910 1426342710 /nfs/dbraw/zinc/34/27/10/1426342710.db2.gz VNPUMKLWMKRWET-IBGZPJMESA-N 1 0 387.524 3.062 20 30 GGEDRO C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000173179576 1426380280 /nfs/dbraw/zinc/38/02/80/1426380280.db2.gz DWQIYKYWNBLGJF-LJQANCHMSA-N 1 0 399.535 3.257 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173198576 1426387865 /nfs/dbraw/zinc/38/78/65/1426387865.db2.gz IKLQBYJCOJRLDX-WMZOPIPTSA-N 1 0 394.560 3.020 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000173222643 1426405552 /nfs/dbraw/zinc/40/55/52/1426405552.db2.gz BJGJFKJKFXPBIJ-HXUWFJFHSA-N 1 0 383.517 3.091 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)ccc2NC1=O ZINC000173229085 1426413512 /nfs/dbraw/zinc/41/35/12/1426413512.db2.gz AISRXKNGLBGBAY-TYILLQQXSA-N 1 0 392.459 3.346 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)ccc2NC1=O ZINC000173228959 1426413599 /nfs/dbraw/zinc/41/35/99/1426413599.db2.gz UNSCNWXVKDCXFU-VKJFTORMSA-N 1 0 398.507 3.178 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000173271137 1426449075 /nfs/dbraw/zinc/44/90/75/1426449075.db2.gz BMOVPTIEHJQWCY-UHFFFAOYSA-N 1 0 379.460 3.184 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000173271278 1426449327 /nfs/dbraw/zinc/44/93/27/1426449327.db2.gz LQKDBCJOTUTNSD-UHFFFAOYSA-N 1 0 389.805 3.064 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)CC1 ZINC000173273971 1426452290 /nfs/dbraw/zinc/45/22/90/1426452290.db2.gz YJVJNZQCPQZUGJ-UHFFFAOYSA-N 1 0 397.450 3.323 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)CC1 ZINC000173273901 1426452393 /nfs/dbraw/zinc/45/23/93/1426452393.db2.gz CVLYKQFRSDIGKM-UHFFFAOYSA-N 1 0 399.535 3.351 20 30 GGEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccc(F)cc1 ZINC000173279773 1426455942 /nfs/dbraw/zinc/45/59/42/1426455942.db2.gz SGNKQTNMMLXRKS-KRWDZBQOSA-N 1 0 398.482 3.238 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000173322961 1426505552 /nfs/dbraw/zinc/50/55/52/1426505552.db2.gz VAFFRVPHDAWCAK-LPHOPBHVSA-N 1 0 389.546 3.290 20 30 GGEDRO C[C@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000173515355 1426687454 /nfs/dbraw/zinc/68/74/54/1426687454.db2.gz KWWVVNLNSQFMTL-IBGZPJMESA-N 1 0 377.488 3.254 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000173578797 1426744836 /nfs/dbraw/zinc/74/48/36/1426744836.db2.gz QVZFGCISPSFUTN-UHFFFAOYSA-N 1 0 390.837 3.322 20 30 GGEDRO Cc1cc2c(cc1C)O[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C2 ZINC000173580565 1426745768 /nfs/dbraw/zinc/74/57/68/1426745768.db2.gz VISFTFIJPYPJAN-JOCHJYFZSA-N 1 0 377.488 3.069 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173600303 1426768809 /nfs/dbraw/zinc/76/88/09/1426768809.db2.gz UVQFYMHJIZWJCG-HZPDHXFCSA-N 1 0 386.565 3.243 20 30 GGEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000173655897 1426811904 /nfs/dbraw/zinc/81/19/04/1426811904.db2.gz XLUMRPSGLUSIHX-IFMALSPDSA-N 1 0 375.472 3.202 20 30 GGEDRO CC[NH+](CC)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173791315 1426852454 /nfs/dbraw/zinc/85/24/54/1426852454.db2.gz YLFQLIFMVYUJEU-MRXNPFEDSA-N 1 0 388.581 3.491 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000173798894 1426854267 /nfs/dbraw/zinc/85/42/67/1426854267.db2.gz GGNBPRMJSPJQQA-UHFFFAOYSA-N 1 0 382.439 3.019 20 30 GGEDRO O=C(NCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1)C1N=CC=CC1=O ZINC000173838874 1426865991 /nfs/dbraw/zinc/86/59/91/1426865991.db2.gz YSTPJIKRPCUXMN-VXPUYCOJSA-N 1 0 389.883 3.277 20 30 GGEDRO N#CCCN(C(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000173868140 1426876286 /nfs/dbraw/zinc/87/62/86/1426876286.db2.gz YHFKQUYCRWSSMR-GOSISDBHSA-N 1 0 388.943 3.394 20 30 GGEDRO N#Cc1ccc(CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C2CC2)cc1 ZINC000173867813 1426876311 /nfs/dbraw/zinc/87/63/11/1426876311.db2.gz WLLGGTVRXHIJDM-UHFFFAOYSA-N 1 0 388.515 3.262 20 30 GGEDRO CC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000173906088 1426887225 /nfs/dbraw/zinc/88/72/25/1426887225.db2.gz ARLSZSACHBTDFN-CVEARBPZSA-N 1 0 388.581 3.347 20 30 GGEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173979505 1426923328 /nfs/dbraw/zinc/92/33/28/1426923328.db2.gz VQNKHCKJZJGRLQ-RXVVDRJESA-N 1 0 376.504 3.339 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1cc(C#N)ccc1F ZINC000174024826 1426952056 /nfs/dbraw/zinc/95/20/56/1426952056.db2.gz HFSHUYKOFZOXIH-IBGZPJMESA-N 1 0 380.467 3.361 20 30 GGEDRO CCCCc1nc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000174125981 1427013179 /nfs/dbraw/zinc/01/31/79/1427013179.db2.gz ILEVPQQNAPOHOI-UHFFFAOYSA-N 1 0 388.537 3.284 20 30 GGEDRO Cc1cc(C)cc(OCCCO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)c1 ZINC000174127488 1427013493 /nfs/dbraw/zinc/01/34/93/1427013493.db2.gz IWFWELJNLJAWDU-UHFFFAOYSA-N 1 0 397.519 3.371 20 30 GGEDRO COc1cc(C#N)ccc1OCCO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000174128273 1427013963 /nfs/dbraw/zinc/01/39/63/1427013963.db2.gz JPRJFDONGYWOHJ-UHFFFAOYSA-N 1 0 394.475 3.273 20 30 GGEDRO NC(=[NH+]OCC(=O)Nc1cc(F)ccc1F)c1ccc(N2CCCCC2)cc1 ZINC000174129344 1427014679 /nfs/dbraw/zinc/01/46/79/1427014679.db2.gz RJDOSSAAOZQUNC-UHFFFAOYSA-N 1 0 388.418 3.231 20 30 GGEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)CC2)c1 ZINC000174191455 1427042187 /nfs/dbraw/zinc/04/21/87/1427042187.db2.gz CCGZAQWZWYIUIM-FQEVSTJZSA-N 1 0 396.535 3.376 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC000174200682 1427047087 /nfs/dbraw/zinc/04/70/87/1427047087.db2.gz FVCSTLHLDRRLCT-UHFFFAOYSA-N 1 0 397.441 3.111 20 30 GGEDRO CN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174235151 1427062842 /nfs/dbraw/zinc/06/28/42/1427062842.db2.gz RRBPKZXAUKRYGJ-OAQYLSRUSA-N 1 0 392.503 3.395 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248726 1427068804 /nfs/dbraw/zinc/06/88/04/1427068804.db2.gz JREZUNFFBXHCBM-MRXNPFEDSA-N 1 0 375.469 3.251 20 30 GGEDRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cc1C#N ZINC000174255984 1427072279 /nfs/dbraw/zinc/07/22/79/1427072279.db2.gz ZPHRRTKYXIVXMM-FQEVSTJZSA-N 1 0 385.895 3.383 20 30 GGEDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2ccc(C#N)o2)c2c(F)cccc2Cl)CCO1 ZINC000174271755 1427078576 /nfs/dbraw/zinc/07/85/76/1427078576.db2.gz NWOXEQPCUPXCTK-ACJLOTCBSA-N 1 0 377.847 3.495 20 30 GGEDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000174304119 1427092977 /nfs/dbraw/zinc/09/29/77/1427092977.db2.gz MCWKYJAIEWBWOH-MRXNPFEDSA-N 1 0 380.366 3.115 20 30 GGEDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1C#N ZINC000174304876 1427093406 /nfs/dbraw/zinc/09/34/06/1427093406.db2.gz KFQDIWVWPBHUMV-MRXNPFEDSA-N 1 0 380.366 3.115 20 30 GGEDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)cc1C#N ZINC000174306764 1427094216 /nfs/dbraw/zinc/09/42/16/1427094216.db2.gz DDPOXJKFIXTNBY-AWEZNQCLSA-N 1 0 381.259 3.403 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174361704 1427120115 /nfs/dbraw/zinc/12/01/15/1427120115.db2.gz XXPGHPQZOXOHGV-UHFFFAOYSA-N 1 0 390.531 3.356 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000174361749 1427120284 /nfs/dbraw/zinc/12/02/84/1427120284.db2.gz ZDBPXWHPUUVJES-UHFFFAOYSA-N 1 0 390.531 3.356 20 30 GGEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc21 ZINC000174369422 1427124137 /nfs/dbraw/zinc/12/41/37/1427124137.db2.gz PUBMZSHJJXRYBX-UHFFFAOYSA-N 1 0 376.460 3.286 20 30 GGEDRO COc1cc(C#N)ccc1OCCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400498 1427139086 /nfs/dbraw/zinc/13/90/86/1427139086.db2.gz CWONEFSBZQTJMU-NRFANRHFSA-N 1 0 379.504 3.400 20 30 GGEDRO N#C[C@@H](c1ccccc1)N1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000174578325 1427236748 /nfs/dbraw/zinc/23/67/48/1427236748.db2.gz UWNIBPYFGMZCPF-NRFANRHFSA-N 1 0 396.922 3.229 20 30 GGEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1O ZINC000174627253 1427273727 /nfs/dbraw/zinc/27/37/27/1427273727.db2.gz SQONANIXPQATDP-UHFFFAOYSA-N 1 0 385.489 3.283 20 30 GGEDRO CC[NH+]1CCN(c2ccccc2NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000174635275 1427278686 /nfs/dbraw/zinc/27/86/86/1427278686.db2.gz PSQWMIYMFZVAJY-UHFFFAOYSA-N 1 0 381.455 3.161 20 30 GGEDRO CCN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000174660698 1427293848 /nfs/dbraw/zinc/29/38/48/1427293848.db2.gz CLGRVYBNYNQXCQ-LJQANCHMSA-N 1 0 391.519 3.075 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1Cl ZINC000174759272 1427352492 /nfs/dbraw/zinc/35/24/92/1427352492.db2.gz STTYLZHLUXZRER-UHFFFAOYSA-N 1 0 376.888 3.320 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)CC1 ZINC000174777190 1427361242 /nfs/dbraw/zinc/36/12/42/1427361242.db2.gz CVCMAXRLNCTVOB-UHFFFAOYSA-N 1 0 382.549 3.020 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(CC)Cc2cc(Br)ccc2O)CC1 ZINC000174777027 1427361662 /nfs/dbraw/zinc/36/16/62/1427361662.db2.gz BJEGMAJNOPZQBJ-UHFFFAOYSA-N 1 0 396.329 3.337 20 30 GGEDRO CCC(CC)(CC)[NH2+]CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000174801286 1427376681 /nfs/dbraw/zinc/37/66/81/1427376681.db2.gz LLIJQYKXRGAJHG-UHFFFAOYSA-N 1 0 399.495 3.013 20 30 GGEDRO N#C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Cl ZINC000174840987 1427399170 /nfs/dbraw/zinc/39/91/70/1427399170.db2.gz LFCJQDVNEBTENB-HXUWFJFHSA-N 1 0 382.895 3.233 20 30 GGEDRO N#C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Cl ZINC000174840979 1427399383 /nfs/dbraw/zinc/39/93/83/1427399383.db2.gz LFCJQDVNEBTENB-FQEVSTJZSA-N 1 0 382.895 3.233 20 30 GGEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc2)CC1 ZINC000174840812 1427399421 /nfs/dbraw/zinc/39/94/21/1427399421.db2.gz WQNNCTYLVFBSIZ-FQEVSTJZSA-N 1 0 382.895 3.082 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1C#N ZINC000174888130 1427428319 /nfs/dbraw/zinc/42/83/19/1427428319.db2.gz WEVZIHVIRBFENK-KRWDZBQOSA-N 1 0 390.487 3.147 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+](C)CC23CCCCC3)c(OC)c1 ZINC000175060664 1427525113 /nfs/dbraw/zinc/52/51/13/1427525113.db2.gz PCGLOEPFSVFWHZ-FQEVSTJZSA-N 1 0 388.552 3.114 20 30 GGEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C#Cc3ccccc3)CC2)c1C ZINC000175122822 1427559042 /nfs/dbraw/zinc/55/90/42/1427559042.db2.gz ANNINVHMHRFFAQ-UHFFFAOYSA-N 1 0 391.515 3.182 20 30 GGEDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000175269294 1427637404 /nfs/dbraw/zinc/63/74/04/1427637404.db2.gz FFADRZLPOBVSKQ-LAUBAEHRSA-N 1 0 388.471 3.158 20 30 GGEDRO N#Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1Cl ZINC000175308570 1427666527 /nfs/dbraw/zinc/66/65/27/1427666527.db2.gz JKHIBMLYNPOLMO-UHFFFAOYSA-N 1 0 398.894 3.490 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000175450573 1427761745 /nfs/dbraw/zinc/76/17/45/1427761745.db2.gz ZCJRPOPTZWRIQF-UHFFFAOYSA-N 1 0 375.394 3.422 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)CC1 ZINC000175474329 1427774652 /nfs/dbraw/zinc/77/46/52/1427774652.db2.gz SHBMNEPXAZDDEL-NRFANRHFSA-N 1 0 398.551 3.021 20 30 GGEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175593925 1427825750 /nfs/dbraw/zinc/82/57/50/1427825750.db2.gz BEMXRMMDMRYTRU-QGZVFWFLSA-N 1 0 394.544 3.075 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175699410 1427863016 /nfs/dbraw/zinc/86/30/16/1427863016.db2.gz KWXSINYPCZXCKQ-MRXNPFEDSA-N 1 0 388.537 3.267 20 30 GGEDRO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000175783293 1427891188 /nfs/dbraw/zinc/89/11/88/1427891188.db2.gz NKJAJNYAPZMHTJ-UHFFFAOYSA-N 1 0 391.519 3.380 20 30 GGEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000175813807 1427905780 /nfs/dbraw/zinc/90/57/80/1427905780.db2.gz CJHXKULZMJCPCH-IFMALSPDSA-N 1 0 380.536 3.050 20 30 GGEDRO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000175813864 1427906431 /nfs/dbraw/zinc/90/64/31/1427906431.db2.gz CJHXKULZMJCPCH-UNMCSNQZSA-N 1 0 380.536 3.050 20 30 GGEDRO COCCC[N@H+](C)CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175837346 1427920260 /nfs/dbraw/zinc/92/02/60/1427920260.db2.gz BNGPXPWGMFTRSI-UHFFFAOYSA-N 1 0 383.517 3.408 20 30 GGEDRO C[C@H]1C[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175844955 1427926844 /nfs/dbraw/zinc/92/68/44/1427926844.db2.gz XNHGMRBZGNFDAT-LAUBAEHRSA-N 1 0 383.517 3.031 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175865557 1427940858 /nfs/dbraw/zinc/94/08/58/1427940858.db2.gz CVROZJYFSWUBIQ-MSOLQXFVSA-N 1 0 388.537 3.072 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000175971096 1428005330 /nfs/dbraw/zinc/00/53/30/1428005330.db2.gz NEXDTBDYYVTJDA-UHFFFAOYSA-N 1 0 378.476 3.145 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176025479 1428033122 /nfs/dbraw/zinc/03/31/22/1428033122.db2.gz VUKOJRWRYMAYLQ-UHFFFAOYSA-N 1 0 384.524 3.123 20 30 GGEDRO CC(C)C1CCC([NH+]2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000176027011 1428034243 /nfs/dbraw/zinc/03/42/43/1428034243.db2.gz NJJCSVRFNGDXPY-YDPRHXJPSA-N 1 0 394.563 3.496 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)C(C)C ZINC000176048924 1428049909 /nfs/dbraw/zinc/04/99/09/1428049909.db2.gz AWDOUHAFVAEPQQ-LJQANCHMSA-N 1 0 390.503 3.348 20 30 GGEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000176109831 1428088365 /nfs/dbraw/zinc/08/83/65/1428088365.db2.gz JYJJLXWPEHLRFL-UHFFFAOYSA-N 1 0 392.503 3.395 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000176151563 1428120788 /nfs/dbraw/zinc/12/07/88/1428120788.db2.gz SPWKJYUIGDHZNL-UYAOXDASSA-N 1 0 384.524 3.126 20 30 GGEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000176164282 1428130075 /nfs/dbraw/zinc/13/00/75/1428130075.db2.gz ZHVJMCOMSDBONX-QGZVFWFLSA-N 1 0 381.442 3.430 20 30 GGEDRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000176173245 1428138470 /nfs/dbraw/zinc/13/84/70/1428138470.db2.gz ZUYMWABRNLAYAX-OAHLLOKOSA-N 1 0 398.894 3.177 20 30 GGEDRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000176173233 1428138905 /nfs/dbraw/zinc/13/89/05/1428138905.db2.gz ZUYMWABRNLAYAX-HNNXBMFYSA-N 1 0 398.894 3.177 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000176212045 1428170550 /nfs/dbraw/zinc/17/05/50/1428170550.db2.gz OPYQFKQBLITBGV-FGTMMUONSA-N 1 0 388.512 3.048 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(COc3cccc(C(C)=O)c3)on2)CC1 ZINC000180174265 1429780965 /nfs/dbraw/zinc/78/09/65/1429780965.db2.gz STPKAPXSUBVSLB-UHFFFAOYSA-N 1 0 397.475 3.227 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2cccc(OCc3cccnc3)c2)CC1 ZINC000180174322 1429781097 /nfs/dbraw/zinc/78/10/97/1429781097.db2.gz MVALITHSEXKLLM-UHFFFAOYSA-N 1 0 379.504 3.360 20 30 GGEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)nn1-c1cc(C)cc(C)c1 ZINC000180193081 1429794910 /nfs/dbraw/zinc/79/49/10/1429794910.db2.gz VVTXKHAYNBCHLD-UHFFFAOYSA-N 1 0 382.512 3.497 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000180196642 1429797578 /nfs/dbraw/zinc/79/75/78/1429797578.db2.gz QATIEBKFVTYSAC-UHFFFAOYSA-N 1 0 395.956 3.488 20 30 GGEDRO Cn1cc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180197724 1429799045 /nfs/dbraw/zinc/79/90/45/1429799045.db2.gz FILZQWODRMSOMT-UHFFFAOYSA-N 1 0 393.535 3.083 20 30 GGEDRO Cn1cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c(-c2ccc(C#N)cc2)n1 ZINC000180215397 1429804062 /nfs/dbraw/zinc/80/40/62/1429804062.db2.gz HABGAYVLLCNEFR-NRFANRHFSA-N 1 0 382.414 3.234 20 30 GGEDRO C=CCSCC[NH2+][C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000180220436 1429805769 /nfs/dbraw/zinc/80/57/69/1429805769.db2.gz YGTBLWNDYARRHJ-HXUWFJFHSA-N 1 0 384.501 3.282 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180220959 1429806139 /nfs/dbraw/zinc/80/61/39/1429806139.db2.gz HXKAGDZZRHWDII-MRXNPFEDSA-N 1 0 384.430 3.210 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000180269220 1429820014 /nfs/dbraw/zinc/82/00/14/1429820014.db2.gz LYJNMFJGVMOHRN-UHFFFAOYSA-N 1 0 387.936 3.467 20 30 GGEDRO CN(CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000180279892 1429822928 /nfs/dbraw/zinc/82/29/28/1429822928.db2.gz RXTUCUXSZBSQHH-UHFFFAOYSA-N 1 0 377.467 3.319 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1)C1CC1 ZINC000180308466 1429832131 /nfs/dbraw/zinc/83/21/31/1429832131.db2.gz ATMZMNYCWKHWHZ-KNQAVFIVSA-N 1 0 381.451 3.344 20 30 GGEDRO Cn1cc(CNc2ccc(N3CC[NH+](C)CC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180310265 1429832972 /nfs/dbraw/zinc/83/29/72/1429832972.db2.gz IUHUJZQVZZPTQR-UHFFFAOYSA-N 1 0 386.503 3.323 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1Cl ZINC000180314358 1429834144 /nfs/dbraw/zinc/83/41/44/1429834144.db2.gz PQHHOMDGTCFSPF-UHFFFAOYSA-N 1 0 396.878 3.427 20 30 GGEDRO CN(C)C(=O)CC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000180334449 1429838511 /nfs/dbraw/zinc/83/85/11/1429838511.db2.gz UARYSKJCSNOOAS-UHFFFAOYSA-N 1 0 379.508 3.154 20 30 GGEDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000180362327 1429846718 /nfs/dbraw/zinc/84/67/18/1429846718.db2.gz FITBXCJPCSOGAT-UHFFFAOYSA-N 1 0 389.499 3.014 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000180411969 1429861463 /nfs/dbraw/zinc/86/14/63/1429861463.db2.gz IHMLWWYLXOKFNN-MSOLQXFVSA-N 1 0 399.535 3.349 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180601462 1429925511 /nfs/dbraw/zinc/92/55/11/1429925511.db2.gz ARRXWXPDVVHKFA-MRXNPFEDSA-N 1 0 396.466 3.491 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000180635118 1429945966 /nfs/dbraw/zinc/94/59/66/1429945966.db2.gz DDVJVQOLXIBNDZ-IBGZPJMESA-N 1 0 379.460 3.445 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654972 1429958999 /nfs/dbraw/zinc/95/89/99/1429958999.db2.gz ZHIGBSSURSGBOQ-GHTZIAJQSA-N 1 0 398.507 3.057 20 30 GGEDRO CC[NH+](CC)CCCC1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000180725709 1430002404 /nfs/dbraw/zinc/00/24/04/1430002404.db2.gz LFRBFKRDJGTZDI-OAQYLSRUSA-N 1 0 396.535 3.024 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180797618 1430045705 /nfs/dbraw/zinc/04/57/05/1430045705.db2.gz SOCVKEXQZJYEQN-UHFFFAOYSA-N 1 0 393.491 3.036 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)ccc1OC ZINC000180810955 1430053639 /nfs/dbraw/zinc/05/36/39/1430053639.db2.gz MCOXJXGSQLSVIH-KXBFYZLASA-N 1 0 392.463 3.203 20 30 GGEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)ccc1OC ZINC000180810972 1430053843 /nfs/dbraw/zinc/05/38/43/1430053843.db2.gz MCOXJXGSQLSVIH-HNAYVOBHSA-N 1 0 392.463 3.203 20 30 GGEDRO CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180869885 1430078527 /nfs/dbraw/zinc/07/85/27/1430078527.db2.gz WDFJWVCPTLIKIA-FTHOYRMOSA-N 1 0 375.900 3.413 20 30 GGEDRO COc1cccc(C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2ccccc2)c1 ZINC000180877842 1430083902 /nfs/dbraw/zinc/08/39/02/1430083902.db2.gz LZMICMCZKJTYBT-UXDFZSADSA-N 1 0 391.471 3.095 20 30 GGEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(OCc2ccccc2)c1 ZINC000180878944 1430084910 /nfs/dbraw/zinc/08/49/10/1430084910.db2.gz PSJXEOXQOXIQKM-ANZZGNCFSA-N 1 0 391.471 3.443 20 30 GGEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180880285 1430085240 /nfs/dbraw/zinc/08/52/40/1430085240.db2.gz SWNXCFCMQHXRES-KTVWJZFRSA-N 1 0 382.508 3.244 20 30 GGEDRO O=C(NCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21)C1N=CC=CC1=O ZINC000180880448 1430085281 /nfs/dbraw/zinc/08/52/81/1430085281.db2.gz RRDGUNLNISLABH-VDMFXUGISA-N 1 0 396.274 3.323 20 30 GGEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(SCC(F)F)cc1 ZINC000180880932 1430086111 /nfs/dbraw/zinc/08/61/11/1430086111.db2.gz OANZKSUCXSSXGR-GHXQLAGASA-N 1 0 381.448 3.221 20 30 GGEDRO N#Cc1cc(F)c(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c(F)c1 ZINC000180887553 1430090422 /nfs/dbraw/zinc/09/04/22/1430090422.db2.gz VMTYMATZGWWUMY-UHFFFAOYSA-N 1 0 399.441 3.284 20 30 GGEDRO N#CCOc1ccccc1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000180887274 1430090495 /nfs/dbraw/zinc/09/04/95/1430090495.db2.gz FLPSHPQAWKDSCZ-UHFFFAOYSA-N 1 0 393.487 3.036 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000180894562 1430094393 /nfs/dbraw/zinc/09/43/93/1430094393.db2.gz UYGHEQPQRXFLKH-GOSISDBHSA-N 1 0 395.503 3.217 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180921860 1430116284 /nfs/dbraw/zinc/11/62/84/1430116284.db2.gz DZJPIIKTIVODGK-VGOFRKELSA-N 1 0 378.472 3.159 20 30 GGEDRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000180964300 1430140170 /nfs/dbraw/zinc/14/01/70/1430140170.db2.gz OVARSZYRDGUNLC-JOCHJYFZSA-N 1 0 381.524 3.290 20 30 GGEDRO N#Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c[nH]1 ZINC000181177849 1430239275 /nfs/dbraw/zinc/23/92/75/1430239275.db2.gz MMICSXYCFVUWSQ-UHFFFAOYSA-N 1 0 376.382 3.253 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000181186592 1430241831 /nfs/dbraw/zinc/24/18/31/1430241831.db2.gz PZBDFIYHGHIRSQ-CRAIPNDOSA-N 1 0 388.899 3.316 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000181268448 1430259493 /nfs/dbraw/zinc/25/94/93/1430259493.db2.gz YAKSNEWHBIYOAY-OAHLLOKOSA-N 1 0 398.956 3.425 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000181272664 1430260600 /nfs/dbraw/zinc/26/06/00/1430260600.db2.gz WICZQTHRUJXYMN-ZDUSSCGKSA-N 1 0 384.461 3.256 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c(C#N)c1C ZINC000181278811 1430261854 /nfs/dbraw/zinc/26/18/54/1430261854.db2.gz DJOCXNOBEAVMHH-ZDUSSCGKSA-N 1 0 382.420 3.014 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181280362 1430262095 /nfs/dbraw/zinc/26/20/95/1430262095.db2.gz VNGQFSFPVKYAHU-OAHLLOKOSA-N 1 0 378.432 3.194 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181288638 1430263893 /nfs/dbraw/zinc/26/38/93/1430263893.db2.gz RZLPMGPOARLCAI-CYBMUJFWSA-N 1 0 398.850 3.458 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181292337 1430264764 /nfs/dbraw/zinc/26/47/64/1430264764.db2.gz KMBVCAQJHBWXLU-HNNXBMFYSA-N 1 0 378.432 3.194 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(N2CCOC2=O)c1 ZINC000181302254 1430267662 /nfs/dbraw/zinc/26/76/62/1430267662.db2.gz VCBNIZQBYJOJMV-CABCVRRESA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1ccccc1C#N ZINC000181302235 1430267796 /nfs/dbraw/zinc/26/77/96/1430267796.db2.gz VCBNIZQBYJOJMV-GJZGRUSLSA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NC1(C#N)CCCCC1 ZINC000181305973 1430268499 /nfs/dbraw/zinc/26/84/99/1430268499.db2.gz YWZXZOYBGFDHLQ-HOTGVXAUSA-N 1 0 384.480 3.025 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)Nc1cccc(C#N)c1 ZINC000181309514 1430269568 /nfs/dbraw/zinc/26/95/68/1430269568.db2.gz CWFBVQCOXUMDBU-HUUCEWRRSA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(N2CCOC2=O)c1 ZINC000181313419 1430270229 /nfs/dbraw/zinc/27/02/29/1430270229.db2.gz RGLUUBBWPVEZCH-CYBMUJFWSA-N 1 0 398.850 3.458 20 30 GGEDRO C=CCCC[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000181410070 1430290796 /nfs/dbraw/zinc/29/07/96/1430290796.db2.gz LKOXOIBBTCMKLF-LEWJYISDSA-N 1 0 399.583 3.370 20 30 GGEDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)N2CCOCC2)cc1OC ZINC000181415223 1430292589 /nfs/dbraw/zinc/29/25/89/1430292589.db2.gz NDGXKTHNQCGINN-UWJYYQICSA-N 1 0 395.503 3.300 20 30 GGEDRO C[C@@H]([NH2+]CCCN1CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181441632 1430300168 /nfs/dbraw/zinc/30/01/68/1430300168.db2.gz UTJFWTKSVSPCDX-HXUWFJFHSA-N 1 0 378.520 3.452 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(N2CCCC2=O)c1 ZINC000181442020 1430300194 /nfs/dbraw/zinc/30/01/94/1430300194.db2.gz JETMMAKHSRNFGO-INIZCTEOSA-N 1 0 376.460 3.364 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181447387 1430301678 /nfs/dbraw/zinc/30/16/78/1430301678.db2.gz MYZHUAFLBWUHBN-MRXNPFEDSA-N 1 0 379.460 3.423 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1C#N ZINC000181448305 1430301765 /nfs/dbraw/zinc/30/17/65/1430301765.db2.gz KJGYREBNTPAKOC-PXNSSMCTSA-N 1 0 398.507 3.039 20 30 GGEDRO C[C@H]([NH2+]CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000181449081 1430302105 /nfs/dbraw/zinc/30/21/05/1430302105.db2.gz JPRPDUXQFOOECP-SFHVURJKSA-N 1 0 382.483 3.201 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181452534 1430302752 /nfs/dbraw/zinc/30/27/52/1430302752.db2.gz UEVLCDIJQXZIIB-RYRKJORJSA-N 1 0 375.538 3.360 20 30 GGEDRO C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181454416 1430303306 /nfs/dbraw/zinc/30/33/06/1430303306.db2.gz SNQXLNDBOWXHKI-SFHVURJKSA-N 1 0 392.503 3.343 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000181468569 1430306153 /nfs/dbraw/zinc/30/61/53/1430306153.db2.gz GIKYLLJLGUEVEU-UHFFFAOYSA-N 1 0 375.520 3.308 20 30 GGEDRO CCNC(=O)c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181506175 1430311905 /nfs/dbraw/zinc/31/19/05/1430311905.db2.gz DVJONDZHQZTQOL-UHFFFAOYSA-N 1 0 376.504 3.062 20 30 GGEDRO CCC[N@H+](CCC(=O)N(C)CCC#N)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000181538754 1430317315 /nfs/dbraw/zinc/31/73/15/1430317315.db2.gz PTCJJIFBHQHIDN-UHFFFAOYSA-N 1 0 399.322 3.406 20 30 GGEDRO C[C@H]([NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181538719 1430317515 /nfs/dbraw/zinc/31/75/15/1430317515.db2.gz PDHSEIKHDZBEOQ-SFHVURJKSA-N 1 0 392.503 3.070 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000181546898 1430318437 /nfs/dbraw/zinc/31/84/37/1430318437.db2.gz WBUAVGIVGHEFJZ-CQSZACIVSA-N 1 0 376.378 3.230 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(OCC#N)cc1 ZINC000181577211 1430322557 /nfs/dbraw/zinc/32/25/57/1430322557.db2.gz IJCCYMPGTOJIIP-VGOFRKELSA-N 1 0 393.487 3.349 20 30 GGEDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(OCC#N)cc1 ZINC000181577191 1430322683 /nfs/dbraw/zinc/32/26/83/1430322683.db2.gz IJCCYMPGTOJIIP-HTAPYJJXSA-N 1 0 393.487 3.349 20 30 GGEDRO C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181582827 1430323613 /nfs/dbraw/zinc/32/36/13/1430323613.db2.gz WPURDAYKLFXCQB-IBGZPJMESA-N 1 0 395.503 3.151 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181592651 1430324973 /nfs/dbraw/zinc/32/49/73/1430324973.db2.gz QWPBUMPFHFBRQV-VGOFRKELSA-N 1 0 383.467 3.452 20 30 GGEDRO COc1ccc(OC)c(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181607264 1430327222 /nfs/dbraw/zinc/32/72/22/1430327222.db2.gz JULALLQWMSHGLA-UHFFFAOYSA-N 1 0 379.504 3.372 20 30 GGEDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000181609307 1430327465 /nfs/dbraw/zinc/32/74/65/1430327465.db2.gz PELWYRKIHQEKSK-UHFFFAOYSA-N 1 0 391.515 3.397 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CC(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000181609350 1430327557 /nfs/dbraw/zinc/32/75/57/1430327557.db2.gz NSTMEPIAVYGCNL-UHFFFAOYSA-N 1 0 388.515 3.092 20 30 GGEDRO C[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181612562 1430327786 /nfs/dbraw/zinc/32/77/86/1430327786.db2.gz IFRKMRKJTCDELE-IBGZPJMESA-N 1 0 395.503 3.151 20 30 GGEDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC#N)cc1 ZINC000181638304 1430332721 /nfs/dbraw/zinc/33/27/21/1430332721.db2.gz RURGZSDXIHRWQG-GCJKJVERSA-N 1 0 377.488 3.473 20 30 GGEDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC#N)cc1 ZINC000181638326 1430332765 /nfs/dbraw/zinc/33/27/65/1430332765.db2.gz RURGZSDXIHRWQG-PGRDOPGGSA-N 1 0 377.488 3.473 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000181644902 1430333969 /nfs/dbraw/zinc/33/39/69/1430333969.db2.gz NYZBHAOOAQXHAU-UHFFFAOYSA-N 1 0 380.458 3.139 20 30 GGEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000181656389 1430335899 /nfs/dbraw/zinc/33/58/99/1430335899.db2.gz KRYFXDVDDCORDN-UHFFFAOYSA-N 1 0 392.381 3.358 20 30 GGEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CC(=O)Nc1sccc1C#N ZINC000181658140 1430336358 /nfs/dbraw/zinc/33/63/58/1430336358.db2.gz UPIDZQMRXSHVBP-UHFFFAOYSA-N 1 0 398.410 3.419 20 30 GGEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000181661774 1430337213 /nfs/dbraw/zinc/33/72/13/1430337213.db2.gz IKZFBLWPFZDAAB-XMSQKQJNSA-N 1 0 378.520 3.183 20 30 GGEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000181661789 1430337257 /nfs/dbraw/zinc/33/72/57/1430337257.db2.gz IKZFBLWPFZDAAB-GCJKJVERSA-N 1 0 378.520 3.183 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181744424 1430351279 /nfs/dbraw/zinc/35/12/79/1430351279.db2.gz OSEYKKWZLRNWOQ-FQEVSTJZSA-N 1 0 384.524 3.122 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000181746861 1430352003 /nfs/dbraw/zinc/35/20/03/1430352003.db2.gz LUUYCPYVVKBSEW-MRXNPFEDSA-N 1 0 377.492 3.364 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000181758009 1430353624 /nfs/dbraw/zinc/35/36/24/1430353624.db2.gz WRNMFPDUERYVFE-JOCHJYFZSA-N 1 0 388.515 3.197 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000181759306 1430353971 /nfs/dbraw/zinc/35/39/71/1430353971.db2.gz UTUSXRYKUWAZNK-LJQANCHMSA-N 1 0 396.535 3.450 20 30 GGEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000181762506 1430354405 /nfs/dbraw/zinc/35/44/05/1430354405.db2.gz CDPOCZCRQWOFQZ-NRFANRHFSA-N 1 0 382.552 3.154 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000181765873 1430354952 /nfs/dbraw/zinc/35/49/52/1430354952.db2.gz CTNCTTXMVKZCCZ-QHCPKHFHSA-N 1 0 393.531 3.194 20 30 GGEDRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181807179 1430364501 /nfs/dbraw/zinc/36/45/01/1430364501.db2.gz WQKBXXDQDNTZBH-PMACEKPBSA-N 1 0 378.520 3.450 20 30 GGEDRO C=C(C)CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000181834153 1430369658 /nfs/dbraw/zinc/36/96/58/1430369658.db2.gz RAVAOEKYIAOVAI-UHFFFAOYSA-N 1 0 380.920 3.451 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(C(=O)C4CCCCC4)C3)CC2)cc1 ZINC000181899906 1430380097 /nfs/dbraw/zinc/38/00/97/1430380097.db2.gz GYUPPTFVGSGKBR-QHCPKHFHSA-N 1 0 394.563 3.293 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CCCNC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000181945416 1430387030 /nfs/dbraw/zinc/38/70/30/1430387030.db2.gz HHOGXYAMXMQNIC-UHFFFAOYSA-N 1 0 394.494 3.071 20 30 GGEDRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000181968325 1430389689 /nfs/dbraw/zinc/38/96/89/1430389689.db2.gz JUVDEVONMSUURW-IERDGZPVSA-N 1 0 379.460 3.049 20 30 GGEDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181973240 1430390341 /nfs/dbraw/zinc/39/03/41/1430390341.db2.gz LFBQZAGGMMSFGW-KRWDZBQOSA-N 1 0 383.517 3.203 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182019382 1430397687 /nfs/dbraw/zinc/39/76/87/1430397687.db2.gz WOLHCABNYQERCK-UTKZUKDTSA-N 1 0 378.476 3.086 20 30 GGEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000182043852 1430400997 /nfs/dbraw/zinc/40/09/97/1430400997.db2.gz KVWMYERBAWHZNO-KRWDZBQOSA-N 1 0 375.538 3.317 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](CC(N)=O)C2CCCCC2)c1 ZINC000182065444 1430404764 /nfs/dbraw/zinc/40/47/64/1430404764.db2.gz JGQBQEAGBKGLAJ-NQIIRXRSSA-N 1 0 398.551 3.353 20 30 GGEDRO CCSc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000182124224 1430415955 /nfs/dbraw/zinc/41/59/55/1430415955.db2.gz PLQNPPVCEQWGIS-FXAWDEMLSA-N 1 0 388.581 3.142 20 30 GGEDRO CCCC[N@H+](CCCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000182150023 1430420508 /nfs/dbraw/zinc/42/05/08/1430420508.db2.gz LDIDSJSGZFJYPG-UHFFFAOYSA-N 1 0 386.496 3.041 20 30 GGEDRO N#Cc1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c[nH]1 ZINC000182254859 1430437921 /nfs/dbraw/zinc/43/79/21/1430437921.db2.gz GJJCTPSDAMCOPP-MRXNPFEDSA-N 1 0 390.409 3.413 20 30 GGEDRO N#Cc1cc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c[nH]1 ZINC000182254834 1430437949 /nfs/dbraw/zinc/43/79/49/1430437949.db2.gz GJJCTPSDAMCOPP-INIZCTEOSA-N 1 0 390.409 3.413 20 30 GGEDRO N#Cc1ccc(CCC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000182302233 1430445037 /nfs/dbraw/zinc/44/50/37/1430445037.db2.gz PLEPOYNOEDXEFG-UHFFFAOYSA-N 1 0 391.515 3.324 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(Cl)cc1 ZINC000182308293 1430446044 /nfs/dbraw/zinc/44/60/44/1430446044.db2.gz CSSZKMITPJXPKU-MOPGFXCFSA-N 1 0 376.932 3.073 20 30 GGEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000182349919 1430452182 /nfs/dbraw/zinc/45/21/82/1430452182.db2.gz KZMRLCVXYHJDAF-LJQANCHMSA-N 1 0 393.487 3.317 20 30 GGEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000182498130 1430478465 /nfs/dbraw/zinc/47/84/65/1430478465.db2.gz YUFPLZFPWRQEMH-UHFFFAOYSA-N 1 0 396.535 3.438 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000182557575 1430491505 /nfs/dbraw/zinc/49/15/05/1430491505.db2.gz RNOSTYVFEASJKL-UHFFFAOYSA-N 1 0 384.524 3.247 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc(Cl)c1 ZINC000182594494 1430499381 /nfs/dbraw/zinc/49/93/81/1430499381.db2.gz QFGWGEUYRSSZQA-MOPGFXCFSA-N 1 0 376.932 3.073 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H](N3CC[NH+](CC4CCCCC4)CC3)C2=O)cc1 ZINC000182697627 1430520456 /nfs/dbraw/zinc/52/04/56/1430520456.db2.gz BMPHSEZWYCAROW-JOCHJYFZSA-N 1 0 380.536 3.252 20 30 GGEDRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182748407 1430532227 /nfs/dbraw/zinc/53/22/27/1430532227.db2.gz YDMFVNBMWONYPQ-INIZCTEOSA-N 1 0 376.570 3.261 20 30 GGEDRO CS(=O)(=O)Nc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182771823 1430537248 /nfs/dbraw/zinc/53/72/48/1430537248.db2.gz BARIMKDMNFVQIX-UHFFFAOYSA-N 1 0 384.505 3.006 20 30 GGEDRO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000182899455 1430566146 /nfs/dbraw/zinc/56/61/46/1430566146.db2.gz ZTTRWQFJMOSODC-JOCHJYFZSA-N 1 0 379.504 3.151 20 30 GGEDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000183005424 1430590385 /nfs/dbraw/zinc/59/03/85/1430590385.db2.gz AXPNVHWICCZTFB-FOIQADDNSA-N 1 0 394.450 3.282 20 30 GGEDRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000183005409 1430590639 /nfs/dbraw/zinc/59/06/39/1430590639.db2.gz AXPNVHWICCZTFB-YWZLYKJASA-N 1 0 394.450 3.282 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000183103508 1430613842 /nfs/dbraw/zinc/61/38/42/1430613842.db2.gz GNQDGSGSEPTGNX-GOSISDBHSA-N 1 0 378.476 3.128 20 30 GGEDRO Cc1cccc(CCCON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000183168095 1430636620 /nfs/dbraw/zinc/63/66/20/1430636620.db2.gz OVIJSPOZPQPUDV-UHFFFAOYSA-N 1 0 381.520 3.221 20 30 GGEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000183597987 1430750801 /nfs/dbraw/zinc/75/08/01/1430750801.db2.gz HRSCUJMQGCHUTO-PKOBYXMFSA-N 1 0 382.508 3.084 20 30 GGEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000183597951 1430750823 /nfs/dbraw/zinc/75/08/23/1430750823.db2.gz HRSCUJMQGCHUTO-HKUYNNGSSA-N 1 0 382.508 3.084 20 30 GGEDRO Cc1ccc(NC(=O)N2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000183620604 1430756547 /nfs/dbraw/zinc/75/65/47/1430756547.db2.gz USQOHCNRHMXLNS-UHFFFAOYSA-N 1 0 391.475 3.045 20 30 GGEDRO C=CCNc1ncc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)s1 ZINC000183838530 1430803263 /nfs/dbraw/zinc/80/32/63/1430803263.db2.gz GRMVGHFHGMQZKC-UHFFFAOYSA-N 1 0 387.509 3.192 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000183891041 1430809365 /nfs/dbraw/zinc/80/93/65/1430809365.db2.gz QSJGKAZRZJYIDT-KRWDZBQOSA-N 1 0 394.441 3.421 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000183950832 1430817412 /nfs/dbraw/zinc/81/74/12/1430817412.db2.gz KIZRTNORCXZIEO-JOCHJYFZSA-N 1 0 379.504 3.337 20 30 GGEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000184324034 1430873241 /nfs/dbraw/zinc/87/32/41/1430873241.db2.gz NOXDEKDITAALFN-SJORKVTESA-N 1 0 389.569 3.228 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1C[S@](C)=O)C(C)C ZINC000184342438 1430875435 /nfs/dbraw/zinc/87/54/35/1430875435.db2.gz UONNWRQGTWPVGO-BCHFMIIMSA-N 1 0 377.554 3.385 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[S@](C)=O ZINC000184370263 1430879461 /nfs/dbraw/zinc/87/94/61/1430879461.db2.gz AGWIATHMMCVDID-NDEPHWFRSA-N 1 0 398.532 3.032 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)CC1 ZINC000184398194 1430882862 /nfs/dbraw/zinc/88/28/62/1430882862.db2.gz ZHPYQRASGPJPDG-UHFFFAOYSA-N 1 0 382.512 3.337 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000184419072 1430885706 /nfs/dbraw/zinc/88/57/06/1430885706.db2.gz FVFABAVMRKVOSA-FQEVSTJZSA-N 1 0 393.487 3.434 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000184604482 1430916841 /nfs/dbraw/zinc/91/68/41/1430916841.db2.gz UYJSSSIBRNTBGG-UHFFFAOYSA-N 1 0 388.512 3.360 20 30 GGEDRO CSCC[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1nnc2ccccn21 ZINC000184607667 1430917783 /nfs/dbraw/zinc/91/77/83/1430917783.db2.gz NOACNGQVVBHQRS-GOSISDBHSA-N 1 0 381.505 3.454 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000184606921 1430918034 /nfs/dbraw/zinc/91/80/34/1430918034.db2.gz VBANGEYLTQLXQI-MRXNPFEDSA-N 1 0 388.512 3.215 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000184614031 1430919613 /nfs/dbraw/zinc/91/96/13/1430919613.db2.gz AZJCVCGNRVJUTI-LJQANCHMSA-N 1 0 382.464 3.008 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000184623325 1430922547 /nfs/dbraw/zinc/92/25/47/1430922547.db2.gz VUXDLXYDMGZSTC-KRWDZBQOSA-N 1 0 388.512 3.217 20 30 GGEDRO CCO[C@@H]1C[C@@H](NC(=[NH2+])Nc2ccccc2OC(F)(F)F)C12CCOCC2 ZINC000184644963 1430928324 /nfs/dbraw/zinc/92/83/24/1430928324.db2.gz JIJCJDFEYOKOEF-HUUCEWRRSA-N 1 0 387.402 3.286 20 30 GGEDRO C#Cc1cccc(NC(=O)CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184677563 1430940343 /nfs/dbraw/zinc/94/03/43/1430940343.db2.gz DNILPOURCJDKKV-UHFFFAOYSA-N 1 0 389.499 3.025 20 30 GGEDRO COC(=O)[C@@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000184714876 1430950525 /nfs/dbraw/zinc/95/05/25/1430950525.db2.gz MPGDAMFEXGIOAR-VXKWHMMOSA-N 1 0 377.488 3.273 20 30 GGEDRO COC(=O)[C@@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000184714899 1430950907 /nfs/dbraw/zinc/95/09/07/1430950907.db2.gz MPGDAMFEXGIOAR-YADHBBJMSA-N 1 0 377.488 3.273 20 30 GGEDRO Cc1oc(NC(=O)CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000184743478 1430962381 /nfs/dbraw/zinc/96/23/81/1430962381.db2.gz HZYXYVIEEFKGTJ-HOTGVXAUSA-N 1 0 394.519 3.453 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1sccc1C#N ZINC000184750198 1430965624 /nfs/dbraw/zinc/96/56/24/1430965624.db2.gz GFCCISTXLAOYBA-HOTGVXAUSA-N 1 0 382.533 3.304 20 30 GGEDRO CC(C)c1cccc(NC(=[NH2+])NCc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000184875622 1431009868 /nfs/dbraw/zinc/00/98/68/1431009868.db2.gz IYOWSMIWMLTVDC-UHFFFAOYSA-N 1 0 386.521 3.277 20 30 GGEDRO CC[NH+]1CCN(c2cccc(NC(=O)N(CCC#N)Cc3ccccn3)c2)CC1 ZINC000184921646 1431021788 /nfs/dbraw/zinc/02/17/88/1431021788.db2.gz SAUZIOCXXCURIH-UHFFFAOYSA-N 1 0 392.507 3.171 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1cccc(OCC#N)c1)C1CC1 ZINC000185301522 1431105526 /nfs/dbraw/zinc/10/55/26/1431105526.db2.gz SDCQYLDXKSNXOG-JOCHJYFZSA-N 1 0 377.488 3.158 20 30 GGEDRO N#Cc1cc(Cl)ccc1CON=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000185367479 1431127413 /nfs/dbraw/zinc/12/74/13/1431127413.db2.gz LCIQLZDMFXUBSW-UHFFFAOYSA-N 1 0 398.894 3.005 20 30 GGEDRO C=CCN1CCC([NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000185383448 1431132349 /nfs/dbraw/zinc/13/23/49/1431132349.db2.gz FHBVYXUJJQMVNT-LEWJYISDSA-N 1 0 376.566 3.320 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185412771 1431139706 /nfs/dbraw/zinc/13/97/06/1431139706.db2.gz YUHOCNBFKKEBCC-OAQYLSRUSA-N 1 0 380.423 3.197 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185416388 1431140476 /nfs/dbraw/zinc/14/04/76/1431140476.db2.gz CIWBBQNVISIBHO-FYYLOGMGSA-N 1 0 395.478 3.407 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185416354 1431140513 /nfs/dbraw/zinc/14/05/13/1431140513.db2.gz CIWBBQNVISIBHO-JTHBVZDNSA-N 1 0 395.478 3.407 20 30 GGEDRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)c2ccc(F)cc2)cn1 ZINC000185447884 1431147713 /nfs/dbraw/zinc/14/77/13/1431147713.db2.gz HWNCYTSMSMCDLK-OAQYLSRUSA-N 1 0 377.423 3.139 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000185475472 1431153277 /nfs/dbraw/zinc/15/32/77/1431153277.db2.gz KNGKOPSPZYDWFG-UZLBHIALSA-N 1 0 393.478 3.336 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)c(OC)c1 ZINC000185506257 1431160441 /nfs/dbraw/zinc/16/04/41/1431160441.db2.gz CKUBRSKNFCUFQY-OAQYLSRUSA-N 1 0 397.515 3.147 20 30 GGEDRO CC[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000185605809 1431181988 /nfs/dbraw/zinc/18/19/88/1431181988.db2.gz HGSFVIJHUIPCPL-OAQYLSRUSA-N 1 0 392.503 3.395 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000185640274 1431192225 /nfs/dbraw/zinc/19/22/25/1431192225.db2.gz MVDSIYPFYXZGSB-MLGOLLRUSA-N 1 0 396.413 3.024 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000185647973 1431195104 /nfs/dbraw/zinc/19/51/04/1431195104.db2.gz QFHIRDRCGPOECA-LLVKDONJSA-N 1 0 379.386 3.223 20 30 GGEDRO C=C(C)[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000185779490 1431233612 /nfs/dbraw/zinc/23/36/12/1431233612.db2.gz BOMADIBOMGDZGS-IBGZPJMESA-N 1 0 387.430 3.399 20 30 GGEDRO C=C(C)[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000185829247 1431245566 /nfs/dbraw/zinc/24/55/66/1431245566.db2.gz DQMUFRASZWPDAO-LPHOPBHVSA-N 1 0 381.467 3.334 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000185843615 1431249210 /nfs/dbraw/zinc/24/92/10/1431249210.db2.gz KJQLJHYDLKVFGY-FQEVSTJZSA-N 1 0 393.478 3.336 20 30 GGEDRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000185843727 1431249579 /nfs/dbraw/zinc/24/95/79/1431249579.db2.gz ZTTXOADCDLPXEF-RDJZCZTQSA-N 1 0 385.489 3.449 20 30 GGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000185870201 1431257886 /nfs/dbraw/zinc/25/78/86/1431257886.db2.gz XDINFBWCTCLGAN-QWHCGFSZSA-N 1 0 376.400 3.031 20 30 GGEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000185913485 1431276130 /nfs/dbraw/zinc/27/61/30/1431276130.db2.gz SLNFCVGQORNTDE-UHFFFAOYSA-N 1 0 393.553 3.090 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1Cl ZINC000186001862 1431309076 /nfs/dbraw/zinc/30/90/76/1431309076.db2.gz YMBYEIMBVXZXKR-UHFFFAOYSA-N 1 0 387.789 3.384 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(F)c2C#N)cc1 ZINC000186011509 1431311184 /nfs/dbraw/zinc/31/11/84/1431311184.db2.gz GIMOXZVFLHALFT-UHFFFAOYSA-N 1 0 382.439 3.021 20 30 GGEDRO Cc1ccc(NC(=O)c2ccccc2OCC#N)cc1NC(=O)CC[NH+](C)C ZINC000186240505 1431359771 /nfs/dbraw/zinc/35/97/71/1431359771.db2.gz UTXYTNSBNLUBBD-UHFFFAOYSA-N 1 0 380.448 3.040 20 30 GGEDRO Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186263035 1431365889 /nfs/dbraw/zinc/36/58/89/1431365889.db2.gz ZNHWNYSPHNQYCV-UHFFFAOYSA-N 1 0 396.516 3.488 20 30 GGEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000186274524 1431369131 /nfs/dbraw/zinc/36/91/31/1431369131.db2.gz LUISPNUOVVSTFM-QGZVFWFLSA-N 1 0 386.492 3.410 20 30 GGEDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3C)CC2)nc1 ZINC000186279880 1431370297 /nfs/dbraw/zinc/37/02/97/1431370297.db2.gz HUJFNQFRZFGNMW-UHFFFAOYSA-N 1 0 378.476 3.151 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCC(O)(c4cccnc4)CC3)CC2)cc1 ZINC000186342483 1431387498 /nfs/dbraw/zinc/38/74/98/1431387498.db2.gz MMKNREFFIUZDRD-UHFFFAOYSA-N 1 0 390.531 3.338 20 30 GGEDRO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000186478725 1431430795 /nfs/dbraw/zinc/43/07/95/1431430795.db2.gz UMIPYVUUZDVVSS-UZUQRXQVSA-N 1 0 392.503 3.475 20 30 GGEDRO COc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1OCCCC#N ZINC000186497743 1431437158 /nfs/dbraw/zinc/43/71/58/1431437158.db2.gz WKGCAGNLFYLDKH-UHFFFAOYSA-N 1 0 376.522 3.476 20 30 GGEDRO C=CCC[C@@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000186498871 1431438003 /nfs/dbraw/zinc/43/80/03/1431438003.db2.gz LUHDXZWTKKFHEA-DHIUTWEWSA-N 1 0 378.516 3.272 20 30 GGEDRO C=CCOc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000186605944 1431466771 /nfs/dbraw/zinc/46/67/71/1431466771.db2.gz DPGKYNDNMAHSRD-FQEVSTJZSA-N 1 0 395.503 3.440 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c(Cl)c1 ZINC000186638089 1431476982 /nfs/dbraw/zinc/47/69/82/1431476982.db2.gz NBZUQPLXCRINFP-MRXNPFEDSA-N 1 0 387.892 3.385 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000186680865 1431490616 /nfs/dbraw/zinc/49/06/16/1431490616.db2.gz GFDFJRIQSSENKM-KBXCAEBGSA-N 1 0 381.467 3.069 20 30 GGEDRO Cc1csc([C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000186798818 1431519309 /nfs/dbraw/zinc/51/93/09/1431519309.db2.gz JLNCXUYXCAFAJZ-HNNXBMFYSA-N 1 0 385.537 3.200 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186944261 1431573339 /nfs/dbraw/zinc/57/33/39/1431573339.db2.gz OGUQTTTUBGRHRJ-UHFFFAOYSA-N 1 0 381.451 3.096 20 30 GGEDRO COc1ccc(CNC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccccc2)cc1 ZINC000186952439 1431575468 /nfs/dbraw/zinc/57/54/68/1431575468.db2.gz BXIKPFAEEYTEKT-UHFFFAOYSA-O 1 0 396.492 3.316 20 30 GGEDRO CCC(C)(C)NC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(N(C)C)cc1 ZINC000186978287 1431581414 /nfs/dbraw/zinc/58/14/14/1431581414.db2.gz UZRJMDUOQXUBDM-UHFFFAOYSA-O 1 0 389.545 3.362 20 30 GGEDRO Cn1nc(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000187037193 1431597067 /nfs/dbraw/zinc/59/70/67/1431597067.db2.gz JCUMXBCXBIILHT-UHFFFAOYSA-N 1 0 377.370 3.441 20 30 GGEDRO Cn1nc(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c2ccccc21 ZINC000187037862 1431597096 /nfs/dbraw/zinc/59/70/96/1431597096.db2.gz GQSYSHBEUOPPKQ-UHFFFAOYSA-N 1 0 377.370 3.441 20 30 GGEDRO CC(C)(O)c1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000187044605 1431598701 /nfs/dbraw/zinc/59/87/01/1431598701.db2.gz NDIVPEWGENGXTK-UHFFFAOYSA-N 1 0 381.398 3.417 20 30 GGEDRO CS(=O)(=O)CCCCCNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000187054588 1431600870 /nfs/dbraw/zinc/60/08/70/1431600870.db2.gz QWEQAYUQRRHLHE-UHFFFAOYSA-N 1 0 375.494 3.420 20 30 GGEDRO COc1cc(/C=C/C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1OCC#N ZINC000187236968 1431660393 /nfs/dbraw/zinc/66/03/93/1431660393.db2.gz VNWPDWJPTSUWEW-HDHMNOCFSA-N 1 0 393.487 3.418 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC1(O)CCCCCC1 ZINC000187333507 1431699924 /nfs/dbraw/zinc/69/99/24/1431699924.db2.gz OJIYMVLCMOBUSS-GOSISDBHSA-N 1 0 387.524 3.347 20 30 GGEDRO CN1c2ccc(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)cc2CCC1=O ZINC000187349846 1431705373 /nfs/dbraw/zinc/70/53/73/1431705373.db2.gz YRPYUTXCPPYNCC-UHFFFAOYSA-N 1 0 390.487 3.342 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2Cl)CC1 ZINC000187389893 1431716774 /nfs/dbraw/zinc/71/67/74/1431716774.db2.gz OQARWIOCDWFUTC-UHFFFAOYSA-N 1 0 393.915 3.222 20 30 GGEDRO C=C(C)[C@@H](NC(=O)NCCCC[NH+]1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000187523351 1431755985 /nfs/dbraw/zinc/75/59/85/1431755985.db2.gz VFEHCJNASBFDKX-HXUWFJFHSA-N 1 0 394.510 3.299 20 30 GGEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c1 ZINC000187559370 1431766754 /nfs/dbraw/zinc/76/67/54/1431766754.db2.gz IFKWYRCMZUOKDO-UHFFFAOYSA-N 1 0 390.480 3.220 20 30 GGEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187771324 1431810478 /nfs/dbraw/zinc/81/04/78/1431810478.db2.gz HDRSVFXZUMKUJG-RBUKOAKNSA-N 1 0 381.444 3.309 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187818975 1431816158 /nfs/dbraw/zinc/81/61/58/1431816158.db2.gz INSVGQDAESTUOR-UHFFFAOYSA-N 1 0 397.523 3.075 20 30 GGEDRO C[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000187925809 1431828129 /nfs/dbraw/zinc/82/81/29/1431828129.db2.gz KREBYGXKEHKJRY-MSOLQXFVSA-N 1 0 398.551 3.478 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000188042359 1431839082 /nfs/dbraw/zinc/83/90/82/1431839082.db2.gz YHONAWQDEZVYAC-INIZCTEOSA-N 1 0 396.457 3.234 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000188042331 1431839173 /nfs/dbraw/zinc/83/91/73/1431839173.db2.gz YHONAWQDEZVYAC-MRXNPFEDSA-N 1 0 396.457 3.234 20 30 GGEDRO C#CCOc1ccccc1NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000188066185 1431841641 /nfs/dbraw/zinc/84/16/41/1431841641.db2.gz LPOKKNMRMRXDQC-QZTJIDSGSA-N 1 0 385.508 3.052 20 30 GGEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3cccc(F)c3C#N)cc2)CC1 ZINC000188142825 1431852536 /nfs/dbraw/zinc/85/25/36/1431852536.db2.gz QEQPTIXTKXADOR-UHFFFAOYSA-N 1 0 395.438 3.165 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cccc(F)c3C#N)CC2)c1 ZINC000188212285 1431861100 /nfs/dbraw/zinc/86/11/00/1431861100.db2.gz OASIAIRBMFYMJC-UHFFFAOYSA-N 1 0 394.494 3.338 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cccc(F)c1C#N)c1ccccc1O2 ZINC000188222311 1431862713 /nfs/dbraw/zinc/86/27/13/1431862713.db2.gz MESQLVOGULLRLR-IBGZPJMESA-N 1 0 379.435 3.415 20 30 GGEDRO CN(C(=O)c1ccc(NC(=O)c2cccc(F)c2C#N)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000188244088 1431865134 /nfs/dbraw/zinc/86/51/34/1431865134.db2.gz YBSQACSIKXXMJE-QGZVFWFLSA-N 1 0 394.450 3.116 20 30 GGEDRO CN(C(=O)c1ccc(NC(=O)c2cccc(F)c2C#N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000188244056 1431865148 /nfs/dbraw/zinc/86/51/48/1431865148.db2.gz YBSQACSIKXXMJE-KRWDZBQOSA-N 1 0 394.450 3.116 20 30 GGEDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000188263373 1431866862 /nfs/dbraw/zinc/86/68/62/1431866862.db2.gz HVEHLATVZBBKAK-UHFFFAOYSA-N 1 0 389.443 3.074 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188346435 1431875697 /nfs/dbraw/zinc/87/56/97/1431875697.db2.gz ZSSBDEUJVRSVKN-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO C=CCC[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000188362184 1431877031 /nfs/dbraw/zinc/87/70/31/1431877031.db2.gz HLKSTVWBWFVTNG-NRFANRHFSA-N 1 0 378.520 3.200 20 30 GGEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000188387139 1431879881 /nfs/dbraw/zinc/87/98/81/1431879881.db2.gz AQTCPWVSHAHJNH-OAQYLSRUSA-N 1 0 398.894 3.312 20 30 GGEDRO N#Cc1c(F)cccc1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000188429222 1431883575 /nfs/dbraw/zinc/88/35/75/1431883575.db2.gz BWCDCWGROBBHQV-UHFFFAOYSA-N 1 0 380.467 3.030 20 30 GGEDRO C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000188431920 1431883745 /nfs/dbraw/zinc/88/37/45/1431883745.db2.gz NAHURIOCZLKQEL-JTSKRJEESA-N 1 0 391.531 3.374 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CC3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000188518686 1431891254 /nfs/dbraw/zinc/89/12/54/1431891254.db2.gz OKPMESHYNBIBGM-UHFFFAOYSA-N 1 0 394.485 3.387 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000188692796 1431935546 /nfs/dbraw/zinc/93/55/46/1431935546.db2.gz KIAFKGHWHCTZHA-UHFFFAOYSA-N 1 0 393.491 3.334 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ncccc1OCCCC#N ZINC000188710170 1431941569 /nfs/dbraw/zinc/94/15/69/1431941569.db2.gz HAODIHILVGSCPX-UHFFFAOYSA-N 1 0 399.470 3.499 20 30 GGEDRO C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@H+](C)Cc1ccccc1 ZINC000188720868 1431945300 /nfs/dbraw/zinc/94/53/00/1431945300.db2.gz DPLGMXFTTBDNPK-QGZVFWFLSA-N 1 0 381.480 3.406 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000188730823 1431948337 /nfs/dbraw/zinc/94/83/37/1431948337.db2.gz BYMXVTOKEYUDGG-MJGOQNOKSA-N 1 0 393.491 3.406 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000188764514 1431965681 /nfs/dbraw/zinc/96/56/81/1431965681.db2.gz SOYDQHDSJZXIAO-MRXNPFEDSA-N 1 0 383.452 3.316 20 30 GGEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188857212 1431999935 /nfs/dbraw/zinc/99/99/35/1431999935.db2.gz OEXZNWFGEYWLNG-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000188927740 1432010453 /nfs/dbraw/zinc/01/04/53/1432010453.db2.gz LFWMZSLXOHNUCJ-OAQYLSRUSA-N 1 0 388.512 3.070 20 30 GGEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000188927717 1432010654 /nfs/dbraw/zinc/01/06/54/1432010654.db2.gz LFWMZSLXOHNUCJ-NRFANRHFSA-N 1 0 388.512 3.070 20 30 GGEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000189029023 1432029736 /nfs/dbraw/zinc/02/97/36/1432029736.db2.gz AEHSIZXJFMRZDL-UGKGYDQZSA-N 1 0 387.524 3.020 20 30 GGEDRO COc1ccc(C[NH2+]CCN2CCc3ccccc3C2=O)cc1OCCCC#N ZINC000189043428 1432033580 /nfs/dbraw/zinc/03/35/80/1432033580.db2.gz XCGUIWIWAZXRGH-UHFFFAOYSA-N 1 0 393.487 3.166 20 30 GGEDRO C=CCC[C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000189123963 1432048725 /nfs/dbraw/zinc/04/87/25/1432048725.db2.gz QYGUVIGAILQXNZ-OAQYLSRUSA-N 1 0 378.520 3.200 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c(OC)c1 ZINC000189169913 1432057035 /nfs/dbraw/zinc/05/70/35/1432057035.db2.gz KEFPOHYVEDGHSD-UXHICEINSA-N 1 0 375.509 3.054 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c(OC)c1 ZINC000189169933 1432057132 /nfs/dbraw/zinc/05/71/32/1432057132.db2.gz KEFPOHYVEDGHSD-PMACEKPBSA-N 1 0 375.509 3.054 20 30 GGEDRO N#Cc1c(F)cccc1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000189203029 1432062436 /nfs/dbraw/zinc/06/24/36/1432062436.db2.gz LOLNRIBFZJUMOI-UHFFFAOYSA-N 1 0 395.478 3.498 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(C#N)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000189220014 1432065105 /nfs/dbraw/zinc/06/51/05/1432065105.db2.gz VCMWGABMAIIDNP-MRXNPFEDSA-N 1 0 377.366 3.315 20 30 GGEDRO NC(=NOCCOCC(F)(F)C(F)F)c1ccccc1C[NH+]1CCCCC1 ZINC000189260507 1432073599 /nfs/dbraw/zinc/07/35/99/1432073599.db2.gz PGJXUDWLTPKNLL-UHFFFAOYSA-N 1 0 391.409 3.226 20 30 GGEDRO NC(=[NH+]OCCOCC(F)(F)C(F)F)c1ccc(N2CCCCC2)cc1 ZINC000189308797 1432083185 /nfs/dbraw/zinc/08/31/85/1432083185.db2.gz LPAVPYYGLCRDQE-UHFFFAOYSA-N 1 0 377.382 3.231 20 30 GGEDRO C=CCc1cc(C[NH2+][C@@H](C)C2CCN(C(=O)OCC)CC2)cc(OC)c1O ZINC000189365441 1432093859 /nfs/dbraw/zinc/09/38/59/1432093859.db2.gz PZGRWEZHFCFYJN-HNNXBMFYSA-N 1 0 376.497 3.476 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000189394846 1432098260 /nfs/dbraw/zinc/09/82/60/1432098260.db2.gz BKJPZWAARLNUKZ-IBGZPJMESA-N 1 0 385.508 3.057 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H](O)C(F)(F)F ZINC000189432355 1432108687 /nfs/dbraw/zinc/10/86/87/1432108687.db2.gz DXIMJDRNFXDTQK-CQSZACIVSA-N 1 0 389.443 3.072 20 30 GGEDRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000189683844 1432202606 /nfs/dbraw/zinc/20/26/06/1432202606.db2.gz ZEQSWTIYNHCODJ-QHCPKHFHSA-N 1 0 394.519 3.200 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](CC(C)(C)O)C2CC2)c1C#N ZINC000189895747 1432266344 /nfs/dbraw/zinc/26/63/44/1432266344.db2.gz XLKKNQMJQQJIDW-UHFFFAOYSA-N 1 0 398.482 3.279 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CC(C)(C)O)C2CC2)c1C#N ZINC000189900932 1432267314 /nfs/dbraw/zinc/26/73/14/1432267314.db2.gz ZZCDFOWKUPLSCT-UHFFFAOYSA-N 1 0 380.492 3.140 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000189918626 1432273549 /nfs/dbraw/zinc/27/35/49/1432273549.db2.gz XKRYOBRSUOAFKT-UHFFFAOYSA-N 1 0 376.460 3.082 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000190041461 1432309647 /nfs/dbraw/zinc/30/96/47/1432309647.db2.gz UVIJPORHXXGCLO-JOCHJYFZSA-N 1 0 389.499 3.418 20 30 GGEDRO CCCN(CCC[NH+](C)C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000190108046 1432321235 /nfs/dbraw/zinc/32/12/35/1432321235.db2.gz KFDVBBQVJYLSOI-UHFFFAOYSA-N 1 0 387.528 3.017 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000190187418 1432336515 /nfs/dbraw/zinc/33/65/15/1432336515.db2.gz WPIFLWIIDMZRFO-HOTGVXAUSA-N 1 0 390.553 3.390 20 30 GGEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000190604313 1432417396 /nfs/dbraw/zinc/41/73/96/1432417396.db2.gz SVYSPSBGUXIFOK-UXHICEINSA-N 1 0 378.432 3.308 20 30 GGEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000190604343 1432417837 /nfs/dbraw/zinc/41/78/37/1432417837.db2.gz UFMFTRNMFHOAAC-OXJNMPFZSA-N 1 0 393.487 3.336 20 30 GGEDRO C[C@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)C1 ZINC000190604793 1432418047 /nfs/dbraw/zinc/41/80/47/1432418047.db2.gz DVWZQMXDBGCHRU-OFAXGOBFSA-N 1 0 394.563 3.292 20 30 GGEDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1C(C)(C)C ZINC000190605815 1432418461 /nfs/dbraw/zinc/41/84/61/1432418461.db2.gz NAVPOAMBJIYMGY-YWZLYKJASA-N 1 0 379.508 3.270 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000190613691 1432420571 /nfs/dbraw/zinc/42/05/71/1432420571.db2.gz UMJBVIJIUKDVSZ-VGOFRKELSA-N 1 0 385.471 3.196 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000190613709 1432420754 /nfs/dbraw/zinc/42/07/54/1432420754.db2.gz UMJBVIJIUKDVSZ-JTSKRJEESA-N 1 0 385.471 3.196 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000190619016 1432422755 /nfs/dbraw/zinc/42/27/55/1432422755.db2.gz STRKJBPLIMLEJV-JPYJTQIMSA-N 1 0 399.498 3.255 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000190624071 1432423757 /nfs/dbraw/zinc/42/37/57/1432423757.db2.gz QTZASSGWLRCTPK-OXQOHEQNSA-N 1 0 391.471 3.171 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000190624046 1432423933 /nfs/dbraw/zinc/42/39/33/1432423933.db2.gz QTZASSGWLRCTPK-OXJNMPFZSA-N 1 0 391.471 3.171 20 30 GGEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000190630315 1432426225 /nfs/dbraw/zinc/42/62/25/1432426225.db2.gz AEXLQYXBSSKRCC-BEFAXECRSA-N 1 0 378.432 3.227 20 30 GGEDRO CC1(C)OCc2cc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2O1 ZINC000190837943 1432501355 /nfs/dbraw/zinc/50/13/55/1432501355.db2.gz KFTZJWMDQGPPQA-HXUWFJFHSA-N 1 0 391.471 3.094 20 30 GGEDRO N#CCc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000190844314 1432504415 /nfs/dbraw/zinc/50/44/15/1432504415.db2.gz BHWTXVIVXVTFPG-OAQYLSRUSA-N 1 0 378.476 3.165 20 30 GGEDRO Cn1cc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1C#N ZINC000190915356 1432528652 /nfs/dbraw/zinc/52/86/52/1432528652.db2.gz DCCUOFXEFRUBAK-IBGZPJMESA-N 1 0 392.425 3.079 20 30 GGEDRO Cn1cc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1C#N ZINC000190949121 1432535895 /nfs/dbraw/zinc/53/58/95/1432535895.db2.gz FFPCYPCJNOSHKO-HXUWFJFHSA-N 1 0 386.927 3.492 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000191253689 1432607103 /nfs/dbraw/zinc/60/71/03/1432607103.db2.gz FXSALLFJYPXFSQ-DYESRHJHSA-N 1 0 395.503 3.388 20 30 GGEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H](C)[C@@H]1OC ZINC000191395133 1432651481 /nfs/dbraw/zinc/65/14/81/1432651481.db2.gz ATWYATSQDWVEGD-BEVDRBHNSA-N 1 0 395.507 3.112 20 30 GGEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H](C)[C@@H]1OC ZINC000191395163 1432651702 /nfs/dbraw/zinc/65/17/02/1432651702.db2.gz ATWYATSQDWVEGD-YSGRDPCXSA-N 1 0 395.507 3.112 20 30 GGEDRO N#CC(CC[NH+]1CCN(c2cnccn2)CC1)(c1ccccc1)c1ccccc1 ZINC000191461789 1432665946 /nfs/dbraw/zinc/66/59/46/1432665946.db2.gz ZKSQXBHJDKBBEE-UHFFFAOYSA-N 1 0 383.499 3.499 20 30 GGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccnn3CC)C2=O)cc1Cl ZINC000191644129 1432699194 /nfs/dbraw/zinc/69/91/94/1432699194.db2.gz YIJFMWLLTFCCIW-QGZVFWFLSA-N 1 0 388.899 3.406 20 30 GGEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(c3ccnn3CC)C2=O)cc1Cl ZINC000191644113 1432699215 /nfs/dbraw/zinc/69/92/15/1432699215.db2.gz YIJFMWLLTFCCIW-KRWDZBQOSA-N 1 0 388.899 3.406 20 30 GGEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc(OC)c1O ZINC000191799707 1432727998 /nfs/dbraw/zinc/72/79/98/1432727998.db2.gz BYHOMJDNAZGZNV-HXUWFJFHSA-N 1 0 380.488 3.328 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000191854552 1432740224 /nfs/dbraw/zinc/74/02/24/1432740224.db2.gz FCNQBKRMCOFQNV-VQIMIIECSA-N 1 0 396.453 3.310 20 30 GGEDRO N#Cc1cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000191887996 1432747491 /nfs/dbraw/zinc/74/74/91/1432747491.db2.gz IESVGKRHLGGQFS-IBGZPJMESA-N 1 0 382.439 3.110 20 30 GGEDRO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(C#N)c(F)c1 ZINC000191916485 1432755325 /nfs/dbraw/zinc/75/53/25/1432755325.db2.gz GQPMSQFCKCLAGL-LJQANCHMSA-N 1 0 398.434 3.377 20 30 GGEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000191934578 1432759932 /nfs/dbraw/zinc/75/99/32/1432759932.db2.gz CROFZYOSUKNJSY-UHFFFAOYSA-N 1 0 383.536 3.468 20 30 GGEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)CSc2ccc(C#N)cc2)c1 ZINC000191953159 1432765585 /nfs/dbraw/zinc/76/55/85/1432765585.db2.gz DFEGMLCYABTYHR-UHFFFAOYSA-N 1 0 383.517 3.249 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(O)c1 ZINC000191966381 1432770210 /nfs/dbraw/zinc/77/02/10/1432770210.db2.gz WYLUBEGICHKEJA-XAOCGEIJSA-N 1 0 390.487 3.330 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000192029720 1432782191 /nfs/dbraw/zinc/78/21/91/1432782191.db2.gz FXAJTPILRVCBQD-OALUTQOASA-N 1 0 390.892 3.105 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000192029714 1432782244 /nfs/dbraw/zinc/78/22/44/1432782244.db2.gz FXAJTPILRVCBQD-MOPGFXCFSA-N 1 0 390.892 3.105 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000192051063 1432787656 /nfs/dbraw/zinc/78/76/56/1432787656.db2.gz IOELCSHAKOKMCV-JCGIZDLHSA-N 1 0 375.900 3.491 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCCCC1 ZINC000192086520 1432795740 /nfs/dbraw/zinc/79/57/40/1432795740.db2.gz TYNUSBOZYMKBMF-WMZOPIPTSA-N 1 0 379.863 3.241 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192125742 1432802147 /nfs/dbraw/zinc/80/21/47/1432802147.db2.gz PGTCDBZXWZOBLR-FUHWJXTLSA-N 1 0 375.375 3.105 20 30 GGEDRO C=CCOc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192221681 1432818921 /nfs/dbraw/zinc/81/89/21/1432818921.db2.gz MKKBYCZFUQITPD-QFIPXVFZSA-N 1 0 380.488 3.272 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000192243444 1432821685 /nfs/dbraw/zinc/82/16/85/1432821685.db2.gz ZIGNYBJBHOHRAR-SFHVURJKSA-N 1 0 389.377 3.348 20 30 GGEDRO COc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000192243928 1432821744 /nfs/dbraw/zinc/82/17/44/1432821744.db2.gz RPXHEISGPMWENC-FQEVSTJZSA-N 1 0 393.487 3.245 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000192243797 1432821811 /nfs/dbraw/zinc/82/18/11/1432821811.db2.gz PLDNIMQUNCHGHQ-QFIPXVFZSA-N 1 0 388.471 3.132 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000192276876 1432826239 /nfs/dbraw/zinc/82/62/39/1432826239.db2.gz QITJYQKVTHZHQE-UHFFFAOYSA-N 1 0 399.466 3.442 20 30 GGEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192360887 1432837024 /nfs/dbraw/zinc/83/70/24/1432837024.db2.gz XGKMLGNXLWFFFZ-IBGZPJMESA-N 1 0 387.443 3.055 20 30 GGEDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C[C@H]2C1 ZINC000192483623 1432849949 /nfs/dbraw/zinc/84/99/49/1432849949.db2.gz FVCFDPOLJVSQGE-KDURUIRLSA-N 1 0 377.513 3.484 20 30 GGEDRO CSc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000192490838 1432850602 /nfs/dbraw/zinc/85/06/02/1432850602.db2.gz VPULHBXXFABBTK-UHFFFAOYSA-N 1 0 398.488 3.392 20 30 GGEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192577908 1432862485 /nfs/dbraw/zinc/86/24/85/1432862485.db2.gz NJDVWDGEVYAUES-UHFFFAOYSA-N 1 0 387.405 3.233 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)C2=O)cc1 ZINC000192621616 1432867401 /nfs/dbraw/zinc/86/74/01/1432867401.db2.gz SAOTVLPCRFALKP-AQNXPRMDSA-N 1 0 379.460 3.235 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)C2=O)cc1 ZINC000192621602 1432867435 /nfs/dbraw/zinc/86/74/35/1432867435.db2.gz SAOTVLPCRFALKP-VAMGGRTRSA-N 1 0 379.460 3.235 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3(c4ccc(F)cc4)CCOCC3)C2=O)cc1 ZINC000192667931 1432873263 /nfs/dbraw/zinc/87/32/63/1432873263.db2.gz VYZVKMXMMPZAJU-NRFANRHFSA-N 1 0 393.462 3.488 20 30 GGEDRO CCC(CC)(C[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000192699989 1432876928 /nfs/dbraw/zinc/87/69/28/1432876928.db2.gz JZCTXAJHKWDVDM-LBPRGKRZSA-N 1 0 377.510 3.004 20 30 GGEDRO C[C@@H](O)C[N@@H+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000192813689 1432893856 /nfs/dbraw/zinc/89/38/56/1432893856.db2.gz FRHAKYGQNYPOFH-NHCUHLMSSA-N 1 0 377.532 3.273 20 30 GGEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192980370 1432916224 /nfs/dbraw/zinc/91/62/24/1432916224.db2.gz UXMNUDWYAKPMAP-KRWDZBQOSA-N 1 0 389.908 3.012 20 30 GGEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192980183 1432916244 /nfs/dbraw/zinc/91/62/44/1432916244.db2.gz UGZIGGNXYGLFGX-MRXNPFEDSA-N 1 0 389.908 3.012 20 30 GGEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192980198 1432916265 /nfs/dbraw/zinc/91/62/65/1432916265.db2.gz UGZIGGNXYGLFGX-INIZCTEOSA-N 1 0 389.908 3.012 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2cccc(N3CCCC3=O)c2)C(=S)NC(C)C)cc1 ZINC000192983153 1432916829 /nfs/dbraw/zinc/91/68/29/1432916829.db2.gz XFSWVCPKYBWVBC-UHFFFAOYSA-O 1 0 396.536 3.346 20 30 GGEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192984227 1432917231 /nfs/dbraw/zinc/91/72/31/1432917231.db2.gz MXMVYDIWBQQPMJ-INIZCTEOSA-N 1 0 389.908 3.012 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000192985243 1432917568 /nfs/dbraw/zinc/91/75/68/1432917568.db2.gz NJWPLWBXLOEQIC-QGZVFWFLSA-N 1 0 389.908 3.012 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000193038453 1432925725 /nfs/dbraw/zinc/92/57/25/1432925725.db2.gz NZHWQDGFISOKLD-UHFFFAOYSA-N 1 0 397.445 3.264 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1OC ZINC000193103715 1432936514 /nfs/dbraw/zinc/93/65/14/1432936514.db2.gz YYCZEUABMDZXHK-LJQANCHMSA-N 1 0 396.491 3.020 20 30 GGEDRO N#CC(CC[NH2+][C@@H](CC(N)=O)C1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000193117956 1432938835 /nfs/dbraw/zinc/93/88/35/1432938835.db2.gz SKMDGSUUGDKQDM-QFIPXVFZSA-N 1 0 391.515 3.147 20 30 GGEDRO Cc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)[nH]n2)o1 ZINC000193233151 1432964193 /nfs/dbraw/zinc/96/41/93/1432964193.db2.gz UBYYIVZPCGVQSN-UHFFFAOYSA-N 1 0 377.448 3.054 20 30 GGEDRO CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC000193334794 1432981444 /nfs/dbraw/zinc/98/14/44/1432981444.db2.gz MZLUSYGOAZSQFT-KDURUIRLSA-N 1 0 384.524 3.335 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000193354918 1432984899 /nfs/dbraw/zinc/98/48/99/1432984899.db2.gz HWNJDPYGOLTKBE-LEWJYISDSA-N 1 0 390.443 3.235 20 30 GGEDRO Cc1c(Cl)cccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000193573374 1433022021 /nfs/dbraw/zinc/02/20/21/1433022021.db2.gz PJPALLAZWRGEEJ-UHFFFAOYSA-N 1 0 398.894 3.049 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000193607075 1433027916 /nfs/dbraw/zinc/02/79/16/1433027916.db2.gz UBPSQQAVQDEDRP-UHFFFAOYSA-N 1 0 384.524 3.498 20 30 GGEDRO C[NH+]1CCN(Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)CC1 ZINC000193618188 1433029766 /nfs/dbraw/zinc/02/97/66/1433029766.db2.gz JZWIQCZSPKRCTR-UHFFFAOYSA-N 1 0 388.515 3.110 20 30 GGEDRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000193619330 1433030146 /nfs/dbraw/zinc/03/01/46/1433030146.db2.gz JIPVBFTZJIZIQJ-UHFFFAOYSA-N 1 0 376.504 3.487 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000193626539 1433030765 /nfs/dbraw/zinc/03/07/65/1433030765.db2.gz PMCKGXVPASAZPB-SFHVURJKSA-N 1 0 394.560 3.020 20 30 GGEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193793855 1433060782 /nfs/dbraw/zinc/06/07/82/1433060782.db2.gz LYBAWLYTQMHLRF-HXUWFJFHSA-N 1 0 377.488 3.354 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)c2ccccc2OCC#N)[NH+]2CCCC2)cc1 ZINC000194043855 1433106510 /nfs/dbraw/zinc/10/65/10/1433106510.db2.gz ZYXJOWYABLQMNS-HXUWFJFHSA-N 1 0 379.460 3.164 20 30 GGEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000194120938 1433121140 /nfs/dbraw/zinc/12/11/40/1433121140.db2.gz OIDVYWSSFHELLG-IBGZPJMESA-N 1 0 375.394 3.433 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccccc3OCC#N)cc2)C[C@@H](C)O1 ZINC000194144845 1433125900 /nfs/dbraw/zinc/12/59/00/1433125900.db2.gz GROLVTOUGONCRJ-QZTJIDSGSA-N 1 0 393.487 3.128 20 30 GGEDRO N#Cc1ccsc1NC(=O)CCN1CCN(c2nc3ccccc3s2)CC1 ZINC000194199809 1433137201 /nfs/dbraw/zinc/13/72/01/1433137201.db2.gz AWGNILAZCVYKAY-UHFFFAOYSA-N 1 0 397.529 3.380 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000194248343 1433148543 /nfs/dbraw/zinc/14/85/43/1433148543.db2.gz JKUDFVQZYGRHRJ-MRXNPFEDSA-N 1 0 388.487 3.001 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000194255770 1433150153 /nfs/dbraw/zinc/15/01/53/1433150153.db2.gz AWCXMCSIETZSID-UHFFFAOYSA-N 1 0 375.428 3.083 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)CSc1nc2c(cc1C#N)CCCC2)c1ccccc1 ZINC000194379028 1433169068 /nfs/dbraw/zinc/16/90/68/1433169068.db2.gz NIGMQBGPORMEBE-FQEVSTJZSA-N 1 0 394.544 3.343 20 30 GGEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194425705 1433176000 /nfs/dbraw/zinc/17/60/00/1433176000.db2.gz WFVPJRUUUSEASI-OAQYLSRUSA-N 1 0 379.479 3.493 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[NH+](C)C)cc1 ZINC000194552507 1433196102 /nfs/dbraw/zinc/19/61/02/1433196102.db2.gz WTROCHXCBZRBBH-FQEVSTJZSA-N 1 0 392.503 3.154 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000194556507 1433196743 /nfs/dbraw/zinc/19/67/43/1433196743.db2.gz PIOXVQYGQCMXDN-SFHVURJKSA-N 1 0 396.491 3.219 20 30 GGEDRO CC[NH+]1CCN(CCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000194666808 1433212797 /nfs/dbraw/zinc/21/27/97/1433212797.db2.gz RAJRLDFKEONSCE-UHFFFAOYSA-N 1 0 392.503 3.103 20 30 GGEDRO COc1ccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000194712898 1433218758 /nfs/dbraw/zinc/21/87/58/1433218758.db2.gz ARWRGECXWARJRV-QFIPXVFZSA-N 1 0 377.488 3.453 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2C#N)cc1 ZINC000194744315 1433223430 /nfs/dbraw/zinc/22/34/30/1433223430.db2.gz CXDCRTUGTVJQTJ-SDNWHVSQSA-N 1 0 390.487 3.282 20 30 GGEDRO C=CCOc1cccc(C[NH2+]C[C@H](c2ccc(OC)cc2)N2CCOCC2)c1 ZINC000194884679 1433257050 /nfs/dbraw/zinc/25/70/50/1433257050.db2.gz KJNLDVCTLYVAQC-HSZRJFAPSA-N 1 0 382.504 3.423 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000194894984 1433259057 /nfs/dbraw/zinc/25/90/57/1433259057.db2.gz LVBPHGDXYLNQSB-UWJYYQICSA-N 1 0 378.476 3.086 20 30 GGEDRO C[C@@H](O)c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000195070885 1433288554 /nfs/dbraw/zinc/28/85/54/1433288554.db2.gz NDGTZTKTZUWROC-GOSISDBHSA-N 1 0 392.503 3.029 20 30 GGEDRO C=CCc1cc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c(OC)c1 ZINC000195177934 1433303363 /nfs/dbraw/zinc/30/33/63/1433303363.db2.gz GBDXUCWAHYFIBQ-HDICACEKSA-N 1 0 388.508 3.428 20 30 GGEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(C#N)c(C)n2)ccc1OC ZINC000195299670 1433316605 /nfs/dbraw/zinc/31/66/05/1433316605.db2.gz FFDFXYSYOOOJDI-UHFFFAOYSA-N 1 0 382.464 3.243 20 30 GGEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1)C(C)C ZINC000195313392 1433318152 /nfs/dbraw/zinc/31/81/52/1433318152.db2.gz ALDDBTUIGXYNHP-UHFFFAOYSA-N 1 0 391.519 3.146 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c(OC)c1 ZINC000195358162 1433322479 /nfs/dbraw/zinc/32/24/79/1433322479.db2.gz JPCIGHQYFJXYEI-ROUUACIJSA-N 1 0 388.533 3.500 20 30 GGEDRO N#CCOc1ccccc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000195379958 1433324070 /nfs/dbraw/zinc/32/40/70/1433324070.db2.gz YFPXHHJKABOTEW-UHFFFAOYSA-N 1 0 381.501 3.433 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000195465099 1433332965 /nfs/dbraw/zinc/33/29/65/1433332965.db2.gz NZKDSAWUEHKLBW-NQIIRXRSSA-N 1 0 388.552 3.028 20 30 GGEDRO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000195731839 1433346023 /nfs/dbraw/zinc/34/60/23/1433346023.db2.gz NGCHWOORMULNPI-GOTSBHOMSA-N 1 0 388.515 3.060 20 30 GGEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000195731842 1433346156 /nfs/dbraw/zinc/34/61/56/1433346156.db2.gz NGCHWOORMULNPI-DHIUTWEWSA-N 1 0 388.515 3.060 20 30 GGEDRO CCN1C[C@H](C[N@H+](C)CCC(=O)Nc2ccccc2C#N)Oc2ccccc21 ZINC000198392237 1433349747 /nfs/dbraw/zinc/34/97/47/1433349747.db2.gz ANOSMWYNOOCSMK-SFHVURJKSA-N 1 0 378.476 3.106 20 30 GGEDRO C=CCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000198859045 1433351516 /nfs/dbraw/zinc/35/15/16/1433351516.db2.gz VTMMLZCSTXVZMA-HXUWFJFHSA-N 1 0 380.488 3.437 20 30 GGEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC000229351044 1433371590 /nfs/dbraw/zinc/37/15/90/1433371590.db2.gz GHYZKCIWDWKHJK-IAGOWNOFSA-N 1 0 392.569 3.168 20 30 GGEDRO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000229125769 1433371789 /nfs/dbraw/zinc/37/17/89/1433371789.db2.gz ISOVRUGUIQLSHH-AWWSKVOZSA-N 1 0 396.579 3.395 20 30 GGEDRO C=CCOc1ccccc1CN(C(=O)[C@H](C)C[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000237155763 1433390981 /nfs/dbraw/zinc/39/09/81/1433390981.db2.gz UBYGTNWDYBFPNN-QGZVFWFLSA-N 1 0 396.487 3.411 20 30 GGEDRO C#CCOc1ccc(Br)cc1CNC1CC[NH+](CCCOC)CC1 ZINC000237197503 1433392212 /nfs/dbraw/zinc/39/22/12/1433392212.db2.gz VBNRSDRFXFUBCK-UHFFFAOYSA-N 1 0 395.341 3.052 20 30 GGEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000237305997 1433396701 /nfs/dbraw/zinc/39/67/01/1433396701.db2.gz HICICAIJZWNTJN-HXUWFJFHSA-N 1 0 380.488 3.080 20 30 GGEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000237353714 1433398777 /nfs/dbraw/zinc/39/87/77/1433398777.db2.gz KRDQQCJEZODLGF-AWEZNQCLSA-N 1 0 376.298 3.392 20 30 GGEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000237371051 1433399356 /nfs/dbraw/zinc/39/93/56/1433399356.db2.gz ZZGLANVBJMDWCU-INIZCTEOSA-N 1 0 387.505 3.128 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000237496193 1433406238 /nfs/dbraw/zinc/40/62/38/1433406238.db2.gz LNIYEQQTHLZKOT-HTAPYJJXSA-N 1 0 393.487 3.176 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000237582855 1433410570 /nfs/dbraw/zinc/41/05/70/1433410570.db2.gz QXVZMVDDJRHOBE-HZPDHXFCSA-N 1 0 387.505 3.079 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000237600289 1433411712 /nfs/dbraw/zinc/41/17/12/1433411712.db2.gz LNIYEQQTHLZKOT-VGSWGCGISA-N 1 0 393.487 3.176 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000237602408 1433412334 /nfs/dbraw/zinc/41/23/34/1433412334.db2.gz HTASSUPSGOYOSE-SJORKVTESA-N 1 0 393.487 3.486 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)cc1 ZINC000237638647 1433413995 /nfs/dbraw/zinc/41/39/95/1433413995.db2.gz DUXQSULJSSYNBT-MOPGFXCFSA-N 1 0 379.504 3.488 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000237902150 1433432853 /nfs/dbraw/zinc/43/28/53/1433432853.db2.gz LAAWCFPFLFJYGS-UHFFFAOYSA-N 1 0 378.476 3.159 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000237950387 1433436725 /nfs/dbraw/zinc/43/67/25/1433436725.db2.gz BYOPQNRWMCNAFQ-QGZVFWFLSA-N 1 0 379.378 3.247 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000237950482 1433436776 /nfs/dbraw/zinc/43/67/76/1433436776.db2.gz CGSPVPJISOGBRM-QGZVFWFLSA-N 1 0 379.378 3.247 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCN3CCC(O)CC3)c2)c1 ZINC000238152075 1433444334 /nfs/dbraw/zinc/44/43/34/1433444334.db2.gz UIYQIFMCZMQHHN-UHFFFAOYSA-N 1 0 379.504 3.074 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1Cl ZINC000238140857 1433444350 /nfs/dbraw/zinc/44/43/50/1433444350.db2.gz CZQIENWFTHWGFN-HXUWFJFHSA-N 1 0 386.923 3.414 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245437564 1433467574 /nfs/dbraw/zinc/46/75/74/1433467574.db2.gz DWDXILPHXSGMJH-TZIWHRDSSA-N 1 0 382.552 3.171 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245441812 1433468304 /nfs/dbraw/zinc/46/83/04/1433468304.db2.gz HPIQKXSEOCMJQF-MOPGFXCFSA-N 1 0 375.582 3.459 20 30 GGEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000245448592 1433469672 /nfs/dbraw/zinc/46/96/72/1433469672.db2.gz MZPPXYARLVFXKH-RBUKOAKNSA-N 1 0 376.504 3.482 20 30 GGEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1=S ZINC000245450268 1433469902 /nfs/dbraw/zinc/46/99/02/1433469902.db2.gz OLTWMHCFRQGTAS-MOPGFXCFSA-N 1 0 383.565 3.317 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000245453786 1433470527 /nfs/dbraw/zinc/47/05/27/1433470527.db2.gz GGOKLLFKYOXNOU-MOPGFXCFSA-N 1 0 385.508 3.054 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245458391 1433472067 /nfs/dbraw/zinc/47/20/67/1433472067.db2.gz UVQFYMHJIZWJCG-CVEARBPZSA-N 1 0 386.565 3.243 20 30 GGEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000245463503 1433473447 /nfs/dbraw/zinc/47/34/47/1433473447.db2.gz XLUMRPSGLUSIHX-UNMCSNQZSA-N 1 0 375.472 3.202 20 30 GGEDRO CCc1nccn1[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514422 1433479931 /nfs/dbraw/zinc/47/99/31/1433479931.db2.gz BVDRCODPBPMAFL-UXHICEINSA-N 1 0 377.492 3.150 20 30 GGEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000245562670 1433485409 /nfs/dbraw/zinc/48/54/09/1433485409.db2.gz OXRQLVCIQNQPBT-QREPNTDJSA-N 1 0 399.539 3.063 20 30 GGEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245562669 1433485415 /nfs/dbraw/zinc/48/54/15/1433485415.db2.gz OXRQLVCIQNQPBT-NXMBOHNASA-N 1 0 399.539 3.063 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245603539 1433489746 /nfs/dbraw/zinc/48/97/46/1433489746.db2.gz MXPKYARSJJZKDT-HLIPFELVSA-N 1 0 383.471 3.240 20 30 GGEDRO C=C(C)COCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245670781 1433497697 /nfs/dbraw/zinc/49/76/97/1433497697.db2.gz HVNUPPFXDUMGRQ-YJBOKZPZSA-N 1 0 383.895 3.364 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245689716 1433499919 /nfs/dbraw/zinc/49/99/19/1433499919.db2.gz QCTAKSBTELBYMQ-WSTZPKSXSA-N 1 0 395.507 3.110 20 30 GGEDRO C#CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000245696009 1433501576 /nfs/dbraw/zinc/50/15/76/1433501576.db2.gz KNXCLDPJJATGNN-DHIUTWEWSA-N 1 0 397.563 3.108 20 30 GGEDRO C=CCCOCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245720084 1433505330 /nfs/dbraw/zinc/50/53/30/1433505330.db2.gz QXQGNHXZFINZLF-MAUKXSAKSA-N 1 0 383.895 3.364 20 30 GGEDRO 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ZINC000246493265 1433620698 /nfs/dbraw/zinc/62/06/98/1433620698.db2.gz PMDKGZIWGQBFLR-NUJGCVRESA-N 1 0 388.537 3.265 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246545927 1433628912 /nfs/dbraw/zinc/62/89/12/1433628912.db2.gz KDWJWLBPWRSIIU-KGVIQGDOSA-N 1 0 398.526 3.410 20 30 GGEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000246545477 1433628982 /nfs/dbraw/zinc/62/89/82/1433628982.db2.gz SSXBNYAXISWYLF-FXAWDEMLSA-N 1 0 379.460 3.287 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246545919 1433629121 /nfs/dbraw/zinc/62/91/21/1433629121.db2.gz KDWJWLBPWRSIIU-HMFYCAOWSA-N 1 0 398.526 3.410 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)C(=O)Nc3cccc(C#N)c3)ccc2NC1=O ZINC000246557142 1433630786 /nfs/dbraw/zinc/63/07/86/1433630786.db2.gz YVXKDRIWMSRQSI-KSMMKXTCSA-N 1 0 392.459 3.346 20 30 GGEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246585809 1433635265 /nfs/dbraw/zinc/63/52/65/1433635265.db2.gz SNBNVDDWBUUILR-VCOUNFBDSA-N 1 0 381.520 3.437 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000246722681 1433655540 /nfs/dbraw/zinc/65/55/40/1433655540.db2.gz MACITSQIJUTDNO-SJORKVTESA-N 1 0 390.553 3.439 20 30 GGEDRO C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]1C ZINC000246898562 1433684491 /nfs/dbraw/zinc/68/44/91/1433684491.db2.gz FMZOCJCWVVPOAV-SQNIBIBYSA-N 1 0 398.551 3.476 20 30 GGEDRO C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@@H]1C ZINC000246898542 1433684628 /nfs/dbraw/zinc/68/46/28/1433684628.db2.gz FMZOCJCWVVPOAV-KZNAEPCWSA-N 1 0 398.551 3.476 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000247242336 1433695389 /nfs/dbraw/zinc/69/53/89/1433695389.db2.gz TUNQWGGQSJLBJX-FGTMMUONSA-N 1 0 377.554 3.424 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000247446385 1433724112 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QTBFQZRMSNGCLB-UHFFFAOYSA-N 1 0 381.476 3.264 20 30 GGEDRO N#CC1(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000248173797 1433777343 /nfs/dbraw/zinc/77/73/43/1433777343.db2.gz VGKJYJZHFCLVMG-FGZHOGPDSA-N 1 0 394.563 3.316 20 30 GGEDRO C[C@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000248376434 1433789351 /nfs/dbraw/zinc/78/93/51/1433789351.db2.gz CNXVGMXBCNDQOQ-KRWDZBQOSA-N 1 0 382.533 3.005 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000248390056 1433793818 /nfs/dbraw/zinc/79/38/18/1433793818.db2.gz BMXXVUOCPKLVNL-CYGODWOOSA-N 1 0 376.504 3.243 20 30 GGEDRO N#CCC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248439354 1433802818 /nfs/dbraw/zinc/80/28/18/1433802818.db2.gz IOAGDPREAIZFHV-YADHBBJMSA-N 1 0 392.503 3.097 20 30 GGEDRO C=C(C)[C@H](NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000248505423 1433806108 /nfs/dbraw/zinc/80/61/08/1433806108.db2.gz WMOQAQVPTPBGSV-DOXZYTNZSA-N 1 0 381.467 3.381 20 30 GGEDRO C=C(C)[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000248505422 1433806193 /nfs/dbraw/zinc/80/61/93/1433806193.db2.gz WMOQAQVPTPBGSV-CLCXKQKWSA-N 1 0 381.467 3.381 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)[C@@H](C)C1 ZINC000248521399 1433806656 /nfs/dbraw/zinc/80/66/56/1433806656.db2.gz BMELENCQHIHDSY-KSZLIROESA-N 1 0 388.512 3.236 20 30 GGEDRO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248557207 1433808212 /nfs/dbraw/zinc/80/82/12/1433808212.db2.gz IKXPFPREJJVTAA-JLMWRMLUSA-N 1 0 380.536 3.296 20 30 GGEDRO C[C@@H](CCO)[N@H+](Cc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248770090 1433821459 /nfs/dbraw/zinc/82/14/59/1433821459.db2.gz SLHGWRRMQUJTPV-AVRDEDQJSA-N 1 0 377.488 3.327 20 30 GGEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000249017658 1433832423 /nfs/dbraw/zinc/83/24/23/1433832423.db2.gz KJHKDXAYPGIQOZ-JLHGSKIFSA-N 1 0 377.488 3.450 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000249074341 1433834015 /nfs/dbraw/zinc/83/40/15/1433834015.db2.gz MRZGAZJFEKUCHW-KDOFPFPSSA-N 1 0 381.467 3.069 20 30 GGEDRO C[C@@H]1CN([C@H](C[NH2+]Cc2cc(C#N)n(C)c2)c2c(F)cccc2Cl)CCO1 ZINC000249601252 1433847826 /nfs/dbraw/zinc/84/78/26/1433847826.db2.gz OJPCEBVXPRVQAN-AUUYWEPGSA-N 1 0 390.890 3.241 20 30 GGEDRO CCN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@H](C)C#N ZINC000250059191 1433854041 /nfs/dbraw/zinc/85/40/41/1433854041.db2.gz ZJEBMCIDIRWYQF-VQIMIIECSA-N 1 0 376.932 3.075 20 30 GGEDRO C=CCC[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000250112829 1433854396 /nfs/dbraw/zinc/85/43/96/1433854396.db2.gz TYDRBKCICZOZEN-ZRBLBEILSA-N 1 0 378.516 3.488 20 30 GGEDRO CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000250121297 1433854535 /nfs/dbraw/zinc/85/45/35/1433854535.db2.gz WIUGVBGLHYXYNL-GMAHTHKFSA-N 1 0 382.552 3.171 20 30 GGEDRO CCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000250121299 1433854604 /nfs/dbraw/zinc/85/46/04/1433854604.db2.gz WIUGVBGLHYXYNL-JTHBVZDNSA-N 1 0 382.552 3.171 20 30 GGEDRO C[C@H](C#N)Oc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000250118808 1433854643 /nfs/dbraw/zinc/85/46/43/1433854643.db2.gz UWDQKHUBQSNZSE-XXBNENTESA-N 1 0 379.504 3.046 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000250118805 1433854659 /nfs/dbraw/zinc/85/46/59/1433854659.db2.gz UWDQKHUBQSNZSE-CVDCTZTESA-N 1 0 379.504 3.046 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000250200356 1433855013 /nfs/dbraw/zinc/85/50/13/1433855013.db2.gz CFDJIOOVMDFEIH-VWNXMTODSA-N 1 0 394.515 3.462 20 30 GGEDRO CCc1ccc([C@H](C)NC(=O)CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000250529180 1433856628 /nfs/dbraw/zinc/85/66/28/1433856628.db2.gz TVDMWLOBFKLLCR-SFHVURJKSA-N 1 0 395.503 3.314 20 30 GGEDRO CCc1ccc([C@@H](C)NC(=O)CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000250529176 1433856670 /nfs/dbraw/zinc/85/66/70/1433856670.db2.gz TVDMWLOBFKLLCR-GOSISDBHSA-N 1 0 395.503 3.314 20 30 GGEDRO CC[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[N@@H+]1C[C@H](C)O ZINC000252466330 1433863302 /nfs/dbraw/zinc/86/33/02/1433863302.db2.gz YFZTXUYGIRPKEJ-GXTWGEPZSA-N 1 0 376.863 3.180 20 30 GGEDRO CC[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[N@@H+]1C[C@H](C)O ZINC000252466331 1433863345 /nfs/dbraw/zinc/86/33/45/1433863345.db2.gz YFZTXUYGIRPKEJ-JSGCOSHPSA-N 1 0 376.863 3.180 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c(OC)c1 ZINC000253188436 1433865104 /nfs/dbraw/zinc/86/51/04/1433865104.db2.gz GCPFODXNBVEQKY-HSALFYBXSA-N 1 0 385.508 3.133 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000253542690 1433868512 /nfs/dbraw/zinc/86/85/12/1433868512.db2.gz JBZHPGQAJBFCPO-APWZRJJASA-N 1 0 398.551 3.321 20 30 GGEDRO C[C@H](CNC(=O)[C@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000254943291 1433872776 /nfs/dbraw/zinc/87/27/76/1433872776.db2.gz DBVIBJRJAMMHSU-MOPGFXCFSA-N 1 0 395.503 3.182 20 30 GGEDRO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)NC1(c2ccccc2)CCC1 ZINC000254960065 1433873055 /nfs/dbraw/zinc/87/30/55/1433873055.db2.gz XFNBULRYIWPWRN-UHFFFAOYSA-N 1 0 393.487 3.069 20 30 GGEDRO CON=Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000255331493 1433880619 /nfs/dbraw/zinc/88/06/19/1433880619.db2.gz OMBHNXXIECLHNZ-UHFFFAOYSA-N 1 0 392.503 3.451 20 30 GGEDRO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000255337529 1433880817 /nfs/dbraw/zinc/88/08/17/1433880817.db2.gz ZUFFYSHVNIQILI-PZJWPPBQSA-N 1 0 385.508 3.055 20 30 GGEDRO COc1cccc(C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2ccccc2)c1 ZINC000255366327 1433881379 /nfs/dbraw/zinc/88/13/79/1433881379.db2.gz LZMICMCZKJTYBT-UTTYWZDOSA-N 1 0 391.471 3.095 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C\c1ccccc1C#N ZINC000255370541 1433881431 /nfs/dbraw/zinc/88/14/31/1433881431.db2.gz UJAZTDWYNMKEQP-FLIBITNWSA-N 1 0 390.487 3.361 20 30 GGEDRO CCc1ccccc1NC(=O)[C@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255907880 1433891584 /nfs/dbraw/zinc/89/15/84/1433891584.db2.gz XCMAGPZLBCAOBJ-KRWDZBQOSA-N 1 0 381.476 3.463 20 30 GGEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000255958807 1433892869 /nfs/dbraw/zinc/89/28/69/1433892869.db2.gz QMLATNNJCBGEHK-HOTGVXAUSA-N 1 0 381.442 3.477 20 30 GGEDRO C[NH+]=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)N(C)C[C@@H]1CCOC1 ZINC000261606120 1433897030 /nfs/dbraw/zinc/89/70/30/1433897030.db2.gz DMEKWBVFNBJYST-SFHVURJKSA-N 1 0 379.504 3.332 20 30 GGEDRO CC[NH+]=C(NCc1cccnc1-n1ccnc1C)N1CCS[C@H](C(C)C)C1 ZINC000261687729 1433899218 /nfs/dbraw/zinc/89/92/18/1433899218.db2.gz DUYLRXXPDYYIDD-SFHVURJKSA-N 1 0 386.569 3.115 20 30 GGEDRO C[NH+]=C(NCc1ccc(Br)cc1C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000261689519 1433899230 /nfs/dbraw/zinc/89/92/30/1433899230.db2.gz IGFJRAAKUHVXIP-XHSDSOJGSA-N 1 0 380.330 3.236 20 30 GGEDRO CC[NH+]=C(NCc1cccnc1-n1ccnc1C)N1CCS[C@@H](C(C)C)C1 ZINC000261687727 1433899266 /nfs/dbraw/zinc/89/92/66/1433899266.db2.gz DUYLRXXPDYYIDD-GOSISDBHSA-N 1 0 386.569 3.115 20 30 GGEDRO CCc1cnc(CNC(=[NH+]C)N(C)Cc2cc(Br)cn2C)s1 ZINC000261699519 1433899413 /nfs/dbraw/zinc/89/94/13/1433899413.db2.gz FZHOIYDZKVCQDB-UHFFFAOYSA-N 1 0 384.347 3.014 20 30 GGEDRO CC[NH+]=C(NCCc1nc(C)c(C)s1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261732941 1433900858 /nfs/dbraw/zinc/90/08/58/1433900858.db2.gz JRNDRXWZSLPBTN-CGTJXYLNSA-N 1 0 376.570 3.205 20 30 GGEDRO C[NH+]=C(NCc1ccnc(-n2cccn2)c1)N1CCSC2(CCCCC2)C1 ZINC000261762501 1433902173 /nfs/dbraw/zinc/90/21/73/1433902173.db2.gz NECIXDUEDXDSJN-UHFFFAOYSA-N 1 0 384.553 3.094 20 30 GGEDRO C[NH+]=C(N[C@H](C)c1cccc(-n2cccn2)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261768064 1433902714 /nfs/dbraw/zinc/90/27/14/1433902714.db2.gz OXGWPDZGXVQYDG-RCOXNQKVSA-N 1 0 393.535 3.446 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CC1)N(C)Cc1ccon1 ZINC000261769866 1433902914 /nfs/dbraw/zinc/90/29/14/1433902914.db2.gz NXBNRSALNWDFDT-UHFFFAOYSA-N 1 0 377.286 3.176 20 30 GGEDRO C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1nc(-c2ccccc2)no1 ZINC000261776453 1433903377 /nfs/dbraw/zinc/90/33/77/1433903377.db2.gz ZWQCAFSDLKXCMX-RHSMWYFYSA-N 1 0 377.448 3.268 20 30 GGEDRO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261797694 1433904648 /nfs/dbraw/zinc/90/46/48/1433904648.db2.gz GQMAIROJSRLCGV-NXOAAHMSSA-N 1 0 398.334 3.149 20 30 GGEDRO C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261822172 1433905366 /nfs/dbraw/zinc/90/53/66/1433905366.db2.gz UNSCYUCLVTVYBG-UHFFFAOYSA-N 1 0 391.466 3.148 20 30 GGEDRO CCc1cnc(CNC(N[C@H]2CCN(c3cccc(Cl)c3)C2)=[NH+]C)s1 ZINC000261849196 1433906796 /nfs/dbraw/zinc/90/67/96/1433906796.db2.gz XDEOKDHNGXOPEC-AWEZNQCLSA-N 1 0 377.945 3.303 20 30 GGEDRO C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=[NH2+])NC3CCCCCC3)cc2)C1=O ZINC000261906073 1433911788 /nfs/dbraw/zinc/91/17/88/1433911788.db2.gz XAKMGOKXKPKLBL-JOCHJYFZSA-N 1 0 397.523 3.039 20 30 GGEDRO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000261928419 1433913603 /nfs/dbraw/zinc/91/36/03/1433913603.db2.gz LFSTWWYTNXWLSK-CAOSSQGBSA-N 1 0 386.323 3.005 20 30 GGEDRO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000261928423 1433913821 /nfs/dbraw/zinc/91/38/21/1433913821.db2.gz LFSTWWYTNXWLSK-JONQDZQNSA-N 1 0 386.323 3.005 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2Cl)CCOCC1)N1CC[C@]2(CCOC2)C1 ZINC000261937760 1433914056 /nfs/dbraw/zinc/91/40/56/1433914056.db2.gz CWAYXNWFGOYMBA-FQEVSTJZSA-N 1 0 391.943 3.076 20 30 GGEDRO Cc1nnc(CNC(N[C@H]2CC(C)(C)Oc3ccccc32)=[NH+]C2CCCC2)n1C ZINC000261933741 1433914189 /nfs/dbraw/zinc/91/41/89/1433914189.db2.gz BYEZZJITWUUJJB-SFHVURJKSA-N 1 0 396.539 3.404 20 30 GGEDRO Cc1nnc(CNC(N[C@@H]2CC(C)(C)Oc3ccccc32)=[NH+]C2CCCC2)n1C ZINC000261933740 1433914317 /nfs/dbraw/zinc/91/43/17/1433914317.db2.gz BYEZZJITWUUJJB-GOSISDBHSA-N 1 0 396.539 3.404 20 30 GGEDRO C[NH+]=C(NCc1ccc(OC)cc1OC1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261964946 1433917107 /nfs/dbraw/zinc/91/71/07/1433917107.db2.gz LDEQYSGYVRROLA-QFIPXVFZSA-N 1 0 387.524 3.204 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261967121 1433917605 /nfs/dbraw/zinc/91/76/05/1433917605.db2.gz LSPXLHAWLYVFSL-RYUDHWBXSA-N 1 0 386.447 3.017 20 30 GGEDRO Cc1nnc(CNC(N[C@H](C)c2ccc(F)cc2F)=[NH+]C2CCCC2)n1C ZINC000261970901 1433918279 /nfs/dbraw/zinc/91/82/79/1433918279.db2.gz MTCCZABFFJVWRP-GFCCVEGCSA-N 1 0 376.455 3.141 20 30 GGEDRO Cc1nnc(CNC(N[C@@H](C)c2ccccc2)=[NH+][C@@H]2CCOC3(CCC3)C2)n1C ZINC000261970918 1433918303 /nfs/dbraw/zinc/91/83/03/1433918303.db2.gz MTJUXBYJKZZWAD-QFBILLFUSA-N 1 0 396.539 3.022 20 30 GGEDRO CC[NH+]=C(NCc1cccc2cccnc21)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261977269 1433918532 /nfs/dbraw/zinc/91/85/32/1433918532.db2.gz NXNRGVCMSBKGMA-PXNSSMCTSA-N 1 0 376.508 3.480 20 30 GGEDRO CCc1cccc(NC(=[NH2+])NCC2(c3ccc4c(c3)OCO4)CCOCC2)c1 ZINC000261978652 1433918541 /nfs/dbraw/zinc/91/85/41/1433918541.db2.gz HCQKDNAGTSSYJN-UHFFFAOYSA-N 1 0 381.476 3.453 20 30 GGEDRO CC[NH+]=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000261978988 1433918605 /nfs/dbraw/zinc/91/86/05/1433918605.db2.gz OLZLWZPCWQJIGY-LJQANCHMSA-N 1 0 379.426 3.135 20 30 GGEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261975979 1433918611 /nfs/dbraw/zinc/91/86/11/1433918611.db2.gz NQRJDTFBZCZKEO-WMZOPIPTSA-N 1 0 396.539 3.006 20 30 GGEDRO Cc1nnc(CNC(N[C@H]2CCOc3ccccc32)=[NH+]C2CCCCC2)n1C ZINC000261985862 1433919457 /nfs/dbraw/zinc/91/94/57/1433919457.db2.gz QCDSBXROSZHQIK-SFHVURJKSA-N 1 0 382.512 3.015 20 30 GGEDRO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCc2ccccc2C1 ZINC000261988310 1433919553 /nfs/dbraw/zinc/91/95/53/1433919553.db2.gz KTUBWGRBAOVRDX-INIZCTEOSA-N 1 0 380.492 3.021 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2Br)CC1)N1CC[C@]2(CCOC2)C1 ZINC000261987207 1433919633 /nfs/dbraw/zinc/91/96/33/1433919633.db2.gz QKNGYEHGBLBNPG-SFHVURJKSA-N 1 0 392.341 3.169 20 30 GGEDRO C[NH+]=C(NCC(C)(C)c1ccc2c(c1)OCO2)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261993034 1433919997 /nfs/dbraw/zinc/91/99/97/1433919997.db2.gz RUVVTLHPHXPNAU-WMZOPIPTSA-N 1 0 397.523 3.048 20 30 GGEDRO [NH2+]=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N1CCSCC1 ZINC000261994551 1433920090 /nfs/dbraw/zinc/92/00/90/1433920090.db2.gz NHHLDMKHNKTBBU-UHFFFAOYSA-N 1 0 387.471 3.117 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2cc(Cl)c3c(c2)OCCO3)cc1OC ZINC000261993036 1433920202 /nfs/dbraw/zinc/92/02/02/1433920202.db2.gz MWSLAJGZWBNRIJ-UHFFFAOYSA-N 1 0 377.828 3.055 20 30 GGEDRO C[NH+]=C(NCC(C)(C)c1ccc2c(c1)OCO2)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261993019 1433920236 /nfs/dbraw/zinc/92/02/36/1433920236.db2.gz RUVVTLHPHXPNAU-FUHWJXTLSA-N 1 0 397.523 3.048 20 30 GGEDRO C[NH+]=C(N[C@H](C)c1cccc(N2CCCC2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261994724 1433920281 /nfs/dbraw/zinc/92/02/81/1433920281.db2.gz SDHPQPPSBXCYHV-UMSONDCASA-N 1 0 382.552 3.470 20 30 GGEDRO COc1ccc([C@H]2CCN(C(NCc3nnc(C)n3C)=[NH+]C3CCCC3)C2)cc1 ZINC000261996374 1433920438 /nfs/dbraw/zinc/92/04/38/1433920438.db2.gz SNJXLQWMIGTHDI-SFHVURJKSA-N 1 0 396.539 3.010 20 30 GGEDRO C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261999702 1433920814 /nfs/dbraw/zinc/92/08/14/1433920814.db2.gz UBCFVBUBHNIFPN-YWZLYKJASA-N 1 0 382.487 3.205 20 30 GGEDRO CC(C)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCCO2 ZINC000262007381 1433921063 /nfs/dbraw/zinc/92/10/63/1433921063.db2.gz SAPAMJVXBNSLHR-UHFFFAOYSA-N 1 0 397.475 3.324 20 30 GGEDRO C[NH+]=C(NCc1ccc(OC)c(OC2CCCC2)c1)N1CC[C@]2(CCOC2)C1 ZINC000262001738 1433921084 /nfs/dbraw/zinc/92/10/84/1433921084.db2.gz ULNZWJDHYDKLHW-QFIPXVFZSA-N 1 0 387.524 3.204 20 30 GGEDRO CC[NH+]=C(NCc1ccc(OC)c(Br)c1)N1CC[C@]2(CCOC2)C1 ZINC000262009046 1433921515 /nfs/dbraw/zinc/92/15/15/1433921515.db2.gz WDSPBOITQLBFQI-SFHVURJKSA-N 1 0 396.329 3.036 20 30 GGEDRO CC[NH+]=C(NCc1cc(OC)ccc1Br)N1CC[C@]2(CCOC2)C1 ZINC000262009076 1433921816 /nfs/dbraw/zinc/92/18/16/1433921816.db2.gz WEFAXHJOAUFGBH-SFHVURJKSA-N 1 0 396.329 3.036 20 30 GGEDRO CC[NH+]=C(NCCc1cc2ccccc2[nH]1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262015867 1433922303 /nfs/dbraw/zinc/92/23/03/1433922303.db2.gz XTHBSCFXKJCGHO-LAUBAEHRSA-N 1 0 378.524 3.456 20 30 GGEDRO C/[NH+]=C(\NCc1cn2ccsc2n1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262034388 1433923712 /nfs/dbraw/zinc/92/37/12/1433923712.db2.gz XOMGIDOAXVZENI-CQSZACIVSA-N 1 0 398.319 3.101 20 30 GGEDRO C[C@@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1cccc2ccccc21 ZINC000262156762 1433928767 /nfs/dbraw/zinc/92/87/67/1433928767.db2.gz BKCJVPCEXKIIMZ-CVEARBPZSA-N 1 0 385.533 3.033 20 30 GGEDRO C=CCOc1ccccc1CN(C(=O)CC[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000262176782 1433929783 /nfs/dbraw/zinc/92/97/83/1433929783.db2.gz KQZLXIXQIQEUSR-UHFFFAOYSA-N 1 0 382.460 3.165 20 30 GGEDRO C=CCOc1ccccc1CN(C(=O)[C@H](C)C[NH3+])c1ccc2c(c1)OCCO2 ZINC000262191126 1433930226 /nfs/dbraw/zinc/93/02/26/1433930226.db2.gz LZPNSZWHFWMOMJ-MRXNPFEDSA-N 1 0 382.460 3.151 20 30 GGEDRO C[C@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1ccc2ccccc2c1 ZINC000262230755 1433931727 /nfs/dbraw/zinc/93/17/27/1433931727.db2.gz NBUWJRLTLLDXBF-JKSUJKDBSA-N 1 0 385.533 3.033 20 30 GGEDRO [NH2+]=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)Nc1cc(F)ccc1F ZINC000262239345 1433932120 /nfs/dbraw/zinc/93/21/20/1433932120.db2.gz BCGDCRBCSNGQPC-GOSISDBHSA-N 1 0 394.853 3.418 20 30 GGEDRO [NH2+]=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)Nc1cc(F)ccc1F ZINC000262239346 1433932203 /nfs/dbraw/zinc/93/22/03/1433932203.db2.gz BCGDCRBCSNGQPC-SFHVURJKSA-N 1 0 394.853 3.418 20 30 GGEDRO [NH2+]=C(NC[C@H]1CSCCN1Cc1ccccc1)Nc1cc(F)ccc1F ZINC000262243523 1433932217 /nfs/dbraw/zinc/93/22/17/1433932217.db2.gz BZZHYEQKMNVRGY-INIZCTEOSA-N 1 0 376.476 3.309 20 30 GGEDRO [NH2+]=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000262323219 1433935035 /nfs/dbraw/zinc/93/50/35/1433935035.db2.gz QRNGKRSWUBUCQD-NRFANRHFSA-N 1 0 382.483 3.115 20 30 GGEDRO Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c(-n2cc(Cl)cn2)n1 ZINC000262337796 1433935654 /nfs/dbraw/zinc/93/56/54/1433935654.db2.gz CCDZNCDWLMMFJB-QGZVFWFLSA-N 1 0 396.882 3.157 20 30 GGEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CC2(CCCC2)c2ccccc21 ZINC000262352041 1433936220 /nfs/dbraw/zinc/93/62/20/1433936220.db2.gz FIEXGHRLDLFHKN-QGZVFWFLSA-N 1 0 389.565 3.107 20 30 GGEDRO O=S1(=O)CC[C@H](CNC(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)=[NH+]C2CCCC2)C1 ZINC000262352827 1433936248 /nfs/dbraw/zinc/93/62/48/1433936248.db2.gz FKOZQXGYIVZZOF-AJYBTWMASA-N 1 0 395.613 3.258 20 30 GGEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCCC2(C1)CCCCCC2 ZINC000262358294 1433936413 /nfs/dbraw/zinc/93/64/13/1433936413.db2.gz GHVWZJHXSIUQHW-IBGZPJMESA-N 1 0 395.613 3.379 20 30 GGEDRO CC(C)(C)c1nnc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000262360261 1433936459 /nfs/dbraw/zinc/93/64/59/1433936459.db2.gz GQXXZMPZOHDPMB-UHFFFAOYSA-N 1 0 392.960 3.126 20 30 GGEDRO CC(C)C[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+][C@@H]2CCCC[C@H]2C)C1 ZINC000262355740 1433936482 /nfs/dbraw/zinc/93/64/82/1433936482.db2.gz FVXXOQAYIWQVRB-FUMNGEBKSA-N 1 0 397.629 3.313 20 30 GGEDRO CC[C@@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)OCCc2ccccc21 ZINC000262366183 1433936741 /nfs/dbraw/zinc/93/67/41/1433936741.db2.gz KEWNSRCNORYRHW-QFIPXVFZSA-N 1 0 381.476 3.453 20 30 GGEDRO CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262373542 1433936918 /nfs/dbraw/zinc/93/69/18/1433936918.db2.gz JBFZRLYOHGNBGH-VPAKFMSCSA-N 1 0 383.602 3.114 20 30 GGEDRO [NH2+]=C(NC[C@H](O)c1c(Cl)cccc1Cl)N[C@H]1CCOc2ccccc21 ZINC000262373481 1433936947 /nfs/dbraw/zinc/93/69/47/1433936947.db2.gz JANUBMMPYJBYEC-GJZGRUSLSA-N 1 0 380.275 3.455 20 30 GGEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H](C)c1cccc2ccccc21 ZINC000262371921 1433936965 /nfs/dbraw/zinc/93/69/65/1433936965.db2.gz ISNYRGKDYLNAOU-IAGOWNOFSA-N 1 0 387.549 3.279 20 30 GGEDRO CC(C)[C@@H]1CCC[C@H](NC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)C1 ZINC000262380362 1433937263 /nfs/dbraw/zinc/93/72/63/1433937263.db2.gz KILHARJESPWVNM-LMMKCTJWSA-N 1 0 383.602 3.114 20 30 GGEDRO CC(C)C[C@@H]1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1 ZINC000262389678 1433937371 /nfs/dbraw/zinc/93/73/71/1433937371.db2.gz MADLCTFWUBQXRR-ROUUACIJSA-N 1 0 383.602 3.067 20 30 GGEDRO CC(C)C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCCC2(C1)CCCCCC2 ZINC000262387235 1433937456 /nfs/dbraw/zinc/93/74/56/1433937456.db2.gz LOYJDXQULFJUGU-LJQANCHMSA-N 1 0 397.629 3.459 20 30 GGEDRO CC[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262397838 1433937836 /nfs/dbraw/zinc/93/78/36/1433937836.db2.gz NFYSQAFYJVNIHN-GDLCADMTSA-N 1 0 390.475 3.421 20 30 GGEDRO CC[C@H](C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NC1CC(C)(C)CC(C)(C)C1 ZINC000262407263 1433937972 /nfs/dbraw/zinc/93/79/72/1433937972.db2.gz OTJZMCVGEFVFGM-JKSUJKDBSA-N 1 0 385.618 3.360 20 30 GGEDRO C[C@H]1C[C@H]([NH+]=C(NCc2cccs2)NC[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)C1 ZINC000262414058 1433938179 /nfs/dbraw/zinc/93/81/79/1433938179.db2.gz PUWYLHZKQOUHHQ-VVLHAWIVSA-N 1 0 397.610 3.043 20 30 GGEDRO Cc1csc([C@H](C)CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000262417110 1433938367 /nfs/dbraw/zinc/93/83/67/1433938367.db2.gz ZGFJLOBQUGBNMS-CYBMUJFWSA-N 1 0 377.945 3.345 20 30 GGEDRO CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CC2(CCCC2)c2ccccc21 ZINC000262422811 1433938425 /nfs/dbraw/zinc/93/84/25/1433938425.db2.gz REBNXCMNFMIRFJ-QGZVFWFLSA-N 1 0 389.565 3.109 20 30 GGEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC2(CCCC2)c2ccccc21 ZINC000262422807 1433938449 /nfs/dbraw/zinc/93/84/49/1433938449.db2.gz REBNXCMNFMIRFJ-KRWDZBQOSA-N 1 0 389.565 3.109 20 30 GGEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N(C)Cc1ccc2ccccc2c1 ZINC000262424572 1433938639 /nfs/dbraw/zinc/93/86/39/1433938639.db2.gz RKZJPIUUFQMLTJ-GOSISDBHSA-N 1 0 387.549 3.060 20 30 GGEDRO C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262429673 1433938652 /nfs/dbraw/zinc/93/86/52/1433938652.db2.gz SERMMEZFIYCZEP-GDLCADMTSA-N 1 0 390.475 3.073 20 30 GGEDRO CC1(C)CCC[C@H]([NH+]=C(NCc2cccs2)NC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000262439871 1433939209 /nfs/dbraw/zinc/93/92/09/1433939209.db2.gz UJZXIBIQXRYUIB-HOTGVXAUSA-N 1 0 397.610 3.187 20 30 GGEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CCN(c2ccccc2)CC1 ZINC000262445310 1433939366 /nfs/dbraw/zinc/93/93/66/1433939366.db2.gz VDTVNBRONMWCSN-HBMCJLEFSA-N 1 0 384.568 3.414 20 30 GGEDRO CC1(C[NH+]=C(NC[C@H]2CCS(=O)(=O)C2)NC2CCCC2)CCCCCC1 ZINC000262443476 1433939379 /nfs/dbraw/zinc/93/93/79/1433939379.db2.gz UWSMQDHYQWBRMY-QGZVFWFLSA-N 1 0 383.602 3.259 20 30 GGEDRO CCC1(CC)CN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C(C)C)c2ccccc21 ZINC000262445320 1433939396 /nfs/dbraw/zinc/93/93/96/1433939396.db2.gz VDXPROALTVSEBO-KRWDZBQOSA-N 1 0 391.581 3.353 20 30 GGEDRO C[NH+]=C(NCCn1cnc2ccccc21)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000262458576 1433939928 /nfs/dbraw/zinc/93/99/28/1433939928.db2.gz LWECTKLBMFIXCZ-SFHVURJKSA-N 1 0 377.492 3.110 20 30 GGEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c(O[C@@H]2CCOC2)c1 ZINC000262466296 1433940234 /nfs/dbraw/zinc/94/02/34/1433940234.db2.gz YHNUXZJXSMTARV-GOSISDBHSA-N 1 0 397.475 3.251 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N1CC[C@H](Cc2ccccc2)C1 ZINC000262474556 1433940320 /nfs/dbraw/zinc/94/03/20/1433940320.db2.gz PSSLXSIMYQCSTI-HXUWFJFHSA-N 1 0 388.519 3.216 20 30 GGEDRO C[NH+]=C(NC[C@H](c1ccc(C)o1)N1CCOCC1)N1CC[C@H](c2ccccc2)C1 ZINC000262474747 1433940418 /nfs/dbraw/zinc/94/04/18/1433940418.db2.gz PXBUYAIRDMPTBZ-LEWJYISDSA-N 1 0 396.535 3.026 20 30 GGEDRO [NH2+]=C(NCc1cc2c(cc1OC(F)F)OCO2)Nc1ccc2c(c1)CCC2 ZINC000262467997 1433940423 /nfs/dbraw/zinc/94/04/23/1433940423.db2.gz YQBJIEAJNGBAGW-UHFFFAOYSA-N 1 0 375.375 3.432 20 30 GGEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCOCC1)N1CC[C@@H](c2ccccc2)C1 ZINC000262474119 1433940458 /nfs/dbraw/zinc/94/04/58/1433940458.db2.gz PQIYTYFLLYTQTM-WOJBJXKFSA-N 1 0 398.576 3.186 20 30 GGEDRO C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N1CCC2(C1)CCCCC2 ZINC000262478493 1433940612 /nfs/dbraw/zinc/94/06/12/1433940612.db2.gz QRXQFUHPVZODDC-UHFFFAOYSA-N 1 0 394.445 3.480 20 30 GGEDRO [NH2+]=C(NCCOc1ncc(Cl)cc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000262490514 1433940914 /nfs/dbraw/zinc/94/09/14/1433940914.db2.gz JDUFFFWUFSCMBY-CQSZACIVSA-N 1 0 381.263 3.195 20 30 GGEDRO [NH2+]=C(NCc1nn(-c2ccccc2)c2c1CCC2)N[C@H]1CCOc2ccccc21 ZINC000262484675 1433941040 /nfs/dbraw/zinc/94/10/40/1433941040.db2.gz IJCYFLVXFUBKFG-IBGZPJMESA-N 1 0 387.487 3.289 20 30 GGEDRO C[NH+]=C(NCc1ccccc1CN1CCCC1=O)N1CC[C@@H](c2ccccc2)C1 ZINC000262496199 1433941194 /nfs/dbraw/zinc/94/11/94/1433941194.db2.gz WLLOELIJRORDTD-JOCHJYFZSA-N 1 0 390.531 3.374 20 30 GGEDRO C[NH+]=C(NCc1ccc(CN2CCCC2=O)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000262492277 1433941288 /nfs/dbraw/zinc/94/12/88/1433941288.db2.gz VFVCSPGOZHQEIF-QFIPXVFZSA-N 1 0 390.531 3.374 20 30 GGEDRO [NH2+]=C(NCCOc1ncc(Cl)cc1Cl)Nc1ccc2c(c1)OCCCO2 ZINC000262492707 1433941387 /nfs/dbraw/zinc/94/13/87/1433941387.db2.gz JNCFMNDIJCRWTO-UHFFFAOYSA-N 1 0 397.262 3.355 20 30 GGEDRO C[NH+]=C(NCc1ccc(CN2CCCC2=O)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000262492275 1433941411 /nfs/dbraw/zinc/94/14/11/1433941411.db2.gz VFVCSPGOZHQEIF-JOCHJYFZSA-N 1 0 390.531 3.374 20 30 GGEDRO CC1CCN(c2ccc(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)cn2)CC1 ZINC000262511243 1433941919 /nfs/dbraw/zinc/94/19/19/1433941919.db2.gz MEKYQEIMVTVFLM-LJQANCHMSA-N 1 0 379.508 3.246 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N(C)Cc1ccc2c(c1)OCO2 ZINC000262516133 1433941975 /nfs/dbraw/zinc/94/19/75/1433941975.db2.gz CSXJJNVXTQJOSZ-UHFFFAOYSA-N 1 0 386.399 3.098 20 30 GGEDRO C[NH+]=C(NCCc1cn2c(n1)CCCC2)N(C)Cc1c(F)cccc1Cl ZINC000262511948 1433942038 /nfs/dbraw/zinc/94/20/38/1433942038.db2.gz BQRBSVIGPQMBAO-UHFFFAOYSA-N 1 0 377.895 3.262 20 30 GGEDRO C[C@H](NC(=[NH2+])NCc1nc(C(F)(F)F)n[nH]1)c1ccc(Cl)cc1Cl ZINC000262545702 1433942902 /nfs/dbraw/zinc/94/29/02/1433942902.db2.gz RXLGMGPKFNCFRQ-LURJTMIESA-N 1 0 381.189 3.296 20 30 GGEDRO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)NCc1cccs1 ZINC000262537707 1433943004 /nfs/dbraw/zinc/94/30/04/1433943004.db2.gz KISALMIYELFREH-UHFFFAOYSA-N 1 0 395.326 3.123 20 30 GGEDRO O=S1(=O)CC[C@H](CNC(NCc2ccccc2Cl)=[NH+]C2CCCCC2)C1 ZINC000262567123 1433943806 /nfs/dbraw/zinc/94/38/06/1433943806.db2.gz MBHYIWFUWSROPI-OAHLLOKOSA-N 1 0 397.972 3.143 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)NCc1cn2c(n1)CCCC2 ZINC000262570893 1433944132 /nfs/dbraw/zinc/94/41/32/1433944132.db2.gz ZATJRVLWFMVMNK-UHFFFAOYSA-N 1 0 378.480 3.048 20 30 GGEDRO C[NH+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)N1CCC(C)CC1 ZINC000262583497 1433944715 /nfs/dbraw/zinc/94/47/15/1433944715.db2.gz ROGXOIXMSUNGQZ-UHFFFAOYSA-N 1 0 388.825 3.209 20 30 GGEDRO c1coc(CCNC(N[C@@H]2CCOC3(CCCCC3)C2)=[NH+]C2CCOCC2)c1 ZINC000262673214 1433949254 /nfs/dbraw/zinc/94/92/54/1433949254.db2.gz QCIWUZMJIMXBKW-LJQANCHMSA-N 1 0 389.540 3.418 20 30 GGEDRO [NH2+]=C(NC[C@H]1CCCN(c2ccccc2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000262717624 1433952345 /nfs/dbraw/zinc/95/23/45/1433952345.db2.gz DXBWJJXUMIQDSG-QGZVFWFLSA-N 1 0 380.492 3.491 20 30 GGEDRO [NH2+]=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)Nc1ccc2c(c1)OCCCO2 ZINC000262801602 1433957304 /nfs/dbraw/zinc/95/73/04/1433957304.db2.gz MNDPJUNFTXEGER-YVEFUNNKSA-N 1 0 387.402 3.058 20 30 GGEDRO C[NH+]=C(NCc1ccnc(OC2CCOCC2)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000262810821 1433957966 /nfs/dbraw/zinc/95/79/66/1433957966.db2.gz UFZWSEGZMSPOKF-GBESFXJTSA-N 1 0 386.540 3.273 20 30 GGEDRO C[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262824583 1433959269 /nfs/dbraw/zinc/95/92/69/1433959269.db2.gz XXWHUVHLAFDBEW-IOMROCGXSA-N 1 0 395.551 3.169 20 30 GGEDRO CC[NH+]=C(NCc1cc(N(C)C)nc2ccccc12)N1CCC2(C1)CCOCC2 ZINC000262826479 1433959286 /nfs/dbraw/zinc/95/92/86/1433959286.db2.gz YIQZBBQFUKEJSK-UHFFFAOYSA-N 1 0 395.551 3.269 20 30 GGEDRO C[NH+]=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)NCC1CCOCC1 ZINC000262849839 1433961265 /nfs/dbraw/zinc/96/12/65/1433961265.db2.gz WPOKSNPBCHVLQO-UHFFFAOYSA-N 1 0 379.504 3.380 20 30 GGEDRO CC(C)c1cccc(NC(=[NH2+])NCc2nn(C)cc2I)c1 ZINC000263042599 1433979776 /nfs/dbraw/zinc/97/97/76/1433979776.db2.gz COPYEKOAFXIRHE-UHFFFAOYSA-N 1 0 397.264 3.075 20 30 GGEDRO C[NH+]=C(NCC1(c2ccc(OC)cc2)CCOCC1)N1CCc2ccccc21 ZINC000263238863 1433997642 /nfs/dbraw/zinc/99/76/42/1433997642.db2.gz KMKWUISQNHLFGP-UHFFFAOYSA-N 1 0 379.504 3.382 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2cc(Cl)c3c(c2)OCCCO3)cc1OC ZINC000263236052 1433997809 /nfs/dbraw/zinc/99/78/09/1433997809.db2.gz JOTRRKROANPPAV-UHFFFAOYSA-N 1 0 391.855 3.445 20 30 GGEDRO [NH2+]=C(NC[C@@H]1CSCCN1Cc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000263245936 1433998007 /nfs/dbraw/zinc/99/80/07/1433998007.db2.gz HQGFSZSSDXVABC-UYAOXDASSA-N 1 0 396.560 3.032 20 30 GGEDRO [NH2+]=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)N[C@H]1CCOc2ccccc21 ZINC000263246943 1433998230 /nfs/dbraw/zinc/99/82/30/1433998230.db2.gz HYVZJMZRMBOZFG-XKCSPQBFSA-N 1 0 397.494 3.328 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](CNC(=O)C(C)C)C2)c1C ZINC000263663597 1434017166 /nfs/dbraw/zinc/01/71/66/1434017166.db2.gz BFXMBUBLYFXZHH-FQEVSTJZSA-N 1 0 398.551 3.034 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000263682402 1434020260 /nfs/dbraw/zinc/02/02/60/1434020260.db2.gz IOBARGBGVUIZOQ-UHFFFAOYSA-N 1 0 394.450 3.377 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000263698496 1434022458 /nfs/dbraw/zinc/02/24/58/1434022458.db2.gz IEEWLTDCYUDOLT-QZTJIDSGSA-N 1 0 391.581 3.280 20 30 GGEDRO N#Cc1cnc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000263770925 1434031601 /nfs/dbraw/zinc/03/16/01/1434031601.db2.gz JXYCAMPVLUGVJU-KRWDZBQOSA-N 1 0 396.926 3.040 20 30 GGEDRO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(C#N)c1 ZINC000263783924 1434033446 /nfs/dbraw/zinc/03/34/46/1434033446.db2.gz ZFIQUCSEAMFHBY-UHFFFAOYSA-N 1 0 394.544 3.178 20 30 GGEDRO C[C@@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000263797778 1434035297 /nfs/dbraw/zinc/03/52/97/1434035297.db2.gz ZUDPUZJMYAHLOC-FGTMMUONSA-N 1 0 384.524 3.150 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccccc1OC(F)F)[n+]1cccc(CO)c1 ZINC000263926914 1434049553 /nfs/dbraw/zinc/04/95/53/1434049553.db2.gz ZQOVXLPZSRDXTD-UHFFFAOYSA-O 1 0 395.451 3.006 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000263987585 1434058049 /nfs/dbraw/zinc/05/80/49/1434058049.db2.gz SXRFEJIPMXUEIC-UHFFFAOYSA-N 1 0 383.467 3.083 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000263998338 1434059575 /nfs/dbraw/zinc/05/95/75/1434059575.db2.gz MQYNVQBXEBIEKH-STQMWFEESA-N 1 0 396.878 3.408 20 30 GGEDRO COc1cc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)ccc1OCC(=O)N(C)C ZINC000264077133 1434069631 /nfs/dbraw/zinc/06/96/31/1434069631.db2.gz GARHBPGSQSREQL-UHFFFAOYSA-N 1 0 398.507 3.212 20 30 GGEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000264095051 1434071291 /nfs/dbraw/zinc/07/12/91/1434071291.db2.gz LVJLXGMAXUOPCW-UHFFFAOYSA-N 1 0 393.535 3.124 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2ccc(N3CCC(C)CC3)nc2)cc1OC ZINC000264104405 1434072102 /nfs/dbraw/zinc/07/21/02/1434072102.db2.gz NJSCPLVCSPGHGP-UHFFFAOYSA-N 1 0 383.496 3.262 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000264113549 1434072856 /nfs/dbraw/zinc/07/28/56/1434072856.db2.gz JCEFMVCRVBTPMF-UHFFFAOYSA-N 1 0 379.460 3.191 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000264118621 1434073184 /nfs/dbraw/zinc/07/31/84/1434073184.db2.gz CILFEXYIWUAWJU-UHFFFAOYSA-N 1 0 388.512 3.109 20 30 GGEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000264125080 1434073918 /nfs/dbraw/zinc/07/39/18/1434073918.db2.gz WBFBLIYUSACTRZ-QGZVFWFLSA-N 1 0 377.492 3.038 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000264144952 1434075612 /nfs/dbraw/zinc/07/56/12/1434075612.db2.gz GZEDOXHZLGGAMF-UHFFFAOYSA-N 1 0 388.512 3.270 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264186280 1434079467 /nfs/dbraw/zinc/07/94/67/1434079467.db2.gz AFRDENORZAMAAA-RXVVDRJESA-N 1 0 377.488 3.006 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264186270 1434079496 /nfs/dbraw/zinc/07/94/96/1434079496.db2.gz AFRDENORZAMAAA-NQIIRXRSSA-N 1 0 377.488 3.006 20 30 GGEDRO CC(=O)N1CCN(c2ccccc2CNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000264278423 1434091491 /nfs/dbraw/zinc/09/14/91/1434091491.db2.gz NBQVYUJNHVAWBX-UHFFFAOYSA-N 1 0 393.535 3.405 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)CC1 ZINC000264334181 1434098346 /nfs/dbraw/zinc/09/83/46/1434098346.db2.gz AANNXLQRNIVCJS-SFHVURJKSA-N 1 0 386.540 3.242 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000264360680 1434102194 /nfs/dbraw/zinc/10/21/94/1434102194.db2.gz OOGVFPSRKJUCHQ-ROUUACIJSA-N 1 0 386.540 3.068 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000264367651 1434103366 /nfs/dbraw/zinc/10/33/66/1434103366.db2.gz IDTCKENJAHYZRR-KRWDZBQOSA-N 1 0 382.512 3.010 20 30 GGEDRO CCOCCC[NH+]=C(NCCc1c(C)noc1C)NCc1ccc(OC)cc1 ZINC000264374494 1434104429 /nfs/dbraw/zinc/10/44/29/1434104429.db2.gz MTBKGPXJNDLMFD-UHFFFAOYSA-N 1 0 388.512 3.005 20 30 GGEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000264396812 1434107188 /nfs/dbraw/zinc/10/71/88/1434107188.db2.gz YJMKWQCZKQMRPH-KRWDZBQOSA-N 1 0 393.491 3.108 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000264425229 1434110865 /nfs/dbraw/zinc/11/08/65/1434110865.db2.gz YEMJKUVDKAGTOJ-HNNXBMFYSA-N 1 0 391.512 3.113 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CC1 ZINC000264542888 1434125854 /nfs/dbraw/zinc/12/58/54/1434125854.db2.gz UNKSDWYTLNRQID-UHFFFAOYSA-N 1 0 387.911 3.250 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CC[C@@H]([NH+]3CCCCC3)C2)sc2c1CCCC2 ZINC000264561978 1434128375 /nfs/dbraw/zinc/12/83/75/1434128375.db2.gz FUDGCXNUQKDEOE-MRXNPFEDSA-N 1 0 386.565 3.387 20 30 GGEDRO N#CCOc1ccc(CN2CCC[N@H+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000264590588 1434131798 /nfs/dbraw/zinc/13/17/98/1434131798.db2.gz YYSHPXQSXFHVMH-UHFFFAOYSA-N 1 0 390.487 3.199 20 30 GGEDRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000264727838 1434148897 /nfs/dbraw/zinc/14/88/97/1434148897.db2.gz KLMZYAOESGDPLJ-UHFFFAOYSA-N 1 0 390.553 3.259 20 30 GGEDRO CCc1nc([C@@H](C)NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000264828671 1434158021 /nfs/dbraw/zinc/15/80/21/1434158021.db2.gz ITJJYVOPBWNHOR-OAHLLOKOSA-N 1 0 383.521 3.166 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000264905145 1434163540 /nfs/dbraw/zinc/16/35/40/1434163540.db2.gz MHYFIQQOHWTLGR-HXUWFJFHSA-N 1 0 396.535 3.473 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000264905142 1434163552 /nfs/dbraw/zinc/16/35/52/1434163552.db2.gz MHYFIQQOHWTLGR-FQEVSTJZSA-N 1 0 396.535 3.473 20 30 GGEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)ccc1OCc1ccncc1 ZINC000264908011 1434163784 /nfs/dbraw/zinc/16/37/84/1434163784.db2.gz YBLFDMZFKAQQSA-SJORKVTESA-N 1 0 396.491 3.080 20 30 GGEDRO CN(CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)CC(F)(F)F ZINC000264930119 1434165408 /nfs/dbraw/zinc/16/54/08/1434165408.db2.gz AGUSZYQDVPDBQJ-UHFFFAOYSA-N 1 0 379.430 3.438 20 30 GGEDRO COCCOc1ncccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000264937105 1434165736 /nfs/dbraw/zinc/16/57/36/1434165736.db2.gz DOBRVOGTTFABEI-UHFFFAOYSA-N 1 0 391.475 3.174 20 30 GGEDRO CN(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C(=O)OC(C)(C)C ZINC000264949800 1434166909 /nfs/dbraw/zinc/16/69/09/1434166909.db2.gz KGQPSELTLCEEHQ-UHFFFAOYSA-N 1 0 383.496 3.420 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC000264992832 1434172471 /nfs/dbraw/zinc/17/24/71/1434172471.db2.gz XLTRLMXKZBFHMT-KRWDZBQOSA-N 1 0 389.496 3.477 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CC[NH+](C3CCC3)CC2)sc2c1CCCCC2 ZINC000264997022 1434172644 /nfs/dbraw/zinc/17/26/44/1434172644.db2.gz OJKWMIRNMVTDAP-UHFFFAOYSA-N 1 0 386.565 3.387 20 30 GGEDRO Cc1ccc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c(C[NH+](C)C)c1 ZINC000265016833 1434174895 /nfs/dbraw/zinc/17/48/95/1434174895.db2.gz GNPRAAIVVYGDCM-UHFFFAOYSA-N 1 0 390.491 3.159 20 30 GGEDRO Cc1ccc(OCc2cccc(C(=O)N(CCC#N)CCC[NH+](C)C)c2)cn1 ZINC000265128735 1434188305 /nfs/dbraw/zinc/18/83/05/1434188305.db2.gz QLOXINGTPVTOOF-UHFFFAOYSA-N 1 0 380.492 3.277 20 30 GGEDRO COC(=O)CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000265142197 1434190143 /nfs/dbraw/zinc/19/01/43/1434190143.db2.gz MCZXTFOUYKUTHZ-OAHLLOKOSA-N 1 0 377.510 3.293 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000265218235 1434201560 /nfs/dbraw/zinc/20/15/60/1434201560.db2.gz GFNMPSYTIJWTOI-UHFFFAOYSA-N 1 0 390.487 3.445 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000265221485 1434201870 /nfs/dbraw/zinc/20/18/70/1434201870.db2.gz BODSDVKYDICAFR-UHFFFAOYSA-N 1 0 386.525 3.303 20 30 GGEDRO C=CCCCN(C)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000265520038 1434241907 /nfs/dbraw/zinc/24/19/07/1434241907.db2.gz HTHRRZPVDPIFKM-UHFFFAOYSA-N 1 0 389.540 3.284 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC[C@H](c3ccc(C)o3)N2C(=O)OCC)CC1 ZINC000265643992 1434252866 /nfs/dbraw/zinc/25/28/66/1434252866.db2.gz SMWQMFWOIXJIER-QZTJIDSGSA-N 1 0 389.496 3.017 20 30 GGEDRO N#Cc1nnc2ccccc2c1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000265836295 1434270557 /nfs/dbraw/zinc/27/05/57/1434270557.db2.gz MBLSDYDOYFGIFM-UHFFFAOYSA-N 1 0 377.477 3.046 20 30 GGEDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265841827 1434271516 /nfs/dbraw/zinc/27/15/16/1434271516.db2.gz NZUOSVKQOOQGAW-DOTOQJQBSA-N 1 0 386.496 3.122 20 30 GGEDRO N#Cc1ccnc(N2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000265848229 1434272366 /nfs/dbraw/zinc/27/23/66/1434272366.db2.gz PMKQEQIVAYBXLP-UHFFFAOYSA-N 1 0 394.866 3.021 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000265866745 1434274970 /nfs/dbraw/zinc/27/49/70/1434274970.db2.gz UIVKHBIIYUYCFZ-UHFFFAOYSA-N 1 0 393.487 3.182 20 30 GGEDRO COc1ccc([C@H](CNc2c(C#N)nnc3ccccc32)[NH+](C)C)cc1OC ZINC000265866945 1434275181 /nfs/dbraw/zinc/27/51/81/1434275181.db2.gz HXRLXEYBRGPSLX-SFHVURJKSA-N 1 0 377.448 3.233 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCCOC(C)C)c1C#N ZINC000265874443 1434276310 /nfs/dbraw/zinc/27/63/10/1434276310.db2.gz NENZYSLBGYNDRB-UHFFFAOYSA-N 1 0 386.496 3.303 20 30 GGEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000265913084 1434281938 /nfs/dbraw/zinc/28/19/38/1434281938.db2.gz HRGQPWPBENMQNX-UHFFFAOYSA-N 1 0 394.475 3.237 20 30 GGEDRO Cn1cc(C(=O)C(C(=S)NC23CC4CC(CC(C4)C2)C3)[n+]2ccccc2)cn1 ZINC000265929416 1434284409 /nfs/dbraw/zinc/28/44/09/1434284409.db2.gz DEJFABOLWGFFMN-UHFFFAOYSA-O 1 0 395.552 3.205 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000265951750 1434287955 /nfs/dbraw/zinc/28/79/55/1434287955.db2.gz NQZPIGJHJHUPOV-JOCHJYFZSA-N 1 0 394.519 3.145 20 30 GGEDRO C#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000266361853 1434324919 /nfs/dbraw/zinc/32/49/19/1434324919.db2.gz DQUWUXUEPCUOCU-UHFFFAOYSA-N 1 0 382.439 3.019 20 30 GGEDRO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000266433746 1434336153 /nfs/dbraw/zinc/33/61/53/1434336153.db2.gz DQWFXLIIDYISOU-DLBZAZTESA-N 1 0 392.503 3.257 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)N(CCC#N)c1ccccc1 ZINC000266462413 1434339965 /nfs/dbraw/zinc/33/99/65/1434339965.db2.gz MLADPBOWYIFQTD-DLBZAZTESA-N 1 0 390.487 3.191 20 30 GGEDRO Cc1nc(C)c(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000266531144 1434346988 /nfs/dbraw/zinc/34/69/88/1434346988.db2.gz JEYWMUDCLNKGKS-UHFFFAOYSA-N 1 0 383.521 3.049 20 30 GGEDRO N#Cc1ccc(/C=C/C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000266551904 1434348930 /nfs/dbraw/zinc/34/89/30/1434348930.db2.gz OUPMVRGYKWDINA-YSESTWPTSA-N 1 0 389.499 3.133 20 30 GGEDRO N#Cc1ccc(/C=C/C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000266551902 1434349019 /nfs/dbraw/zinc/34/90/19/1434349019.db2.gz OUPMVRGYKWDINA-BREAQWACSA-N 1 0 389.499 3.133 20 30 GGEDRO NC(=[NH+]OCc1cc(-c2ccccc2)no1)c1ccc(N2CCC(O)CC2)cc1 ZINC000266614078 1434354585 /nfs/dbraw/zinc/35/45/85/1434354585.db2.gz IUXYMJVHMKEFOH-UHFFFAOYSA-N 1 0 392.459 3.140 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC3(C2)CCOCC3)c1C#N ZINC000266634211 1434356872 /nfs/dbraw/zinc/35/68/72/1434356872.db2.gz QVSPAPKJJVGCJX-UHFFFAOYSA-N 1 0 396.491 3.059 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000266860169 1434382674 /nfs/dbraw/zinc/38/26/74/1434382674.db2.gz YXNSSMKOYPTMPL-HXUWFJFHSA-N 1 0 378.476 3.025 20 30 GGEDRO [NH2+]=C(NCC[C@H]1C(=O)Nc2ccccc21)NCc1cccc(C(F)(F)F)c1 ZINC000266969154 1434394059 /nfs/dbraw/zinc/39/40/59/1434394059.db2.gz CZWHTFJOMALDSK-OAHLLOKOSA-N 1 0 376.382 3.236 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3ncc[nH]3)C1)CCCC2 ZINC000266970351 1434394197 /nfs/dbraw/zinc/39/41/97/1434394197.db2.gz ZWBBKNHHWVYGOX-CQSZACIVSA-N 1 0 383.521 3.430 20 30 GGEDRO CCNC(=O)c1cccc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c1 ZINC000266994384 1434396968 /nfs/dbraw/zinc/39/69/68/1434396968.db2.gz WXJFSMHXWFFVQT-UHFFFAOYSA-N 1 0 378.398 3.060 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000267067356 1434404638 /nfs/dbraw/zinc/40/46/38/1434404638.db2.gz RPWTUHPVJAEEMA-GOSISDBHSA-N 1 0 393.597 3.130 20 30 GGEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2=O)c1 ZINC000267114431 1434408324 /nfs/dbraw/zinc/40/83/24/1434408324.db2.gz RWENDACGJICDHT-YCRPNKLZSA-N 1 0 395.459 3.062 20 30 GGEDRO C[NH+](C)C1CCN(CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000267229544 1434415389 /nfs/dbraw/zinc/41/53/89/1434415389.db2.gz VISVSHWFKJHDKE-UHFFFAOYSA-N 1 0 389.450 3.146 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000267310992 1434421737 /nfs/dbraw/zinc/42/17/37/1434421737.db2.gz IEPYKJPIXVQXPO-GCJKJVERSA-N 1 0 392.503 3.299 20 30 GGEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)N(CCC#N)CCC[NH+](C)C)n2)C1 ZINC000267335760 1434423746 /nfs/dbraw/zinc/42/37/46/1434423746.db2.gz BRKPUCIZDHEJJH-MRXNPFEDSA-N 1 0 392.573 3.074 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCCc2nc(C(C)(C)C)cs2)cc1OC ZINC000267383620 1434427993 /nfs/dbraw/zinc/42/79/93/1434427993.db2.gz BBYSFEDNIHOGNT-UHFFFAOYSA-N 1 0 376.526 3.105 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1cc(C)c(F)cc1F)[n+]1cccc(CO)c1 ZINC000267398968 1434429167 /nfs/dbraw/zinc/42/91/67/1434429167.db2.gz WQJFHOZHKXZSRM-UHFFFAOYSA-O 1 0 393.479 3.382 20 30 GGEDRO CC(C)OCCOCc1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000267399700 1434429298 /nfs/dbraw/zinc/42/92/98/1434429298.db2.gz OCUJOWCRMOGNGI-UHFFFAOYSA-N 1 0 390.528 3.327 20 30 GGEDRO CCOCCOc1c(Cl)cccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000267435593 1434432831 /nfs/dbraw/zinc/43/28/31/1434432831.db2.gz WBZCVCOLODRWHL-UHFFFAOYSA-N 1 0 396.919 3.455 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(CO)c2)ccc1F ZINC000267489241 1434440188 /nfs/dbraw/zinc/44/01/88/1434440188.db2.gz WHHJHKQWWXPHQK-UHFFFAOYSA-O 1 0 375.489 3.241 20 30 GGEDRO Cn1c2ccccc2nc1[C@H]1CCCN1C[C@H](O)COc1ccc(C#N)cc1 ZINC000267548885 1434445046 /nfs/dbraw/zinc/44/50/46/1434445046.db2.gz OXHGLJPAUAEGGR-LAUBAEHRSA-N 1 0 376.460 3.022 20 30 GGEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000267546849 1434445169 /nfs/dbraw/zinc/44/51/69/1434445169.db2.gz BUIIEYROPCAYKZ-CZUORRHYSA-N 1 0 385.489 3.402 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000267566013 1434446260 /nfs/dbraw/zinc/44/62/60/1434446260.db2.gz BZBMKCCVBQOTSR-OAQYLSRUSA-N 1 0 392.503 3.162 20 30 GGEDRO CN(C)C(=O)Sc1cccc(CN2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000267668143 1434454057 /nfs/dbraw/zinc/45/40/57/1434454057.db2.gz YKEWGWDRZUJQRZ-UHFFFAOYSA-N 1 0 381.505 3.049 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1csc([C@@H](C)OC)n1)C(C)C ZINC000267732097 1434459334 /nfs/dbraw/zinc/45/93/34/1434459334.db2.gz ADTRXUMAIZPKPQ-WBVHZDCISA-N 1 0 380.558 3.348 20 30 GGEDRO CCNC(=S)C(C(=O)c1cc(F)c(C)cc1F)[n+]1ccc(N(C)C)cc1 ZINC000267850967 1434470746 /nfs/dbraw/zinc/47/07/46/1434470746.db2.gz FKSBYIJLWNBVJF-UHFFFAOYSA-O 1 0 378.468 3.175 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1cc(F)c(C)cc1F)[n+]1cccc(CO)c1 ZINC000267866656 1434472064 /nfs/dbraw/zinc/47/20/64/1434472064.db2.gz KFXKYDHWNSBIEJ-UHFFFAOYSA-O 1 0 393.479 3.382 20 30 GGEDRO Cc1cc(F)c(C(=O)C(C(=S)NC2CC2)[n+]2ccc(N(C)C)cc2)cc1F ZINC000267873530 1434472576 /nfs/dbraw/zinc/47/25/76/1434472576.db2.gz MDQRIDXZLWUWMT-UHFFFAOYSA-O 1 0 390.479 3.318 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC)[C@@H](O)c2c(F)cccc2F)CC1 ZINC000268066588 1434492424 /nfs/dbraw/zinc/49/24/24/1434492424.db2.gz VHDKIQHRAASFFE-IEBWSBKVSA-N 1 0 381.467 3.117 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC)[C@@H](O)c2c(F)cccc2F)CC1 ZINC000268066590 1434492547 /nfs/dbraw/zinc/49/25/47/1434492547.db2.gz VHDKIQHRAASFFE-PKOBYXMFSA-N 1 0 381.467 3.117 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC)[C@H](O)c2c(F)cccc2F)CC1 ZINC000268066587 1434492576 /nfs/dbraw/zinc/49/25/76/1434492576.db2.gz VHDKIQHRAASFFE-HKUYNNGSSA-N 1 0 381.467 3.117 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3ccccc3[C@@H]1CO)CCC2 ZINC000268086356 1434493654 /nfs/dbraw/zinc/49/36/54/1434493654.db2.gz HSVMOJVYAGNWPW-SFHVURJKSA-N 1 0 381.501 3.029 20 30 GGEDRO COCCOCC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000268378358 1434517001 /nfs/dbraw/zinc/51/70/01/1434517001.db2.gz XRQUZNDQWUHCGJ-UHFFFAOYSA-N 1 0 381.476 3.052 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C3(C)OCCO3)CC2)cc1 ZINC000268423503 1434521362 /nfs/dbraw/zinc/52/13/62/1434521362.db2.gz BQMXYLNXQLDGRB-SFHVURJKSA-N 1 0 385.508 3.105 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000268661413 1434545125 /nfs/dbraw/zinc/54/51/25/1434545125.db2.gz RJAWJAFKBLEFAT-AWEZNQCLSA-N 1 0 387.459 3.195 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)nc2)CC1 ZINC000268695193 1434548027 /nfs/dbraw/zinc/54/80/27/1434548027.db2.gz FXKROTUJFIRUFP-UHFFFAOYSA-N 1 0 385.418 3.014 20 30 GGEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269098269 1434591904 /nfs/dbraw/zinc/59/19/04/1434591904.db2.gz NBKJCCWJJUJWLI-UHFFFAOYSA-N 1 0 398.894 3.307 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000269140625 1434596706 /nfs/dbraw/zinc/59/67/06/1434596706.db2.gz OCKGGZVJDNETCN-ZWKOTPCHSA-N 1 0 376.888 3.101 20 30 GGEDRO CC(C)Oc1ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1C#N ZINC000269363587 1434631084 /nfs/dbraw/zinc/63/10/84/1434631084.db2.gz DKBADEOTCHTSBF-UHFFFAOYSA-N 1 0 386.496 3.112 20 30 GGEDRO CN(CCC#N)c1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cc1 ZINC000269520151 1434656077 /nfs/dbraw/zinc/65/60/77/1434656077.db2.gz RUXDCYCKUPJUKW-OAQYLSRUSA-N 1 0 378.524 3.184 20 30 GGEDRO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000269604366 1434663036 /nfs/dbraw/zinc/66/30/36/1434663036.db2.gz LNRYKMNOFNDBII-OAHLLOKOSA-N 1 0 379.464 3.309 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)CSCC[NH+](CC)CC)cc1C#N ZINC000269809584 1434677393 /nfs/dbraw/zinc/67/73/93/1434677393.db2.gz UKEODNIBJOOKJO-UHFFFAOYSA-N 1 0 378.498 3.140 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1C#N ZINC000269856507 1434681977 /nfs/dbraw/zinc/68/19/77/1434681977.db2.gz SOCXIMXMMZNNTM-UHFFFAOYSA-N 1 0 385.468 3.219 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000269951634 1434689619 /nfs/dbraw/zinc/68/96/19/1434689619.db2.gz JDUVBWCHRIIOLJ-XWDORNJCSA-N 1 0 397.519 3.268 20 30 GGEDRO C=C(C)[C@@H](CC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)OCC ZINC000270017259 1434693576 /nfs/dbraw/zinc/69/35/76/1434693576.db2.gz CPZYUIYRCWQWQK-HXUWFJFHSA-N 1 0 378.488 3.156 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000270289404 1434720039 /nfs/dbraw/zinc/72/00/39/1434720039.db2.gz ZLFJFKJDWSLMRY-MRXNPFEDSA-N 1 0 399.495 3.322 20 30 GGEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CC1 ZINC000270309529 1434722013 /nfs/dbraw/zinc/72/20/13/1434722013.db2.gz GVPNPXLATAJCFP-UHFFFAOYSA-N 1 0 391.475 3.221 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(CC#N)cc1 ZINC000270314062 1434722316 /nfs/dbraw/zinc/72/23/16/1434722316.db2.gz GMPZJVAWEKMFNN-UHFFFAOYSA-N 1 0 378.476 3.155 20 30 GGEDRO C[C@H](NC(=O)c1ccc(CC#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000270340634 1434724777 /nfs/dbraw/zinc/72/47/77/1434724777.db2.gz LBPGRAVNNMEZRR-INIZCTEOSA-N 1 0 380.467 3.135 20 30 GGEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cc1cccc(OCC#N)c1 ZINC000270507362 1434739873 /nfs/dbraw/zinc/73/98/73/1434739873.db2.gz OTMJHDGXBZQGEH-UHFFFAOYSA-N 1 0 385.430 3.254 20 30 GGEDRO COCC[N@H+](C)CCCC1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000270972935 1434792123 /nfs/dbraw/zinc/79/21/23/1434792123.db2.gz ROWSAXXGGTXCDX-UHFFFAOYSA-N 1 0 389.565 3.247 20 30 GGEDRO Cc1nn2c(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)c(C)nc2s1 ZINC000271058188 1434799265 /nfs/dbraw/zinc/79/92/65/1434799265.db2.gz CLKSFVJGUWFELD-UHFFFAOYSA-N 1 0 382.493 3.154 20 30 GGEDRO C#CC[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1 ZINC000271113958 1434802847 /nfs/dbraw/zinc/80/28/47/1434802847.db2.gz JMHIBWCRNOJETC-QHCPKHFHSA-N 1 0 376.500 3.385 20 30 GGEDRO COc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc2c1OCO2 ZINC000271140710 1434804407 /nfs/dbraw/zinc/80/44/07/1434804407.db2.gz AJFACPAVAMBOJY-UHFFFAOYSA-N 1 0 393.443 3.146 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)c1 ZINC000271142992 1434804571 /nfs/dbraw/zinc/80/45/71/1434804571.db2.gz BJROGKMYQMHLHQ-UHFFFAOYSA-N 1 0 386.459 3.194 20 30 GGEDRO CCc1nn(C)c(CC)c1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271160388 1434805358 /nfs/dbraw/zinc/80/53/58/1434805358.db2.gz ITVHFZNEQQSMDA-UHFFFAOYSA-N 1 0 379.508 3.267 20 30 GGEDRO COCCOc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271178012 1434806593 /nfs/dbraw/zinc/80/65/93/1434806593.db2.gz NXNHOQMTDPJJLM-UHFFFAOYSA-N 1 0 393.487 3.434 20 30 GGEDRO CC(=O)Nc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000271193532 1434807544 /nfs/dbraw/zinc/80/75/44/1434807544.db2.gz SVMZNISWJADUJL-UHFFFAOYSA-N 1 0 376.460 3.367 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)c1 ZINC000271197688 1434807679 /nfs/dbraw/zinc/80/76/79/1434807679.db2.gz VGCZBBIOTGCWTO-UHFFFAOYSA-N 1 0 389.503 3.404 20 30 GGEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000271426657 1434823642 /nfs/dbraw/zinc/82/36/42/1434823642.db2.gz COUNNFXFSVUPGA-PGRDOPGGSA-N 1 0 398.528 3.123 20 30 GGEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(c4ccccn4)CC3)CC2)nc1 ZINC000271429921 1434824065 /nfs/dbraw/zinc/82/40/65/1434824065.db2.gz DAFRPTKIYSJVGO-UHFFFAOYSA-N 1 0 377.492 3.297 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](OC)c2ccc(OC)cc2)CC1 ZINC000271434334 1434824500 /nfs/dbraw/zinc/82/45/00/1434824500.db2.gz BRRGQLNIFOAYOI-UZLBHIALSA-N 1 0 375.513 3.111 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](OC)c2ccc(OC)cc2)CC1 ZINC000271434330 1434824515 /nfs/dbraw/zinc/82/45/15/1434824515.db2.gz BRRGQLNIFOAYOI-JXFKEZNVSA-N 1 0 375.513 3.111 20 30 GGEDRO C=CCN(C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CC1 ZINC000271573954 1434836225 /nfs/dbraw/zinc/83/62/25/1434836225.db2.gz QFZDYGWRHRUAQF-UHFFFAOYSA-N 1 0 387.524 3.036 20 30 GGEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc(OC)c1OC ZINC000271626787 1434839908 /nfs/dbraw/zinc/83/99/08/1434839908.db2.gz AYCATUOUZHRABY-MRXNPFEDSA-N 1 0 397.475 3.310 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000271642146 1434841241 /nfs/dbraw/zinc/84/12/41/1434841241.db2.gz CPXSVPSBQYWYTA-QZTJIDSGSA-N 1 0 380.492 3.319 20 30 GGEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000271697558 1434844841 /nfs/dbraw/zinc/84/48/41/1434844841.db2.gz GOBPGGFLQHUIRB-NRFANRHFSA-N 1 0 385.552 3.389 20 30 GGEDRO COc1cc([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)ccc1OCC(C)C ZINC000271704675 1434845145 /nfs/dbraw/zinc/84/51/45/1434845145.db2.gz UUNQQIITIFCINN-KRWDZBQOSA-N 1 0 386.496 3.037 20 30 GGEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)ccc1OCC(C)C ZINC000271704677 1434845251 /nfs/dbraw/zinc/84/52/51/1434845251.db2.gz UUNQQIITIFCINN-QGZVFWFLSA-N 1 0 386.496 3.037 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000271738498 1434847276 /nfs/dbraw/zinc/84/72/76/1434847276.db2.gz UUAMZPCWBAFPQI-NRFANRHFSA-N 1 0 376.460 3.052 20 30 GGEDRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1OC ZINC000271766217 1434848923 /nfs/dbraw/zinc/84/89/23/1434848923.db2.gz ISQSPMMFVJTOHZ-INIZCTEOSA-N 1 0 393.487 3.340 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)CC(=O)N2C ZINC000271793314 1434851063 /nfs/dbraw/zinc/85/10/63/1434851063.db2.gz IOZXAXABHFRSOO-GFCCVEGCSA-N 1 0 382.851 3.020 20 30 GGEDRO COCCN(CC[NH2+][C@H](C)c1ccc(OCC#N)cc1)C(=O)OC(C)(C)C ZINC000271850153 1434854656 /nfs/dbraw/zinc/85/46/56/1434854656.db2.gz IOOSWSCOLYQMAP-MRXNPFEDSA-N 1 0 377.485 3.123 20 30 GGEDRO COCCN(CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C(=O)OC(C)(C)C ZINC000271850150 1434854698 /nfs/dbraw/zinc/85/46/98/1434854698.db2.gz IOOSWSCOLYQMAP-INIZCTEOSA-N 1 0 377.485 3.123 20 30 GGEDRO COc1cc(O)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000271851364 1434854741 /nfs/dbraw/zinc/85/47/41/1434854741.db2.gz SYXNLWBEBZLDOS-UHFFFAOYSA-N 1 0 383.448 3.156 20 30 GGEDRO COc1cccc(N2CC[C@@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)c1 ZINC000271862220 1434855639 /nfs/dbraw/zinc/85/56/39/1434855639.db2.gz KSGXBLNDRVWCON-JOCHJYFZSA-N 1 0 390.531 3.400 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](CO)Cc3ccc(F)cc3)CC2)cc1 ZINC000271870477 1434855955 /nfs/dbraw/zinc/85/59/55/1434855955.db2.gz MOQJMYPBZPLACP-OAQYLSRUSA-N 1 0 381.495 3.103 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271909448 1434858539 /nfs/dbraw/zinc/85/85/39/1434858539.db2.gz AFQGXIARPRGXCH-ZIAGYGMSSA-N 1 0 375.469 3.359 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271909444 1434858617 /nfs/dbraw/zinc/85/86/17/1434858617.db2.gz AFQGXIARPRGXCH-KGLIPLIRSA-N 1 0 375.469 3.359 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917372 1434859117 /nfs/dbraw/zinc/85/91/17/1434859117.db2.gz ZGQWVRSROSMQKB-QTGUNEKASA-N 1 0 379.504 3.123 20 30 GGEDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271931874 1434860128 /nfs/dbraw/zinc/86/01/28/1434860128.db2.gz IODUBHAURRWSNU-INIZCTEOSA-N 1 0 380.467 3.217 20 30 GGEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271988009 1434863862 /nfs/dbraw/zinc/86/38/62/1434863862.db2.gz YRELCNHKHIWMNK-OAHLLOKOSA-N 1 0 387.480 3.333 20 30 GGEDRO Cc1cc(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)nn1CCC#N ZINC000272035701 1434867660 /nfs/dbraw/zinc/86/76/60/1434867660.db2.gz FDGZEURIXZPEMA-UHFFFAOYSA-N 1 0 382.512 3.134 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1cccc(OC)c1 ZINC000272055906 1434869264 /nfs/dbraw/zinc/86/92/64/1434869264.db2.gz HZSASZMVLVJELH-LJQANCHMSA-N 1 0 398.511 3.318 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272059976 1434869407 /nfs/dbraw/zinc/86/94/07/1434869407.db2.gz IRQUYGCYODSMQA-FQEVSTJZSA-N 1 0 394.523 3.481 20 30 GGEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1CCC#N ZINC000272081308 1434870827 /nfs/dbraw/zinc/87/08/27/1434870827.db2.gz LQSJZONZMDNQII-VQIMIIECSA-N 1 0 380.496 3.137 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272090714 1434871662 /nfs/dbraw/zinc/87/16/62/1434871662.db2.gz NBPIKMOLZINHIQ-IBGZPJMESA-N 1 0 395.511 3.019 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)Nc2cc(C)n(CCC#N)n2)[NH+]2CCCC2)c1 ZINC000272126497 1434873787 /nfs/dbraw/zinc/87/37/87/1434873787.db2.gz UBNHMLBESZNRPX-LJQANCHMSA-N 1 0 396.495 3.072 20 30 GGEDRO CC(C)C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272139233 1434874291 /nfs/dbraw/zinc/87/42/91/1434874291.db2.gz UJCRCRDGSPIFMK-RTWAWAEBSA-N 1 0 386.540 3.225 20 30 GGEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc(N4CCCCC4)nc3)CC2)c1 ZINC000272217750 1434878730 /nfs/dbraw/zinc/87/87/30/1434878730.db2.gz FJCXNMBMNZBHPE-UHFFFAOYSA-N 1 0 375.476 3.161 20 30 GGEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000272294248 1434884988 /nfs/dbraw/zinc/88/49/88/1434884988.db2.gz QJXJXDMWDCHBGP-MRXNPFEDSA-N 1 0 381.501 3.438 20 30 GGEDRO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000272309331 1434886268 /nfs/dbraw/zinc/88/62/68/1434886268.db2.gz FSASBCHCXXRXPI-UYAOXDASSA-N 1 0 377.529 3.157 20 30 GGEDRO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272394874 1434893592 /nfs/dbraw/zinc/89/35/92/1434893592.db2.gz AGGGCNSZHWAHRZ-LJQANCHMSA-N 1 0 398.507 3.043 20 30 GGEDRO C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272471212 1434898735 /nfs/dbraw/zinc/89/87/35/1434898735.db2.gz TUIUMVBYXWMWGW-WIYYLYMNSA-N 1 0 392.503 3.299 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(CCC(F)(F)F)CC3)C2=O)cc1 ZINC000272485835 1434899738 /nfs/dbraw/zinc/89/97/38/1434899738.db2.gz BRFWBTMVSCWSCM-SFHVURJKSA-N 1 0 394.441 3.060 20 30 GGEDRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000272595669 1434912602 /nfs/dbraw/zinc/91/26/02/1434912602.db2.gz SSBPFVWSBAKQIZ-KBXCAEBGSA-N 1 0 398.532 3.358 20 30 GGEDRO COCC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000272613719 1434915095 /nfs/dbraw/zinc/91/50/95/1434915095.db2.gz VXKRDJYLJQVNJL-HXUWFJFHSA-N 1 0 396.491 3.146 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000272864371 1434937152 /nfs/dbraw/zinc/93/71/52/1434937152.db2.gz NNJJSVDBQZGJBE-WBVHZDCISA-N 1 0 385.501 3.025 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000272893896 1434939166 /nfs/dbraw/zinc/93/91/66/1434939166.db2.gz TXJNMEABLHOHOU-QGZVFWFLSA-N 1 0 399.516 3.165 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCCCCC(=O)OCc2ccccc2)cc1OC ZINC000272892355 1434939235 /nfs/dbraw/zinc/93/92/35/1434939235.db2.gz IYIJIXRPSPODSL-UHFFFAOYSA-N 1 0 399.491 3.022 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000272921269 1434941272 /nfs/dbraw/zinc/94/12/72/1434941272.db2.gz YCEGHZOHXSKDAM-INIZCTEOSA-N 1 0 392.546 3.387 20 30 GGEDRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000272930023 1434941815 /nfs/dbraw/zinc/94/18/15/1434941815.db2.gz ZIYXYUXPJFRYFP-XLIONFOSSA-N 1 0 385.508 3.201 20 30 GGEDRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000272983353 1434946607 /nfs/dbraw/zinc/94/66/07/1434946607.db2.gz LJTCPHVPXCLASO-VGSWGCGISA-N 1 0 392.503 3.075 20 30 GGEDRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000272983349 1434946620 /nfs/dbraw/zinc/94/66/20/1434946620.db2.gz LJTCPHVPXCLASO-VGOFRKELSA-N 1 0 392.503 3.075 20 30 GGEDRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000272983343 1434946623 /nfs/dbraw/zinc/94/66/23/1434946623.db2.gz LJTCPHVPXCLASO-HTAPYJJXSA-N 1 0 392.503 3.075 20 30 GGEDRO CC(C)[C@@H]1C[C@H](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273040042 1434953801 /nfs/dbraw/zinc/95/38/01/1434953801.db2.gz ZIUUJJRTJXTKCF-YADHBBJMSA-N 1 0 383.536 3.434 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1C#N ZINC000273060107 1434956304 /nfs/dbraw/zinc/95/63/04/1434956304.db2.gz ZXOCFXFYFBTCFF-MSOLQXFVSA-N 1 0 398.507 3.361 20 30 GGEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000273125241 1434964124 /nfs/dbraw/zinc/96/41/24/1434964124.db2.gz UCHAKVCBWFQYSU-SFHVURJKSA-N 1 0 393.487 3.353 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](C)c2cnn(C)c2)c1C#N ZINC000273266323 1434976644 /nfs/dbraw/zinc/97/66/44/1434976644.db2.gz FTRMIBIIEZRMEV-CQSZACIVSA-N 1 0 394.454 3.128 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](C)c2cnn(C)c2)c1C#N ZINC000273266320 1434976683 /nfs/dbraw/zinc/97/66/83/1434976683.db2.gz FTRMIBIIEZRMEV-AWEZNQCLSA-N 1 0 394.454 3.128 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000273279657 1434977703 /nfs/dbraw/zinc/97/77/03/1434977703.db2.gz NSJZPHMEDBSXSI-CABCVRRESA-N 1 0 380.414 3.443 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@H](C)c1ccccc1C(F)(F)F ZINC000273279665 1434977709 /nfs/dbraw/zinc/97/77/09/1434977709.db2.gz NSJZPHMEDBSXSI-LSDHHAIUSA-N 1 0 380.414 3.443 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCCCc2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000273334433 1434981635 /nfs/dbraw/zinc/98/16/35/1434981635.db2.gz KRULJYXTJJMMKG-UHFFFAOYSA-N 1 0 399.426 3.252 20 30 GGEDRO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273392089 1434985763 /nfs/dbraw/zinc/98/57/63/1434985763.db2.gz FJMYIFGICYZQOK-RTWAWAEBSA-N 1 0 381.451 3.166 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273429882 1434988301 /nfs/dbraw/zinc/98/83/01/1434988301.db2.gz UIYJSGJKVBOODZ-UXHICEINSA-N 1 0 375.488 3.386 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273468177 1434990684 /nfs/dbraw/zinc/99/06/84/1434990684.db2.gz FEXVVPOEAHFCSO-UKRRQHHQSA-N 1 0 392.525 3.183 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273468175 1434990734 /nfs/dbraw/zinc/99/07/34/1434990734.db2.gz FEXVVPOEAHFCSO-HIFRSBDPSA-N 1 0 392.525 3.183 20 30 GGEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(OCC(=O)N(C(C)C)C(C)C)c(OCC)c1 ZINC000273479686 1434991401 /nfs/dbraw/zinc/99/14/01/1434991401.db2.gz LCBNUSJOSQRPJU-LJQANCHMSA-N 1 0 392.540 3.136 20 30 GGEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(OCC(=O)N(C(C)C)C(C)C)c(OCC)c1 ZINC000273479683 1434991437 /nfs/dbraw/zinc/99/14/37/1434991437.db2.gz LCBNUSJOSQRPJU-IBGZPJMESA-N 1 0 392.540 3.136 20 30 GGEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1 ZINC000273542086 1434995630 /nfs/dbraw/zinc/99/56/30/1434995630.db2.gz XGFZLMPJXHNDLR-LJQANCHMSA-N 1 0 384.476 3.129 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000273854005 1435021814 /nfs/dbraw/zinc/02/18/14/1435021814.db2.gz GJGDTWXDEXDSQN-AWEZNQCLSA-N 1 0 379.420 3.084 20 30 GGEDRO Cc1cc(C#N)ccc1-c1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000273888389 1435025486 /nfs/dbraw/zinc/02/54/86/1435025486.db2.gz OGAQSYWVXAAYFA-LJQANCHMSA-N 1 0 387.443 3.033 20 30 GGEDRO C[NH+](C)CCOc1cccc(-c2noc(Cc3cccc(OCC#N)c3)n2)c1 ZINC000273919949 1435028815 /nfs/dbraw/zinc/02/88/15/1435028815.db2.gz QOADILRGDVSAFT-UHFFFAOYSA-N 1 0 378.432 3.170 20 30 GGEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(/C=C/c4ccc(C#N)cc4)n3)cn2)CC1 ZINC000274097343 1435043491 /nfs/dbraw/zinc/04/34/91/1435043491.db2.gz YWVSWDGIIJIHJU-JXMROGBWSA-N 1 0 386.459 3.316 20 30 GGEDRO C#CC[N@@H+](CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)C1CC1 ZINC000274227622 1435053077 /nfs/dbraw/zinc/05/30/77/1435053077.db2.gz WDNQABPILNMSNR-UHFFFAOYSA-N 1 0 391.471 3.374 20 30 GGEDRO Cc1ncc(CO)c(/C=N/C[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1O ZINC000274344205 1435063514 /nfs/dbraw/zinc/06/35/14/1435063514.db2.gz BWAIFMDHAICGJG-WFBSDAATSA-N 1 0 381.398 3.329 20 30 GGEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796721 1435093470 /nfs/dbraw/zinc/09/34/70/1435093470.db2.gz DHEJYKRTBLRVFC-WFXMLNOXSA-N 1 0 376.504 3.385 20 30 GGEDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000274810789 1435094630 /nfs/dbraw/zinc/09/46/30/1435094630.db2.gz XSYONTOJBXPCGP-CYBMUJFWSA-N 1 0 391.443 3.227 20 30 GGEDRO Cc1cc(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)nn1CCC#N ZINC000274869946 1435099524 /nfs/dbraw/zinc/09/95/24/1435099524.db2.gz WYVIPGYEUUYJBI-LJQANCHMSA-N 1 0 380.496 3.137 20 30 GGEDRO Cc1oc(NC(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274881118 1435100656 /nfs/dbraw/zinc/10/06/56/1435100656.db2.gz ZRVCNWLYYCXPNT-YWZLYKJASA-N 1 0 380.492 3.207 20 30 GGEDRO C=CCc1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc(OC)c1O ZINC000274893011 1435101467 /nfs/dbraw/zinc/10/14/67/1435101467.db2.gz FDPGBSQERLRUKC-UHFFFAOYSA-N 1 0 382.508 3.437 20 30 GGEDRO COc1ccc([C@H](NC(=O)N(CCC#N)CCC[NH+](C)C)C(F)(F)F)cc1 ZINC000274944763 1435105159 /nfs/dbraw/zinc/10/51/59/1435105159.db2.gz REKGFYPNKGZVLD-INIZCTEOSA-N 1 0 386.418 3.176 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc3cc(Cl)ccc3n2C)CC1 ZINC000274974478 1435107185 /nfs/dbraw/zinc/10/71/85/1435107185.db2.gz CVZPULINESABPY-UHFFFAOYSA-N 1 0 375.904 3.066 20 30 GGEDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000275071708 1435114375 /nfs/dbraw/zinc/11/43/75/1435114375.db2.gz AEYYYIBEDFVWGR-CYBMUJFWSA-N 1 0 378.316 3.057 20 30 GGEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)ccc1OC ZINC000275154136 1435119361 /nfs/dbraw/zinc/11/93/61/1435119361.db2.gz UQATZDZZPGGDPB-HNNXBMFYSA-N 1 0 386.414 3.151 20 30 GGEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000275247942 1435125568 /nfs/dbraw/zinc/12/55/68/1435125568.db2.gz PUUZOLQZGCIOEB-OALUTQOASA-N 1 0 384.480 3.104 20 30 GGEDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000275614077 1435152925 /nfs/dbraw/zinc/15/29/25/1435152925.db2.gz ISNFUIXPMCPDSK-UHFFFAOYSA-N 1 0 395.482 3.156 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1C#N ZINC000275618451 1435153265 /nfs/dbraw/zinc/15/32/65/1435153265.db2.gz JLGQGLXBCIQLCG-MRXNPFEDSA-N 1 0 399.495 3.466 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1OCCCC#N ZINC000275620711 1435153570 /nfs/dbraw/zinc/15/35/70/1435153570.db2.gz ROIJAAUVVMSPRP-GHTZIAJQSA-N 1 0 384.480 3.121 20 30 GGEDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000275679412 1435158991 /nfs/dbraw/zinc/15/89/91/1435158991.db2.gz PWJCUZFKQHIASN-UHFFFAOYSA-N 1 0 377.492 3.016 20 30 GGEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000275886475 1435177258 /nfs/dbraw/zinc/17/72/58/1435177258.db2.gz FDEFSKDLUVPQDH-UHFFFAOYSA-N 1 0 395.503 3.114 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(Cl)c1 ZINC000276052052 1435187886 /nfs/dbraw/zinc/18/78/86/1435187886.db2.gz BLQBOBQDZZNRFX-UHFFFAOYSA-N 1 0 396.878 3.427 20 30 GGEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000276176926 1435195783 /nfs/dbraw/zinc/19/57/83/1435195783.db2.gz JRQIJMZKCGMAKI-INIZCTEOSA-N 1 0 383.517 3.281 20 30 GGEDRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000276274141 1435201320 /nfs/dbraw/zinc/20/13/20/1435201320.db2.gz YHBOFWOXFCMVFS-HNNXBMFYSA-N 1 0 396.919 3.453 20 30 GGEDRO C=C[C@](C)(CCOC)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000276341066 1435206045 /nfs/dbraw/zinc/20/60/45/1435206045.db2.gz YURRGTSXSAEGPA-HSZRJFAPSA-N 1 0 388.552 3.403 20 30 GGEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000276384806 1435208369 /nfs/dbraw/zinc/20/83/69/1435208369.db2.gz OTKQANQJUKHUBU-INIZCTEOSA-N 1 0 378.476 3.216 20 30 GGEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000276384811 1435208377 /nfs/dbraw/zinc/20/83/77/1435208377.db2.gz OTKQANQJUKHUBU-MRXNPFEDSA-N 1 0 378.476 3.216 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276486962 1435214036 /nfs/dbraw/zinc/21/40/36/1435214036.db2.gz ZTJTWEGAHLXEMQ-UHFFFAOYSA-N 1 0 395.503 3.146 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277125867 1435264960 /nfs/dbraw/zinc/26/49/60/1435264960.db2.gz NXLGVBZLUJTUBV-FQEVSTJZSA-N 1 0 384.524 3.449 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000277176878 1435273819 /nfs/dbraw/zinc/27/38/19/1435273819.db2.gz GPBOUDMAQMBNHG-UHFFFAOYSA-N 1 0 379.489 3.214 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000277216402 1435279564 /nfs/dbraw/zinc/27/95/64/1435279564.db2.gz LARHBFATPNEFBF-UHFFFAOYSA-N 1 0 379.489 3.214 20 30 GGEDRO Cc1noc(C[C@H]([NH2+]CC(=O)N(CCC#N)c2ccccc2)c2ccccc2)n1 ZINC000277285579 1435289581 /nfs/dbraw/zinc/28/95/81/1435289581.db2.gz SOTSLZBYKLUPGC-FQEVSTJZSA-N 1 0 389.459 3.198 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+](C)C)CC2)ccc1Cl ZINC000277315634 1435293161 /nfs/dbraw/zinc/29/31/61/1435293161.db2.gz UVTYXWSFHWHBDO-KRWDZBQOSA-N 1 0 376.932 3.311 20 30 GGEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000277463974 1435306344 /nfs/dbraw/zinc/30/63/44/1435306344.db2.gz HEVMDCZHHIPVPQ-UHFFFAOYSA-N 1 0 390.487 3.144 20 30 GGEDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2-c2ccccc2C#N)CCCO1 ZINC000277523422 1435310372 /nfs/dbraw/zinc/31/03/72/1435310372.db2.gz LEOVQQZHGCIPFV-GOSISDBHSA-N 1 0 377.488 3.456 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000277971460 1435346997 /nfs/dbraw/zinc/34/69/97/1435346997.db2.gz UXINTRFBXCDJGJ-UHFFFAOYSA-N 1 0 396.535 3.497 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C(=O)OC)cc1)C(=S)NC(C)C ZINC000278144510 1435364099 /nfs/dbraw/zinc/36/40/99/1435364099.db2.gz BBXAYABYHYROKU-UHFFFAOYSA-O 1 0 385.509 3.260 20 30 GGEDRO CN(C)c1cc[n+](C(C(=O)c2nccs2)C(=S)NC2CCCCC2)cc1 ZINC000278178230 1435366849 /nfs/dbraw/zinc/36/68/49/1435366849.db2.gz DYQRSEUTJNZBGO-UHFFFAOYSA-O 1 0 389.570 3.358 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccc(C)cc1 ZINC000278234639 1435372082 /nfs/dbraw/zinc/37/20/82/1435372082.db2.gz KQUMYCUXRLRIRQ-OAHLLOKOSA-O 1 0 385.509 3.396 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1ccccc1CC ZINC000278383600 1435386063 /nfs/dbraw/zinc/38/60/63/1435386063.db2.gz ZHKVDEYVXFUHKM-UHFFFAOYSA-O 1 0 385.509 3.262 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c(-c2ccncc2)n1 ZINC000278550065 1435399387 /nfs/dbraw/zinc/39/93/87/1435399387.db2.gz BHDIDMBPDNEPLS-IBGZPJMESA-N 1 0 399.857 3.474 20 30 GGEDRO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278557241 1435400062 /nfs/dbraw/zinc/40/00/62/1435400062.db2.gz CAVQKVZIGCNMEI-UHFFFAOYSA-N 1 0 388.475 3.204 20 30 GGEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C1CCCCC1 ZINC000278583210 1435402512 /nfs/dbraw/zinc/40/25/12/1435402512.db2.gz GAGAVROLIIUAMA-OAQYLSRUSA-N 1 0 380.540 3.459 20 30 GGEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C1CCCCC1 ZINC000278583207 1435402584 /nfs/dbraw/zinc/40/25/84/1435402584.db2.gz GAGAVROLIIUAMA-NRFANRHFSA-N 1 0 380.540 3.459 20 30 GGEDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278606764 1435404910 /nfs/dbraw/zinc/40/49/10/1435404910.db2.gz IGDYLSMOVKTYPG-KRWDZBQOSA-N 1 0 391.475 3.424 20 30 GGEDRO C[C@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)NC(=O)OC(C)(C)C ZINC000278612208 1435405621 /nfs/dbraw/zinc/40/56/21/1435405621.db2.gz ITTYVXIFTBXVBM-MRXNPFEDSA-N 1 0 398.511 3.252 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000278614267 1435405886 /nfs/dbraw/zinc/40/58/86/1435405886.db2.gz IYZSUZIKXITTCG-JOCHJYFZSA-N 1 0 386.503 3.223 20 30 GGEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N(C)Cc1ccccc1 ZINC000278619281 1435406388 /nfs/dbraw/zinc/40/63/88/1435406388.db2.gz JPYPAIZXCGGRGG-LJQANCHMSA-N 1 0 388.519 3.469 20 30 GGEDRO C=CCSc1ccccc1NC(=O)CN1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278629114 1435407357 /nfs/dbraw/zinc/40/73/57/1435407357.db2.gz KTHNKGIZCMKOBS-QGZVFWFLSA-N 1 0 389.565 3.088 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c(-c2ccncc2)n1 ZINC000278639704 1435408588 /nfs/dbraw/zinc/40/85/88/1435408588.db2.gz LJEMCTUPNLEBTI-HXUWFJFHSA-N 1 0 390.491 3.378 20 30 GGEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278650666 1435410063 /nfs/dbraw/zinc/41/00/63/1435410063.db2.gz MISCVVQZVRBRKP-SFHVURJKSA-N 1 0 380.540 3.459 20 30 GGEDRO N#CCCn1cc(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000278653974 1435410852 /nfs/dbraw/zinc/41/08/52/1435410852.db2.gz MRMNWDVSOAFMTC-QFIPXVFZSA-N 1 0 387.487 3.462 20 30 GGEDRO C[C@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc(F)cc1F ZINC000278665819 1435411801 /nfs/dbraw/zinc/41/18/01/1435411801.db2.gz NQBLNIYLVUUKRH-NRFANRHFSA-N 1 0 397.429 3.134 20 30 GGEDRO C[C@@](O)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc(F)cc1F ZINC000278665826 1435411883 /nfs/dbraw/zinc/41/18/83/1435411883.db2.gz NQBLNIYLVUUKRH-OAQYLSRUSA-N 1 0 397.429 3.134 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c(-c2ccncc2)n1 ZINC000278668275 1435412119 /nfs/dbraw/zinc/41/21/19/1435412119.db2.gz NXSHSDNGQXGUMK-IBGZPJMESA-N 1 0 399.857 3.474 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NCc2ccccc2C[NH+](CC)CC)n1 ZINC000278678885 1435413435 /nfs/dbraw/zinc/41/34/35/1435413435.db2.gz BXWHOTQBGLDGRE-UHFFFAOYSA-N 1 0 381.524 3.090 20 30 GGEDRO COc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000278719592 1435417061 /nfs/dbraw/zinc/41/70/61/1435417061.db2.gz SQJUUYLOIBHBIT-UHFFFAOYSA-N 1 0 377.448 3.166 20 30 GGEDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278733388 1435418561 /nfs/dbraw/zinc/41/85/61/1435418561.db2.gz UPBRANBQBUOYEB-DYESRHJHSA-N 1 0 375.476 3.461 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCCN2CCc3ccccc32)c(-c2ccncc2)n1 ZINC000278750653 1435420075 /nfs/dbraw/zinc/42/00/75/1435420075.db2.gz WGONEHQCDITJMB-UHFFFAOYSA-N 1 0 386.503 3.401 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000278751394 1435420096 /nfs/dbraw/zinc/42/00/96/1435420096.db2.gz AVAQMAZZXXFKOV-UHFFFAOYSA-N 1 0 377.492 3.299 20 30 GGEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1C(=O)N1CCCCC1 ZINC000278894903 1435436933 /nfs/dbraw/zinc/43/69/33/1435436933.db2.gz JDIPHJFHVIGEDF-UHFFFAOYSA-N 1 0 399.539 3.320 20 30 GGEDRO N#Cc1cccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)on2)c1 ZINC000278934032 1435441709 /nfs/dbraw/zinc/44/17/09/1435441709.db2.gz DTRHZPGNPBRJNQ-UHFFFAOYSA-N 1 0 387.443 3.003 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc([C@H]2CCCOC2)nn1C)C(C)C ZINC000279058591 1435456452 /nfs/dbraw/zinc/45/64/52/1435456452.db2.gz ALCHNGVDYRVURD-PKOBYXMFSA-N 1 0 389.544 3.134 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000279171958 1435467296 /nfs/dbraw/zinc/46/72/96/1435467296.db2.gz RKMCKXOSCZIFJI-UHFFFAOYSA-N 1 0 378.520 3.167 20 30 GGEDRO CCOC(=O)c1ncn(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)c1N ZINC000279183267 1435468482 /nfs/dbraw/zinc/46/84/82/1435468482.db2.gz DDJJPKNJVHFMGS-UHFFFAOYSA-N 1 0 395.507 3.280 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000279192935 1435469533 /nfs/dbraw/zinc/46/95/33/1435469533.db2.gz IBYSLTKPYYEBAO-UHFFFAOYSA-N 1 0 393.535 3.021 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)c1C#N ZINC000279233796 1435474875 /nfs/dbraw/zinc/47/48/75/1435474875.db2.gz JJFSLCFGBHPTRX-CTNGQTDRSA-N 1 0 394.519 3.104 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000279305449 1435484189 /nfs/dbraw/zinc/48/41/89/1435484189.db2.gz WMFFTTHYXUDFSG-UHFFFAOYSA-N 1 0 393.535 3.234 20 30 GGEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]2CCO)sc2c1CCCCC2 ZINC000279343356 1435489089 /nfs/dbraw/zinc/48/90/89/1435489089.db2.gz UXBPASORRUTUHU-RHSMWYFYSA-N 1 0 375.538 3.358 20 30 GGEDRO Cc1ccc(N2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)cc1 ZINC000279360947 1435490960 /nfs/dbraw/zinc/49/09/60/1435490960.db2.gz HIRJFLYGCRECEJ-UHFFFAOYSA-N 1 0 386.503 3.489 20 30 GGEDRO COC(=O)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCCCC1 ZINC000279362606 1435491350 /nfs/dbraw/zinc/49/13/50/1435491350.db2.gz HOCDAWKREWYUTC-UHFFFAOYSA-N 1 0 381.480 3.072 20 30 GGEDRO N#CCCn1cc(CN2CCC[N@@H+](C3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000279377629 1435492842 /nfs/dbraw/zinc/49/28/42/1435492842.db2.gz JUVBRUVOUZQEPR-UHFFFAOYSA-N 1 0 378.524 3.309 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000279404524 1435495521 /nfs/dbraw/zinc/49/55/21/1435495521.db2.gz HJANACBVTINNEG-CTNGQTDRSA-N 1 0 393.535 3.101 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000279404531 1435495542 /nfs/dbraw/zinc/49/55/42/1435495542.db2.gz HJANACBVTINNEG-FPOVZHCZSA-N 1 0 393.535 3.101 20 30 GGEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000279425333 1435497837 /nfs/dbraw/zinc/49/78/37/1435497837.db2.gz CZKQMYFVOCIHNU-QHCPKHFHSA-N 1 0 386.499 3.269 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000279453804 1435501071 /nfs/dbraw/zinc/50/10/71/1435501071.db2.gz GGGOWTLWNXNJRI-UXHICEINSA-N 1 0 376.460 3.095 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000279453809 1435501094 /nfs/dbraw/zinc/50/10/94/1435501094.db2.gz GGGOWTLWNXNJRI-WOJBJXKFSA-N 1 0 376.460 3.095 20 30 GGEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](CCO)c1ccccc1 ZINC000279503872 1435506791 /nfs/dbraw/zinc/50/67/91/1435506791.db2.gz ZQGONVWAPYSPJH-NRFANRHFSA-N 1 0 375.476 3.414 20 30 GGEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279665763 1435526209 /nfs/dbraw/zinc/52/62/09/1435526209.db2.gz ZFRXDEXFHLHDAV-FGZHOGPDSA-N 1 0 378.520 3.211 20 30 GGEDRO N#CCOc1ccc(/C=C/C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000279678681 1435528225 /nfs/dbraw/zinc/52/82/25/1435528225.db2.gz MOEMYPFVEKSRDI-CFVXRLLBSA-N 1 0 387.483 3.193 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCCC[C@H]2C[C@@H](C)O)c1C#N ZINC000279742120 1435537117 /nfs/dbraw/zinc/53/71/17/1435537117.db2.gz KQCZIGCPLHTVFZ-QAPCUYQASA-N 1 0 398.507 3.182 20 30 GGEDRO NC(=[NH+]OCc1cccc(C(F)F)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000279835680 1435548880 /nfs/dbraw/zinc/54/88/80/1435548880.db2.gz GEAKKCIIUKZMQR-UHFFFAOYSA-N 1 0 375.419 3.422 20 30 GGEDRO NC(=NOCc1cccc(C(F)F)c1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000279923653 1435564087 /nfs/dbraw/zinc/56/40/87/1435564087.db2.gz URLNMMKBQCPYRJ-UHFFFAOYSA-N 1 0 389.446 3.418 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000279980931 1435572039 /nfs/dbraw/zinc/57/20/39/1435572039.db2.gz JQABXLLZTIMVGY-GOTSBHOMSA-N 1 0 386.499 3.267 20 30 GGEDRO C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280158665 1435601286 /nfs/dbraw/zinc/60/12/86/1435601286.db2.gz RXTCQKPQGSDEQP-TZYHBYERSA-N 1 0 386.499 3.267 20 30 GGEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc21 ZINC000280275320 1435623976 /nfs/dbraw/zinc/62/39/76/1435623976.db2.gz DFRCRJFQEKGPDW-HXUWFJFHSA-N 1 0 385.471 3.396 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280289369 1435627283 /nfs/dbraw/zinc/62/72/83/1435627283.db2.gz FALLNCXLNRDCSR-YSZBQJHXSA-N 1 0 386.499 3.267 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355865 1435642901 /nfs/dbraw/zinc/64/29/01/1435642901.db2.gz IQGNLQFGSDQXFV-XXBNENTESA-N 1 0 386.499 3.364 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355856 1435643199 /nfs/dbraw/zinc/64/31/99/1435643199.db2.gz IQGNLQFGSDQXFV-AUSIDOKSSA-N 1 0 386.499 3.364 20 30 GGEDRO C[C@@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000280381540 1435649398 /nfs/dbraw/zinc/64/93/98/1435649398.db2.gz MRMZGZAVLVJACA-AUSIDOKSSA-N 1 0 386.499 3.364 20 30 GGEDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](C)O2 ZINC000280462519 1435665057 /nfs/dbraw/zinc/66/50/57/1435665057.db2.gz MJQLJOQLRGGZGK-KGVIQGDOSA-N 1 0 380.492 3.232 20 30 GGEDRO CN(C(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)c1ccccc1 ZINC000280484513 1435668217 /nfs/dbraw/zinc/66/82/17/1435668217.db2.gz AIIJNHNICFLMQQ-SFHVURJKSA-N 1 0 387.443 3.093 20 30 GGEDRO COC(=O)c1nc([C@@H]2CCCN2CCC(=O)Nc2ccccc2C#N)sc1C ZINC000280544385 1435676897 /nfs/dbraw/zinc/67/68/97/1435676897.db2.gz TWMWKZRDHUIZBB-INIZCTEOSA-N 1 0 398.488 3.276 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000280806077 1435724074 /nfs/dbraw/zinc/72/40/74/1435724074.db2.gz SXRVJFQNYSRNNH-SGTLLEGYSA-N 1 0 386.395 3.318 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)CC1 ZINC000280877152 1435734631 /nfs/dbraw/zinc/73/46/31/1435734631.db2.gz NAHOMQWEWKJSTE-UHFFFAOYSA-N 1 0 381.524 3.342 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(O)(Cc3cccc(C)c3)CC2)CC1 ZINC000280936247 1435744395 /nfs/dbraw/zinc/74/43/95/1435744395.db2.gz QPKKMEZDZVWBSU-UHFFFAOYSA-N 1 0 385.552 3.115 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280948112 1435746055 /nfs/dbraw/zinc/74/60/55/1435746055.db2.gz XDLSFCKDQVXGRH-QFIPXVFZSA-N 1 0 386.499 3.330 20 30 GGEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(C)cc(C[NH+](C)C)c3)CC2)o1 ZINC000281065596 1435766725 /nfs/dbraw/zinc/76/67/25/1435766725.db2.gz CVMMJBAOWDSWHC-UHFFFAOYSA-N 1 0 381.480 3.080 20 30 GGEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000281063543 1435766735 /nfs/dbraw/zinc/76/67/35/1435766735.db2.gz ZHMQRQBVAPARLG-UHFFFAOYSA-N 1 0 390.409 3.072 20 30 GGEDRO C[NH+](C)CCCOC1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000281080868 1435769814 /nfs/dbraw/zinc/76/98/14/1435769814.db2.gz BQYHBGJAJBPVQH-UHFFFAOYSA-N 1 0 392.425 3.461 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1Cl ZINC000281081020 1435769941 /nfs/dbraw/zinc/76/99/41/1435769941.db2.gz SXGAJTVJEPCWRP-QGZVFWFLSA-N 1 0 388.899 3.063 20 30 GGEDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000281111588 1435776439 /nfs/dbraw/zinc/77/64/39/1435776439.db2.gz BGSAILJOOMKOQZ-UHFFFAOYSA-N 1 0 379.508 3.328 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+](CCCO)Cc1ccccn1)CCCC2 ZINC000281116541 1435777912 /nfs/dbraw/zinc/77/79/12/1435777912.db2.gz XEAOEYLEPLMBPW-UHFFFAOYSA-N 1 0 398.532 3.107 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000281164133 1435787510 /nfs/dbraw/zinc/78/75/10/1435787510.db2.gz CPHXJUBFIMOHTQ-HKBOAZHASA-N 1 0 386.540 3.059 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000281352783 1435805100 /nfs/dbraw/zinc/80/51/00/1435805100.db2.gz WWVYTWSBWKGRDO-UNMCSNQZSA-N 1 0 391.515 3.101 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000281352774 1435805109 /nfs/dbraw/zinc/80/51/09/1435805109.db2.gz WWVYTWSBWKGRDO-IRLDBZIGSA-N 1 0 391.515 3.101 20 30 GGEDRO C=CCN1CC[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1=O ZINC000281396066 1435807092 /nfs/dbraw/zinc/80/70/92/1435807092.db2.gz ZSTWHSAYXVBMRI-QGZVFWFLSA-N 1 0 382.426 3.130 20 30 GGEDRO Cc1ccc([C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000281410015 1435807819 /nfs/dbraw/zinc/80/78/19/1435807819.db2.gz RCAGFRNWRZYELS-HKUYNNGSSA-N 1 0 378.538 3.159 20 30 GGEDRO C=CCN1CC[C@H](N(C)C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1=O ZINC000281434228 1435808764 /nfs/dbraw/zinc/80/87/64/1435808764.db2.gz QWOJFHOLSRXBDP-QFIPXVFZSA-N 1 0 391.515 3.178 20 30 GGEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C2)CC1 ZINC000281543314 1435812941 /nfs/dbraw/zinc/81/29/41/1435812941.db2.gz ITAMCQUELLBMHV-FQEVSTJZSA-N 1 0 391.519 3.328 20 30 GGEDRO COc1cc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)ccc1C#N ZINC000281750306 1435820659 /nfs/dbraw/zinc/82/06/59/1435820659.db2.gz QZSDRWBFJVMTGX-UHFFFAOYSA-N 1 0 380.444 3.134 20 30 GGEDRO C=CC[C@H](CC)NC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000281911949 1435826401 /nfs/dbraw/zinc/82/64/01/1435826401.db2.gz PVXAUYQVIZSKIK-IBGZPJMESA-N 1 0 389.540 3.330 20 30 GGEDRO C=CC[C@@H](CC)NC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000281911951 1435826466 /nfs/dbraw/zinc/82/64/66/1435826466.db2.gz PVXAUYQVIZSKIK-LJQANCHMSA-N 1 0 389.540 3.330 20 30 GGEDRO N#CC1(CCC[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)CCOCC1 ZINC000281953529 1435828312 /nfs/dbraw/zinc/82/83/12/1435828312.db2.gz JVPIMVQJYVRBEZ-UHFFFAOYSA-N 1 0 387.499 3.254 20 30 GGEDRO O=C(C[NH2+][C@H]1CCCC12CCOCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000282046283 1435832466 /nfs/dbraw/zinc/83/24/66/1435832466.db2.gz LVRYJLNMBHECRW-SFHVURJKSA-N 1 0 394.437 3.112 20 30 GGEDRO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000282106258 1435834849 /nfs/dbraw/zinc/83/48/49/1435834849.db2.gz PQNFSPHOCRIPOD-GJYPPUQNSA-N 1 0 384.524 3.134 20 30 GGEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000282135784 1435835919 /nfs/dbraw/zinc/83/59/19/1435835919.db2.gz BCZJZVPEQQLUHQ-UHFFFAOYSA-N 1 0 385.512 3.114 20 30 GGEDRO CCC(CC)(CCO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000282336719 1435843584 /nfs/dbraw/zinc/84/35/84/1435843584.db2.gz BMCAHSXYORPTHY-UHFFFAOYSA-N 1 0 386.496 3.087 20 30 GGEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000282341780 1435843845 /nfs/dbraw/zinc/84/38/45/1435843845.db2.gz RQDJUWKHRJQPRG-INIZCTEOSA-N 1 0 384.484 3.207 20 30 GGEDRO C=CCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC000282403980 1435846067 /nfs/dbraw/zinc/84/60/67/1435846067.db2.gz WRVPVMBZCGCNMW-MRXNPFEDSA-N 1 0 380.521 3.471 20 30 GGEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000282539784 1435850759 /nfs/dbraw/zinc/85/07/59/1435850759.db2.gz HYSDCOWXRXIVFR-IBGZPJMESA-N 1 0 383.540 3.254 20 30 GGEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000282545534 1435851042 /nfs/dbraw/zinc/85/10/42/1435851042.db2.gz SYHHBCULBIBVCC-SFHVURJKSA-N 1 0 380.496 3.219 20 30 GGEDRO C#Cc1cc(F)c(NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c(F)c1 ZINC000282796647 1435860672 /nfs/dbraw/zinc/86/06/72/1435860672.db2.gz GPFMBAKLIFKYPL-UHFFFAOYSA-N 1 0 399.441 3.041 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncsc1C(F)(F)F ZINC000282900581 1435865240 /nfs/dbraw/zinc/86/52/40/1435865240.db2.gz UFMAISAJKBDOFQ-UHFFFAOYSA-N 1 0 382.411 3.238 20 30 GGEDRO CC(C)c1nnc([C@H]2COCCN2C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000282937379 1435866776 /nfs/dbraw/zinc/86/67/76/1435866776.db2.gz GGDQULXBLZPLBN-HXUWFJFHSA-N 1 0 395.507 3.103 20 30 GGEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000283120179 1435875502 /nfs/dbraw/zinc/87/55/02/1435875502.db2.gz VGPQGDJFDQNKLN-RTWAWAEBSA-N 1 0 399.502 3.413 20 30 GGEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000283351876 1435885633 /nfs/dbraw/zinc/88/56/33/1435885633.db2.gz SCORFJHSAITRGP-UHFFFAOYSA-N 1 0 380.540 3.295 20 30 GGEDRO C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000283375326 1435886774 /nfs/dbraw/zinc/88/67/74/1435886774.db2.gz CSKSSBBVAXTPGG-YLJYHZDGSA-N 1 0 395.507 3.041 20 30 GGEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283392329 1435887562 /nfs/dbraw/zinc/88/75/62/1435887562.db2.gz VVXNSPBZFUSHCR-UHFFFAOYSA-N 1 0 384.484 3.396 20 30 GGEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000283398142 1435887959 /nfs/dbraw/zinc/88/79/59/1435887959.db2.gz WKZTUDBVYCWYAU-UYAOXDASSA-N 1 0 378.524 3.369 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000283857853 1435938376 /nfs/dbraw/zinc/93/83/76/1435938376.db2.gz BISOUOFYKKOJBI-HXUWFJFHSA-N 1 0 385.552 3.015 20 30 GGEDRO COC(=O)c1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc(C)c2)cc1 ZINC000283924534 1435954408 /nfs/dbraw/zinc/95/44/08/1435954408.db2.gz DXTHSPVGBOUQGP-UHFFFAOYSA-O 1 0 383.493 3.150 20 30 GGEDRO CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000284109128 1435991913 /nfs/dbraw/zinc/99/19/13/1435991913.db2.gz GPQSBWSADAVFGW-NHCUHLMSSA-N 1 0 386.515 3.107 20 30 GGEDRO CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000284109124 1435992316 /nfs/dbraw/zinc/99/23/16/1435992316.db2.gz GPQSBWSADAVFGW-LEWJYISDSA-N 1 0 386.515 3.107 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)CC1 ZINC000284251589 1436007189 /nfs/dbraw/zinc/00/71/89/1436007189.db2.gz CSMVVBWNFNOJOZ-UHFFFAOYSA-N 1 0 396.894 3.088 20 30 GGEDRO CC1(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2ccccc2)CC1 ZINC000284378537 1436017190 /nfs/dbraw/zinc/01/71/90/1436017190.db2.gz LXWJDYCIJPULPN-UHFFFAOYSA-O 1 0 394.520 3.182 20 30 GGEDRO C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000284382120 1436017515 /nfs/dbraw/zinc/01/75/15/1436017515.db2.gz HEWZTXOGWFKZLU-UHFFFAOYSA-N 1 0 385.552 3.280 20 30 GGEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC2(C)CC2)cc1 ZINC000284414090 1436019991 /nfs/dbraw/zinc/01/99/91/1436019991.db2.gz NTQUUKFNEPOIIS-UHFFFAOYSA-O 1 0 390.479 3.399 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCC(=O)N3)C(=S)NC2(C)CC2)cc1 ZINC000284430490 1436021358 /nfs/dbraw/zinc/02/13/58/1436021358.db2.gz OTASTXDPUAEFSO-UHFFFAOYSA-O 1 0 394.520 3.248 20 30 GGEDRO CC1(NC(=S)C(C(=O)c2ccc3c(c2)CCCC3)[n+]2cccc(CO)c2)CC1 ZINC000284479843 1436024921 /nfs/dbraw/zinc/02/49/21/1436024921.db2.gz RSQGDDTYTLLVGA-UHFFFAOYSA-O 1 0 395.548 3.426 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284655690 1436037983 /nfs/dbraw/zinc/03/79/83/1436037983.db2.gz WJSRJXZCVRTAKJ-QGZVFWFLSA-N 1 0 393.487 3.115 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC)c2cccc(Cl)c2)CC1 ZINC000284758333 1436047123 /nfs/dbraw/zinc/04/71/23/1436047123.db2.gz CYHHNZKHWRMZGG-SFHVURJKSA-N 1 0 377.916 3.064 20 30 GGEDRO O=C(C[NH+]1CCC2(CCOCC2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000284813286 1436052425 /nfs/dbraw/zinc/05/24/25/1436052425.db2.gz QNDVNSUOEDVAPO-UHFFFAOYSA-N 1 0 394.437 3.066 20 30 GGEDRO C[NH+](CCCC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736792836 1449120569 /nfs/dbraw/zinc/12/05/69/1449120569.db2.gz RAZPOGZBBFRGCO-UHFFFAOYSA-N 1 0 389.507 3.082 20 30 GGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@@H]43)c(Cl)nn2)cc1 ZINC001164411013 718877285 /nfs/dbraw/zinc/87/72/85/718877285.db2.gz LFJFWPAPVZQWFN-HOCLYGCPSA-N 1 0 375.810 3.154 20 30 GGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@@H]43)c(Cl)nn2)c1 ZINC001164410764 718877670 /nfs/dbraw/zinc/87/76/70/718877670.db2.gz GSQLXNDXJNYHMB-ZBFHGGJFSA-N 1 0 375.810 3.154 20 30 GGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@H]43)c(Cl)nn2)c1 ZINC001164446952 719003052 /nfs/dbraw/zinc/00/30/52/719003052.db2.gz ADKSJFVCLCBSPF-GOEBONIOSA-N 1 0 375.810 3.154 20 30 GGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@@H]43)c(Cl)nn2)c1 ZINC001164446957 719003176 /nfs/dbraw/zinc/00/31/76/719003176.db2.gz ADKSJFVCLCBSPF-ZBFHGGJFSA-N 1 0 375.810 3.154 20 30 GGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(C)c3C#N)CC2)CC1 ZINC001164614681 719022334 /nfs/dbraw/zinc/02/23/34/719022334.db2.gz WQEFHJMOFRKCNV-UHFFFAOYSA-N 1 0 390.915 3.159 20 30 GGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(CC#N)cc3Cl)CC2)CC1 ZINC001164617575 719033936 /nfs/dbraw/zinc/03/39/36/719033936.db2.gz MCGYFNWOAIFDFR-UHFFFAOYSA-N 1 0 390.915 3.045 20 30 GGEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001164629359 719115250 /nfs/dbraw/zinc/11/52/50/719115250.db2.gz SBTRXTXSVJFKFX-GZMMTYOYSA-N 1 0 379.213 3.318 20 30 GGEDRO CC(C)N(C)Cc1nn(-c2nc3ccccc3c(Cl)c2C#N)c2c1CC[NH2+]C2 ZINC001164680190 719636663 /nfs/dbraw/zinc/63/66/63/719636663.db2.gz RVCMPZZVLMSMOI-UHFFFAOYSA-N 1 0 394.910 3.431 20 30 GGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c(C#N)cn1)CC2 ZINC001164715532 720111901 /nfs/dbraw/zinc/11/19/01/720111901.db2.gz HLWNCSBXXVEMSN-NRFANRHFSA-N 1 0 391.519 3.164 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C3(C#N)CCC3)cn1)C2 ZINC001164813767 720114870 /nfs/dbraw/zinc/11/48/70/720114870.db2.gz QLBKNGXNAQUYCU-NFBKMPQASA-N 1 0 380.536 3.212 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(Cl)cc1C#N)C2 ZINC001164815467 720116697 /nfs/dbraw/zinc/11/66/97/720116697.db2.gz VUVBELMNAJRNDJ-DNVCBOLYSA-N 1 0 395.334 3.445 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C#C[Si](C)(C)C)C2 ZINC001164814980 720139782 /nfs/dbraw/zinc/13/97/82/720139782.db2.gz UXEFYJJZNRRREQ-JTHBVZDNSA-N 1 0 397.639 3.495 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001164819543 720166646 /nfs/dbraw/zinc/16/66/46/720166646.db2.gz XSUOITGAQGSHGH-NFBKMPQASA-N 1 0 380.536 3.017 20 30 GGEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726375 720429076 /nfs/dbraw/zinc/42/90/76/720429076.db2.gz BVLKHXLFWJJEMQ-VXKWHMMOSA-N 1 0 382.471 3.263 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C#N)cc(Cl)n3)CC[C@@H]21 ZINC001164832862 720504676 /nfs/dbraw/zinc/50/46/76/720504676.db2.gz BQTXLAZITIKLBA-BZSNNMDCSA-N 1 0 384.915 3.181 20 30 GGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(-c3ccc(F)cc3)ccc2C#N)C1 ZINC001164727238 720507104 /nfs/dbraw/zinc/50/71/04/720507104.db2.gz BYSTUTLEPOCGQE-INIZCTEOSA-N 1 0 390.466 3.154 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C#N ZINC001164837247 720512489 /nfs/dbraw/zinc/51/24/89/720512489.db2.gz OQZSFQIPLXEQHF-ZHALLVOQSA-N 1 0 398.942 3.489 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(Cl)c(C#N)n3)CC[C@@H]21 ZINC001164839040 720514201 /nfs/dbraw/zinc/51/42/01/720514201.db2.gz SDYUOGYXAYMGBD-BXWFABGCSA-N 1 0 384.915 3.181 20 30 GGEDRO Cc1cnc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c(C#C[Si](C)(C)C)c1 ZINC001164734583 720521087 /nfs/dbraw/zinc/52/10/87/720521087.db2.gz QVGSCYFFURJZHR-GOSISDBHSA-N 1 0 381.600 3.013 20 30 GGEDRO Cc1cnc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c(C#C[Si](C)(C)C)c1 ZINC001164734584 720521169 /nfs/dbraw/zinc/52/11/69/720521169.db2.gz QVGSCYFFURJZHR-SFHVURJKSA-N 1 0 381.600 3.013 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(Cl)c3C#N)CC[C@@H]21 ZINC001164839096 720521747 /nfs/dbraw/zinc/52/17/47/720521747.db2.gz SSGHYSPEZNAPIN-BXWFABGCSA-N 1 0 384.915 3.181 20 30 GGEDRO Cc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C ZINC001164836755 720532322 /nfs/dbraw/zinc/53/23/22/720532322.db2.gz KVGPIXYJNMWJGM-PCCBWWKXSA-N 1 0 378.524 3.144 20 30 GGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3cc(F)ccc3c(Cl)c2C#N)C1 ZINC001164734727 720534805 /nfs/dbraw/zinc/53/48/05/720534805.db2.gz KUAGXBIZRPKRTL-ZDUSSCGKSA-N 1 0 398.873 3.293 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3[nH]ccc4ncc(C#N)c3-4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835575 720584970 /nfs/dbraw/zinc/58/49/70/720584970.db2.gz BKNGBCPLCOKHQI-IMFGXOCKSA-N 1 0 389.507 3.009 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)CC[C@@H]21 ZINC001164835577 720586258 /nfs/dbraw/zinc/58/62/58/720586258.db2.gz BKNGBCPLCOKHQI-QRFRQXIXSA-N 1 0 389.507 3.009 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4[nH]c(C#N)cc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835582 720596128 /nfs/dbraw/zinc/59/61/28/720596128.db2.gz BNDGGYSWJAOADO-PLMTUMEDSA-N 1 0 389.507 3.009 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4c(cc3C#N)CCC4)CC[C@@H]21 ZINC001164841559 720604913 /nfs/dbraw/zinc/60/49/13/720604913.db2.gz TWJJHATZLWNVBQ-ONTIZHBOSA-N 1 0 390.535 3.016 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(CC#N)cc3Cl)CC[C@@H]21 ZINC001164837207 720629851 /nfs/dbraw/zinc/62/98/51/720629851.db2.gz HPCOQAANDIMSPM-BJLQDIEVSA-N 1 0 398.942 3.375 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(CC#N)cc3Cl)CC[C@@H]21 ZINC001164837211 720630121 /nfs/dbraw/zinc/63/01/21/720630121.db2.gz HPCOQAANDIMSPM-HBFSDRIKSA-N 1 0 398.942 3.375 20 30 GGEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)cc1C#N ZINC001164840266 720643242 /nfs/dbraw/zinc/64/32/42/720643242.db2.gz PQPAYVWRBKTTAS-QWFCFKBJSA-N 1 0 398.942 3.489 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164843243 720673530 /nfs/dbraw/zinc/67/35/30/720673530.db2.gz VSWNPBDSUGCEON-QGZVFWFLSA-N 1 0 397.910 3.262 20 30 GGEDRO COc1cc(C#N)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839704 720692771 /nfs/dbraw/zinc/69/27/71/720692771.db2.gz BLDNQRAMFMJHOE-FQEVSTJZSA-N 1 0 392.503 3.222 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C#N)cc1F)CC2 ZINC001164838259 720703397 /nfs/dbraw/zinc/70/33/97/720703397.db2.gz HPOVMSMRKSFZJD-LJQANCHMSA-N 1 0 380.467 3.352 20 30 GGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)cc1C#N)[C@H]2C ZINC001164853475 720922996 /nfs/dbraw/zinc/92/29/96/720922996.db2.gz AXWQTOLYHVCYTM-LBPRGKRZSA-N 1 0 376.867 3.364 20 30 GGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc3c(c1C#N)CCCC3)[C@H]2C ZINC001164864436 721021723 /nfs/dbraw/zinc/02/17/23/721021723.db2.gz XNTKRQJLBXOGKG-INIZCTEOSA-N 1 0 378.524 3.450 20 30 GGEDRO Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164868160 721050612 /nfs/dbraw/zinc/05/06/12/721050612.db2.gz NJCYJVSTWUPHLB-QZTJIDSGSA-N 1 0 397.910 3.098 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@H]3C2)cn1 ZINC001164771323 721164802 /nfs/dbraw/zinc/16/48/02/721164802.db2.gz SAGJAWAHMVSKFX-NHCUHLMSSA-N 1 0 393.611 3.002 20 30 GGEDRO N#C[C@@H](c1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nn1)c1ccccc1F ZINC001164771307 721292955 /nfs/dbraw/zinc/29/29/55/721292955.db2.gz ZQQHEEQBWNMFNA-GOSISDBHSA-N 1 0 377.467 3.193 20 30 GGEDRO COc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(F)cc1C#N ZINC001164795708 721499106 /nfs/dbraw/zinc/49/91/06/721499106.db2.gz JVIDDQDBDSACHB-UHFFFAOYSA-N 1 0 395.482 3.377 20 30 GGEDRO N#Cc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900516 721510239 /nfs/dbraw/zinc/51/02/39/721510239.db2.gz RRAGQBXDDHJIAB-GOEBONIOSA-N 1 0 390.821 3.227 20 30 GGEDRO N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164911321 721567193 /nfs/dbraw/zinc/56/71/93/721567193.db2.gz YXQAHKWOGRSFOB-AZUAARDMSA-N 1 0 392.478 3.313 20 30 GGEDRO N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164911328 721567417 /nfs/dbraw/zinc/56/74/17/721567417.db2.gz YXQAHKWOGRSFOB-UYAOXDASSA-N 1 0 392.478 3.313 20 30 GGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@H]2CCCO[C@H]12 ZINC001164808861 721576633 /nfs/dbraw/zinc/57/66/33/721576633.db2.gz WAZDUQQFZYVQAZ-ZDXQCDESSA-N 1 0 399.498 3.370 20 30 GGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164808859 721576657 /nfs/dbraw/zinc/57/66/57/721576657.db2.gz WAZDUQQFZYVQAZ-WMTXJRDZSA-N 1 0 399.498 3.370 20 30 GGEDRO Cc1ccc(C#N)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908477 721692970 /nfs/dbraw/zinc/69/29/70/721692970.db2.gz ZJDZAZYWPQENFL-FQEVSTJZSA-N 1 0 383.446 3.394 20 30 GGEDRO Cc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C#N ZINC001164907500 721701868 /nfs/dbraw/zinc/70/18/68/721701868.db2.gz UURJFZUTRRIFBO-HXUWFJFHSA-N 1 0 383.446 3.394 20 30 GGEDRO Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1C#N ZINC001164906949 721713621 /nfs/dbraw/zinc/71/36/21/721713621.db2.gz PBSAILQYPYHKCH-HXUWFJFHSA-N 1 0 383.446 3.394 20 30 GGEDRO COc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1C#N ZINC001165025405 721799996 /nfs/dbraw/zinc/79/99/96/721799996.db2.gz NYVWUYCEJNHHMY-FFZOFVMBSA-N 1 0 377.492 3.094 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc(Cl)c3C#N)C[C@H]21 ZINC001165024014 721805420 /nfs/dbraw/zinc/80/54/20/721805420.db2.gz KRHSWEOJXSJYPF-BMGDILEWSA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cnc3C#N)C[C@H]21 ZINC001165027717 721805460 /nfs/dbraw/zinc/80/54/60/721805460.db2.gz XMMNCHNVWOZAQB-QGPMSJSTSA-N 1 0 382.899 3.134 20 30 GGEDRO COc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165018695 721808552 /nfs/dbraw/zinc/80/85/52/721808552.db2.gz BYBIBTSOSACUMA-PWIZWCRZSA-N 1 0 377.492 3.094 20 30 GGEDRO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165025117 721813107 /nfs/dbraw/zinc/81/31/07/721813107.db2.gz LKSMCEYYQACZNH-ZYSHUDEJSA-N 1 0 396.926 3.442 20 30 GGEDRO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165025113 721813169 /nfs/dbraw/zinc/81/31/69/721813169.db2.gz LKSMCEYYQACZNH-KFKAGJAMSA-N 1 0 396.926 3.442 20 30 GGEDRO C=CCOc1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025154 721813194 /nfs/dbraw/zinc/81/31/94/721813194.db2.gz LNDQTYYOVOCKPZ-CEWLAPEOSA-N 1 0 393.535 3.482 20 30 GGEDRO COc1cc(C#N)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026076 721813915 /nfs/dbraw/zinc/81/39/15/721813915.db2.gz PAKORTCIZSSFDY-ORYQWCPZSA-N 1 0 377.492 3.094 20 30 GGEDRO COc1cc(C#N)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026074 721814155 /nfs/dbraw/zinc/81/41/55/721814155.db2.gz PAKORTCIZSSFDY-NDXORKPFSA-N 1 0 377.492 3.094 20 30 GGEDRO COc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)cc1C#N ZINC001165023113 721822075 /nfs/dbraw/zinc/82/20/75/721822075.db2.gz HLZKZYAKKJGTQT-CVAIRZPRSA-N 1 0 395.482 3.233 20 30 GGEDRO COc1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1C#N ZINC001165023405 721839790 /nfs/dbraw/zinc/83/97/90/721839790.db2.gz WLBOVYRLTQAXLT-UHFFFAOYSA-N 1 0 396.491 3.080 20 30 GGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c12 ZINC001164935705 721890807 /nfs/dbraw/zinc/89/08/07/721890807.db2.gz WTJZYWDFJMYLBI-ROUUACIJSA-N 1 0 383.927 3.283 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)c(C#N)cn4)CC3)C2)cc1 ZINC001164938963 721925448 /nfs/dbraw/zinc/92/54/48/721925448.db2.gz DPPMJLCACKFKTO-UHFFFAOYSA-N 1 0 376.504 3.442 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C)c(C#N)n4)CC3)C2)cc1 ZINC001164939298 721926006 /nfs/dbraw/zinc/92/60/06/721926006.db2.gz GXZBLAFNEQKJFA-UHFFFAOYSA-N 1 0 376.504 3.442 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C#N)c(C)n4)CC3)C2)cc1 ZINC001164939670 721928795 /nfs/dbraw/zinc/92/87/95/721928795.db2.gz NYDSMJYAJGZBPK-UHFFFAOYSA-N 1 0 376.504 3.442 20 30 GGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C#N)cc(C)n4)CC3)C2)cc1 ZINC001164940221 721932779 /nfs/dbraw/zinc/93/27/79/721932779.db2.gz SOYBFCDZNWAXND-UHFFFAOYSA-N 1 0 376.504 3.442 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164979903 722101993 /nfs/dbraw/zinc/10/19/93/722101993.db2.gz IFZBYZGVKNUABA-PKOBYXMFSA-N 1 0 397.910 3.037 20 30 GGEDRO CC(C)c1ccc(C#N)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983914 722103416 /nfs/dbraw/zinc/10/34/16/722103416.db2.gz QYJWZCKFVCBVLP-UNMCSNQZSA-N 1 0 391.519 3.199 20 30 GGEDRO N#Cc1ccc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973863 722111087 /nfs/dbraw/zinc/11/10/87/722111087.db2.gz HNLFECKAVAJTMM-JTHBVZDNSA-N 1 0 399.498 3.229 20 30 GGEDRO Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)cc1C#N ZINC001164971106 722155383 /nfs/dbraw/zinc/15/53/83/722155383.db2.gz AQTVUQRVBQOHEE-FXAWDEMLSA-N 1 0 397.910 3.037 20 30 GGEDRO N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995793 722197631 /nfs/dbraw/zinc/19/76/31/722197631.db2.gz YAWLKJJFEXWQRV-HXUWFJFHSA-N 1 0 381.411 3.245 20 30 GGEDRO N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993925 722198854 /nfs/dbraw/zinc/19/88/54/722198854.db2.gz JKSPFANRJJQOND-HXUWFJFHSA-N 1 0 381.411 3.245 20 30 GGEDRO C=CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819744139 945278960 /nfs/dbraw/zinc/27/89/60/945278960.db2.gz XRLFRPVSJMPMTN-UHFFFAOYSA-N 1 0 398.417 3.162 20 30 GGEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)ccc1OC ZINC000825038382 947053522 /nfs/dbraw/zinc/05/35/22/947053522.db2.gz AEIFGHSNHQMGCE-RDTXWAMCSA-N 1 0 392.463 3.407 20 30 GGEDRO C=CC[N@H+](CC1CCCCC1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC001573340959 947525159 /nfs/dbraw/zinc/52/51/59/947525159.db2.gz FMWDZQWSOJZTPV-INIZCTEOSA-N 1 0 386.525 3.102 20 30 GGEDRO C=CCOc1ccc(C[NH2+][C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)cc1Cl ZINC001573348712 947586661 /nfs/dbraw/zinc/58/66/61/947586661.db2.gz SNNVLKMETLMOPU-KRWDZBQOSA-N 1 0 381.867 3.342 20 30 GGEDRO CC(C)[C@H]1CN(c2c(C#N)cccc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC001574099473 949173423 /nfs/dbraw/zinc/17/34/23/949173423.db2.gz KXSZAWGEJXUPEV-HXUWFJFHSA-N 1 0 387.491 3.085 20 30 GGEDRO C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598472921 992056061 /nfs/dbraw/zinc/05/60/61/992056061.db2.gz XFTYRGBQRULFLB-UHFFFAOYSA-N 1 0 378.476 3.390 20 30 GGEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000791003146 1126110314 /nfs/dbraw/zinc/11/03/14/1126110314.db2.gz UFBDQPQTAJACJV-SFHVURJKSA-N 1 0 392.268 3.293 20 30 GGEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC001176587258 1126149704 /nfs/dbraw/zinc/14/97/04/1126149704.db2.gz HZZKWCZBSRPTOG-HXUWFJFHSA-N 1 0 376.403 3.252 20 30 GGEDRO Cn1cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC001461202700 1126193753 /nfs/dbraw/zinc/19/37/53/1126193753.db2.gz LDVMDEVKPGVCRB-FQEVSTJZSA-N 1 0 385.471 3.133 20 30 GGEDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(C#N)cc1Br ZINC001648162501 1126250330 /nfs/dbraw/zinc/25/03/30/1126250330.db2.gz XJTYXWHZGGHUAY-IBGZPJMESA-N 1 0 389.293 3.413 20 30 GGEDRO O=C(CCSc1ccc(Br)cc1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000328592088 534766478 /nfs/dbraw/zinc/76/64/78/534766478.db2.gz YLDQYYHVIGQWDV-KRWDZBQOSA-N 1 0 399.354 3.345 20 30 GGEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597969 564196423 /nfs/dbraw/zinc/19/64/23/564196423.db2.gz KMMGXPHWAHCJBB-FZKQIMNGSA-N 1 0 386.293 3.458 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc(CO)c1 ZINC000022798391 564320428 /nfs/dbraw/zinc/32/04/28/564320428.db2.gz HIYFHVKDCOMTLP-UHFFFAOYSA-O 1 0 375.539 3.249 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867270 564341731 /nfs/dbraw/zinc/34/17/31/564341731.db2.gz FXGCNPCUHXEJKR-GOSISDBHSA-N 1 0 389.293 3.387 20 30 GGEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000026328329 564346139 /nfs/dbraw/zinc/34/61/39/564346139.db2.gz SRGPSQVQDNAAGS-QGZVFWFLSA-N 1 0 375.266 3.192 20 30 GGEDRO CC1CCN(C(=[NH2+])NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000122452821 564414692 /nfs/dbraw/zinc/41/46/92/564414692.db2.gz KLHMHQIAJMVBCV-OAHLLOKOSA-N 1 0 379.346 3.322 20 30 GGEDRO C[N@@H+](Cc1cc(Br)cs1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000047751730 564526069 /nfs/dbraw/zinc/52/60/69/564526069.db2.gz KEDULOCSFSXMRH-AWEZNQCLSA-N 1 0 381.295 3.254 20 30 GGEDRO N#Cc1c(Cl)nsc1NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000051956902 564566835 /nfs/dbraw/zinc/56/68/35/564566835.db2.gz FGJYDYQADBJAML-UHFFFAOYSA-N 1 0 375.929 3.288 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)ccc2Cl)c1C#N ZINC000128182444 564609445 /nfs/dbraw/zinc/60/94/45/564609445.db2.gz ZBVPTKFVACVSQX-UHFFFAOYSA-N 1 0 396.676 3.102 20 30 GGEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000057764761 564673092 /nfs/dbraw/zinc/67/30/92/564673092.db2.gz ASXRBRZYIZGIDR-UHFFFAOYSA-N 1 0 377.535 3.152 20 30 GGEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cccc(C#N)c1 ZINC000057764758 564673420 /nfs/dbraw/zinc/67/34/20/564673420.db2.gz IIAHAWKTNBWSFG-UHFFFAOYSA-N 1 0 377.535 3.152 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000130771613 564691662 /nfs/dbraw/zinc/69/16/62/564691662.db2.gz QHDDRBGXLURHOZ-IAGOWNOFSA-N 1 0 378.314 3.247 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc(N(C)C)cc1 ZINC000131251094 564706089 /nfs/dbraw/zinc/70/60/89/564706089.db2.gz AFHFSQZZFIHTDN-UHFFFAOYSA-O 1 0 394.611 3.301 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)o1 ZINC000065931247 564752787 /nfs/dbraw/zinc/75/27/87/564752787.db2.gz LSVHQYJZVIXKMF-UHFFFAOYSA-N 1 0 376.254 3.118 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000066318082 564762585 /nfs/dbraw/zinc/76/25/85/564762585.db2.gz HBCSJSSIVWNHEE-UHFFFAOYSA-N 1 0 380.926 3.172 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)ccc2Br)c1C#N ZINC000133284297 564768728 /nfs/dbraw/zinc/76/87/28/564768728.db2.gz FJXDJENQZSVTON-UHFFFAOYSA-N 1 0 396.676 3.102 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000066708028 564772974 /nfs/dbraw/zinc/77/29/74/564772974.db2.gz ALUOQPVRQGDAFI-GOSISDBHSA-N 1 0 381.303 3.239 20 30 GGEDRO Cc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccccc2)s1 ZINC000134136943 564794188 /nfs/dbraw/zinc/79/41/88/564794188.db2.gz VJHDZTRMFJSDIT-HNNXBMFYSA-O 1 0 375.539 3.442 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000067712347 564797641 /nfs/dbraw/zinc/79/76/41/564797641.db2.gz GEJBRLOVIFIRLO-QGZVFWFLSA-N 1 0 378.314 3.472 20 30 GGEDRO C=CCNc1ncc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000136230718 564847193 /nfs/dbraw/zinc/84/71/93/564847193.db2.gz WLQCXLGSRKTECY-UHFFFAOYSA-N 1 0 376.551 3.445 20 30 GGEDRO C[NH2+]CCN(C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000070304112 564849515 /nfs/dbraw/zinc/84/95/15/564849515.db2.gz YQWXLYWETVFWQK-UHFFFAOYSA-N 1 0 393.123 3.259 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000137011564 564857650 /nfs/dbraw/zinc/85/76/50/564857650.db2.gz LQJKDYYJEXDORB-OAHLLOKOSA-N 1 0 381.289 3.493 20 30 GGEDRO C[C@](C#N)(NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1)C1CC1 ZINC000101545365 564917380 /nfs/dbraw/zinc/91/73/80/564917380.db2.gz QBXFWZYQUSMLIX-QGZVFWFLSA-N 1 0 376.298 3.226 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc(Br)cc2F)CC1 ZINC000106040270 564976871 /nfs/dbraw/zinc/97/68/71/564976871.db2.gz GRSUNFWMBOLURP-UHFFFAOYSA-N 1 0 385.277 3.124 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2I)CC1 ZINC000106039701 564976980 /nfs/dbraw/zinc/97/69/80/564976980.db2.gz JMJODQOGPSJMRR-UHFFFAOYSA-N 1 0 384.261 3.062 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2F)CC1 ZINC000106259757 564980755 /nfs/dbraw/zinc/98/07/55/564980755.db2.gz GPZRJSDKXBMEIM-UHFFFAOYSA-N 1 0 384.293 3.428 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCc1ccc(Br)cc1 ZINC000106861638 564990327 /nfs/dbraw/zinc/99/03/27/564990327.db2.gz RFOJNZQTZFFLOJ-KBXCAEBGSA-N 1 0 380.330 3.366 20 30 GGEDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Br)cc1C#N ZINC000154122891 565027067 /nfs/dbraw/zinc/02/70/67/565027067.db2.gz CUJHLBZHWNQMGB-KRWDZBQOSA-N 1 0 375.266 3.192 20 30 GGEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000109818654 565031960 /nfs/dbraw/zinc/03/19/60/565031960.db2.gz UAYIYEPJBJYLJH-UHFFFAOYSA-N 1 0 391.313 3.016 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000369204283 565081111 /nfs/dbraw/zinc/08/11/11/565081111.db2.gz OCDAWMSHAUXIRC-UYAOXDASSA-N 1 0 389.337 3.420 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000369595674 565102191 /nfs/dbraw/zinc/10/21/91/565102191.db2.gz FAWUPNFJBFFHAP-IBGZPJMESA-N 1 0 382.261 3.417 20 30 GGEDRO O=C(c1cccc(Cl)c1)C(C(=S)NC1CCC1)[n+]1cccc(CO)c1 ZINC000292420761 565114801 /nfs/dbraw/zinc/11/48/01/565114801.db2.gz ZXDMCFVVDAKTIE-UHFFFAOYSA-O 1 0 375.901 3.201 20 30 GGEDRO COc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Br ZINC000267357801 565115523 /nfs/dbraw/zinc/11/55/23/565115523.db2.gz GPGIXTWNTDGUMO-UHFFFAOYSA-N 1 0 383.290 3.157 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267989833 565137167 /nfs/dbraw/zinc/13/71/67/565137167.db2.gz RAIMZCUYCKVITN-RDTXWAMCSA-N 1 0 378.567 3.497 20 30 GGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157722004 565142558 /nfs/dbraw/zinc/14/25/58/565142558.db2.gz YEFGMJISNRTYEB-ZDUSSCGKSA-N 1 0 379.302 3.434 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2nccnc2C)cc1OC ZINC000292957078 565143317 /nfs/dbraw/zinc/14/33/17/565143317.db2.gz JECMPXVRMQSKRJ-UHFFFAOYSA-N 1 0 392.297 3.453 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1OC ZINC000371137269 565178226 /nfs/dbraw/zinc/17/82/26/565178226.db2.gz AOCSRVALIPVING-AWEZNQCLSA-N 1 0 392.297 3.393 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000293982151 565193363 /nfs/dbraw/zinc/19/33/63/565193363.db2.gz SYDBPNMPLJCYEI-QGZVFWFLSA-N 1 0 389.337 3.185 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc(CO)c1 ZINC000269709714 565198019 /nfs/dbraw/zinc/19/80/19/565198019.db2.gz PTJFUJPJGLTNOQ-UHFFFAOYSA-O 1 0 395.595 3.036 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000294334438 565208878 /nfs/dbraw/zinc/20/88/78/565208878.db2.gz AFSDLOLFTXOKFG-UHFFFAOYSA-N 1 0 376.298 3.411 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000294795006 565229605 /nfs/dbraw/zinc/22/96/05/565229605.db2.gz BSXAHCARXIVCBN-SCLBCKFNSA-N 1 0 388.309 3.410 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000294889223 565234385 /nfs/dbraw/zinc/23/43/85/565234385.db2.gz ILYBDOQVSYUOCZ-MRXNPFEDSA-N 1 0 376.298 3.411 20 30 GGEDRO C[C@H]1C[NH+](CC2CCN(c3ncc(Br)cc3C#N)CC2)C[C@H](C)O1 ZINC000295431206 565266024 /nfs/dbraw/zinc/26/60/24/565266024.db2.gz FSAMINHXRXQKAA-KBPBESRZSA-N 1 0 393.329 3.041 20 30 GGEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373824720 565305540 /nfs/dbraw/zinc/30/55/40/565305540.db2.gz RLPUTCDUKGXNLY-AWEZNQCLSA-N 1 0 375.519 3.124 20 30 GGEDRO C[C@H](NC(=[NH2+])NCCCCCS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000187055435 565306343 /nfs/dbraw/zinc/30/63/43/565306343.db2.gz HQBLSCHWXZUNPF-NSHDSACASA-N 1 0 380.341 3.174 20 30 GGEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C2)C1 ZINC000297140260 565357606 /nfs/dbraw/zinc/35/76/06/565357606.db2.gz SVQQIMFWEHRWDC-QGZVFWFLSA-N 1 0 377.286 3.270 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cncc(Br)c3)C2=O)cc1 ZINC000274265020 565365130 /nfs/dbraw/zinc/36/51/30/565365130.db2.gz OUHFSHIGLZHVDS-QGZVFWFLSA-N 1 0 385.265 3.001 20 30 GGEDRO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000164954466 565365672 /nfs/dbraw/zinc/36/56/72/565365672.db2.gz JSFXBZPAEYZXMD-AWEZNQCLSA-N 1 0 398.320 3.461 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000170946185 565401066 /nfs/dbraw/zinc/40/10/66/565401066.db2.gz DSOVDBGRGJPAPT-UHFFFAOYSA-N 1 0 389.297 3.015 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000171554767 565437306 /nfs/dbraw/zinc/43/73/06/565437306.db2.gz DQOGPHBOUVBAJE-UHFFFAOYSA-N 1 0 396.329 3.168 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(F)cc2Br)CC1 ZINC000171560596 565437581 /nfs/dbraw/zinc/43/75/81/565437581.db2.gz IJHRFDJBQPQTDE-UHFFFAOYSA-N 1 0 384.293 3.428 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(Br)cc1C#N ZINC000376506896 565439564 /nfs/dbraw/zinc/43/95/64/565439564.db2.gz MSEVBEMOLPPYPT-KURKYZTESA-N 1 0 378.314 3.004 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000376508481 565440182 /nfs/dbraw/zinc/44/01/82/565440182.db2.gz UWSHPAROAXVDCW-RDTXWAMCSA-N 1 0 388.309 3.296 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CSc2ncnc3sc(C)c(C)c32)CC1 ZINC000171724622 565446662 /nfs/dbraw/zinc/44/66/62/565446662.db2.gz WZWRJBNXKGCRKE-UHFFFAOYSA-N 1 0 376.551 3.167 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3ccc(Br)cc3)CC2)CC1 ZINC000171729167 565446817 /nfs/dbraw/zinc/44/68/17/565446817.db2.gz XNEITRAKNIPMII-UHFFFAOYSA-N 1 0 378.314 3.388 20 30 GGEDRO C[N@@H+]1CCN(CCCNc2snc(Cl)c2C#N)[C@@H](c2ccccc2)C1 ZINC000301129336 565466298 /nfs/dbraw/zinc/46/62/98/565466298.db2.gz ZGFDSPYAUDHXFH-MRXNPFEDSA-N 1 0 375.929 3.459 20 30 GGEDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(OCC#N)cc1 ZINC000277165159 565480191 /nfs/dbraw/zinc/48/01/91/565480191.db2.gz ROARXIXMBUJWLB-CYBMUJFWSA-N 1 0 378.881 3.497 20 30 GGEDRO FC(F)C(F)(F)COCC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000189876742 565494843 /nfs/dbraw/zinc/49/48/43/565494843.db2.gz KXOWNNMLCVLEPK-UHFFFAOYSA-N 1 0 377.304 3.456 20 30 GGEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000189983742 565500380 /nfs/dbraw/zinc/50/03/80/565500380.db2.gz AAMKIVWPJXLVPH-AWEZNQCLSA-N 1 0 375.519 3.353 20 30 GGEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1snc(Cl)c1C#N ZINC000378039704 565509422 /nfs/dbraw/zinc/50/94/22/565509422.db2.gz SRYUSXNWENDJPK-UHFFFAOYSA-N 1 0 381.977 3.301 20 30 GGEDRO N#Cc1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Br)c1 ZINC000302046961 565527096 /nfs/dbraw/zinc/52/70/96/565527096.db2.gz LJIBJOIGXIJYDJ-KRWDZBQOSA-N 1 0 386.293 3.499 20 30 GGEDRO C[NH+](C)CCOc1cc(CNc2ccc(Br)cc2C#N)ccn1 ZINC000302091200 565529878 /nfs/dbraw/zinc/52/98/78/565529878.db2.gz PQETZSHKBZSPGS-UHFFFAOYSA-N 1 0 375.270 3.268 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000173274354 565543681 /nfs/dbraw/zinc/54/36/81/565543681.db2.gz DSVFDDCEFBOKEZ-UHFFFAOYSA-N 1 0 390.698 3.352 20 30 GGEDRO C#CC[NH+]1CCC(c2nc(-c3cc(Br)ccc3OC)no2)CC1 ZINC000278236774 565547672 /nfs/dbraw/zinc/54/76/72/565547672.db2.gz XZDNUBCFDKTKHA-UHFFFAOYSA-N 1 0 376.254 3.320 20 30 GGEDRO CCC(C)(C)NC(=S)C(C(=O)c1nccs1)[n+]1ccc(N(C)C)cc1 ZINC000278274665 565548794 /nfs/dbraw/zinc/54/87/94/565548794.db2.gz PDZBKBOVMJNURO-UHFFFAOYSA-O 1 0 377.559 3.214 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000173580442 565568499 /nfs/dbraw/zinc/56/84/99/565568499.db2.gz KJLZVHPDHKNKDC-AWEZNQCLSA-N 1 0 381.314 3.373 20 30 GGEDRO O=C(C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC(F)(F)F ZINC000393690214 565569962 /nfs/dbraw/zinc/56/99/62/565569962.db2.gz LSQWDAYUJMCTCU-UHFFFAOYSA-N 1 0 382.226 3.492 20 30 GGEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000278706701 565574096 /nfs/dbraw/zinc/57/40/96/565574096.db2.gz UBAOFUGNOHGGFA-WFASDCNBSA-N 1 0 377.286 3.187 20 30 GGEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000311049260 565579278 /nfs/dbraw/zinc/57/92/78/565579278.db2.gz UMTWAWGFYFONSV-CQSZACIVSA-N 1 0 377.897 3.010 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000408155255 565597069 /nfs/dbraw/zinc/59/70/69/565597069.db2.gz QCDJPIAHHVCWRX-IJEWVQPXSA-N 1 0 381.929 3.238 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000321565508 565605727 /nfs/dbraw/zinc/60/57/27/565605727.db2.gz NFNWXGZSVSPNDM-QGZVFWFLSA-N 1 0 375.266 3.192 20 30 GGEDRO C#CCn1ccc(CN(CC)CCC(=O)Nc2ccccc2Br)n1 ZINC000279685883 565627234 /nfs/dbraw/zinc/62/72/34/565627234.db2.gz HBROUGOEGIRCSV-UHFFFAOYSA-N 1 0 389.297 3.130 20 30 GGEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2cc(C#N)ccc2Br)C[C@@H](C)O1 ZINC000191778205 565630018 /nfs/dbraw/zinc/63/00/18/565630018.db2.gz AABMHZOSZVVSCU-RKVPGOIHSA-N 1 0 392.341 3.394 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000191787722 565631650 /nfs/dbraw/zinc/63/16/50/565631650.db2.gz OVAXTJNTUKFZNF-AWEZNQCLSA-N 1 0 386.297 3.238 20 30 GGEDRO COc1ccc(Br)c(C(=O)NCCC[NH2+]CC(C)(C)CCC#N)c1 ZINC000174373869 565632407 /nfs/dbraw/zinc/63/24/07/565632407.db2.gz CHDOSBPHPVDEGI-UHFFFAOYSA-N 1 0 396.329 3.497 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000328670534 565637965 /nfs/dbraw/zinc/63/79/65/565637965.db2.gz MSQRCCSTOJIOEI-TURNYIBQSA-N 1 0 398.276 3.008 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000328757320 565640922 /nfs/dbraw/zinc/64/09/22/565640922.db2.gz UYOMDHYECNMZNR-CVEARBPZSA-N 1 0 394.313 3.243 20 30 GGEDRO O=C(Nc1nnc(-c2ccccn2)s1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329156095 565657333 /nfs/dbraw/zinc/65/73/33/565657333.db2.gz AXFDLINGEJZCFT-CYBMUJFWSA-N 1 0 375.523 3.406 20 30 GGEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000329282046 565661656 /nfs/dbraw/zinc/66/16/56/565661656.db2.gz MTFLJYCCEJDGLX-GFCCVEGCSA-N 1 0 380.290 3.441 20 30 GGEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2C([O-])=[NH+]c2nc3ccsc3s2)C[C@@H](C)O1 ZINC000329408245 565665680 /nfs/dbraw/zinc/66/56/80/565665680.db2.gz DCOGVEAATXFAIC-JHJVBQTASA-N 1 0 380.539 3.477 20 30 GGEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CSc3ccccc3Cl)CC2)C1=O ZINC000329627811 565674063 /nfs/dbraw/zinc/67/40/63/565674063.db2.gz HAUOWMQUCSNJDD-OAHLLOKOSA-N 1 0 381.929 3.084 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(Br)s3)C2=O)cc1 ZINC000192241912 565674027 /nfs/dbraw/zinc/67/40/27/565674027.db2.gz NGAPHMSRTZDRTP-HNNXBMFYSA-N 1 0 390.306 3.273 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000329709047 565676592 /nfs/dbraw/zinc/67/65/92/565676592.db2.gz LINNFXDWCUOOBI-WQVCFCJDSA-N 1 0 381.929 3.294 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C[N@@H+]1C1CC1 ZINC000329731564 565677868 /nfs/dbraw/zinc/67/78/68/565677868.db2.gz IHEPPDDYFKQNQB-IAQYHMDHSA-N 1 0 394.313 3.013 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000329779951 565680255 /nfs/dbraw/zinc/68/02/55/565680255.db2.gz RKUWBUFAAINERV-RLCCDNCMSA-N 1 0 394.313 3.259 20 30 GGEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000329811619 565680659 /nfs/dbraw/zinc/68/06/59/565680659.db2.gz BXHMJDLNWGPUGT-INIZCTEOSA-N 1 0 396.329 3.189 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000329810479 565680939 /nfs/dbraw/zinc/68/09/39/565680939.db2.gz BNTACYBJTGTGCY-YGRLFVJLSA-N 1 0 381.270 3.008 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000329779950 565681225 /nfs/dbraw/zinc/68/12/25/565681225.db2.gz RKUWBUFAAINERV-LYRGGWFBSA-N 1 0 394.313 3.259 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000329827831 565681817 /nfs/dbraw/zinc/68/18/17/565681817.db2.gz JCTDDLOCFMAQHW-ABAIWWIYSA-N 1 0 395.297 3.202 20 30 GGEDRO C[C@@H]1OCC[C@@]12CN(CC(=O)NCCc1cccc(Cl)c1Cl)CCO2 ZINC000329904822 565684455 /nfs/dbraw/zinc/68/44/55/565684455.db2.gz JIQACXLKTQUCKO-SCLBCKFNSA-N 1 0 387.307 3.372 20 30 GGEDRO CC1(C)C[S@](=O)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000329958735 565687530 /nfs/dbraw/zinc/68/75/30/565687530.db2.gz QUEXGDLPKBSUEY-RUZDIDTESA-N 1 0 379.551 3.320 20 30 GGEDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000330097856 565692067 /nfs/dbraw/zinc/69/20/67/565692067.db2.gz BFVQYDRQKJXSNT-YPMHNXCESA-N 1 0 381.274 3.263 20 30 GGEDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000330097854 565692667 /nfs/dbraw/zinc/69/26/67/565692667.db2.gz BFVQYDRQKJXSNT-DGCLKSJQSA-N 1 0 381.274 3.263 20 30 GGEDRO CS[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2cccs2)C[C@@H]1[NH+]1CCCC1 ZINC000330122752 565693245 /nfs/dbraw/zinc/69/32/45/565693245.db2.gz KKKVYUHPGHEXPT-YQQAZPJKSA-N 1 0 381.567 3.194 20 30 GGEDRO O=C(Nc1ccc(Br)cn1)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000330134888 565694699 /nfs/dbraw/zinc/69/46/99/565694699.db2.gz SGKGQVFNIKENHV-CYBMUJFWSA-N 1 0 381.274 3.263 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280807711 565696537 /nfs/dbraw/zinc/69/65/37/565696537.db2.gz LQGHQCAHRCMTKB-KYJSFNMBSA-N 1 0 386.945 3.270 20 30 GGEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1Cl ZINC000175418051 565698607 /nfs/dbraw/zinc/69/86/07/565698607.db2.gz IKSHXYAUWSDYKK-UHFFFAOYSA-N 1 0 381.929 3.287 20 30 GGEDRO CCN1CCN(C(=O)Nc2ccc(F)c(Br)c2)C[C@H]1c1ncc[nH]1 ZINC000330343854 565701884 /nfs/dbraw/zinc/70/18/84/565701884.db2.gz CHXOYSGLGSDHHD-AWEZNQCLSA-N 1 0 396.264 3.236 20 30 GGEDRO CCOc1c(Cl)cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000330541361 565711474 /nfs/dbraw/zinc/71/14/74/565711474.db2.gz AFQCDOALAHRZGR-NWDGAFQWSA-N 1 0 390.311 3.325 20 30 GGEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)[C@@H](C)C1 ZINC000330556184 565712437 /nfs/dbraw/zinc/71/24/37/565712437.db2.gz GXDLQLBRHFUBAD-QWRGUYRKSA-N 1 0 390.709 3.035 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](c1ccccc1)[NH+](C)C ZINC000192863407 565715647 /nfs/dbraw/zinc/71/56/47/565715647.db2.gz KQXNBUXHOKKFCS-ACJLOTCBSA-N 1 0 377.897 3.181 20 30 GGEDRO COc1cc(Br)c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1OC ZINC000330720660 565720477 /nfs/dbraw/zinc/72/04/77/565720477.db2.gz XCIMQAFUPNGZJP-QWRGUYRKSA-N 1 0 386.290 3.036 20 30 GGEDRO C[C@H](NC(=O)c1ccc(I)c(O)c1)C(C)(C)C[NH+](C)C ZINC000330847990 565725539 /nfs/dbraw/zinc/72/55/39/565725539.db2.gz CTOJWENNQIJFRT-JTQLQIEISA-N 1 0 390.265 3.278 20 30 GGEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(I)c(O)c1 ZINC000330880740 565727160 /nfs/dbraw/zinc/72/71/60/565727160.db2.gz YOPRTZLNSHJTHB-LBPRGKRZSA-N 1 0 388.249 3.176 20 30 GGEDRO COc1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc(OC)c1Br ZINC000330883732 565727192 /nfs/dbraw/zinc/72/71/92/565727192.db2.gz KBDZKUWWYHMTBL-WDEREUQCSA-N 1 0 386.290 3.036 20 30 GGEDRO COc1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc(OC)c1Br ZINC000330883729 565727241 /nfs/dbraw/zinc/72/72/41/565727241.db2.gz KBDZKUWWYHMTBL-GHMZBOCLSA-N 1 0 386.290 3.036 20 30 GGEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(I)c(O)c2)C1 ZINC000330879449 565727780 /nfs/dbraw/zinc/72/77/80/565727780.db2.gz XYUQKDQPGNRVHR-NWDGAFQWSA-N 1 0 388.249 3.174 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000281602159 565738916 /nfs/dbraw/zinc/73/89/16/565738916.db2.gz BBVGODUCIRQESD-UHFFFAOYSA-N 1 0 388.270 3.228 20 30 GGEDRO COc1ccc(Br)cc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000331098721 565739193 /nfs/dbraw/zinc/73/91/93/565739193.db2.gz AGHNIPKDTRWLGC-HNNXBMFYSA-N 1 0 388.331 3.221 20 30 GGEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000331167606 565743472 /nfs/dbraw/zinc/74/34/72/565743472.db2.gz IJDBMXDPKIZKNA-WDEREUQCSA-N 1 0 379.810 3.291 20 30 GGEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)[C@H](C)C1 ZINC000331183495 565744482 /nfs/dbraw/zinc/74/44/82/565744482.db2.gz NPOJHYULXIHKTH-MNOVXSKESA-N 1 0 390.709 3.035 20 30 GGEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000331199936 565745537 /nfs/dbraw/zinc/74/55/37/565745537.db2.gz WFNLSRLZSFKNLY-WDEREUQCSA-N 1 0 390.709 3.035 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)NC(=O)NC(C)(C)C ZINC000331214584 565746600 /nfs/dbraw/zinc/74/66/00/565746600.db2.gz BQYAQRJFHXAPLR-DTWKUNHWSA-N 1 0 376.320 3.378 20 30 GGEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2C)CC1 ZINC000331265037 565751027 /nfs/dbraw/zinc/75/10/27/565751027.db2.gz HBGJZXABDFHBSE-UHFFFAOYSA-N 1 0 382.302 3.336 20 30 GGEDRO CC[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[N@@H+]1C[C@H](C)O ZINC000331278965 565752053 /nfs/dbraw/zinc/75/20/53/565752053.db2.gz DRQRFRDPDDCCQF-QWRGUYRKSA-N 1 0 378.275 3.455 20 30 GGEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000281895549 565755124 /nfs/dbraw/zinc/75/51/24/565755124.db2.gz FCNXPLSQQTWDEB-MRXNPFEDSA-N 1 0 394.313 3.008 20 30 GGEDRO Cc1nc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)s1 ZINC000331361352 565756725 /nfs/dbraw/zinc/75/67/25/565756725.db2.gz YXUQIOHLAIMAAX-SNVBAGLBSA-N 1 0 389.319 3.156 20 30 GGEDRO COc1cc(Br)cc(C)c1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000176324000 565764207 /nfs/dbraw/zinc/76/42/07/565764207.db2.gz FYSCLBOKWSDNOV-UHFFFAOYSA-N 1 0 397.317 3.465 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c1 ZINC000412053622 565768007 /nfs/dbraw/zinc/76/80/07/565768007.db2.gz FSWQFBQIFKWKTH-INIZCTEOSA-N 1 0 376.298 3.298 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1 ZINC000412053623 565768623 /nfs/dbraw/zinc/76/86/23/565768623.db2.gz FSWQFBQIFKWKTH-MRXNPFEDSA-N 1 0 376.298 3.298 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1OCC ZINC000193677519 565769631 /nfs/dbraw/zinc/76/96/31/565769631.db2.gz ZIYBZZAFNFJJQO-LRDDRELGSA-N 1 0 397.313 3.027 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccoc1Br ZINC000193784389 565775909 /nfs/dbraw/zinc/77/59/09/565775909.db2.gz SLSIFNFCXAWNIK-UHFFFAOYSA-N 1 0 376.254 3.118 20 30 GGEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(C#N)s2)s1 ZINC000176962745 565818665 /nfs/dbraw/zinc/81/86/65/565818665.db2.gz BQBFGGHKRIJDPW-UHFFFAOYSA-N 1 0 383.564 3.044 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OCC ZINC000194536272 565821479 /nfs/dbraw/zinc/82/14/79/565821479.db2.gz YNUPFNLBEZZZHK-IYBDPMFKSA-N 1 0 395.341 3.406 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000283963878 565837030 /nfs/dbraw/zinc/83/70/30/565837030.db2.gz LUGKYKVHNADTQS-UHFFFAOYSA-N 1 0 382.258 3.046 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177260829 565839930 /nfs/dbraw/zinc/83/99/30/565839930.db2.gz PWHVVHUORKMYMS-UHFFFAOYSA-N 1 0 382.258 3.128 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000332514968 565841523 /nfs/dbraw/zinc/84/15/23/565841523.db2.gz OEQHZSGMJXTUEO-HNNXBMFYSA-N 1 0 381.567 3.285 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000195158867 565862778 /nfs/dbraw/zinc/86/27/78/565862778.db2.gz MFGUAIUUQMSKJF-DLBZAZTESA-N 1 0 378.314 3.247 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000195158877 565862785 /nfs/dbraw/zinc/86/27/85/565862785.db2.gz MFGUAIUUQMSKJF-IRXDYDNUSA-N 1 0 378.314 3.247 20 30 GGEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000284658945 565863425 /nfs/dbraw/zinc/86/34/25/565863425.db2.gz GIKAVEAPABOACM-LJQANCHMSA-N 1 0 399.292 3.073 20 30 GGEDRO N#Cc1csc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c1 ZINC000177693770 565867732 /nfs/dbraw/zinc/86/77/32/565867732.db2.gz GFZLWMHHWNZBME-UHFFFAOYSA-N 1 0 378.295 3.292 20 30 GGEDRO N#Cc1csc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1 ZINC000177707268 565869435 /nfs/dbraw/zinc/86/94/35/565869435.db2.gz DLCAEAIULXHKAZ-UHFFFAOYSA-N 1 0 395.575 3.188 20 30 GGEDRO N#Cc1cccc(NC(=O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000284799154 565871349 /nfs/dbraw/zinc/87/13/49/565871349.db2.gz OKOITLPPQIYSCH-SFHVURJKSA-N 1 0 385.265 3.395 20 30 GGEDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCSCc1ccccc1C#N ZINC000177822068 565874892 /nfs/dbraw/zinc/87/48/92/565874892.db2.gz TTWSCLAONIGXCX-CYBMUJFWSA-N 1 0 379.327 3.429 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000333354628 565878454 /nfs/dbraw/zinc/87/84/54/565878454.db2.gz RWIFFMZNRTXHRT-KBPBESRZSA-N 1 0 377.286 3.174 20 30 GGEDRO C=CCN1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000177904914 565880281 /nfs/dbraw/zinc/88/02/81/565880281.db2.gz OFINMNSONOASSM-CQSZACIVSA-N 1 0 380.330 3.406 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000414782250 565959974 /nfs/dbraw/zinc/95/99/74/565959974.db2.gz OCVDBWOCEUAGMS-GOEBONIOSA-N 1 0 381.314 3.206 20 30 GGEDRO C=CCOc1c(Br)cc(CN[C@H](CC[NH3+])C(F)F)cc1OC ZINC000414990035 565967838 /nfs/dbraw/zinc/96/78/38/565967838.db2.gz NSTSYRSOPYDUEE-GFCCVEGCSA-N 1 0 379.245 3.095 20 30 GGEDRO C=CCOc1c(Br)cc(CN[C@@H](CC[NH3+])C(F)F)cc1OC ZINC000414990036 565968149 /nfs/dbraw/zinc/96/81/49/565968149.db2.gz NSTSYRSOPYDUEE-LBPRGKRZSA-N 1 0 379.245 3.095 20 30 GGEDRO C[N@@H+]1CCC[C@@H]1CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000245708868 566003247 /nfs/dbraw/zinc/00/32/47/566003247.db2.gz MXJWNDOYVKGZKV-RTBURBONSA-N 1 0 391.357 3.116 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]CCCn3cc(Br)cn3)CC2)cc1 ZINC000287240356 566006086 /nfs/dbraw/zinc/00/60/86/566006086.db2.gz HFAPPJQTWBKFHB-UHFFFAOYSA-N 1 0 388.313 3.166 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287323185 566011573 /nfs/dbraw/zinc/01/15/73/566011573.db2.gz VIHQZHIJJUAVPG-UHFFFAOYSA-N 1 0 378.274 3.020 20 30 GGEDRO C[C@@](Cc1cccc(Br)c1)([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000179962071 566022037 /nfs/dbraw/zinc/02/20/37/566022037.db2.gz NSOXTAUXBPDONJ-IBGZPJMESA-N 1 0 386.293 3.136 20 30 GGEDRO [NH3+]CC[C@@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000415986441 566024056 /nfs/dbraw/zinc/02/40/56/566024056.db2.gz ANYINABTCCZJKI-SCZZXKLOSA-N 1 0 379.251 3.147 20 30 GGEDRO [NH3+]CC[C@@H](NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000416004151 566025043 /nfs/dbraw/zinc/02/50/43/566025043.db2.gz HZGNIAVFONFXQH-GHMZBOCLSA-N 1 0 375.288 3.398 20 30 GGEDRO C[C@](C#N)(NC(=O)CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000246427486 566028547 /nfs/dbraw/zinc/02/85/47/566028547.db2.gz KBVYQZHFRAHJMN-RDTXWAMCSA-N 1 0 382.291 3.255 20 30 GGEDRO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180539321 566071271 /nfs/dbraw/zinc/07/12/71/566071271.db2.gz PWPWYHXWSUXUIT-HNNXBMFYSA-N 1 0 376.909 3.293 20 30 GGEDRO Cn1cc(C[NH2+]CCCn2cc(Br)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000288461022 566075866 /nfs/dbraw/zinc/07/58/66/566075866.db2.gz NXZINIKGSUIREZ-UHFFFAOYSA-N 1 0 399.296 3.098 20 30 GGEDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000416556986 566087429 /nfs/dbraw/zinc/08/74/29/566087429.db2.gz MPFWQLXOHSLGIR-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(C#N)ccc1Br ZINC000365193260 566089142 /nfs/dbraw/zinc/08/91/42/566089142.db2.gz ZTENBLVKYZYIGJ-KBAYOESNSA-N 1 0 378.314 3.004 20 30 GGEDRO CC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Br)cc1 ZINC000180879481 566096300 /nfs/dbraw/zinc/09/63/00/566096300.db2.gz VDBMKPSSAGJNBX-UPTRSRDDSA-N 1 0 378.270 3.016 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)CC1 ZINC000180879382 566096349 /nfs/dbraw/zinc/09/63/49/566096349.db2.gz YQHMWERDDJKOQX-UHFFFAOYSA-N 1 0 385.291 3.302 20 30 GGEDRO CC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Br)cc1 ZINC000180879466 566096648 /nfs/dbraw/zinc/09/66/48/566096648.db2.gz VDBMKPSSAGJNBX-HYEKCJMVSA-N 1 0 378.270 3.016 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(Br)c1 ZINC000181103506 566114983 /nfs/dbraw/zinc/11/49/83/566114983.db2.gz BSWGEBMTTBJRGY-OAHLLOKOSA-N 1 0 386.297 3.238 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000181437296 566141204 /nfs/dbraw/zinc/14/12/04/566141204.db2.gz WFKFZRCWAQSNKY-LJQANCHMSA-N 1 0 391.357 3.117 20 30 GGEDRO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000181555998 566148766 /nfs/dbraw/zinc/14/87/66/566148766.db2.gz YZLGBWWGQVNWDI-INIZCTEOSA-N 1 0 394.313 3.357 20 30 GGEDRO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000181555970 566149310 /nfs/dbraw/zinc/14/93/10/566149310.db2.gz YZLGBWWGQVNWDI-MRXNPFEDSA-N 1 0 394.313 3.357 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000290135687 566158406 /nfs/dbraw/zinc/15/84/06/566158406.db2.gz BEHSBZNZAIZPIG-UHFFFAOYSA-N 1 0 378.826 3.020 20 30 GGEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OCC#N)cc1 ZINC000181996225 566177011 /nfs/dbraw/zinc/17/70/11/566177011.db2.gz QLMQGYFZWXRXKM-CQSZACIVSA-N 1 0 378.881 3.367 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000182074877 566180794 /nfs/dbraw/zinc/18/07/94/566180794.db2.gz ZQEYFLDVFFLKQE-CHWSQXEVSA-N 1 0 382.302 3.116 20 30 GGEDRO COC(=O)C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccc(Br)c1 ZINC000290620698 566182281 /nfs/dbraw/zinc/18/22/81/566182281.db2.gz XHAOBVBNKXRPAY-MRXNPFEDSA-N 1 0 376.254 3.053 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418318088 566209315 /nfs/dbraw/zinc/20/93/15/566209315.db2.gz NHOVEZNPUYNUKU-ZDUSSCGKSA-N 1 0 384.293 3.285 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418336380 566210422 /nfs/dbraw/zinc/21/04/22/566210422.db2.gz IKCVXKLAGMMXRK-ZDUSSCGKSA-N 1 0 384.293 3.285 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018439 566234915 /nfs/dbraw/zinc/23/49/15/566234915.db2.gz PZVXBKNVMHZKBY-DZGCQCFKSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183034313 566235937 /nfs/dbraw/zinc/23/59/37/566235937.db2.gz MZFPIQOLYLLCRF-KGLIPLIRSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183034252 566235973 /nfs/dbraw/zinc/23/59/73/566235973.db2.gz MZFPIQOLYLLCRF-UONOGXRCSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183034294 566236191 /nfs/dbraw/zinc/23/61/91/566236191.db2.gz MZFPIQOLYLLCRF-KBPBESRZSA-N 1 0 381.929 3.143 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)COc1ccccc1C#N ZINC000599388769 566260067 /nfs/dbraw/zinc/26/00/67/566260067.db2.gz OTNCVBYXHDEERQ-OAHLLOKOSA-N 1 0 393.256 3.332 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599416136 566264542 /nfs/dbraw/zinc/26/45/42/566264542.db2.gz SZBFBGUNFXFRGD-HNNXBMFYSA-N 1 0 377.535 3.092 20 30 GGEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526736 566271924 /nfs/dbraw/zinc/27/19/24/566271924.db2.gz QXMNNCWMECBPAP-MRXNPFEDSA-N 1 0 396.354 3.378 20 30 GGEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526735 566272668 /nfs/dbraw/zinc/27/26/68/566272668.db2.gz QXMNNCWMECBPAP-INIZCTEOSA-N 1 0 396.354 3.378 20 30 GGEDRO CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(Br)cc2C#N)C1 ZINC000575773158 566283489 /nfs/dbraw/zinc/28/34/89/566283489.db2.gz LYMIDDVPVUKZBH-AWEZNQCLSA-N 1 0 378.314 3.305 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CCCCC1 ZINC000599665264 566285009 /nfs/dbraw/zinc/28/50/09/566285009.db2.gz HUGZKVYKRSFVNQ-MRXNPFEDSA-N 1 0 384.307 3.349 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)CC(F)(F)F)cc1OC ZINC000535247741 566288827 /nfs/dbraw/zinc/28/88/27/566288827.db2.gz SBGKSYAPADALJT-LLVKDONJSA-N 1 0 398.219 3.425 20 30 GGEDRO [NH3+]CC[C@@H](NC(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)F ZINC000669387118 566298104 /nfs/dbraw/zinc/29/81/04/566298104.db2.gz VPIWXBRKGMZBCE-RYPBNFRJSA-N 1 0 385.299 3.178 20 30 GGEDRO N#Cc1ccc(C[NH2+]CCOc2ccc(I)cc2)c(F)c1 ZINC000509441855 566305845 /nfs/dbraw/zinc/30/58/45/566305845.db2.gz ZWTMCIRWSCKWQW-UHFFFAOYSA-N 1 0 396.203 3.471 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000576090819 566315190 /nfs/dbraw/zinc/31/51/90/566315190.db2.gz OPWRXDKHKPNGAW-CHWSQXEVSA-N 1 0 380.286 3.087 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CCN2CCCC2=O)cc1OCC ZINC000576113887 566316759 /nfs/dbraw/zinc/31/67/59/566316759.db2.gz BJBHDMWGZZYADM-UHFFFAOYSA-N 1 0 397.313 3.125 20 30 GGEDRO Cn1cc(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1C#N ZINC000576194679 566323097 /nfs/dbraw/zinc/32/30/97/566323097.db2.gz MWINBKNQUUGMRH-UHFFFAOYSA-N 1 0 375.314 3.223 20 30 GGEDRO C[C@@H]1C[C@H]([NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCO1 ZINC000420935230 566329927 /nfs/dbraw/zinc/32/99/27/566329927.db2.gz JNTWABDUZMAGMS-ZTFGCOKTSA-N 1 0 378.314 3.199 20 30 GGEDRO C=CCC[C@H](CC)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000556912990 566343718 /nfs/dbraw/zinc/34/37/18/566343718.db2.gz OZHAHWLPOWNKOP-AWEZNQCLSA-N 1 0 389.359 3.452 20 30 GGEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000576520332 566353152 /nfs/dbraw/zinc/35/31/52/566353152.db2.gz LRYHLYKPSJZQSB-QRQLOZEOSA-N 1 0 392.341 3.182 20 30 GGEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625699285 566353102 /nfs/dbraw/zinc/35/31/02/566353102.db2.gz CWINLOHIUPDIGF-JKSUJKDBSA-N 1 0 381.339 3.402 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000557018963 566355008 /nfs/dbraw/zinc/35/50/08/566355008.db2.gz JHNXPMABQYJFBU-TZMCWYRMSA-N 1 0 380.286 3.230 20 30 GGEDRO Cc1c(Br)cccc1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600750919 566362382 /nfs/dbraw/zinc/36/23/82/566362382.db2.gz XQKAQBIRHMNPLQ-INIZCTEOSA-N 1 0 375.266 3.159 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)cc1F ZINC000421384619 566371760 /nfs/dbraw/zinc/37/17/60/566371760.db2.gz KJHIPIPBGHKZKA-OAHLLOKOSA-N 1 0 377.257 3.401 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000510300225 566373715 /nfs/dbraw/zinc/37/37/15/566373715.db2.gz YLYGHEKLOHRLBY-UHFFFAOYSA-N 1 0 394.313 3.013 20 30 GGEDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000510362722 566378115 /nfs/dbraw/zinc/37/81/15/566378115.db2.gz IHTXHJHGLNWTHS-WFASDCNBSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000510398533 566379329 /nfs/dbraw/zinc/37/93/29/566379329.db2.gz WCXQFEAQMZVNGL-WBMJQRKESA-N 1 0 381.885 3.212 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1OC ZINC000536679586 566392359 /nfs/dbraw/zinc/39/23/59/566392359.db2.gz GZOLVSVBJOUYDJ-GOEBONIOSA-N 1 0 381.314 3.206 20 30 GGEDRO C[N@H+](CCc1cccc(Br)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000463426824 566411167 /nfs/dbraw/zinc/41/11/67/566411167.db2.gz RDYYPNLKFBRRFZ-SFHVURJKSA-N 1 0 389.293 3.235 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc(Br)c1 ZINC000463428364 566411437 /nfs/dbraw/zinc/41/14/37/566411437.db2.gz KOXCWVYZEDIWDN-KDOFPFPSSA-N 1 0 380.330 3.366 20 30 GGEDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000447534006 566414750 /nfs/dbraw/zinc/41/47/50/566414750.db2.gz UHTOMLBAEQKDJZ-SFHVURJKSA-N 1 0 377.897 3.231 20 30 GGEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000537097113 566422901 /nfs/dbraw/zinc/42/29/01/566422901.db2.gz AMXQHOHOQUVRAF-JSGCOSHPSA-N 1 0 379.302 3.173 20 30 GGEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CCc2cccc(Cl)c2Cl)c1 ZINC000577363584 566429259 /nfs/dbraw/zinc/42/92/59/566429259.db2.gz XPNBAZLHEQGTHD-UHFFFAOYSA-N 1 0 383.300 3.471 20 30 GGEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1ccc(C#N)s1 ZINC000422216928 566441782 /nfs/dbraw/zinc/44/17/82/566441782.db2.gz JYOHUUBPPUIRMB-UHFFFAOYSA-N 1 0 376.448 3.426 20 30 GGEDRO C[NH+](C)CCN(Cc1ncc(Br)s1)Cc1ccc(C#N)cc1 ZINC000577562060 566445364 /nfs/dbraw/zinc/44/53/64/566445364.db2.gz OQJNAFFLDVQBIJ-UHFFFAOYSA-N 1 0 379.327 3.341 20 30 GGEDRO C=CCNC(=O)C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000558134032 566451233 /nfs/dbraw/zinc/45/12/33/566451233.db2.gz NHWPVCTWJRDZLK-ZDUSSCGKSA-N 1 0 377.282 3.261 20 30 GGEDRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602527931 566475978 /nfs/dbraw/zinc/47/59/78/566475978.db2.gz KFWAVXLTPNWOOL-AWEZNQCLSA-N 1 0 394.313 3.385 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000602529063 566476638 /nfs/dbraw/zinc/47/66/38/566476638.db2.gz DNXMINADYYXJNZ-LSDHHAIUSA-N 1 0 382.327 3.163 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000602544262 566478159 /nfs/dbraw/zinc/47/81/59/566478159.db2.gz GREJYLZZAQMSPN-ZBFHGGJFSA-N 1 0 389.297 3.445 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000602585601 566479655 /nfs/dbraw/zinc/47/96/55/566479655.db2.gz HGUWMLLJCQLKQW-LBPRGKRZSA-N 1 0 381.270 3.366 20 30 GGEDRO N#Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000448609430 566482404 /nfs/dbraw/zinc/48/24/04/566482404.db2.gz YLNLCWJIIKWOMP-MRXNPFEDSA-N 1 0 384.277 3.325 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000602635433 566483362 /nfs/dbraw/zinc/48/33/62/566483362.db2.gz DRWQPCBAZXCLGI-NVXWUHKLSA-N 1 0 395.341 3.289 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000602636510 566483468 /nfs/dbraw/zinc/48/34/68/566483468.db2.gz IXIQKVFLNPRLAY-CVEARBPZSA-N 1 0 395.341 3.289 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000602635431 566484065 /nfs/dbraw/zinc/48/40/65/566484065.db2.gz DRWQPCBAZXCLGI-DOTOQJQBSA-N 1 0 395.341 3.289 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(C#N)c1Br)c1ccsc1 ZINC000448671015 566485822 /nfs/dbraw/zinc/48/58/22/566485822.db2.gz MOGJHOPMZDILJI-CQSZACIVSA-N 1 0 378.295 3.415 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(C#N)c1Br)c1ccsc1 ZINC000448671014 566486552 /nfs/dbraw/zinc/48/65/52/566486552.db2.gz MOGJHOPMZDILJI-AWEZNQCLSA-N 1 0 378.295 3.415 20 30 GGEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1Br ZINC000448755542 566492750 /nfs/dbraw/zinc/49/27/50/566492750.db2.gz FKLFZSZBHRUSMP-MRXNPFEDSA-N 1 0 386.293 3.223 20 30 GGEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1Br ZINC000448755541 566493606 /nfs/dbraw/zinc/49/36/06/566493606.db2.gz FKLFZSZBHRUSMP-INIZCTEOSA-N 1 0 386.293 3.223 20 30 GGEDRO N#CCC1(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000602790822 566494377 /nfs/dbraw/zinc/49/43/77/566494377.db2.gz KSAKXRLGNJBDPX-ZDUSSCGKSA-N 1 0 377.286 3.188 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c(Br)c1 ZINC000602894663 566498952 /nfs/dbraw/zinc/49/89/52/566498952.db2.gz YREGCOFMLHELCO-IRXDYDNUSA-N 1 0 379.298 3.121 20 30 GGEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448788580 566498916 /nfs/dbraw/zinc/49/89/16/566498916.db2.gz XVIOOVASOXRCIG-MJBXVCDLSA-N 1 0 378.314 3.417 20 30 GGEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000538200448 566499099 /nfs/dbraw/zinc/49/90/99/566499099.db2.gz KISMWLFJGRNCLN-OAHLLOKOSA-N 1 0 376.909 3.293 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2c(Br)cccc2cn1 ZINC000448802395 566500120 /nfs/dbraw/zinc/50/01/20/566500120.db2.gz VWSAHGRFPBTZMM-UHFFFAOYSA-N 1 0 389.297 3.305 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000558735811 566503905 /nfs/dbraw/zinc/50/39/05/566503905.db2.gz STPRYMPBKZEXEK-CQSZACIVSA-N 1 0 381.295 3.106 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000424106729 566512641 /nfs/dbraw/zinc/51/26/41/566512641.db2.gz SVALBUKLJYNAKD-MRXNPFEDSA-N 1 0 384.307 3.179 20 30 GGEDRO N#Cc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1Br ZINC000448935464 566514134 /nfs/dbraw/zinc/51/41/34/566514134.db2.gz IMLPCMXXNDOLJP-HNNXBMFYSA-N 1 0 376.298 3.411 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)NCCCCSc1ccccc1Br ZINC000424135144 566514717 /nfs/dbraw/zinc/51/47/17/566514717.db2.gz IYATUAQLEZXYBD-AWEZNQCLSA-N 1 0 384.343 3.459 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000512171641 566518890 /nfs/dbraw/zinc/51/88/90/566518890.db2.gz XZYCBWDMZLQYQH-INIZCTEOSA-N 1 0 384.307 3.349 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(Br)c(=O)[nH]c1C)C(C)C ZINC000512334344 566527119 /nfs/dbraw/zinc/52/71/19/566527119.db2.gz QEWHSGTXCFGMKE-MRXNPFEDSA-N 1 0 396.329 3.287 20 30 GGEDRO N#Cc1ccc(OCc2nc(C3([NH3+])CCCCC3)no2)cc1Br ZINC000424348590 566528493 /nfs/dbraw/zinc/52/84/93/566528493.db2.gz PGKTUQLTYBQBPS-UHFFFAOYSA-N 1 0 377.242 3.401 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449104359 566528896 /nfs/dbraw/zinc/52/88/96/566528896.db2.gz VLVBHRRKIPGRRF-CQSZACIVSA-N 1 0 394.313 3.080 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449104358 566529730 /nfs/dbraw/zinc/52/97/30/566529730.db2.gz VLVBHRRKIPGRRF-AWEZNQCLSA-N 1 0 394.313 3.080 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cc(F)cc(Br)c1 ZINC000485828818 566531475 /nfs/dbraw/zinc/53/14/75/566531475.db2.gz IVHANDOOVSDYDN-WBVHZDCISA-N 1 0 382.277 3.437 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000485843578 566532490 /nfs/dbraw/zinc/53/24/90/566532490.db2.gz JWNSOIFVXKFNSP-YGRLFVJLSA-N 1 0 386.265 3.029 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000485843575 566532713 /nfs/dbraw/zinc/53/27/13/566532713.db2.gz JWNSOIFVXKFNSP-HZMBPMFUSA-N 1 0 386.265 3.029 20 30 GGEDRO CC1(C)CC(NC(=O)COc2cccc(Br)c2C#N)CC(C)(C)[NH2+]1 ZINC000449196791 566535305 /nfs/dbraw/zinc/53/53/05/566535305.db2.gz ZAPNXGLEFZMQKD-UHFFFAOYSA-N 1 0 394.313 3.125 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)CC1 ZINC000465857796 566549631 /nfs/dbraw/zinc/54/96/31/566549631.db2.gz HRKQEMGCQMJGOK-UHFFFAOYSA-N 1 0 376.448 3.347 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000465857894 566549850 /nfs/dbraw/zinc/54/98/50/566549850.db2.gz JBMMZPGPEGGDNT-CQSZACIVSA-N 1 0 396.329 3.166 20 30 GGEDRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CC(C)(C)CCC#N ZINC000449333815 566550961 /nfs/dbraw/zinc/55/09/61/566550961.db2.gz WCJNGBPRXKOSGJ-ZDUSSCGKSA-N 1 0 396.329 3.382 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000512855129 566562267 /nfs/dbraw/zinc/56/22/67/566562267.db2.gz FTJFDQGQKBNKHS-DOTOQJQBSA-N 1 0 386.945 3.102 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000512855130 566562758 /nfs/dbraw/zinc/56/27/58/566562758.db2.gz FTJFDQGQKBNKHS-NVXWUHKLSA-N 1 0 386.945 3.102 20 30 GGEDRO C=CCC[C@H]([NH2+]CCN1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000539335794 566573898 /nfs/dbraw/zinc/57/38/98/566573898.db2.gz MRHJAPFGNHNAQH-INIZCTEOSA-N 1 0 376.444 3.338 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]CCn2cc(Br)cn2)ccc1OC ZINC000513027038 566574614 /nfs/dbraw/zinc/57/46/14/566574614.db2.gz IHPLQXFTWURTHM-UHFFFAOYSA-N 1 0 380.286 3.399 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)s1 ZINC000449596534 566578772 /nfs/dbraw/zinc/57/87/72/566578772.db2.gz BTBVWGLZAOICAL-LLVKDONJSA-N 1 0 383.286 3.462 20 30 GGEDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cccc(C#N)c2)cc1Br ZINC000449596857 566579217 /nfs/dbraw/zinc/57/92/17/566579217.db2.gz CKWPKOMHQZQTAN-QGZVFWFLSA-N 1 0 389.293 3.270 20 30 GGEDRO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1Br ZINC000449596861 566579224 /nfs/dbraw/zinc/57/92/24/566579224.db2.gz CLPHIHFAPHENPU-JYJNAYRXSA-N 1 0 381.314 3.281 20 30 GGEDRO N#Cc1cccc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449598971 566580390 /nfs/dbraw/zinc/58/03/90/566580390.db2.gz JRSBGTLRKKBBIU-HNNXBMFYSA-N 1 0 377.257 3.401 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCCc2ccc(Cl)s2)nc1 ZINC000579223672 566590960 /nfs/dbraw/zinc/59/09/60/566590960.db2.gz KLJYOZNFSLURPK-UHFFFAOYSA-N 1 0 383.926 3.054 20 30 GGEDRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449685214 566592552 /nfs/dbraw/zinc/59/25/52/566592552.db2.gz UFESMZUQQUKROY-GRDNDAEWSA-N 1 0 381.314 3.281 20 30 GGEDRO C[NH+](C)C1(CNC(=O)c2cccc(C#N)c2Br)Cc2ccccc2C1 ZINC000449935682 566617540 /nfs/dbraw/zinc/61/75/40/566617540.db2.gz SKXZUXUJCCUQBP-UHFFFAOYSA-N 1 0 398.304 3.150 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000560443577 566626781 /nfs/dbraw/zinc/62/67/81/566626781.db2.gz XGLORZQRCMAQSW-UHFFFAOYSA-N 1 0 379.302 3.493 20 30 GGEDRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425349755 566633319 /nfs/dbraw/zinc/63/33/19/566633319.db2.gz HEOPLEQZGZUJDQ-DZGCQCFKSA-N 1 0 395.297 3.481 20 30 GGEDRO N#Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Br ZINC000450182142 566642620 /nfs/dbraw/zinc/64/26/20/566642620.db2.gz ABBNWFQLRLFJDQ-PBHICJAKSA-N 1 0 388.309 3.410 20 30 GGEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000467457931 566648066 /nfs/dbraw/zinc/64/80/66/566648066.db2.gz XJBOYVAMEJGQSU-NSHDSACASA-N 1 0 398.315 3.406 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000540464707 566652126 /nfs/dbraw/zinc/65/21/26/566652126.db2.gz ZFQSQBJOWOVDHL-UOXLDJKESA-N 1 0 375.881 3.238 20 30 GGEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)c2Br)[C@@H]1c1ccccc1 ZINC000450274001 566652710 /nfs/dbraw/zinc/65/27/10/566652710.db2.gz FIZJGHYIMYDLQJ-AEFFLSMTSA-N 1 0 384.277 3.496 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000450277749 566653106 /nfs/dbraw/zinc/65/31/06/566653106.db2.gz NGAJDRSOYHNDLB-AWEZNQCLSA-N 1 0 378.314 3.419 20 30 GGEDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncc(Br)cc2C#N)cc1 ZINC000450410994 566669221 /nfs/dbraw/zinc/66/92/21/566669221.db2.gz WOCCCMWFQVDYJX-QGZVFWFLSA-N 1 0 375.270 3.096 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000450590546 566688017 /nfs/dbraw/zinc/68/80/17/566688017.db2.gz WEESWBVAVSTKRB-UHFFFAOYSA-N 1 0 399.292 3.362 20 30 GGEDRO CN(C)C[C@@](C)(C#N)NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000515304203 566703914 /nfs/dbraw/zinc/70/39/14/566703914.db2.gz UNJCQWGURNXFOA-CQSZACIVSA-N 1 0 399.339 3.208 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1[nH]nc(CC)c1Br)C(C)C ZINC000468508658 566705304 /nfs/dbraw/zinc/70/53/04/566705304.db2.gz VFKCLCQFDHPNFW-AWEZNQCLSA-N 1 0 383.334 3.163 20 30 GGEDRO COC(=O)C1CC[NH+](CCCNc2cccc(Br)c2C#N)CC1 ZINC000580635752 566710367 /nfs/dbraw/zinc/71/03/67/566710367.db2.gz GINMUKVSHWYDQN-UHFFFAOYSA-N 1 0 380.286 3.008 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C(N)=O)cc1 ZINC000541282627 566711142 /nfs/dbraw/zinc/71/11/42/566711142.db2.gz OYXHMMRKEQKDET-GOSISDBHSA-N 1 0 397.276 3.161 20 30 GGEDRO N#Cc1ccccc1OCC[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488200395 566714645 /nfs/dbraw/zinc/71/46/45/566714645.db2.gz MVGMVRFKFBUWMN-UHFFFAOYSA-N 1 0 375.266 3.194 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)C(F)F)cc1OCC ZINC000561534851 566717326 /nfs/dbraw/zinc/71/73/26/566717326.db2.gz WOKWRCDPFXKAFU-GFCCVEGCSA-N 1 0 380.229 3.128 20 30 GGEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000515559475 566720988 /nfs/dbraw/zinc/72/09/88/566720988.db2.gz QMEWMURDCIUFAD-STQMWFEESA-N 1 0 393.333 3.141 20 30 GGEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)CC(C)(C)CC#N)c2cccs2)CC1 ZINC000450989005 566730863 /nfs/dbraw/zinc/73/08/63/566730863.db2.gz PNPKXNLDWYBPRR-MRXNPFEDSA-N 1 0 383.583 3.380 20 30 GGEDRO N#CCCCCN(CCN1CCOCC1)Cc1sccc1Br ZINC000580944219 566736555 /nfs/dbraw/zinc/73/65/55/566736555.db2.gz TVBNHBGQTQLYMQ-UHFFFAOYSA-N 1 0 386.359 3.339 20 30 GGEDRO COC(=O)C1CC[NH+](CCCNc2cc(Br)c(C#N)cc2F)CC1 ZINC000581036638 566745979 /nfs/dbraw/zinc/74/59/79/566745979.db2.gz BVYVVOISEIRFBX-UHFFFAOYSA-N 1 0 398.276 3.147 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451064853 566747256 /nfs/dbraw/zinc/74/72/56/566747256.db2.gz SSLCXHMUMTWBCJ-HUUCEWRRSA-N 1 0 383.945 3.052 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427124191 566748241 /nfs/dbraw/zinc/74/82/41/566748241.db2.gz OVICDFJVMADORU-HOCLYGCPSA-N 1 0 381.314 3.206 20 30 GGEDRO C=CCOc1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1OC ZINC000561987295 566753908 /nfs/dbraw/zinc/75/39/08/566753908.db2.gz HPUDCRDLOWAYNH-UHFFFAOYSA-N 1 0 380.286 3.351 20 30 GGEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000541844318 566756044 /nfs/dbraw/zinc/75/60/44/566756044.db2.gz YMHLTXKXYAWBLM-UHFFFAOYSA-N 1 0 388.265 3.281 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000516291469 566756902 /nfs/dbraw/zinc/75/69/02/566756902.db2.gz WYROUNDEKAMFFV-CVEARBPZSA-N 1 0 395.341 3.454 20 30 GGEDRO CCN(CCC[NH+]1CCCC1)C(=O)COc1cccc(Br)c1C#N ZINC000451109462 566759431 /nfs/dbraw/zinc/75/94/31/566759431.db2.gz CQNVDMORFDOWBQ-UHFFFAOYSA-N 1 0 394.313 3.034 20 30 GGEDRO Cc1cc(C(C)(C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)ccc1Br ZINC000562059431 566760338 /nfs/dbraw/zinc/76/03/38/566760338.db2.gz DUWRYEFQSCUEEP-SFHVURJKSA-N 1 0 378.314 3.391 20 30 GGEDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451106410 566760356 /nfs/dbraw/zinc/76/03/56/566760356.db2.gz PKQSTEFPXUNOGZ-UHFFFAOYSA-N 1 0 383.945 3.147 20 30 GGEDRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451121586 566762483 /nfs/dbraw/zinc/76/24/83/566762483.db2.gz SDBAWCUFJVFYIP-UHFFFAOYSA-N 1 0 383.945 3.291 20 30 GGEDRO N#CCc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(Cl)c1 ZINC000451165686 566768866 /nfs/dbraw/zinc/76/88/66/566768866.db2.gz WCIPTSTUBRLEQX-MRXNPFEDSA-N 1 0 381.929 3.045 20 30 GGEDRO CC[N@H+](CCNC(=O)c1cccc(C#N)c1Br)CCC(F)(F)F ZINC000451174021 566770525 /nfs/dbraw/zinc/77/05/25/566770525.db2.gz VDQYRGHFHGLGFM-UHFFFAOYSA-N 1 0 392.219 3.325 20 30 GGEDRO N#Cc1ccccc1CSCC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000581424254 566776928 /nfs/dbraw/zinc/77/69/28/566776928.db2.gz HCTUPJWSRKMMBF-KRWDZBQOSA-N 1 0 376.909 3.474 20 30 GGEDRO N#CCc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000451220568 566778483 /nfs/dbraw/zinc/77/84/83/566778483.db2.gz RYSOEFBADSNNPC-MRXNPFEDSA-N 1 0 381.929 3.045 20 30 GGEDRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000562368565 566784786 /nfs/dbraw/zinc/78/47/86/566784786.db2.gz ZJBLTMXYZGZKQM-MRXNPFEDSA-N 1 0 376.298 3.225 20 30 GGEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000562368564 566785059 /nfs/dbraw/zinc/78/50/59/566785059.db2.gz ZJBLTMXYZGZKQM-INIZCTEOSA-N 1 0 376.298 3.225 20 30 GGEDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc(Br)cc2C#N)cc1 ZINC000451281155 566788706 /nfs/dbraw/zinc/78/87/06/566788706.db2.gz IWQFBFLFVVQQLQ-UHFFFAOYSA-N 1 0 386.293 3.355 20 30 GGEDRO COCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cncs1 ZINC000517009911 566799708 /nfs/dbraw/zinc/79/97/08/566799708.db2.gz FVALQGBJWNEFPK-UHFFFAOYSA-N 1 0 378.885 3.145 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655431346 566800227 /nfs/dbraw/zinc/80/02/27/566800227.db2.gz FBDCURWCWCTVAZ-YJBOKZPZSA-N 1 0 381.289 3.493 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451345319 566800822 /nfs/dbraw/zinc/80/08/22/566800822.db2.gz RPAZADXHSZXUJM-MRXNPFEDSA-N 1 0 383.945 3.052 20 30 GGEDRO CC[N@H+](CCOc1ccc(Br)cc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469598530 566802295 /nfs/dbraw/zinc/80/22/95/566802295.db2.gz IVQGVAADBQOGAA-AWEZNQCLSA-N 1 0 394.313 3.101 20 30 GGEDRO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CC(=O)NCC#N ZINC000542575817 566811646 /nfs/dbraw/zinc/81/16/46/566811646.db2.gz SDJAOPVVSWDSMH-JTQLQIEISA-N 1 0 393.310 3.171 20 30 GGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000562788761 566823924 /nfs/dbraw/zinc/82/39/24/566823924.db2.gz JOFJCRXJRDQVGM-LYRGGWFBSA-N 1 0 377.286 3.332 20 30 GGEDRO CC[NH+](CC)CCSCC(=O)N[C@H](C#N)c1ccccc1Br ZINC000610429023 566831443 /nfs/dbraw/zinc/83/14/43/566831443.db2.gz JPLOVUXCMDJSFD-OAHLLOKOSA-N 1 0 384.343 3.205 20 30 GGEDRO C[C@H](Sc1ccc(Br)cc1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000517581180 566832683 /nfs/dbraw/zinc/83/26/83/566832683.db2.gz GVUYEALYVRUBRT-LBPRGKRZSA-N 1 0 382.327 3.034 20 30 GGEDRO N#Cc1cccc(OCCC[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000542908145 566836310 /nfs/dbraw/zinc/83/63/10/566836310.db2.gz CXEBZJHESDKFDR-SFHVURJKSA-N 1 0 375.266 3.413 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000542909648 566837256 /nfs/dbraw/zinc/83/72/56/566837256.db2.gz LZYCVPCTCILSPL-MRXNPFEDSA-N 1 0 391.265 3.031 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H](C[NH2+]C)C2)cc1OC ZINC000470023144 566840383 /nfs/dbraw/zinc/84/03/83/566840383.db2.gz WXNYHDVDSYLOLS-AWEZNQCLSA-N 1 0 383.330 3.454 20 30 GGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000451614870 566850634 /nfs/dbraw/zinc/85/06/34/566850634.db2.gz SUBVMNPQESOMSH-ZACQAIPSSA-N 1 0 393.325 3.494 20 30 GGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000451614869 566850687 /nfs/dbraw/zinc/85/06/87/566850687.db2.gz SUBVMNPQESOMSH-IKGGRYGDSA-N 1 0 393.325 3.494 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C)cc(I)c2)CC1 ZINC000490661853 566873490 /nfs/dbraw/zinc/87/34/90/566873490.db2.gz LFZFHOMOZGKHGC-UHFFFAOYSA-N 1 0 399.276 3.372 20 30 GGEDRO CC(C)[NH+]1CCN([C@H]2CCN(c3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000563428080 566883722 /nfs/dbraw/zinc/88/37/22/566883722.db2.gz TYLWGWMMDAVPQI-HNNXBMFYSA-N 1 0 395.320 3.065 20 30 GGEDRO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(Br)c1 ZINC000518598726 566893580 /nfs/dbraw/zinc/89/35/80/566893580.db2.gz TZOCAKGLSPRZMY-SFHVURJKSA-N 1 0 378.314 3.468 20 30 GGEDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000518643181 566896917 /nfs/dbraw/zinc/89/69/17/566896917.db2.gz OANVODZCFZQXEJ-UHFFFAOYSA-N 1 0 377.897 3.142 20 30 GGEDRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CCN(CC#N)CC1 ZINC000611198680 566899180 /nfs/dbraw/zinc/89/91/80/566899180.db2.gz FHLUZVLKIKSSOY-UHFFFAOYSA-N 1 0 388.313 3.021 20 30 GGEDRO N#CC1(CCC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)CCOCC1 ZINC000429026503 566903025 /nfs/dbraw/zinc/90/30/25/566903025.db2.gz YQPFFIVSCLIHPV-MRXNPFEDSA-N 1 0 385.277 3.312 20 30 GGEDRO N#CC1(NC(=O)CN2CCC[C@H]2Cc2ccccc2Br)CCC1 ZINC000582898424 566903439 /nfs/dbraw/zinc/90/34/39/566903439.db2.gz JEQZTCDDDQHBBG-HNNXBMFYSA-N 1 0 376.298 3.018 20 30 GGEDRO C=CCOCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000470774502 566903338 /nfs/dbraw/zinc/90/33/38/566903338.db2.gz USEVONBVPABONO-CQSZACIVSA-N 1 0 382.302 3.087 20 30 GGEDRO N#CC1(NC(=O)CN2CCC[C@@H]2Cc2ccccc2Br)CCC1 ZINC000582898425 566903771 /nfs/dbraw/zinc/90/37/71/566903771.db2.gz JEQZTCDDDQHBBG-OAHLLOKOSA-N 1 0 376.298 3.018 20 30 GGEDRO N#Cc1cccc(OCC[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000543809810 566913315 /nfs/dbraw/zinc/91/33/15/566913315.db2.gz LIMXJFIPJWZWHP-GOSISDBHSA-N 1 0 375.266 3.413 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611389556 566914982 /nfs/dbraw/zinc/91/49/82/566914982.db2.gz ZKJMUJACIQXXMB-SUMWQHHRSA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386238 566915102 /nfs/dbraw/zinc/91/51/02/566915102.db2.gz GKJHKDKFCLCPBU-GUYCJALGSA-N 1 0 375.266 3.411 20 30 GGEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429273634 566918557 /nfs/dbraw/zinc/91/85/57/566918557.db2.gz NDINKWLVDXRFAC-IEBWSBKVSA-N 1 0 390.325 3.471 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)CCC#N ZINC000429280379 566918717 /nfs/dbraw/zinc/91/87/17/566918717.db2.gz YLRVAZJBXXSACL-MLGOLLRUSA-N 1 0 378.314 3.423 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429273638 566918905 /nfs/dbraw/zinc/91/89/05/566918905.db2.gz NDINKWLVDXRFAC-MJGOQNOKSA-N 1 0 390.325 3.471 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429272903 566919238 /nfs/dbraw/zinc/91/92/38/566919238.db2.gz LBMRLIDBEIHEQU-QGZVFWFLSA-N 1 0 378.314 3.424 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000611500426 566921671 /nfs/dbraw/zinc/92/16/71/566921671.db2.gz ZVPOZWDEPNRXCK-KRWDZBQOSA-N 1 0 378.314 3.007 20 30 GGEDRO C=C(C)C[NH+]1CCC(NCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000583113872 566922002 /nfs/dbraw/zinc/92/20/02/566922002.db2.gz QRLVHJSTWCZDML-UHFFFAOYSA-N 1 0 390.329 3.160 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429309553 566922265 /nfs/dbraw/zinc/92/22/65/566922265.db2.gz RSJGHWGNQLVXIH-NHYWBVRUSA-N 1 0 394.313 3.062 20 30 GGEDRO N#Cc1ccc(Br)c(CN2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000492661046 566936203 /nfs/dbraw/zinc/93/62/03/566936203.db2.gz ZXNNILLPGVDLHS-UHFFFAOYSA-N 1 0 392.341 3.255 20 30 GGEDRO C[NH+](C)CCOc1cc(CNc2cccc(Br)c2C#N)ccn1 ZINC000519570418 566947998 /nfs/dbraw/zinc/94/79/98/566947998.db2.gz AXYKBSKEYUSVHE-UHFFFAOYSA-N 1 0 375.270 3.268 20 30 GGEDRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)CC[N@@H+](C2CCC2)C1 ZINC000452327388 566962338 /nfs/dbraw/zinc/96/23/38/566962338.db2.gz OVNIFALIYNCQID-ZDUSSCGKSA-N 1 0 376.298 3.267 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000612330950 566964687 /nfs/dbraw/zinc/96/46/87/566964687.db2.gz BRBGJRBBYROBNH-UHFFFAOYSA-N 1 0 384.977 3.125 20 30 GGEDRO Cn1c(Sc2cc(Br)c(C#N)cc2F)nnc1[C@H]1CCC[NH2+]C1 ZINC000583641492 566968972 /nfs/dbraw/zinc/96/89/72/566968972.db2.gz RRAGKODQBABBMB-VIFPVBQESA-N 1 0 396.289 3.207 20 30 GGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)c1cc(C)ccc1Br ZINC000519831024 566972666 /nfs/dbraw/zinc/97/26/66/566972666.db2.gz YOHIAMKVJMKDFX-KGLIPLIRSA-N 1 0 389.359 3.226 20 30 GGEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)CC2(CC#N)CC2)c2cccs2)CC1 ZINC000583719047 566976405 /nfs/dbraw/zinc/97/64/05/566976405.db2.gz QWQINLVOSMNKMG-MRXNPFEDSA-N 1 0 381.567 3.134 20 30 GGEDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000564492483 566979799 /nfs/dbraw/zinc/97/97/99/566979799.db2.gz SRKGKABPRSRFOG-CQSZACIVSA-N 1 0 383.945 3.094 20 30 GGEDRO Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@](C)(C#N)C3)nc12 ZINC000612773290 566997004 /nfs/dbraw/zinc/99/70/04/566997004.db2.gz BXPIUPGYDPIYSQ-KRWDZBQOSA-N 1 0 390.285 3.241 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCn3ccnc3C2)cc1OC ZINC000494426892 567000107 /nfs/dbraw/zinc/00/01/07/567000107.db2.gz QLAAOQUSAOKBPF-AWEZNQCLSA-N 1 0 392.297 3.324 20 30 GGEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000584405839 567040151 /nfs/dbraw/zinc/04/01/51/567040151.db2.gz DWBDBGGDSXRPOS-CQSZACIVSA-N 1 0 378.881 3.042 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Br)c2c1OCCC2 ZINC000495099729 567045809 /nfs/dbraw/zinc/04/58/09/567045809.db2.gz RSTYJVAQBFTGFU-UHFFFAOYSA-N 1 0 394.313 3.082 20 30 GGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453340616 567076352 /nfs/dbraw/zinc/07/63/52/567076352.db2.gz HURUKNKHDZLWPK-FZZIBODNSA-N 1 0 379.309 3.025 20 30 GGEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000473461613 567081407 /nfs/dbraw/zinc/08/14/07/567081407.db2.gz MUVAFGGKORBDHZ-KBXCAEBGSA-N 1 0 388.309 3.408 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000521995670 567091669 /nfs/dbraw/zinc/09/16/69/567091669.db2.gz NOUNGSLCBYMPMM-INIZCTEOSA-N 1 0 392.293 3.413 20 30 GGEDRO COCC#CC[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000683102679 567096338 /nfs/dbraw/zinc/09/63/38/567096338.db2.gz BRJMMKKOHBDDKY-UHFFFAOYSA-N 1 0 390.281 3.328 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+](C)C2CCN(OC)CC2)cc1OC ZINC000453605804 567097016 /nfs/dbraw/zinc/09/70/16/567097016.db2.gz PBXPFGZCTLGSQT-UHFFFAOYSA-N 1 0 399.329 3.480 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)C(=O)N(C)CC)cc1OCC ZINC000473987318 567122018 /nfs/dbraw/zinc/12/20/18/567122018.db2.gz MYCSBBVACLYZNV-CYBMUJFWSA-N 1 0 399.329 3.369 20 30 GGEDRO N#CCN1CCC([NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000588925691 567146356 /nfs/dbraw/zinc/14/63/56/567146356.db2.gz ZLFUMXJPHOPCND-UHFFFAOYSA-N 1 0 387.119 3.289 20 30 GGEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000566553392 567166589 /nfs/dbraw/zinc/16/65/89/567166589.db2.gz SEVCBDRWJSXDPD-CQSZACIVSA-N 1 0 377.897 3.010 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)cc1OC ZINC000498362717 567173341 /nfs/dbraw/zinc/17/33/41/567173341.db2.gz HXBICDOUIRDZHM-HIFRSBDPSA-N 1 0 397.313 3.027 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)cc1OC ZINC000498362719 567173598 /nfs/dbraw/zinc/17/35/98/567173598.db2.gz HXBICDOUIRDZHM-ZFWWWQNUSA-N 1 0 397.313 3.027 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000474576357 567180040 /nfs/dbraw/zinc/18/00/40/567180040.db2.gz LWTYNGASYGQOET-UGSOOPFHSA-N 1 0 377.897 3.181 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3c(F)ccc(Br)c3C2)CC1 ZINC000454533414 567181272 /nfs/dbraw/zinc/18/12/72/567181272.db2.gz CYIRLBZXTWWOGM-UHFFFAOYSA-N 1 0 396.304 3.306 20 30 GGEDRO C[C@@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)c1ccc(F)c(Br)c1 ZINC000589690552 567189614 /nfs/dbraw/zinc/18/96/14/567189614.db2.gz BKUZMBVZHSEHKM-LBPRGKRZSA-N 1 0 382.277 3.186 20 30 GGEDRO CC1CC[NH+](C[C@H](O)CNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000566872615 567198430 /nfs/dbraw/zinc/19/84/30/567198430.db2.gz RZCDIBLFLNBAJD-CQSZACIVSA-N 1 0 386.721 3.479 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCC(=O)N2)cc1OCC ZINC000433203069 567230979 /nfs/dbraw/zinc/23/09/79/567230979.db2.gz WFLNQCQTMCKLIB-CQSZACIVSA-N 1 0 397.313 3.171 20 30 GGEDRO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433295185 567240544 /nfs/dbraw/zinc/24/05/44/567240544.db2.gz CJYGKIBWFYVIKH-HNAYVOBHSA-N 1 0 390.325 3.122 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1OCC ZINC000475670723 567267051 /nfs/dbraw/zinc/26/70/51/567267051.db2.gz JXWWGNTXWAHRLU-GOSISDBHSA-N 1 0 397.313 3.110 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCOc2cccc(Cl)c2Cl)cc1 ZINC000567681477 567267175 /nfs/dbraw/zinc/26/71/75/567267175.db2.gz SUDHCFGWRFOVQH-AWEZNQCLSA-N 1 0 381.259 3.273 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1OCC ZINC000475670724 567267221 /nfs/dbraw/zinc/26/72/21/567267221.db2.gz JXWWGNTXWAHRLU-SFHVURJKSA-N 1 0 397.313 3.110 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(Br)c2)cc1 ZINC000567701039 567268972 /nfs/dbraw/zinc/26/89/72/567268972.db2.gz YBOXUAMJIKHZOE-NZSAHSFTSA-N 1 0 387.277 3.206 20 30 GGEDRO N#CC1CCC(C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000591765481 567294860 /nfs/dbraw/zinc/29/48/60/567294860.db2.gz GFKAOGXDQHEDGW-ZUEPYMLJSA-N 1 0 385.277 3.247 20 30 GGEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000591763926 567295362 /nfs/dbraw/zinc/29/53/62/567295362.db2.gz REWRNKPIUVBCSJ-QFBILLFUSA-N 1 0 387.277 3.338 20 30 GGEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000591763805 567295720 /nfs/dbraw/zinc/29/57/20/567295720.db2.gz KEEMZNQXNJOKBY-APWZRJJASA-N 1 0 387.277 3.338 20 30 GGEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)C2CC2)nnc1-c1cccc(Cl)c1 ZINC000685910172 567310375 /nfs/dbraw/zinc/31/03/75/567310375.db2.gz OKUZKJISACBSJJ-INIZCTEOSA-N 1 0 378.929 3.332 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c([nH]2)c(Br)ccc3OC)CC1 ZINC000592068600 567312517 /nfs/dbraw/zinc/31/25/17/567312517.db2.gz ANPFABGMPVPQOB-UHFFFAOYSA-N 1 0 392.297 3.319 20 30 GGEDRO C=CCC[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000568238975 567313990 /nfs/dbraw/zinc/31/39/90/567313990.db2.gz DXTHRCXOQZKOOM-ZDUSSCGKSA-N 1 0 375.332 3.062 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1 ZINC000592156261 567318051 /nfs/dbraw/zinc/31/80/51/567318051.db2.gz WANIJQHGFPVJDV-KRWDZBQOSA-N 1 0 398.304 3.459 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)c(F)c2)cc1 ZINC000568382318 567324039 /nfs/dbraw/zinc/32/40/39/567324039.db2.gz ZMBNUOAQTXIJPI-HNNXBMFYSA-N 1 0 393.256 3.184 20 30 GGEDRO N#Cc1cccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000568570850 567339145 /nfs/dbraw/zinc/33/91/45/567339145.db2.gz PJGOEFYBMRMMPI-UHFFFAOYSA-N 1 0 393.184 3.361 20 30 GGEDRO C=CCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@H](C)COC ZINC000661243677 567360588 /nfs/dbraw/zinc/36/05/88/567360588.db2.gz MMYNYLSKVOUOKV-CYBMUJFWSA-N 1 0 380.286 3.446 20 30 GGEDRO C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC(C)(C)C#N ZINC000456370944 567366991 /nfs/dbraw/zinc/36/69/91/567366991.db2.gz MXCSZFLRKAFGKG-CYBMUJFWSA-N 1 0 393.329 3.468 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c(Br)c1 ZINC000618308104 567369592 /nfs/dbraw/zinc/36/95/92/567369592.db2.gz QJEWKRANLZYKLS-ZWKOTPCHSA-N 1 0 378.314 3.054 20 30 GGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c(Br)c1 ZINC000618308102 567369779 /nfs/dbraw/zinc/36/97/79/567369779.db2.gz QJEWKRANLZYKLS-QZTJIDSGSA-N 1 0 378.314 3.054 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000568972750 567370343 /nfs/dbraw/zinc/37/03/43/567370343.db2.gz SORYIVBYLMPEMS-STQMWFEESA-N 1 0 380.286 3.087 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000568972748 567371233 /nfs/dbraw/zinc/37/12/33/567371233.db2.gz SORYIVBYLMPEMS-OLZOCXBDSA-N 1 0 380.286 3.087 20 30 GGEDRO C=CCOCCCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501211579 567372979 /nfs/dbraw/zinc/37/29/79/567372979.db2.gz XGRPDDUVCLHQPX-UHFFFAOYSA-N 1 0 396.329 3.122 20 30 GGEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000569074131 567376954 /nfs/dbraw/zinc/37/69/54/567376954.db2.gz UZDKBHHNRRLISP-UHFFFAOYSA-N 1 0 394.313 3.032 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000501386724 567385405 /nfs/dbraw/zinc/38/54/05/567385405.db2.gz IQBCDYDBUBTRCH-OAHLLOKOSA-N 1 0 381.314 3.349 20 30 GGEDRO N#CC1CCC(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000569352378 567398951 /nfs/dbraw/zinc/39/89/51/567398951.db2.gz MXFSTNNDLHBLRB-UHFFFAOYSA-N 1 0 385.327 3.142 20 30 GGEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(Br)co3)CC2)c1 ZINC000593350634 567408929 /nfs/dbraw/zinc/40/89/29/567408929.db2.gz YOCVHNMUBUTRJW-UHFFFAOYSA-N 1 0 388.265 3.308 20 30 GGEDRO COc1ccc([C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1Br ZINC000549764820 567408885 /nfs/dbraw/zinc/40/88/85/567408885.db2.gz UMKWDXUXPCFGAX-LLVKDONJSA-N 1 0 386.253 3.223 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000436307134 567419324 /nfs/dbraw/zinc/41/93/24/567419324.db2.gz JYYOOEZUPXIYDE-MMPTUQATSA-N 1 0 393.336 3.273 20 30 GGEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507147 567432172 /nfs/dbraw/zinc/43/21/72/567432172.db2.gz VWCUPMGLZGYOOS-SZMVWBNQSA-N 1 0 393.325 3.249 20 30 GGEDRO COc1cc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)ccc1C#N ZINC000550319942 567439676 /nfs/dbraw/zinc/43/96/76/567439676.db2.gz QRPSTMDEXIOXRY-UHFFFAOYSA-N 1 0 378.881 3.174 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000594103933 567459735 /nfs/dbraw/zinc/45/97/35/567459735.db2.gz OUZZBTNFDRPHTQ-HZPDHXFCSA-N 1 0 377.286 3.459 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)co1 ZINC000457491749 567470111 /nfs/dbraw/zinc/47/01/11/567470111.db2.gz BZCHWYPELBSHLV-UHFFFAOYSA-N 1 0 376.254 3.118 20 30 GGEDRO N#Cc1cc(Cl)c(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000619777598 567479900 /nfs/dbraw/zinc/47/99/00/567479900.db2.gz NITWLOKZLPJBSO-CYBMUJFWSA-N 1 0 382.291 3.049 20 30 GGEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2Cc2ccc(C#N)cc2Br)O1 ZINC000619785111 567480342 /nfs/dbraw/zinc/48/03/42/567480342.db2.gz LWMKGSFMARMSKX-AHBIMHKDSA-N 1 0 393.281 3.004 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503381360 567481967 /nfs/dbraw/zinc/48/19/67/567481967.db2.gz CSQRDTTXXYCNAD-UHFFFAOYSA-N 1 0 378.314 3.391 20 30 GGEDRO C[NH+]1CCC(N2CC[C@H](Nc3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000594555631 567485519 /nfs/dbraw/zinc/48/55/19/567485519.db2.gz AZUNAHGCBMGIOG-ZDUSSCGKSA-N 1 0 381.293 3.040 20 30 GGEDRO Cc1c(Br)cccc1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000594570589 567487009 /nfs/dbraw/zinc/48/70/09/567487009.db2.gz QISHYYGCGPWMBY-MRXNPFEDSA-N 1 0 375.266 3.159 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000551421306 567505093 /nfs/dbraw/zinc/50/50/93/567505093.db2.gz AMLHWQBCNNZCQE-ULFGMLNVSA-N 1 0 393.329 3.328 20 30 GGEDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594752052 567506180 /nfs/dbraw/zinc/50/61/80/567506180.db2.gz IKYFBDQNZJRGHA-HNNXBMFYSA-N 1 0 377.535 3.092 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000594757643 567507916 /nfs/dbraw/zinc/50/79/16/567507916.db2.gz HMTNNIAJJFAHDU-LRDDRELGSA-N 1 0 377.535 3.042 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000594764909 567509183 /nfs/dbraw/zinc/50/91/83/567509183.db2.gz DWNJPUURCARAAB-UHFFFAOYSA-N 1 0 377.535 3.044 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000594782717 567511686 /nfs/dbraw/zinc/51/16/86/567511686.db2.gz LQOFMPJDYLAYCS-UHFFFAOYSA-N 1 0 377.535 3.234 20 30 GGEDRO O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644046627 567527111 /nfs/dbraw/zinc/52/71/11/567527111.db2.gz SVRCYWOCRZHLFU-MRTMQBJTSA-N 1 0 382.295 3.257 20 30 GGEDRO N#CCN1CCC([NH2+]Cc2cc(Cl)ccc2I)CC1 ZINC000594927066 567527337 /nfs/dbraw/zinc/52/73/37/567527337.db2.gz TYBBXDUSQTYONL-UHFFFAOYSA-N 1 0 389.668 3.022 20 30 GGEDRO N#Cc1ccc(O[C@H]2CCN(Cc3ncc(Cl)cc3Br)C2)nc1 ZINC000529571791 567532029 /nfs/dbraw/zinc/53/20/29/567532029.db2.gz ADUGSASEBXHTPQ-ZDUSSCGKSA-N 1 0 393.672 3.417 20 30 GGEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cncc(Br)c1 ZINC000595036565 567537063 /nfs/dbraw/zinc/53/70/63/567537063.db2.gz JNVJDAHHAAVSCZ-ZDUSSCGKSA-N 1 0 386.297 3.430 20 30 GGEDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccc(C#N)cc1 ZINC000595056584 567539304 /nfs/dbraw/zinc/53/93/04/567539304.db2.gz MMTALAHPEMZZGI-INIZCTEOSA-N 1 0 387.281 3.186 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000595109325 567542292 /nfs/dbraw/zinc/54/22/92/567542292.db2.gz AONUSLXVLWYUBE-XUJVJEKNSA-N 1 0 377.535 3.075 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000595114334 567542979 /nfs/dbraw/zinc/54/29/79/567542979.db2.gz WVLQBAKVYOKNCM-WBMJQRKESA-N 1 0 377.535 3.219 20 30 GGEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(Br)cc1Br ZINC000552097432 567559517 /nfs/dbraw/zinc/55/95/17/567559517.db2.gz BPJGBJORXVXSHW-SECBINFHSA-N 1 0 399.090 3.026 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595471440 567566098 /nfs/dbraw/zinc/56/60/98/567566098.db2.gz AUWMIFZMUZIOJO-GOSISDBHSA-N 1 0 378.314 3.007 20 30 GGEDRO N#Cc1ccc(Br)c(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000595473077 567566386 /nfs/dbraw/zinc/56/63/86/567566386.db2.gz UEWUBZIRLKFUMO-QGZVFWFLSA-N 1 0 378.314 3.007 20 30 GGEDRO COC(=O)C[C@@](C)(NCc1cc(C#N)ccc1Br)c1ccncc1 ZINC000595485987 567567971 /nfs/dbraw/zinc/56/79/71/567567971.db2.gz FYGZRWHCXFIQAQ-GOSISDBHSA-N 1 0 388.265 3.284 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000479961124 567572032 /nfs/dbraw/zinc/57/20/32/567572032.db2.gz IILOOYHMORUDIG-GASCZTMLSA-N 1 0 381.314 3.064 20 30 GGEDRO N#CC[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614284 567573642 /nfs/dbraw/zinc/57/36/42/567573642.db2.gz JQFDWSRUBVVLHP-OCCSQVGLSA-N 1 0 387.705 3.468 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439323597 567581963 /nfs/dbraw/zinc/58/19/63/567581963.db2.gz QZYYVOWUADRHCV-CYBMUJFWSA-N 1 0 394.313 3.029 20 30 GGEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439316042 567582136 /nfs/dbraw/zinc/58/21/36/567582136.db2.gz KGFYBUGAMNVCDV-AWEZNQCLSA-N 1 0 378.314 3.389 20 30 GGEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000530231658 567585580 /nfs/dbraw/zinc/58/55/80/567585580.db2.gz SJPKPFGGBUIUJW-KDOFPFPSSA-N 1 0 387.277 3.338 20 30 GGEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000530232897 567586334 /nfs/dbraw/zinc/58/63/34/567586334.db2.gz CHRJCFUBGOHFHW-FGTMMUONSA-N 1 0 387.277 3.206 20 30 GGEDRO N#Cc1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c(Cl)c1 ZINC000439456522 567589277 /nfs/dbraw/zinc/58/92/77/567589277.db2.gz YLNHATHDOGWNAZ-UHFFFAOYSA-N 1 0 375.822 3.298 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)c(Cl)c1 ZINC000530335244 567593579 /nfs/dbraw/zinc/59/35/79/567593579.db2.gz AZZZQYABCJOMKU-UHFFFAOYSA-N 1 0 382.693 3.174 20 30 GGEDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)cc1C#N ZINC000480287202 567594981 /nfs/dbraw/zinc/59/49/81/567594981.db2.gz FUBIMFIWKQZZRJ-MRXNPFEDSA-N 1 0 377.275 3.489 20 30 GGEDRO C[NH+]1CCN(c2ncccc2CNc2cccc(Br)c2C#N)CC1 ZINC000571967253 567601918 /nfs/dbraw/zinc/60/19/18/567601918.db2.gz XJRDRFYQISLPRN-UHFFFAOYSA-N 1 0 386.297 3.080 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)c(Br)cc2OC)CC1 ZINC000572043316 567608507 /nfs/dbraw/zinc/60/85/07/567608507.db2.gz VIQBYDXKUJAORP-UHFFFAOYSA-N 1 0 387.705 3.491 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000572030502 567608667 /nfs/dbraw/zinc/60/86/67/567608667.db2.gz VJYNDXDZOGCPNO-QGZVFWFLSA-N 1 0 375.266 3.045 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000552854480 567613158 /nfs/dbraw/zinc/61/31/58/567613158.db2.gz QMTJNOIRIVCIOP-ZDUSSCGKSA-N 1 0 381.295 3.106 20 30 GGEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1nc(C#N)c(Cl)s1 ZINC000596153517 567613114 /nfs/dbraw/zinc/61/31/14/567613114.db2.gz UCZYMEUEIUOMMZ-UHFFFAOYSA-N 1 0 381.977 3.301 20 30 GGEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000552836909 567613554 /nfs/dbraw/zinc/61/35/54/567613554.db2.gz ZQFBACUHVJVEEZ-KSSFIOAISA-N 1 0 389.293 3.281 20 30 GGEDRO Cc1cc(Br)cn2cc(CNc3nccc(C#N)c3Cl)nc12 ZINC000553153572 567630839 /nfs/dbraw/zinc/63/08/39/567630839.db2.gz XYIYSPYKNABJMI-UHFFFAOYSA-N 1 0 376.645 3.359 20 30 GGEDRO COc1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)ccc1C#N ZINC000440617933 567635043 /nfs/dbraw/zinc/63/50/43/567635043.db2.gz LWWXGCDPGMKGFV-INIZCTEOSA-N 1 0 389.293 3.270 20 30 GGEDRO COc1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)ccc1C#N ZINC000440617935 567635155 /nfs/dbraw/zinc/63/51/55/567635155.db2.gz LWWXGCDPGMKGFV-MRXNPFEDSA-N 1 0 389.293 3.270 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC(c3nc(C)no3)C2)cc1OC ZINC000459612315 567643118 /nfs/dbraw/zinc/64/31/18/567643118.db2.gz UQIHGTWOEOQFMZ-UHFFFAOYSA-N 1 0 394.269 3.313 20 30 GGEDRO COc1cc(C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)ccc1C#N ZINC000440798878 567644449 /nfs/dbraw/zinc/64/44/49/567644449.db2.gz AACFRGRQCGUWFR-AWEZNQCLSA-N 1 0 381.259 3.403 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2ccccc2Br)cc1 ZINC000572511759 567644873 /nfs/dbraw/zinc/64/48/73/567644873.db2.gz PPBXPEWYGSIYKR-QGZVFWFLSA-N 1 0 389.293 3.087 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000459658470 567647153 /nfs/dbraw/zinc/64/71/53/567647153.db2.gz KLACUJVFFQBLAH-ZDUSSCGKSA-N 1 0 382.302 3.429 20 30 GGEDRO N#Cc1csc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459702925 567651606 /nfs/dbraw/zinc/65/16/06/567651606.db2.gz OMLSQPOOMXFKCH-ZDUSSCGKSA-N 1 0 383.286 3.462 20 30 GGEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000507221765 567668358 /nfs/dbraw/zinc/66/83/58/567668358.db2.gz OAODANGFUVEXHX-GFCCVEGCSA-N 1 0 398.315 3.494 20 30 GGEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000507243331 567669524 /nfs/dbraw/zinc/66/95/24/567669524.db2.gz LPIMLDISHHCHDJ-GFCCVEGCSA-N 1 0 398.315 3.494 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cncc(Br)c1 ZINC000572900544 567673613 /nfs/dbraw/zinc/67/36/13/567673613.db2.gz INPCQYHKCMABKY-UGSOOPFHSA-N 1 0 399.292 3.167 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cncn2C)cc1OCC ZINC000623086931 567684236 /nfs/dbraw/zinc/68/42/36/567684236.db2.gz SHUBHPTXGPLDJB-UHFFFAOYSA-N 1 0 394.313 3.478 20 30 GGEDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000597230643 567690069 /nfs/dbraw/zinc/69/00/69/567690069.db2.gz HRSIXAXIJOHYJJ-KRWDZBQOSA-N 1 0 384.281 3.474 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@H](C(=O)OC)C2)cc1OC ZINC000597243424 567690947 /nfs/dbraw/zinc/69/09/47/567690947.db2.gz IZHLXCJKLJJPLK-JOCQHMNTSA-N 1 0 384.270 3.064 20 30 GGEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000442771619 567708036 /nfs/dbraw/zinc/70/80/36/567708036.db2.gz UHOVTOGJZWHKJQ-OCCSQVGLSA-N 1 0 385.327 3.283 20 30 GGEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000442771616 567708580 /nfs/dbraw/zinc/70/85/80/567708580.db2.gz UHOVTOGJZWHKJQ-JSGCOSHPSA-N 1 0 385.327 3.283 20 30 GGEDRO COc1cc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)ccc1C#N ZINC000442890247 567716333 /nfs/dbraw/zinc/71/63/33/567716333.db2.gz NZWAELXNFQSDEP-QGZVFWFLSA-N 1 0 375.266 3.495 20 30 GGEDRO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@H+](C)Cc1ccccc1 ZINC000443075603 567728719 /nfs/dbraw/zinc/72/87/19/567728719.db2.gz BKCLNYVZDGISDA-CQSZACIVSA-N 1 0 377.897 3.010 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443094210 567731020 /nfs/dbraw/zinc/73/10/20/567731020.db2.gz CIVXZSSCMDKSIL-HUUCEWRRSA-N 1 0 383.945 3.248 20 30 GGEDRO C[N@H+](CCCNS(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000443098217 567731158 /nfs/dbraw/zinc/73/11/58/567731158.db2.gz XAUWCDJVKNSDPY-UHFFFAOYSA-N 1 0 377.897 3.012 20 30 GGEDRO CC(C)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccccc1Br ZINC000573724209 567732793 /nfs/dbraw/zinc/73/27/93/567732793.db2.gz WKWBPMSEJPLEQT-UHFFFAOYSA-N 1 0 384.281 3.431 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598221940 567750035 /nfs/dbraw/zinc/75/00/35/567750035.db2.gz ZCLRLPWNXIXMJA-OAHLLOKOSA-N 1 0 376.298 3.458 20 30 GGEDRO C=CC1CC[NH+](CC(=O)Nc2ccc(I)cc2C)CC1 ZINC000533286426 567761932 /nfs/dbraw/zinc/76/19/32/567761932.db2.gz VCPNAJOPNIJUSD-UHFFFAOYSA-N 1 0 384.261 3.436 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667674186 567763944 /nfs/dbraw/zinc/76/39/44/567763944.db2.gz CWYITIDUPBAKLI-IUODEOHRSA-N 1 0 380.286 3.230 20 30 GGEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508855846 567770167 /nfs/dbraw/zinc/77/01/67/567770167.db2.gz IRZKLUFPACZKJJ-UHFFFAOYSA-N 1 0 393.333 3.189 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cc2c(cc1Br)OCCO2 ZINC000598603495 567778375 /nfs/dbraw/zinc/77/83/75/567778375.db2.gz USFCPTOAGOFPGZ-RYUDHWBXSA-N 1 0 383.286 3.172 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000598591842 567778754 /nfs/dbraw/zinc/77/87/54/567778754.db2.gz CHHBUZAUWYRUGP-OAHLLOKOSA-N 1 0 398.320 3.007 20 30 GGEDRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598597565 567779294 /nfs/dbraw/zinc/77/92/94/567779294.db2.gz YRPQOYZFWAMLLE-YJBOKZPZSA-N 1 0 394.357 3.428 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(F)ccc2Br)cc1 ZINC000555338490 567779867 /nfs/dbraw/zinc/77/98/67/567779867.db2.gz FPWJHVXWUSRJGX-INIZCTEOSA-N 1 0 393.256 3.184 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(F)c(Br)c2)cc1 ZINC000555338966 567780440 /nfs/dbraw/zinc/78/04/40/567780440.db2.gz RMPQSDFXDKPWTB-HNNXBMFYSA-N 1 0 393.256 3.032 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000598620761 567780576 /nfs/dbraw/zinc/78/05/76/567780576.db2.gz RYMYFMJQOZLDBT-INIZCTEOSA-N 1 0 398.320 3.007 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000598723473 567785571 /nfs/dbraw/zinc/78/55/71/567785571.db2.gz IGAGCXLKPNKNRM-ZFWWWQNUSA-N 1 0 384.307 3.379 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000598724495 567785580 /nfs/dbraw/zinc/78/55/80/567785580.db2.gz OUJKNDNDRSXTHL-LLVKDONJSA-N 1 0 392.668 3.335 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000598719455 567785609 /nfs/dbraw/zinc/78/56/09/567785609.db2.gz IKSUECHTTSTPGW-GFCCVEGCSA-N 1 0 377.229 3.441 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000598723472 567785616 /nfs/dbraw/zinc/78/56/16/567785616.db2.gz IGAGCXLKPNKNRM-UKRRQHHQSA-N 1 0 384.307 3.379 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000598720399 567786075 /nfs/dbraw/zinc/78/60/75/567786075.db2.gz MWGBIQAVFBNIOD-RHSMWYFYSA-N 1 0 380.330 3.166 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000598719458 567786101 /nfs/dbraw/zinc/78/61/01/567786101.db2.gz IKSUECHTTSTPGW-LBPRGKRZSA-N 1 0 377.229 3.441 20 30 GGEDRO C=CCCn1cc(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)nn1 ZINC000668159465 567799554 /nfs/dbraw/zinc/79/95/54/567799554.db2.gz XCISFFUBEPSSLG-UHFFFAOYSA-N 1 0 392.345 3.181 20 30 GGEDRO Cc1c(O)ccc2c(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)cc(=O)oc12 ZINC000048375126 570249199 /nfs/dbraw/zinc/24/91/99/570249199.db2.gz KGWYFECYXJPEIW-UHFFFAOYSA-N 1 0 389.455 3.391 20 30 GGEDRO C#CC[C@]1(C(=O)NCc2cccc(C[NH+](C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000225471828 570456085 /nfs/dbraw/zinc/45/60/85/570456085.db2.gz LZCMOIVXBNDODP-HSZRJFAPSA-N 1 0 399.535 3.157 20 30 GGEDRO N#Cc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)cc1Cl ZINC000022933163 570629923 /nfs/dbraw/zinc/62/99/23/570629923.db2.gz SDCVIJFDBGRYRU-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000735408911 598866166 /nfs/dbraw/zinc/86/61/66/598866166.db2.gz VBBATAUYGMAUCN-CYBMUJFWSA-N 1 0 388.541 3.422 20 30 GGEDRO C=C1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CC[C@@H](C)C3)CC1 ZINC000735403376 598504317 /nfs/dbraw/zinc/50/43/17/598504317.db2.gz VEDDMZIFEJQULU-CYBMUJFWSA-N 1 0 386.525 3.034 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000735425670 598784718 /nfs/dbraw/zinc/78/47/18/598784718.db2.gz DKRDLJXHKPRABO-GJZGRUSLSA-N 1 0 396.520 3.182 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738004999 600596666 /nfs/dbraw/zinc/59/66/66/600596666.db2.gz YXZDAYHIDBSPKX-QFIPXVFZSA-N 1 0 393.487 3.194 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000828455691 601299037 /nfs/dbraw/zinc/29/90/37/601299037.db2.gz FFNLIDRWZWKEGJ-HYFFOGBASA-N 1 0 393.487 3.083 20 30 GGEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819742857 606848348 /nfs/dbraw/zinc/84/83/48/606848348.db2.gz AVXGPDRYDARFHJ-HNNXBMFYSA-N 1 0 375.885 3.303 20 30 GGEDRO C=CCC[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823894032 608537255 /nfs/dbraw/zinc/53/72/55/608537255.db2.gz FPMCLRZWJHQJOD-IBGZPJMESA-N 1 0 376.464 3.492 20 30 GGEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OCC)c(OC)c1 ZINC000823914962 608632194 /nfs/dbraw/zinc/63/21/94/608632194.db2.gz PXJUGLYFRWICIQ-UHFFFAOYSA-N 1 0 379.464 3.462 20 30 GGEDRO CC(=NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000823958545 609474558 /nfs/dbraw/zinc/47/45/58/609474558.db2.gz QAOQQTIJMCGIME-UHFFFAOYSA-N 1 0 399.886 3.297 20 30 GGEDRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000053419982 1406390046 /nfs/dbraw/zinc/39/00/46/1406390046.db2.gz PRCHEDUZUPSHSD-NRFANRHFSA-N 1 0 379.504 3.225 20 30 GGEDRO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000053419983 1406390417 /nfs/dbraw/zinc/39/04/17/1406390417.db2.gz PRCHEDUZUPSHSD-OAQYLSRUSA-N 1 0 379.504 3.225 20 30 GGEDRO COC(=O)c1sc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1Cl ZINC000053554445 1406441681 /nfs/dbraw/zinc/44/16/81/1406441681.db2.gz MQMSKLKOQFGIAG-UHFFFAOYSA-N 1 0 390.896 3.167 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000053563932 1406444511 /nfs/dbraw/zinc/44/45/11/1406444511.db2.gz LGGSMJPFLYQIFA-UHFFFAOYSA-N 1 0 389.499 3.410 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223813 1406657054 /nfs/dbraw/zinc/65/70/54/1406657054.db2.gz XILCRSYGSBHVFX-GHTZIAJQSA-N 1 0 393.535 3.298 20 30 GGEDRO CC[N@H+](CC(=O)N1CCN(Cc2cccs2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340806 1406696003 /nfs/dbraw/zinc/69/60/03/1406696003.db2.gz DYWHMHLAKBXTPX-GOSISDBHSA-N 1 0 396.560 3.347 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000054454772 1406741604 /nfs/dbraw/zinc/74/16/04/1406741604.db2.gz CDQYIRBGDYCIIJ-UHFFFAOYSA-N 1 0 388.515 3.045 20 30 GGEDRO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000054454773 1406741838 /nfs/dbraw/zinc/74/18/38/1406741838.db2.gz FKLRXYLPTLPOHB-KNKQGSTJSA-N 1 0 382.552 3.007 20 30 GGEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[NH+](CC(C)C)CC2)c1C#N ZINC000054610299 1406783892 /nfs/dbraw/zinc/78/38/92/1406783892.db2.gz KKAHRYDFAQLMMD-UHFFFAOYSA-N 1 0 385.556 3.304 20 30 GGEDRO C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054642647 1406792851 /nfs/dbraw/zinc/79/28/51/1406792851.db2.gz RFIWVMOTRKEQBN-IBGZPJMESA-N 1 0 388.515 3.044 20 30 GGEDRO Cc1noc([C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000054677218 1406803336 /nfs/dbraw/zinc/80/33/36/1406803336.db2.gz QNAPJNUEHONEJY-AWEZNQCLSA-N 1 0 399.520 3.398 20 30 GGEDRO COc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000054782729 1406823764 /nfs/dbraw/zinc/82/37/64/1406823764.db2.gz YZVOAQOAIJRWLL-UHFFFAOYSA-N 1 0 380.492 3.149 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000054945977 1406855621 /nfs/dbraw/zinc/85/56/21/1406855621.db2.gz YBJCQPYKBKNOHG-ZIAGYGMSSA-N 1 0 390.915 3.023 20 30 GGEDRO N#CCCN(C(=O)CN1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000054992851 1406866871 /nfs/dbraw/zinc/86/68/71/1406866871.db2.gz NUMRLNKADJVYDK-UHFFFAOYSA-N 1 0 376.504 3.141 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NC(C)C)[n+]2ccc(N(C)C)cc2)cc1 ZINC000055009760 1406869845 /nfs/dbraw/zinc/86/98/45/1406869845.db2.gz ADHQIGIRAIPRNN-UHFFFAOYSA-O 1 0 386.541 3.376 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)NC(C)(C)C)c1 ZINC000055015308 1406871325 /nfs/dbraw/zinc/87/13/25/1406871325.db2.gz LZBQLWFFODCYRH-UHFFFAOYSA-O 1 0 385.509 3.381 20 30 GGEDRO N#CCCN(C(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000055106186 1406886445 /nfs/dbraw/zinc/88/64/45/1406886445.db2.gz DQKBTFZVRWVYDF-UHFFFAOYSA-N 1 0 394.494 3.280 20 30 GGEDRO C[C@H](C(=O)NCC1CCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172153 1406897518 /nfs/dbraw/zinc/89/75/18/1406897518.db2.gz WLPPSQHQIHPULK-LJQANCHMSA-N 1 0 382.552 3.151 20 30 GGEDRO C[C@@H](C(=O)NCC1CCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172150 1406897592 /nfs/dbraw/zinc/89/75/92/1406897592.db2.gz WLPPSQHQIHPULK-IBGZPJMESA-N 1 0 382.552 3.151 20 30 GGEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000055372793 1406941961 /nfs/dbraw/zinc/94/19/61/1406941961.db2.gz LCAKSHNSFNCQSE-UHFFFAOYSA-N 1 0 389.499 3.296 20 30 GGEDRO N#Cc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492099 1398689936 /nfs/dbraw/zinc/68/99/36/1398689936.db2.gz ZGOAJHBIUCEETA-UHFFFAOYSA-N 1 0 383.879 3.371 20 30 GGEDRO CN(C(=O)COC(=O)c1ccc(C[NH+]2CCCC2)cc1)C1(C#N)CCCCC1 ZINC000008351804 1398825430 /nfs/dbraw/zinc/82/54/30/1398825430.db2.gz VQFKFOUPHRAVLZ-UHFFFAOYSA-N 1 0 383.492 3.124 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000015317853 1399153701 /nfs/dbraw/zinc/15/37/01/1399153701.db2.gz BNKNBFXWIPIUGY-OAHLLOKOSA-N 1 0 398.894 3.369 20 30 GGEDRO COc1cc(/C=C/C(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1OCC#N ZINC000015536830 1399170050 /nfs/dbraw/zinc/17/00/50/1399170050.db2.gz DXJKHPLFKYIQIP-DYLHUKMJSA-N 1 0 385.489 3.091 20 30 GGEDRO CCN(CC)C(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016396978 1399237528 /nfs/dbraw/zinc/23/75/28/1399237528.db2.gz CMCRWCNMYZQQBS-UHFFFAOYSA-N 1 0 390.553 3.017 20 30 GGEDRO N#CC1(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCCCC1 ZINC000016402223 1399237969 /nfs/dbraw/zinc/23/79/69/1399237969.db2.gz DUKWVBKGQXEFGW-UHFFFAOYSA-N 1 0 383.492 3.172 20 30 GGEDRO CCc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000021404676 1399378167 /nfs/dbraw/zinc/37/81/67/1399378167.db2.gz YIMLGUFMBJJNMO-UHFFFAOYSA-N 1 0 376.504 3.267 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000021405276 1399378581 /nfs/dbraw/zinc/37/85/81/1399378581.db2.gz PYUDMCJTNTZDHK-UHFFFAOYSA-N 1 0 391.450 3.455 20 30 GGEDRO C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406194 1399378775 /nfs/dbraw/zinc/37/87/75/1399378775.db2.gz FRLKNLZWGRHABX-MRXNPFEDSA-N 1 0 398.457 3.371 20 30 GGEDRO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406225 1399378806 /nfs/dbraw/zinc/37/88/06/1399378806.db2.gz FABFCZSZFDKHEF-INIZCTEOSA-N 1 0 398.457 3.371 20 30 GGEDRO C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406177 1399378850 /nfs/dbraw/zinc/37/88/50/1399378850.db2.gz GUPGQJXLDDWTDH-MRXNPFEDSA-N 1 0 397.910 3.142 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000022197625 1399444453 /nfs/dbraw/zinc/44/44/53/1399444453.db2.gz WVMXEOILBJQWQQ-UHFFFAOYSA-N 1 0 380.517 3.259 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(CC)cc1 ZINC000022687312 1399491510 /nfs/dbraw/zinc/49/15/10/1399491510.db2.gz HXNCFUXOCYEUNE-UHFFFAOYSA-O 1 0 384.525 3.398 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC2CC2)[n+]2ccc3c(c2)CCCC3)c(C)n1C ZINC000022688530 1399491678 /nfs/dbraw/zinc/49/16/78/1399491678.db2.gz SFMPILZCVJGZJY-UHFFFAOYSA-O 1 0 382.553 3.499 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)sc1C)C(=S)NCCOC ZINC000022794436 1399504188 /nfs/dbraw/zinc/50/41/88/1399504188.db2.gz UWIIABOHNDVUPS-UHFFFAOYSA-O 1 0 377.555 3.390 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022794931 1399504385 /nfs/dbraw/zinc/50/43/85/1399504385.db2.gz MRBHUQHAKTUJKF-UHFFFAOYSA-O 1 0 399.536 3.036 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(N(C)C)cc1 ZINC000022796926 1399505034 /nfs/dbraw/zinc/50/50/34/1399505034.db2.gz ZMCJNKFFSODZNQ-UHFFFAOYSA-O 1 0 390.479 3.423 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022805230 1399506620 /nfs/dbraw/zinc/50/66/20/1399506620.db2.gz SIHMMCJHPLMUAZ-UHFFFAOYSA-O 1 0 386.541 3.377 20 30 GGEDRO CCN(C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000022850747 1399511088 /nfs/dbraw/zinc/51/10/88/1399511088.db2.gz HCVNJCNBWAXWQV-UHFFFAOYSA-N 1 0 376.504 3.119 20 30 GGEDRO COc1cc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)ccc1OC(F)F ZINC000023408731 1399557349 /nfs/dbraw/zinc/55/73/49/1399557349.db2.gz NAAVRHNPGAXHIK-INIZCTEOSA-N 1 0 392.402 3.040 20 30 GGEDRO CCOc1ccc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023450746 1399562111 /nfs/dbraw/zinc/56/21/11/1399562111.db2.gz UVAGULPHWCRGLG-UHFFFAOYSA-N 1 0 377.488 3.234 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000023451076 1399562185 /nfs/dbraw/zinc/56/21/85/1399562185.db2.gz WQQHMTIMZMYECD-UHFFFAOYSA-N 1 0 387.487 3.102 20 30 GGEDRO COCCNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000023604858 1399573527 /nfs/dbraw/zinc/57/35/27/1399573527.db2.gz KMNYXWHXSYAWDT-UHFFFAOYSA-O 1 0 388.557 3.391 20 30 GGEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000023674804 1399579113 /nfs/dbraw/zinc/57/91/13/1399579113.db2.gz YSFKRPFXHPQBQC-XMSQKQJNSA-N 1 0 382.460 3.056 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000023753350 1399583456 /nfs/dbraw/zinc/58/34/56/1399583456.db2.gz ZVUVZIIOTUSEML-UHFFFAOYSA-N 1 0 399.441 3.437 20 30 GGEDRO CN(C)c1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023753507 1399583553 /nfs/dbraw/zinc/58/35/53/1399583553.db2.gz HTRWCEQNNYBLAA-UHFFFAOYSA-N 1 0 390.531 3.291 20 30 GGEDRO CNC(=S)C(C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1cccc(CO)c1 ZINC000024566615 1399643436 /nfs/dbraw/zinc/64/34/36/1399643436.db2.gz YLMGNCRJFLXWEB-UHFFFAOYSA-O 1 0 393.488 3.417 20 30 GGEDRO Cc1nc(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000024834459 1399677643 /nfs/dbraw/zinc/67/76/43/1399677643.db2.gz DJBQZEYMOVENEX-IBGZPJMESA-N 1 0 394.544 3.361 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3C)CC2)c(OC)c1 ZINC000025227125 1399775763 /nfs/dbraw/zinc/77/57/63/1399775763.db2.gz FRIYQEUOIINLCO-OAQYLSRUSA-N 1 0 396.531 3.294 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000025234411 1399777422 /nfs/dbraw/zinc/77/74/22/1399777422.db2.gz PGLJNGNQTYHVCR-XMSQKQJNSA-N 1 0 392.503 3.429 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000026263948 1399874797 /nfs/dbraw/zinc/87/47/97/1399874797.db2.gz HLZWRNQSPJITPT-UHFFFAOYSA-N 1 0 376.460 3.238 20 30 GGEDRO COCC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000026448287 1399890817 /nfs/dbraw/zinc/89/08/17/1399890817.db2.gz YTTWRCCAWUDQMQ-UHFFFAOYSA-N 1 0 382.426 3.064 20 30 GGEDRO Cc1cc2nc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c3ccccc3n2n1 ZINC000026761704 1399930181 /nfs/dbraw/zinc/93/01/81/1399930181.db2.gz BGUDTXFASMIHIK-UHFFFAOYSA-N 1 0 382.471 3.385 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc(CC)cc1 ZINC000027059247 1399976282 /nfs/dbraw/zinc/97/62/82/1399976282.db2.gz PWNPXZVUOPIFBW-UHFFFAOYSA-O 1 0 385.509 3.268 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1cccc(C)c1 ZINC000027311293 1400018260 /nfs/dbraw/zinc/01/82/60/1400018260.db2.gz NMNSYEBNJPISDP-UHFFFAOYSA-O 1 0 385.509 3.404 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc(CO)c1 ZINC000027311064 1400018354 /nfs/dbraw/zinc/01/83/54/1400018354.db2.gz JNYCINIUVYBWBO-UHFFFAOYSA-O 1 0 395.548 3.450 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cc3ccccc3o2)C(=S)NCCOC)cc1 ZINC000027308600 1400018446 /nfs/dbraw/zinc/01/84/46/1400018446.db2.gz RRWNOTABPKOWMY-UHFFFAOYSA-O 1 0 383.493 3.458 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc(CC)cc1 ZINC000027318081 1400018879 /nfs/dbraw/zinc/01/88/79/1400018879.db2.gz FUWWTUUEOFMJAL-UHFFFAOYSA-O 1 0 387.525 3.492 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000027326166 1400019416 /nfs/dbraw/zinc/01/94/16/1400019416.db2.gz XYALWBVCNKZBGD-UHFFFAOYSA-O 1 0 386.541 3.377 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)COc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000055752090 1407074204 /nfs/dbraw/zinc/07/42/04/1407074204.db2.gz YVYKLFVSBPRGAG-OAQYLSRUSA-N 1 0 393.487 3.289 20 30 GGEDRO CN(C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000027571455 1400059618 /nfs/dbraw/zinc/05/96/18/1400059618.db2.gz CLNZVHNRCLFRSQ-SFHVURJKSA-N 1 0 382.508 3.022 20 30 GGEDRO N#Cc1c(NC(=O)CC[NH+]2CCC3(CC2)OCCO3)sc2c1CCCCC2 ZINC000028077425 1400127287 /nfs/dbraw/zinc/12/72/87/1400127287.db2.gz JGYWQGCRLUFKMU-UHFFFAOYSA-N 1 0 389.521 3.056 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000028264402 1400144502 /nfs/dbraw/zinc/14/45/02/1400144502.db2.gz OWJNQIKRDDFDPX-OAQYLSRUSA-N 1 0 399.922 3.159 20 30 GGEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)C2=O)cc1 ZINC000028749677 1400191380 /nfs/dbraw/zinc/19/13/80/1400191380.db2.gz FKOZJFAMTHFYQT-GHTZIAJQSA-N 1 0 388.471 3.014 20 30 GGEDRO COc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000028842912 1400202676 /nfs/dbraw/zinc/20/26/76/1400202676.db2.gz SVKLWWUZUVGCTH-UHFFFAOYSA-N 1 0 398.894 3.371 20 30 GGEDRO N#Cc1ccc(CN2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000028879299 1400206551 /nfs/dbraw/zinc/20/65/51/1400206551.db2.gz WFTLKHPNZDJVKB-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000028918232 1400210846 /nfs/dbraw/zinc/21/08/46/1400210846.db2.gz YESOIINQNHGYMW-INIZCTEOSA-N 1 0 380.366 3.329 20 30 GGEDRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000028918230 1400210910 /nfs/dbraw/zinc/21/09/10/1400210910.db2.gz YESOIINQNHGYMW-MRXNPFEDSA-N 1 0 380.366 3.329 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028919147 1400211726 /nfs/dbraw/zinc/21/17/26/1400211726.db2.gz HOWCZFLYJIMATL-KKSFZXQISA-N 1 0 393.487 3.192 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000028960403 1400216835 /nfs/dbraw/zinc/21/68/35/1400216835.db2.gz DBAJGIMZMPZHLL-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO C=CCOc1ccccc1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000029163685 1400252247 /nfs/dbraw/zinc/25/22/47/1400252247.db2.gz JNCLYJIHFOGULX-UHFFFAOYSA-N 1 0 393.531 3.189 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000029692937 1400338018 /nfs/dbraw/zinc/33/80/18/1400338018.db2.gz YTHJPDLWLOJXKR-KURKYZTESA-N 1 0 398.551 3.334 20 30 GGEDRO N#CCOc1ccc(/C=C/C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000029781362 1400351627 /nfs/dbraw/zinc/35/16/27/1400351627.db2.gz ZVNBRUUDGXPFMQ-FMIVXFBMSA-N 1 0 375.472 3.337 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000029909863 1400376054 /nfs/dbraw/zinc/37/60/54/1400376054.db2.gz AHUBVAUAXSHMQN-KRWDZBQOSA-N 1 0 387.524 3.159 20 30 GGEDRO CC[N@H+](C[C@@H](O)COc1ccc(C(=O)OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741797 1400407048 /nfs/dbraw/zinc/40/70/48/1400407048.db2.gz IGTRVSJFIQTCST-OXJNMPFZSA-N 1 0 382.460 3.168 20 30 GGEDRO CC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741842 1400407346 /nfs/dbraw/zinc/40/73/46/1400407346.db2.gz QJQFWJLRFIUJKQ-AWEZNQCLSA-N 1 0 394.431 3.018 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000055870013 1407109802 /nfs/dbraw/zinc/10/98/02/1407109802.db2.gz KZPWYKRLHXRPCC-QZTJIDSGSA-N 1 0 392.503 3.412 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)NC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000055870034 1407110279 /nfs/dbraw/zinc/11/02/79/1407110279.db2.gz NPTOYSMYTLBAIR-HDICACEKSA-N 1 0 384.524 3.050 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)NC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000055870036 1407111208 /nfs/dbraw/zinc/11/12/08/1407111208.db2.gz NPTOYSMYTLBAIR-QZTJIDSGSA-N 1 0 384.524 3.050 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000055996705 1407165874 /nfs/dbraw/zinc/16/58/74/1407165874.db2.gz CGQHTOKSWHOLGC-FCHUYYIVSA-N 1 0 375.472 3.494 20 30 GGEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000056160012 1407233412 /nfs/dbraw/zinc/23/34/12/1407233412.db2.gz JLLJITGPKGYFJR-HOTGVXAUSA-N 1 0 383.467 3.348 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1cccs1 ZINC000043145289 1403718674 /nfs/dbraw/zinc/71/86/74/1403718674.db2.gz KYEXOHFJIMROGH-IBGZPJMESA-N 1 0 397.548 3.144 20 30 GGEDRO COc1ccccc1CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043294219 1403742903 /nfs/dbraw/zinc/74/29/03/1403742903.db2.gz ZQLZGQNLHWDGGF-UHFFFAOYSA-N 1 0 392.503 3.027 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C)nn1-c1ccccn1)C(C)C ZINC000043723881 1403807724 /nfs/dbraw/zinc/80/77/24/1403807724.db2.gz ZJRRZVJKSLQMDO-GOSISDBHSA-N 1 0 382.512 3.396 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(C)C ZINC000043871104 1403837229 /nfs/dbraw/zinc/83/72/29/1403837229.db2.gz NUHKHCFIAPTTHG-MAUKXSAKSA-N 1 0 386.496 3.226 20 30 GGEDRO CNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccc(C(C)(C)C)cc1 ZINC000044556901 1403950455 /nfs/dbraw/zinc/95/04/55/1403950455.db2.gz WCMUZFVGJMLGGW-UHFFFAOYSA-O 1 0 396.536 3.315 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1ccc(OC)cc1OC)C(=S)NC(C)C ZINC000044557521 1403950508 /nfs/dbraw/zinc/95/05/08/1403950508.db2.gz NIBLCSADNCEXNX-UHFFFAOYSA-O 1 0 387.525 3.491 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC(=O)N3)C(=S)NC(C)C)cc1 ZINC000044557246 1403950744 /nfs/dbraw/zinc/95/07/44/1403950744.db2.gz BFKAFAMNFMTEEU-UHFFFAOYSA-O 1 0 396.536 3.358 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1nc2ccccc2o1 ZINC000044566106 1403951273 /nfs/dbraw/zinc/95/12/73/1403951273.db2.gz LMARSGPNEPLFMZ-UHFFFAOYSA-N 1 0 394.500 3.382 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000044566159 1403951398 /nfs/dbraw/zinc/95/13/98/1403951398.db2.gz HNIUOHPZSJWCRT-UHFFFAOYSA-N 1 0 386.499 3.482 20 30 GGEDRO Cc1nc(C(F)(F)F)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000044566458 1403952503 /nfs/dbraw/zinc/95/25/03/1403952503.db2.gz VOLGDJIHGQKBGJ-UHFFFAOYSA-N 1 0 390.409 3.485 20 30 GGEDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000045004544 1404035304 /nfs/dbraw/zinc/03/53/04/1404035304.db2.gz PNLZIWTZLGGXFU-AZUAARDMSA-N 1 0 382.460 3.152 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)NCCSCc1ccccc1C#N)c1cccs1 ZINC000045572843 1404149042 /nfs/dbraw/zinc/14/90/42/1404149042.db2.gz LHDSYUAESFMMGP-QGZVFWFLSA-N 1 0 388.562 3.455 20 30 GGEDRO CO[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000045577761 1404150879 /nfs/dbraw/zinc/15/08/79/1404150879.db2.gz ZAPRBWPUZGIFPZ-OAQYLSRUSA-N 1 0 380.492 3.019 20 30 GGEDRO CCOc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000045883939 1404234883 /nfs/dbraw/zinc/23/48/83/1404234883.db2.gz MNSWCFUPLSEZPL-UHFFFAOYSA-N 1 0 392.503 3.374 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000045894855 1404237274 /nfs/dbraw/zinc/23/72/74/1404237274.db2.gz HQAUZBDBYHVXOW-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000046033486 1404280214 /nfs/dbraw/zinc/28/02/14/1404280214.db2.gz KWHDOUUQVNGCCY-UHFFFAOYSA-N 1 0 384.402 3.494 20 30 GGEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NCc1ccc(C#N)cc1 ZINC000046044684 1404282598 /nfs/dbraw/zinc/28/25/98/1404282598.db2.gz BOHKJBVWBDOUPJ-UHFFFAOYSA-N 1 0 380.492 3.278 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CCc1nnc(-c2ccccc2)o1)C(C)C ZINC000046049144 1404284685 /nfs/dbraw/zinc/28/46/85/1404284685.db2.gz MYMQTUGCIRMBQY-LJQANCHMSA-N 1 0 382.508 3.484 20 30 GGEDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2-c2ccccc2C#N)C[C@H](C)O1 ZINC000046327660 1404365102 /nfs/dbraw/zinc/36/51/02/1404365102.db2.gz QWHHUYRURSZMIM-HDICACEKSA-N 1 0 377.488 3.454 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(N2CCOCC2)c1)C(C)C ZINC000056707267 1407402992 /nfs/dbraw/zinc/40/29/92/1407402992.db2.gz GEXZRKKUWBOKTP-OAQYLSRUSA-N 1 0 386.540 3.343 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000046426605 1404409801 /nfs/dbraw/zinc/40/98/01/1404409801.db2.gz HQVAKIHMSNJIKX-PMACEKPBSA-N 1 0 397.567 3.148 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000046796115 1404592297 /nfs/dbraw/zinc/59/22/97/1404592297.db2.gz ONWPXHJMJAVCBP-FQEVSTJZSA-N 1 0 393.487 3.117 20 30 GGEDRO CC(C)Oc1ncccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000046825820 1404604360 /nfs/dbraw/zinc/60/43/60/1404604360.db2.gz DMPUUHHOJXXRMV-UHFFFAOYSA-N 1 0 395.507 3.014 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2)C(C)C ZINC000046905576 1404629609 /nfs/dbraw/zinc/62/96/09/1404629609.db2.gz QVAMYPFDGMYBTP-OXJNMPFZSA-N 1 0 384.524 3.240 20 30 GGEDRO Cc1nn(C)c2sc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc12 ZINC000047011367 1404673414 /nfs/dbraw/zinc/67/34/14/1404673414.db2.gz HNJLLQFXAMAZIX-UHFFFAOYSA-N 1 0 381.505 3.019 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000047010342 1404674043 /nfs/dbraw/zinc/67/40/43/1404674043.db2.gz QORVQFHJUSMSEH-UHFFFAOYSA-N 1 0 381.451 3.251 20 30 GGEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000047052203 1404689049 /nfs/dbraw/zinc/68/90/49/1404689049.db2.gz KPJSKFWHOLEAJL-KRWDZBQOSA-N 1 0 375.476 3.264 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000047287128 1404788619 /nfs/dbraw/zinc/78/86/19/1404788619.db2.gz ITCCSEPILJFLLJ-UHFFFAOYSA-N 1 0 390.487 3.111 20 30 GGEDRO N#Cc1cccc(NC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000047338239 1404810989 /nfs/dbraw/zinc/81/09/89/1404810989.db2.gz KQXKITUIMHICAU-UHFFFAOYSA-N 1 0 391.519 3.278 20 30 GGEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000047726350 1404905554 /nfs/dbraw/zinc/90/55/54/1404905554.db2.gz FHDMCYQLSFWINZ-NRFANRHFSA-N 1 0 381.476 3.169 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)NCc1cccc(C#N)c1)[NH+]1CCCC1 ZINC000047914861 1404994250 /nfs/dbraw/zinc/99/42/50/1404994250.db2.gz YDFRLJHCXJQGKJ-FQEVSTJZSA-N 1 0 378.476 3.203 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047960256 1405010398 /nfs/dbraw/zinc/01/03/98/1405010398.db2.gz QKYRSJFXMSCUOQ-NRFANRHFSA-N 1 0 394.544 3.365 20 30 GGEDRO CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000048125584 1405065646 /nfs/dbraw/zinc/06/56/46/1405065646.db2.gz GVZHBTUIQCDEFK-UHFFFAOYSA-N 1 0 391.475 3.416 20 30 GGEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCC[NH+]3CCCCC3)c2)c1 ZINC000048126133 1405066067 /nfs/dbraw/zinc/06/60/67/1405066067.db2.gz ZTCMNJDMCXZHFU-UHFFFAOYSA-N 1 0 391.475 3.418 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000048149439 1405075921 /nfs/dbraw/zinc/07/59/21/1405075921.db2.gz WCFXWPFCQCQZLH-GOSISDBHSA-N 1 0 382.464 3.154 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000048160715 1405080105 /nfs/dbraw/zinc/08/01/05/1405080105.db2.gz HDFRVMLOXGIDBN-ROUUACIJSA-N 1 0 386.540 3.482 20 30 GGEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000048270181 1405122185 /nfs/dbraw/zinc/12/21/85/1405122185.db2.gz JLMJDSNNLQTBAF-UHFFFAOYSA-N 1 0 388.427 3.088 20 30 GGEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)C1 ZINC000048746638 1405279427 /nfs/dbraw/zinc/27/94/27/1405279427.db2.gz MNUAEQXSVLHIKT-KRWDZBQOSA-N 1 0 383.517 3.269 20 30 GGEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)C1 ZINC000048746606 1405280096 /nfs/dbraw/zinc/28/00/96/1405280096.db2.gz JELNMPHXZAYDPG-QGZVFWFLSA-N 1 0 383.517 3.269 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000048827392 1405300274 /nfs/dbraw/zinc/30/02/74/1405300274.db2.gz BUQPCVOGZWLXOX-QZTJIDSGSA-N 1 0 392.503 3.167 20 30 GGEDRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)[NH+](C)C)cc1 ZINC000048846873 1405306176 /nfs/dbraw/zinc/30/61/76/1405306176.db2.gz NUFHYBUQFBAKPD-IBGZPJMESA-N 1 0 398.894 3.132 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000048852429 1405307643 /nfs/dbraw/zinc/30/76/43/1405307643.db2.gz GLWZLLIXNBJTNV-LJQANCHMSA-N 1 0 398.894 3.349 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1Cl ZINC000048852732 1405309287 /nfs/dbraw/zinc/30/92/87/1405309287.db2.gz LUBRTGJSSSMFBB-IBGZPJMESA-N 1 0 396.878 3.103 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1Cl ZINC000048853669 1405309316 /nfs/dbraw/zinc/30/93/16/1405309316.db2.gz PLAQITPHPJJWTR-LJQANCHMSA-N 1 0 396.878 3.103 20 30 GGEDRO CC[NH+](CC)CC1CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 ZINC000049077406 1405338276 /nfs/dbraw/zinc/33/82/76/1405338276.db2.gz ZTATVUFZZWCJNI-UHFFFAOYSA-N 1 0 387.524 3.306 20 30 GGEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000049353677 1405370629 /nfs/dbraw/zinc/37/06/29/1405370629.db2.gz MSIPDDBMIZZKGA-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000049369507 1405372677 /nfs/dbraw/zinc/37/26/77/1405372677.db2.gz POPPRAKGAAMFBK-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO COc1ccc([C@H](CNC(=O)CNc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000050025167 1405454157 /nfs/dbraw/zinc/45/41/57/1405454157.db2.gz IFMPYDMOGXCQIO-QFIPXVFZSA-N 1 0 392.503 3.322 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2ccccc2COCc2ccccc2)CC1 ZINC000050031149 1405457419 /nfs/dbraw/zinc/45/74/19/1405457419.db2.gz PFDSLUFNHFBHCE-UHFFFAOYSA-N 1 0 376.500 3.365 20 30 GGEDRO COc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000050090497 1405478086 /nfs/dbraw/zinc/47/80/86/1405478086.db2.gz KHOPIWPXXNJXIU-UHFFFAOYSA-N 1 0 388.418 3.441 20 30 GGEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000051058294 1405715839 /nfs/dbraw/zinc/71/58/39/1405715839.db2.gz PSUQUVCRSSPHKZ-HXUWFJFHSA-N 1 0 398.551 3.178 20 30 GGEDRO Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)s1 ZINC000051098486 1405724139 /nfs/dbraw/zinc/72/41/39/1405724139.db2.gz BNJHJZMASKPCIK-UHFFFAOYSA-N 1 0 396.516 3.151 20 30 GGEDRO Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000051401124 1405804704 /nfs/dbraw/zinc/80/47/04/1405804704.db2.gz VYNLGNDXSMUOKY-UHFFFAOYSA-N 1 0 390.531 3.033 20 30 GGEDRO Cc1ccc(OC2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1C ZINC000051403994 1405805646 /nfs/dbraw/zinc/80/56/46/1405805646.db2.gz QYOBBXJSONPZLZ-FQEVSTJZSA-N 1 0 380.488 3.458 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)CN2CCC([NH+]3CCCCC3)CC2)c(OC)c1 ZINC000052003796 1405896182 /nfs/dbraw/zinc/89/61/82/1405896182.db2.gz ZKFGPWPKZUPWDH-OAQYLSRUSA-N 1 0 388.552 3.114 20 30 GGEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052002368 1405896322 /nfs/dbraw/zinc/89/63/22/1405896322.db2.gz LCSSLKCSVWIXBO-UHFFFAOYSA-N 1 0 398.551 3.282 20 30 GGEDRO COc1ccccc1NC(=O)C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000052641883 1406102297 /nfs/dbraw/zinc/10/22/97/1406102297.db2.gz YRKWKUVIOWZERZ-UHFFFAOYSA-N 1 0 379.460 3.296 20 30 GGEDRO CC(C)C[NH+]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000052660751 1406110780 /nfs/dbraw/zinc/11/07/80/1406110780.db2.gz SNGIGPWZOWNATF-INIZCTEOSA-N 1 0 388.581 3.489 20 30 GGEDRO CCC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)cc1 ZINC000052825521 1406186277 /nfs/dbraw/zinc/18/62/77/1406186277.db2.gz FUCJRYXTJMKZQP-UHFFFAOYSA-N 1 0 392.503 3.246 20 30 GGEDRO CCC[N@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000052825654 1406186745 /nfs/dbraw/zinc/18/67/45/1406186745.db2.gz KOYCLKRYLXKSLT-UHFFFAOYSA-N 1 0 380.448 3.127 20 30 GGEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052830024 1406190800 /nfs/dbraw/zinc/19/08/00/1406190800.db2.gz WGUTYEDNFRSHQJ-INIZCTEOSA-N 1 0 384.867 3.336 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1noc(C(C)C)n1 ZINC000052890758 1406216967 /nfs/dbraw/zinc/21/69/67/1406216967.db2.gz VLRFGBJSQWAXJZ-UHFFFAOYSA-N 1 0 376.530 3.291 20 30 GGEDRO C[NH+]=C(NCc1ccoc1)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000176311058 1428237051 /nfs/dbraw/zinc/23/70/51/1428237051.db2.gz RMWPAPJBKUJUFD-AWEZNQCLSA-N 1 0 391.313 3.234 20 30 GGEDRO C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056769312 1407426879 /nfs/dbraw/zinc/42/68/79/1407426879.db2.gz CMBXSWXRFQGBRP-SFHVURJKSA-N 1 0 392.503 3.112 20 30 GGEDRO C[NH+]=C(NCc1ccoc1)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000176315805 1428240740 /nfs/dbraw/zinc/24/07/40/1428240740.db2.gz SVLBSNMOOOOFOG-AWEZNQCLSA-N 1 0 391.313 3.234 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)CC1 ZINC000057170533 1407542621 /nfs/dbraw/zinc/54/26/21/1407542621.db2.gz UVQYQCDANBFBAM-UHFFFAOYSA-N 1 0 385.508 3.337 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)CC1 ZINC000057177578 1407547113 /nfs/dbraw/zinc/54/71/13/1407547113.db2.gz SDGBAKCIXQEBIC-UHFFFAOYSA-N 1 0 389.499 3.176 20 30 GGEDRO Cc1ccccc1OCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000057209651 1407556307 /nfs/dbraw/zinc/55/63/07/1407556307.db2.gz COCOLUMBZXNAAB-UHFFFAOYSA-N 1 0 380.492 3.019 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000057616830 1407668018 /nfs/dbraw/zinc/66/80/18/1407668018.db2.gz XIXHGQMBQCBJFF-OAQYLSRUSA-N 1 0 398.482 3.158 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000057618225 1407668654 /nfs/dbraw/zinc/66/86/54/1407668654.db2.gz CQXYEAGCBNJUBL-SFHVURJKSA-N 1 0 386.540 3.227 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000057695505 1407686324 /nfs/dbraw/zinc/68/63/24/1407686324.db2.gz BSOBWXXPDWTDCX-UHFFFAOYSA-N 1 0 390.487 3.189 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000057843709 1407736261 /nfs/dbraw/zinc/73/62/61/1407736261.db2.gz AGRZKZWSLPMNNL-UHFFFAOYSA-N 1 0 376.504 3.341 20 30 GGEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)COc1ccc(C#N)cc1OC ZINC000057923408 1407756419 /nfs/dbraw/zinc/75/64/19/1407756419.db2.gz RVHPIURGHPYUEH-UHFFFAOYSA-N 1 0 381.476 3.104 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000058397689 1407822933 /nfs/dbraw/zinc/82/29/33/1407822933.db2.gz CFDJIOOVMDFEIH-ISKFKSNPSA-N 1 0 394.515 3.462 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000058580508 1407847375 /nfs/dbraw/zinc/84/73/75/1407847375.db2.gz ZMTLAVUSKSFMAR-IBGZPJMESA-N 1 0 385.895 3.164 20 30 GGEDRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1C ZINC000058580520 1407847508 /nfs/dbraw/zinc/84/75/08/1407847508.db2.gz UOELBRMBSTYHKO-JOCHJYFZSA-N 1 0 393.531 3.436 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000058580504 1407847576 /nfs/dbraw/zinc/84/75/76/1407847576.db2.gz IBLKNCZCOIWHEU-JOCHJYFZSA-N 1 0 391.515 3.239 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1OCC#N ZINC000058936982 1407902236 /nfs/dbraw/zinc/90/22/36/1407902236.db2.gz YFLWPXYJPRQHTP-SOFGYWHQSA-N 1 0 383.492 3.088 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000059358259 1407919637 /nfs/dbraw/zinc/91/96/37/1407919637.db2.gz XYHPGQABYDVSSM-HXUWFJFHSA-N 1 0 396.491 3.035 20 30 GGEDRO COc1ccc(CC(=[NH2+])NOC=C(O)c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000060454937 1407980716 /nfs/dbraw/zinc/98/07/16/1407980716.db2.gz RWROFARYUPRVPV-UHFFFAOYSA-N 1 0 398.488 3.273 20 30 GGEDRO CC[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469327 1407984449 /nfs/dbraw/zinc/98/44/49/1407984449.db2.gz YTSRRKYNMIHGGS-GOSISDBHSA-N 1 0 396.560 3.347 20 30 GGEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000060509761 1407993917 /nfs/dbraw/zinc/99/39/17/1407993917.db2.gz UFPXMWGEZURJDO-NRFANRHFSA-N 1 0 383.517 3.310 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000060578912 1408005073 /nfs/dbraw/zinc/00/50/73/1408005073.db2.gz KCBZQMPKZXSGMV-UHFFFAOYSA-N 1 0 399.535 3.450 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccs2)on1 ZINC000060575940 1408005576 /nfs/dbraw/zinc/00/55/76/1408005576.db2.gz ZQBZFAQDZQIFMO-UHFFFAOYSA-N 1 0 380.473 3.479 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000060920779 1408051710 /nfs/dbraw/zinc/05/17/10/1408051710.db2.gz YLTRHVXDEKHTOJ-UHFFFAOYSA-N 1 0 383.517 3.413 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]CCS(=O)(=O)c2ccccc2)ccc1OC ZINC000060949306 1408055503 /nfs/dbraw/zinc/05/55/03/1408055503.db2.gz IPHLSBWNXCMLEW-UHFFFAOYSA-N 1 0 375.490 3.214 20 30 GGEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000061139498 1408081645 /nfs/dbraw/zinc/08/16/45/1408081645.db2.gz ACGFVEIDAYZRIW-UHFFFAOYSA-N 1 0 376.504 3.361 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(O)c1 ZINC000061242177 1408096248 /nfs/dbraw/zinc/09/62/48/1408096248.db2.gz DDVIFEQISIUMMX-HADWXUJASA-N 1 0 375.494 3.066 20 30 GGEDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cn1 ZINC000061635151 1408156133 /nfs/dbraw/zinc/15/61/33/1408156133.db2.gz VCMIEHCUNQZQRY-UHFFFAOYSA-N 1 0 389.459 3.148 20 30 GGEDRO N#Cc1ccc(NCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000061637081 1408156817 /nfs/dbraw/zinc/15/68/17/1408156817.db2.gz PWRBCNOJGNYEOX-UHFFFAOYSA-N 1 0 380.517 3.200 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2OC)C1)CC(F)(F)F ZINC000176392646 1428295675 /nfs/dbraw/zinc/29/56/75/1428295675.db2.gz WXBDRUXRXZPVRX-INIZCTEOSA-N 1 0 385.430 3.152 20 30 GGEDRO C=C(Br)CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791632 1408177037 /nfs/dbraw/zinc/17/70/37/1408177037.db2.gz IUBJRFYENGJVEI-UHFFFAOYSA-N 1 0 384.343 3.308 20 30 GGEDRO N#Cc1cccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000061793503 1408178293 /nfs/dbraw/zinc/17/82/93/1408178293.db2.gz APDLRRNOIQYFKR-UHFFFAOYSA-N 1 0 380.517 3.471 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000176394051 1428298086 /nfs/dbraw/zinc/29/80/86/1428298086.db2.gz GXIBUPPLBPXTBP-MRXNPFEDSA-N 1 0 382.430 3.093 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)C(C)C ZINC000062205174 1408218057 /nfs/dbraw/zinc/21/80/57/1408218057.db2.gz WNAOTQPGNHWBSY-GOSISDBHSA-N 1 0 377.916 3.402 20 30 GGEDRO Cc1ccccc1C1(C[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)CCOCC1 ZINC000062240216 1408222486 /nfs/dbraw/zinc/22/24/86/1408222486.db2.gz UXPSFXKIQVZOTM-IBGZPJMESA-N 1 0 383.536 3.364 20 30 GGEDRO CC(=O)c1cccc(O[C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000063245094 1408322383 /nfs/dbraw/zinc/32/23/83/1408322383.db2.gz QXKNBLRAWRSWKJ-GOSISDBHSA-N 1 0 393.487 3.119 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1)CC(F)(F)F ZINC000176412650 1428309739 /nfs/dbraw/zinc/30/97/39/1428309739.db2.gz KMSFKKXIEAKPAQ-HNNXBMFYSA-N 1 0 382.430 3.093 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000063401490 1408349168 /nfs/dbraw/zinc/34/91/68/1408349168.db2.gz BLNGBNPEYCVOHO-UHFFFAOYSA-N 1 0 392.503 3.396 20 30 GGEDRO CCc1c(C(=O)C(C(=S)NC)[n+]2ccc3c(c2)CCCC3)[nH]c(C)c1C(C)=O ZINC000063440478 1408354238 /nfs/dbraw/zinc/35/42/38/1408354238.db2.gz FNRPLWAUQYENDA-UHFFFAOYSA-O 1 0 398.552 3.413 20 30 GGEDRO CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(CC)cc1 ZINC000063440134 1408354443 /nfs/dbraw/zinc/35/44/43/1408354443.db2.gz VKUNUSBOLMPYGS-UHFFFAOYSA-O 1 0 386.541 3.486 20 30 GGEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccccc1OC ZINC000063482422 1408361831 /nfs/dbraw/zinc/36/18/31/1408361831.db2.gz RDGUSYGORYKCDD-UHFFFAOYSA-N 1 0 394.475 3.246 20 30 GGEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000063497035 1408364441 /nfs/dbraw/zinc/36/44/41/1408364441.db2.gz UTIODTIAWUVPDO-GOSISDBHSA-N 1 0 379.460 3.439 20 30 GGEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000063549881 1408370890 /nfs/dbraw/zinc/37/08/90/1408370890.db2.gz GDMHVACDFRHPCD-UHFFFAOYSA-N 1 0 388.533 3.369 20 30 GGEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000063754511 1408400858 /nfs/dbraw/zinc/40/08/58/1408400858.db2.gz SRFLYAOASUNLDF-UHFFFAOYSA-N 1 0 378.428 3.322 20 30 GGEDRO COc1cccc(CN(C)C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1OC ZINC000063751063 1408401415 /nfs/dbraw/zinc/40/14/15/1408401415.db2.gz KWIXGSGIVCGHMF-UHFFFAOYSA-N 1 0 395.503 3.444 20 30 GGEDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C#N)cc1 ZINC000063754567 1408403496 /nfs/dbraw/zinc/40/34/96/1408403496.db2.gz RVGHOIFGKGUIQW-UHFFFAOYSA-N 1 0 396.447 3.252 20 30 GGEDRO C#CCCOc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1 ZINC000063823899 1408420925 /nfs/dbraw/zinc/42/09/25/1408420925.db2.gz VYUMSKKGPSBAHY-JXAWBTAJSA-N 1 0 386.542 3.384 20 30 GGEDRO N#CCSc1ccccc1NC(=O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000064129795 1408491593 /nfs/dbraw/zinc/49/15/93/1408491593.db2.gz PXQCFIFUOVFSMB-UHFFFAOYSA-N 1 0 386.565 3.439 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000064280410 1408527853 /nfs/dbraw/zinc/52/78/53/1408527853.db2.gz ZUUBBWUVBJBIJB-UHFFFAOYSA-N 1 0 389.499 3.299 20 30 GGEDRO CCOc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)cc(OCC)c1OCC ZINC000064361919 1408541145 /nfs/dbraw/zinc/54/11/45/1408541145.db2.gz XZNKAQRJSMMWFM-UHFFFAOYSA-N 1 0 391.512 3.190 20 30 GGEDRO N#Cc1ccc(OCC[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000064481002 1408564199 /nfs/dbraw/zinc/56/41/99/1408564199.db2.gz FSXBHAIVSJADBI-UHFFFAOYSA-N 1 0 383.879 3.439 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCC(=O)OC ZINC000064570529 1408579604 /nfs/dbraw/zinc/57/96/04/1408579604.db2.gz IQSRWJIPTKOUNN-UHFFFAOYSA-N 1 0 377.510 3.102 20 30 GGEDRO COc1ccc(C[NH2+]CCNC(=O)c2ccccc2F)cc1OCCCC#N ZINC000064614239 1408586080 /nfs/dbraw/zinc/58/60/80/1408586080.db2.gz SIPQPBDALASVNQ-UHFFFAOYSA-N 1 0 385.439 3.036 20 30 GGEDRO COc1ccc(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1OCCCC#N ZINC000064613776 1408586243 /nfs/dbraw/zinc/58/62/43/1408586243.db2.gz URTPYPMFKNWSNW-HDICACEKSA-N 1 0 389.540 3.355 20 30 GGEDRO Cc1ccc(C)c(OC2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000064631707 1408588489 /nfs/dbraw/zinc/58/84/89/1408588489.db2.gz JSFITBQSMCXIDC-FQEVSTJZSA-N 1 0 380.488 3.458 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCN(c2nccs2)CC1)C(C)C ZINC000064757190 1408608713 /nfs/dbraw/zinc/60/87/13/1408608713.db2.gz OVCWUSPUKUAJIK-GOSISDBHSA-N 1 0 391.585 3.063 20 30 GGEDRO C=CCc1cc(CNC(=O)NCC2([NH+](C)C)CCCCC2)cc(OC)c1OC ZINC000065284097 1408659891 /nfs/dbraw/zinc/65/98/91/1408659891.db2.gz YTKFZBMUQAZLHB-UHFFFAOYSA-N 1 0 389.540 3.496 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000176500617 1428341400 /nfs/dbraw/zinc/34/14/00/1428341400.db2.gz LLYKCNSHTJBZHP-UHFFFAOYSA-N 1 0 399.583 3.061 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000176500263 1428341513 /nfs/dbraw/zinc/34/15/13/1428341513.db2.gz RNGKLVHULGDQEA-HXUWFJFHSA-N 1 0 383.492 3.175 20 30 GGEDRO COc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1OC ZINC000065930127 1408755839 /nfs/dbraw/zinc/75/58/39/1408755839.db2.gz HQCMJESIGQLRKD-UHFFFAOYSA-N 1 0 395.503 3.098 20 30 GGEDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000065975163 1408765963 /nfs/dbraw/zinc/76/59/63/1408765963.db2.gz IPCLBHPIQXKAAJ-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO CC(C)Oc1cccc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000066022934 1408775150 /nfs/dbraw/zinc/77/51/50/1408775150.db2.gz FVPADCAPOUMBNJ-UHFFFAOYSA-N 1 0 379.504 3.478 20 30 GGEDRO C#CCOc1ccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cc1 ZINC000066145083 1408784690 /nfs/dbraw/zinc/78/46/90/1408784690.db2.gz XZVVEQNXLMCYHY-ATVHPVEESA-N 1 0 388.558 3.488 20 30 GGEDRO Cc1csc(CCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000066204759 1408790597 /nfs/dbraw/zinc/79/05/97/1408790597.db2.gz FELRHZPBZAWQTN-UHFFFAOYSA-N 1 0 399.564 3.419 20 30 GGEDRO CC[NH+](CC)CCn1c(SC[C@H](C#N)CCC#N)nc2ccccc2c1=O ZINC000066239085 1408793675 /nfs/dbraw/zinc/79/36/75/1408793675.db2.gz LSGUKYFZANALGQ-INIZCTEOSA-N 1 0 383.521 3.274 20 30 GGEDRO C[NH+](C)CCNC(=O)c1cccc(C/N=C/c2c(O)ccc3ccccc32)c1 ZINC000066255530 1408798052 /nfs/dbraw/zinc/79/80/52/1408798052.db2.gz GWQFAOHCCGYZBQ-LFVJCYFKSA-N 1 0 375.472 3.456 20 30 GGEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000066390478 1408828492 /nfs/dbraw/zinc/82/84/92/1408828492.db2.gz MEBMMRBBTSZELX-KRWDZBQOSA-N 1 0 387.499 3.195 20 30 GGEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000066390511 1408828509 /nfs/dbraw/zinc/82/85/09/1408828509.db2.gz DBSARXCVUXJLEJ-MRXNPFEDSA-N 1 0 381.451 3.362 20 30 GGEDRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)NC3(C#N)CCCCC3)CCOCC2)cc1 ZINC000066392890 1408829316 /nfs/dbraw/zinc/82/93/16/1408829316.db2.gz FEDKCLBUYCHQIJ-GOSISDBHSA-N 1 0 399.535 3.064 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(c2cc(C)ccc2OC)CCOCC1 ZINC000066392655 1408829487 /nfs/dbraw/zinc/82/94/87/1408829487.db2.gz FZOOVTLKKDFCAM-IBGZPJMESA-N 1 0 388.552 3.455 20 30 GGEDRO Cc1ccc(C)c(OC2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000066437285 1408838187 /nfs/dbraw/zinc/83/81/87/1408838187.db2.gz JSFITBQSMCXIDC-HXUWFJFHSA-N 1 0 380.488 3.458 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)CC1 ZINC000066440260 1408838872 /nfs/dbraw/zinc/83/88/72/1408838872.db2.gz XBQHIMJTEQDAKB-UHFFFAOYSA-N 1 0 390.483 3.005 20 30 GGEDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066622310 1408870910 /nfs/dbraw/zinc/87/09/10/1408870910.db2.gz QJXIZYJISVGNDY-UHFFFAOYSA-N 1 0 398.551 3.436 20 30 GGEDRO C[C@@H]1CCC[C@](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)([NH+](C)C)C1 ZINC000066623109 1408871410 /nfs/dbraw/zinc/87/14/10/1408871410.db2.gz YJQMITJJLKXERT-XXBNENTESA-N 1 0 398.551 3.340 20 30 GGEDRO CC(=O)Nc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(C(F)(F)F)c1 ZINC000176546940 1428359125 /nfs/dbraw/zinc/35/91/25/1428359125.db2.gz RJFODUQFLHMREI-UHFFFAOYSA-N 1 0 399.417 3.363 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831288 1408923409 /nfs/dbraw/zinc/92/34/09/1408923409.db2.gz OIBGIFYPVXQHKM-QGZVFWFLSA-N 1 0 381.524 3.464 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000066877560 1408940318 /nfs/dbraw/zinc/94/03/18/1408940318.db2.gz LXHUDLNDTJUPDY-HSZRJFAPSA-N 1 0 396.510 3.339 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899384 1408945544 /nfs/dbraw/zinc/94/55/44/1408945544.db2.gz ZLCWTCWQUQKJNM-IBGZPJMESA-N 1 0 377.444 3.495 20 30 GGEDRO CC1CCN(C(=O)c2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)CC1 ZINC000176555657 1428362396 /nfs/dbraw/zinc/36/23/96/1428362396.db2.gz MUJLKXLQIGBHNK-UHFFFAOYSA-N 1 0 399.539 3.258 20 30 GGEDRO CC(=O)N1CCC(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905992 1408948492 /nfs/dbraw/zinc/94/84/92/1408948492.db2.gz GXYLQMVWVSFUDS-UHFFFAOYSA-N 1 0 377.488 3.485 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)[C@H](C)N1CCOCC1 ZINC000066906038 1408948582 /nfs/dbraw/zinc/94/85/82/1408948582.db2.gz ROKQBPRCVJQLMC-MOPGFXCFSA-N 1 0 379.504 3.336 20 30 GGEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000176558794 1428363760 /nfs/dbraw/zinc/36/37/60/1428363760.db2.gz ITSSMGMXGWXVPA-LJQANCHMSA-N 1 0 396.878 3.103 20 30 GGEDRO COc1ccc(C[NH2+]CCCc2nnc3n2CCCCC3)cc1OCCCC#N ZINC000066993920 1408974665 /nfs/dbraw/zinc/97/46/65/1408974665.db2.gz DWCYPSZIARLHIB-UHFFFAOYSA-N 1 0 397.523 3.418 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)CC2)nc1 ZINC000067011108 1408979679 /nfs/dbraw/zinc/97/96/79/1408979679.db2.gz RUUHQSNZZKYSHY-UHFFFAOYSA-N 1 0 384.867 3.136 20 30 GGEDRO COc1cc2c(cc1C[NH2+]C1CCN(c3ccc(C#N)cn3)CC1)O[C@@H](C)C2 ZINC000067011004 1408979972 /nfs/dbraw/zinc/97/99/72/1408979972.db2.gz HIPRMMBTAAGROR-HNNXBMFYSA-N 1 0 378.476 3.044 20 30 GGEDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)cc1OCCCC#N ZINC000067122593 1409014074 /nfs/dbraw/zinc/01/40/74/1409014074.db2.gz APDSVWWVWZRICZ-FQEVSTJZSA-N 1 0 395.503 3.167 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000067231150 1409048737 /nfs/dbraw/zinc/04/87/37/1409048737.db2.gz IFJRTUGYKJXTLD-GHTZIAJQSA-N 1 0 394.471 3.101 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000067232547 1409049473 /nfs/dbraw/zinc/04/94/73/1409049473.db2.gz HNSFLXFAAMJZFA-KRWDZBQOSA-N 1 0 376.884 3.182 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)CC1 ZINC000067237650 1409050565 /nfs/dbraw/zinc/05/05/65/1409050565.db2.gz LLJDMWDALSYXON-KRWDZBQOSA-N 1 0 381.520 3.151 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000067318778 1409071392 /nfs/dbraw/zinc/07/13/92/1409071392.db2.gz GLFCEYISCLEKMD-UHFFFAOYSA-N 1 0 395.507 3.110 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000067319330 1409071493 /nfs/dbraw/zinc/07/14/93/1409071493.db2.gz GKZCQWQLOHEEON-UHFFFAOYSA-N 1 0 395.507 3.110 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000067343608 1409078946 /nfs/dbraw/zinc/07/89/46/1409078946.db2.gz UCCNFLLFDWCVNL-UHFFFAOYSA-N 1 0 393.487 3.102 20 30 GGEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000067351679 1409081671 /nfs/dbraw/zinc/08/16/71/1409081671.db2.gz LYKNHWSFGWPZRX-QGZVFWFLSA-N 1 0 390.487 3.012 20 30 GGEDRO C[NH+]1CCN(c2ccc(NC(=O)C(F)(F)C(F)F)c(C(F)(F)F)c2)CC1 ZINC000176592843 1428373357 /nfs/dbraw/zinc/37/33/57/1428373357.db2.gz DMIMFRQRCOSKII-UHFFFAOYSA-N 1 0 387.299 3.296 20 30 GGEDRO N#Cc1nc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccc1Cl ZINC000067370660 1409089570 /nfs/dbraw/zinc/08/95/70/1409089570.db2.gz WFDJCKDSXSCXJS-KRWDZBQOSA-N 1 0 396.926 3.040 20 30 GGEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000067371592 1409090097 /nfs/dbraw/zinc/09/00/97/1409090097.db2.gz WYFXVPUCJIQEJG-UHFFFAOYSA-N 1 0 390.409 3.481 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401033 1409103805 /nfs/dbraw/zinc/10/38/05/1409103805.db2.gz JYSNRSRXDPOISD-QRWLVFNGSA-N 1 0 377.916 3.094 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000067449971 1409121363 /nfs/dbraw/zinc/12/13/63/1409121363.db2.gz NQEJLOZRVUYNOB-UHFFFAOYSA-N 1 0 391.924 3.253 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000067498511 1409138752 /nfs/dbraw/zinc/13/87/52/1409138752.db2.gz QBXBSCJHJQMWQZ-SFHVURJKSA-N 1 0 387.524 3.351 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccc2ccc(C)nc21)C(C)C ZINC000067524686 1409144571 /nfs/dbraw/zinc/14/45/71/1409144571.db2.gz PXSDZOSPVRZXKP-HXUWFJFHSA-N 1 0 394.519 3.297 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000067577879 1409173819 /nfs/dbraw/zinc/17/38/19/1409173819.db2.gz FTPZEUSIYIDTGN-IAGOWNOFSA-N 1 0 390.553 3.153 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000067578001 1409173843 /nfs/dbraw/zinc/17/38/43/1409173843.db2.gz IQUQCYJUMUJOSW-IRXDYDNUSA-N 1 0 390.553 3.295 20 30 GGEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000067736006 1409217978 /nfs/dbraw/zinc/21/79/78/1409217978.db2.gz FLIXFYRSTYGMCS-ZDUSSCGKSA-N 1 0 384.402 3.351 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000067976289 1409267458 /nfs/dbraw/zinc/26/74/58/1409267458.db2.gz ZNNRHYBRTMCFNQ-JOCHJYFZSA-N 1 0 392.503 3.444 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000068115200 1409306889 /nfs/dbraw/zinc/30/68/89/1409306889.db2.gz TVDQADDJWBHVKP-UHFFFAOYSA-N 1 0 386.455 3.094 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000068115653 1409306942 /nfs/dbraw/zinc/30/69/42/1409306942.db2.gz USWLYPSFFCTEAQ-UHFFFAOYSA-N 1 0 393.462 3.039 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 ZINC000068115199 1409306974 /nfs/dbraw/zinc/30/69/74/1409306974.db2.gz GGGSEFSJQULPPD-UHFFFAOYSA-N 1 0 379.435 3.362 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000068115328 1409306997 /nfs/dbraw/zinc/30/69/97/1409306997.db2.gz MQNAFZLEDAPVRH-UHFFFAOYSA-N 1 0 389.499 3.209 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)C ZINC000068128208 1409309353 /nfs/dbraw/zinc/30/93/53/1409309353.db2.gz KGIBQVYMXFXSEP-MOPGFXCFSA-N 1 0 377.573 3.086 20 30 GGEDRO Cc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000068291764 1409354449 /nfs/dbraw/zinc/35/44/49/1409354449.db2.gz NXTODEADZJPCPO-UHFFFAOYSA-N 1 0 390.409 3.485 20 30 GGEDRO COc1cccc(CO[C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000068310225 1409360842 /nfs/dbraw/zinc/36/08/42/1409360842.db2.gz HIDXMVABGMHAMU-GOSISDBHSA-N 1 0 395.503 3.062 20 30 GGEDRO COc1ccc(SCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000068310586 1409360927 /nfs/dbraw/zinc/36/09/27/1409360927.db2.gz QUZCGHMWEKBOLA-UHFFFAOYSA-N 1 0 383.517 3.249 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000068399964 1409391193 /nfs/dbraw/zinc/39/11/93/1409391193.db2.gz KTFSDZBBCPDCNL-UHFFFAOYSA-N 1 0 378.520 3.486 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC1CCOCC1)[n+]1ccc(C)cc1 ZINC000068866396 1409511137 /nfs/dbraw/zinc/51/11/37/1409511137.db2.gz NRBWPJDLCOJGLG-UHFFFAOYSA-O 1 0 399.536 3.307 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)CCCCC#N)cc2)C1 ZINC000068881218 1409514367 /nfs/dbraw/zinc/51/43/67/1409514367.db2.gz IAGLCCKCTKWLGW-QZTJIDSGSA-N 1 0 377.554 3.278 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)CCCCC#N)cc2)C1 ZINC000068881215 1409514435 /nfs/dbraw/zinc/51/44/35/1409514435.db2.gz IAGLCCKCTKWLGW-ROUUACIJSA-N 1 0 377.554 3.278 20 30 GGEDRO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCCCC#N ZINC000068908696 1409522188 /nfs/dbraw/zinc/52/21/88/1409522188.db2.gz JUCVTSCVECAFGU-FQEVSTJZSA-N 1 0 377.554 3.387 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-n4cncn4)cc3)C2)c(F)c1 ZINC000068991073 1409538041 /nfs/dbraw/zinc/53/80/41/1409538041.db2.gz JUPIHYHQPFRGSE-GOSISDBHSA-N 1 0 376.439 3.037 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3nccn3CC(F)(F)F)C2)c(F)c1 ZINC000068991117 1409538093 /nfs/dbraw/zinc/53/80/93/1409538093.db2.gz UZVKLUMNZSTZTH-CQSZACIVSA-N 1 0 381.377 3.215 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3nccn3CC(F)(F)F)C2)c(F)c1 ZINC000068991115 1409538111 /nfs/dbraw/zinc/53/81/11/1409538111.db2.gz UZVKLUMNZSTZTH-AWEZNQCLSA-N 1 0 381.377 3.215 20 30 GGEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc2c1OCO2 ZINC000068991610 1409538446 /nfs/dbraw/zinc/53/84/46/1409538446.db2.gz MCBFKHRHSUMRPO-MRXNPFEDSA-N 1 0 383.423 3.193 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069006299 1409542293 /nfs/dbraw/zinc/54/22/93/1409542293.db2.gz VACIRVXJTOCDIC-QFIPXVFZSA-N 1 0 377.488 3.198 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c(OC)c1 ZINC000069030752 1409547542 /nfs/dbraw/zinc/54/75/42/1409547542.db2.gz ZVNQJEFNTXAPIJ-RTWAWAEBSA-N 1 0 388.552 3.114 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccc(N(C)C)cc1 ZINC000069047756 1409553512 /nfs/dbraw/zinc/55/35/12/1409553512.db2.gz GYTSJWJOJUTHDU-UHFFFAOYSA-O 1 0 398.552 3.399 20 30 GGEDRO C=C(Br)CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000069117337 1409570465 /nfs/dbraw/zinc/57/04/65/1409570465.db2.gz FZPYPQIJFFXCQO-GJZGRUSLSA-N 1 0 396.329 3.004 20 30 GGEDRO C=C(Br)CNC(=O)NCc1ccccc1OCC[NH+](CC)CC ZINC000069118310 1409571171 /nfs/dbraw/zinc/57/11/71/1409571171.db2.gz YSQFTNUDHKGSLY-UHFFFAOYSA-N 1 0 384.318 3.115 20 30 GGEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000069247215 1409592382 /nfs/dbraw/zinc/59/23/82/1409592382.db2.gz HKADARQBDGZIQY-MRXNPFEDSA-N 1 0 394.475 3.136 20 30 GGEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc(OCC#N)cc1 ZINC000069261847 1409597260 /nfs/dbraw/zinc/59/72/60/1409597260.db2.gz FUZOTVVVZBXYNO-UHFFFAOYSA-N 1 0 380.492 3.430 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000069266921 1409598544 /nfs/dbraw/zinc/59/85/44/1409598544.db2.gz OAPATRAUMXGDMW-UHFFFAOYSA-N 1 0 378.476 3.184 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000069306775 1409611204 /nfs/dbraw/zinc/61/12/04/1409611204.db2.gz FSXPEZONOBJBOB-GOSISDBHSA-N 1 0 398.532 3.362 20 30 GGEDRO C=CCCO[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000069355130 1409620661 /nfs/dbraw/zinc/62/06/61/1409620661.db2.gz OMZNFMSLDFUBEJ-AWEZNQCLSA-N 1 0 385.430 3.377 20 30 GGEDRO C=CCCO[C@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000069359420 1409621891 /nfs/dbraw/zinc/62/18/91/1409621891.db2.gz OHDGFBAUCLNSBE-LJQANCHMSA-N 1 0 394.519 3.324 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000069607006 1409660935 /nfs/dbraw/zinc/66/09/35/1409660935.db2.gz CTOJWGZMHYQBHU-JOCHJYFZSA-N 1 0 391.519 3.367 20 30 GGEDRO C=CCOc1cccc(NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000069656610 1409670762 /nfs/dbraw/zinc/67/07/62/1409670762.db2.gz LMZGREALHZHXTI-JOCHJYFZSA-N 1 0 394.519 3.362 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000069722150 1409683045 /nfs/dbraw/zinc/68/30/45/1409683045.db2.gz LLMQBSFWBGDYTG-NRFANRHFSA-N 1 0 378.476 3.225 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(CS(C)(=O)=O)c1)C(C)C ZINC000069788002 1409699408 /nfs/dbraw/zinc/69/94/08/1409699408.db2.gz JMQBHBYJOWHWKF-LJQANCHMSA-N 1 0 393.553 3.051 20 30 GGEDRO CCOc1ccccc1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000069828030 1409711113 /nfs/dbraw/zinc/71/11/13/1409711113.db2.gz KCIVEKANZRQCKM-UHFFFAOYSA-N 1 0 394.519 3.273 20 30 GGEDRO C=CC[N@@H+](CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)CC1CCCCC1 ZINC000069859889 1409716547 /nfs/dbraw/zinc/71/65/47/1409716547.db2.gz QOIRACOHEVWFIE-UHFFFAOYSA-N 1 0 377.573 3.160 20 30 GGEDRO C=CCN(Cc1ccccc1)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069862951 1409717344 /nfs/dbraw/zinc/71/73/44/1409717344.db2.gz KHTMSRXBEYYXNO-QHCPKHFHSA-N 1 0 392.547 3.373 20 30 GGEDRO C[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000069874253 1409719415 /nfs/dbraw/zinc/71/94/15/1409719415.db2.gz HZOXGPGXOOXTQB-SFHVURJKSA-N 1 0 392.613 3.059 20 30 GGEDRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000069874256 1409719675 /nfs/dbraw/zinc/71/96/75/1409719675.db2.gz HZOXGPGXOOXTQB-GOSISDBHSA-N 1 0 392.613 3.059 20 30 GGEDRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3cccc(C#N)c3)c2C1 ZINC000069924675 1409725553 /nfs/dbraw/zinc/72/55/53/1409725553.db2.gz AWRPEWNZBBWBDR-MRXNPFEDSA-N 1 0 390.487 3.173 20 30 GGEDRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3ccc(C#N)cc3)c2C1 ZINC000069924705 1409725567 /nfs/dbraw/zinc/72/55/67/1409725567.db2.gz XRKGSOJNZYAUHJ-INIZCTEOSA-N 1 0 390.487 3.173 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000070033129 1409742738 /nfs/dbraw/zinc/74/27/38/1409742738.db2.gz XLRJGKCQOOCPCQ-FQEVSTJZSA-N 1 0 377.488 3.453 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2CCO)sc2c1CCCCC2 ZINC000070823665 1409784530 /nfs/dbraw/zinc/78/45/30/1409784530.db2.gz WFZXVRAWONQWLO-HNNXBMFYSA-N 1 0 375.538 3.454 20 30 GGEDRO CN(C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C1(C#N)CCCCC1 ZINC000070976468 1409809485 /nfs/dbraw/zinc/80/94/85/1409809485.db2.gz HJASDQDBLDOCKT-IBGZPJMESA-N 1 0 385.508 3.058 20 30 GGEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccccc2C)CC1)c1cccc(C#N)c1 ZINC000176719714 1428432218 /nfs/dbraw/zinc/43/22/18/1428432218.db2.gz ALMMSIANDYMZCN-QFIPXVFZSA-N 1 0 377.488 3.335 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000072026464 1409838785 /nfs/dbraw/zinc/83/87/85/1409838785.db2.gz KIEPIOOBTMCNRF-KRWDZBQOSA-N 1 0 375.472 3.351 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(COCCOCC)c2C)CC1 ZINC000072597845 1409851525 /nfs/dbraw/zinc/85/15/25/1409851525.db2.gz FOBDDDJQVYACJG-UHFFFAOYSA-N 1 0 375.513 3.320 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000072719525 1409852584 /nfs/dbraw/zinc/85/25/84/1409852584.db2.gz INPUMJOBVXOLJF-NRFANRHFSA-N 1 0 382.552 3.358 20 30 GGEDRO CCC1(O)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000072724322 1409853090 /nfs/dbraw/zinc/85/30/90/1409853090.db2.gz GOYVKEZOVWDWEM-CQSZACIVSA-N 1 0 375.538 3.310 20 30 GGEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000072895704 1409855070 /nfs/dbraw/zinc/85/50/70/1409855070.db2.gz MZPPXYARLVFXKH-OALUTQOASA-N 1 0 376.504 3.482 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000074621085 1409873919 /nfs/dbraw/zinc/87/39/19/1409873919.db2.gz COMJTBSWUIZONI-JTHBVZDNSA-N 1 0 376.504 3.362 20 30 GGEDRO N#Cc1ccsc1N1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1=O ZINC000176728277 1428438126 /nfs/dbraw/zinc/43/81/26/1428438126.db2.gz LKKQWLVMGTXAPU-GOSISDBHSA-N 1 0 399.491 3.202 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000077315106 1409895606 /nfs/dbraw/zinc/89/56/06/1409895606.db2.gz BMMMELGEKYVYJA-RTWAWAEBSA-N 1 0 382.552 3.499 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000077385559 1409895888 /nfs/dbraw/zinc/89/58/88/1409895888.db2.gz IRNYOLUFWMDCNA-UHFFFAOYSA-N 1 0 375.538 3.143 20 30 GGEDRO N#CCCN(Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000078419232 1409917191 /nfs/dbraw/zinc/91/71/91/1409917191.db2.gz GPAFTUKOGANBIJ-IBGZPJMESA-N 1 0 380.467 3.375 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000078486103 1409920557 /nfs/dbraw/zinc/92/05/57/1409920557.db2.gz KSJJZJOGFSIHPQ-JOCHJYFZSA-N 1 0 376.504 3.490 20 30 GGEDRO CC1CC[NH+](Cc2cccc(CNS(=O)(=O)Cc3cccc(C#N)c3)c2)CC1 ZINC000078714351 1409933082 /nfs/dbraw/zinc/93/30/82/1409933082.db2.gz RKKIZAPFHNJICK-UHFFFAOYSA-N 1 0 397.544 3.410 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000080119870 1410000998 /nfs/dbraw/zinc/00/09/98/1410000998.db2.gz BOUABIOJKATXCC-GOSISDBHSA-N 1 0 376.932 3.258 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000081300868 1410016953 /nfs/dbraw/zinc/01/69/53/1410016953.db2.gz COUHZUCAXXSRSY-UHFFFAOYSA-N 1 0 376.504 3.303 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000081484951 1410020022 /nfs/dbraw/zinc/02/00/22/1410020022.db2.gz ORBFJDAVBCITJA-IBGZPJMESA-N 1 0 376.504 3.256 20 30 GGEDRO CCOC[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000081520082 1410020741 /nfs/dbraw/zinc/02/07/41/1410020741.db2.gz PJYGNOYILYCQQW-CABCVRRESA-N 1 0 375.538 3.432 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081533750 1410021316 /nfs/dbraw/zinc/02/13/16/1410021316.db2.gz CJNBFLYEFAPPEJ-JOCHJYFZSA-N 1 0 376.504 3.140 20 30 GGEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000089066486 1410051719 /nfs/dbraw/zinc/05/17/19/1410051719.db2.gz UPCWXONOZJJZLJ-MRXNPFEDSA-N 1 0 375.517 3.233 20 30 GGEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000089066487 1410052128 /nfs/dbraw/zinc/05/21/28/1410052128.db2.gz UPCWXONOZJJZLJ-INIZCTEOSA-N 1 0 375.517 3.233 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C2CCC(CO)CC2)ccc1Cl ZINC000089924121 1410058692 /nfs/dbraw/zinc/05/86/92/1410058692.db2.gz GDUVWNPYVRFXCB-UHFFFAOYSA-N 1 0 377.916 3.378 20 30 GGEDRO C[C@H](O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000089929379 1410059185 /nfs/dbraw/zinc/05/91/85/1410059185.db2.gz ZGOIIBBVDFSFEB-LSDHHAIUSA-N 1 0 375.538 3.310 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000091792393 1410081185 /nfs/dbraw/zinc/08/11/85/1410081185.db2.gz ABEBQEAWBMOIGE-UHFFFAOYSA-N 1 0 376.504 3.107 20 30 GGEDRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(OC)c1OC ZINC000091792335 1410081211 /nfs/dbraw/zinc/08/12/11/1410081211.db2.gz DXXYUQRNNMEMPZ-UHFFFAOYSA-N 1 0 381.476 3.296 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091864204 1410087509 /nfs/dbraw/zinc/08/75/09/1410087509.db2.gz BRBWMDCERIZKRB-IBGZPJMESA-N 1 0 384.451 3.118 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091868051 1410088187 /nfs/dbraw/zinc/08/81/87/1410088187.db2.gz ZWLRRVIQKXIXJA-HXUWFJFHSA-N 1 0 398.478 3.313 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)cc1OCCCC#N ZINC000091952792 1410095384 /nfs/dbraw/zinc/09/53/84/1410095384.db2.gz KUNGRPZTLSHWHU-UHFFFAOYSA-N 1 0 387.524 3.457 20 30 GGEDRO CN(C)C(=O)COc1ccccc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000092034345 1410099202 /nfs/dbraw/zinc/09/92/02/1410099202.db2.gz GIVJIWFYMBWNJV-UHFFFAOYSA-N 1 0 393.487 3.069 20 30 GGEDRO N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)nc1 ZINC000092035156 1410100140 /nfs/dbraw/zinc/10/01/40/1410100140.db2.gz BNVLTMRTRXULKX-LWEYNCJUSA-N 1 0 396.535 3.414 20 30 GGEDRO CC(C)(CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000092148828 1410113184 /nfs/dbraw/zinc/11/31/84/1410113184.db2.gz GHXGKUSRMWABFI-UHFFFAOYSA-N 1 0 399.539 3.207 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000092189175 1410119260 /nfs/dbraw/zinc/11/92/60/1410119260.db2.gz UWFNHRNVXCDZEX-OAQYLSRUSA-N 1 0 390.487 3.127 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)c2)c1 ZINC000092218337 1410120814 /nfs/dbraw/zinc/12/08/14/1410120814.db2.gz NSNGRSBAPMOFPK-QHCPKHFHSA-N 1 0 391.515 3.434 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)cc2cccnc21)C(C)C ZINC000092221785 1410123449 /nfs/dbraw/zinc/12/34/49/1410123449.db2.gz BBEJBTIQAALCRC-FQEVSTJZSA-N 1 0 394.519 3.297 20 30 GGEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092282725 1410131985 /nfs/dbraw/zinc/13/19/85/1410131985.db2.gz KAGVMHFNXRPGIV-GPJFCIFZSA-N 1 0 399.539 3.207 20 30 GGEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1C ZINC000176781885 1428458937 /nfs/dbraw/zinc/45/89/37/1428458937.db2.gz QYZAVGUIIBNULH-UHFFFAOYSA-N 1 0 391.459 3.152 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000092505382 1410163787 /nfs/dbraw/zinc/16/37/87/1410163787.db2.gz YZYGKDIQFGGHTJ-INIZCTEOSA-N 1 0 385.430 3.064 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000092567941 1410174396 /nfs/dbraw/zinc/17/43/96/1410174396.db2.gz ZOKUIGDOJLXRFB-UHFFFAOYSA-N 1 0 392.459 3.477 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000092665688 1410186588 /nfs/dbraw/zinc/18/65/88/1410186588.db2.gz BTNANFHWYOWVOH-OYRHEFFESA-N 1 0 383.584 3.027 20 30 GGEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092706030 1410191803 /nfs/dbraw/zinc/19/18/03/1410191803.db2.gz RNLHKJPAFCCUIK-IBGZPJMESA-N 1 0 393.535 3.448 20 30 GGEDRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000092801229 1410202677 /nfs/dbraw/zinc/20/26/77/1410202677.db2.gz DVZZREFPZGHINC-MRXNPFEDSA-N 1 0 379.936 3.400 20 30 GGEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1[N+](=O)[O-] ZINC000092854026 1410205387 /nfs/dbraw/zinc/20/53/87/1410205387.db2.gz MVSULIIIODFRMW-UHFFFAOYSA-N 1 0 382.420 3.350 20 30 GGEDRO COCCOc1cccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000092854531 1410206142 /nfs/dbraw/zinc/20/61/42/1410206142.db2.gz QFGQHBPBEVJJQK-UHFFFAOYSA-N 1 0 381.476 3.458 20 30 GGEDRO N#CCCn1cc(C[NH+]2CCC(N3CCCC3=O)CC2)c(-c2ccccc2)n1 ZINC000093087687 1410221459 /nfs/dbraw/zinc/22/14/59/1410221459.db2.gz VKZPLTXTNVPDDH-UHFFFAOYSA-N 1 0 377.492 3.051 20 30 GGEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000093534474 1410250637 /nfs/dbraw/zinc/25/06/37/1410250637.db2.gz JNBBNGSXTMSUQQ-MRXNPFEDSA-N 1 0 384.436 3.250 20 30 GGEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000093614246 1410256006 /nfs/dbraw/zinc/25/60/06/1410256006.db2.gz JQQBZWULRXVJNG-SFTDATJTSA-N 1 0 388.508 3.130 20 30 GGEDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000093614245 1410256077 /nfs/dbraw/zinc/25/60/77/1410256077.db2.gz JQQBZWULRXVJNG-LEWJYISDSA-N 1 0 388.508 3.130 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(OCc3ccccc3F)CC2)CC1 ZINC000093797348 1410268924 /nfs/dbraw/zinc/26/89/24/1410268924.db2.gz JDIVMJRMFOYRFN-UHFFFAOYSA-N 1 0 375.488 3.167 20 30 GGEDRO C[NH+]1CCN(c2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)CC1 ZINC000096582333 1410333976 /nfs/dbraw/zinc/33/39/76/1410333976.db2.gz ZXLSIKDFYRWYTM-UHFFFAOYSA-N 1 0 380.517 3.182 20 30 GGEDRO COc1cc(/C=C/C(=O)N(CC(C)C)C2CC[NH+](C)CC2)ccc1OCC#N ZINC000097041258 1410348607 /nfs/dbraw/zinc/34/86/07/1410348607.db2.gz DRUHLVXOLGVSBI-SOFGYWHQSA-N 1 0 385.508 3.190 20 30 GGEDRO CC1CC[NH+](CCCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000097201916 1410357238 /nfs/dbraw/zinc/35/72/38/1410357238.db2.gz QYMYOCFRFCDSQI-UHFFFAOYSA-N 1 0 381.442 3.478 20 30 GGEDRO N#Cc1cc(F)ccc1NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000097473178 1410370819 /nfs/dbraw/zinc/37/08/19/1410370819.db2.gz YAUJKAZVTKLAHJ-UHFFFAOYSA-N 1 0 395.482 3.027 20 30 GGEDRO N#Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000097577231 1410380836 /nfs/dbraw/zinc/38/08/36/1410380836.db2.gz GTNXGPYUDNDRNB-UHFFFAOYSA-N 1 0 383.879 3.485 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(C)C ZINC000097577907 1410381140 /nfs/dbraw/zinc/38/11/40/1410381140.db2.gz KJOARWUIOVKYHF-IBGZPJMESA-N 1 0 392.507 3.219 20 30 GGEDRO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000176817080 1428479888 /nfs/dbraw/zinc/47/98/88/1428479888.db2.gz ALSZTNGXQJQQCL-YADHBBJMSA-N 1 0 398.551 3.227 20 30 GGEDRO COc1ccc(CCC(=O)N2CCCN(Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000101554173 1410461248 /nfs/dbraw/zinc/46/12/48/1410461248.db2.gz ZRYSPNUXOXLBFU-UHFFFAOYSA-N 1 0 395.478 3.373 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000101567291 1410467334 /nfs/dbraw/zinc/46/73/34/1410467334.db2.gz YRPIMZANFHCOQK-UHFFFAOYSA-N 1 0 398.488 3.155 20 30 GGEDRO C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000101604261 1410476167 /nfs/dbraw/zinc/47/61/67/1410476167.db2.gz JDLZQBHBPZGPJX-OAHLLOKOSA-N 1 0 381.455 3.332 20 30 GGEDRO C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000101604260 1410476308 /nfs/dbraw/zinc/47/63/08/1410476308.db2.gz JDLZQBHBPZGPJX-HNNXBMFYSA-N 1 0 381.455 3.332 20 30 GGEDRO C[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101669013 1410488754 /nfs/dbraw/zinc/48/87/54/1410488754.db2.gz HQWUOULFYQHYLO-KURKYZTESA-N 1 0 391.519 3.016 20 30 GGEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000101691605 1410491678 /nfs/dbraw/zinc/49/16/78/1410491678.db2.gz MCVJTOKFMGDBOH-UHFFFAOYSA-N 1 0 390.531 3.323 20 30 GGEDRO CCn1cc(NC(=S)C(C(=O)c2ccccc2C)[n+]2cccc(CO)c2)cn1 ZINC000101900281 1410515411 /nfs/dbraw/zinc/51/54/11/1410515411.db2.gz VTGOXFFATHSTTH-UHFFFAOYSA-O 1 0 395.508 3.042 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC000101909790 1410518488 /nfs/dbraw/zinc/51/84/88/1410518488.db2.gz JVQXZYFSOOCHQB-VQTJNVASSA-N 1 0 398.551 3.114 20 30 GGEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000101910217 1410518798 /nfs/dbraw/zinc/51/87/98/1410518798.db2.gz JHKZLKWEPPTQFE-OAHLLOKOSA-N 1 0 390.915 3.024 20 30 GGEDRO CC1CCC([N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C2CC2)CC1 ZINC000102390125 1410617560 /nfs/dbraw/zinc/61/75/60/1410617560.db2.gz HGYWEQTYLMTKIE-UHFFFAOYSA-N 1 0 380.492 3.323 20 30 GGEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000102390959 1410618631 /nfs/dbraw/zinc/61/86/31/1410618631.db2.gz JDRLVRALJQHOPB-NRFANRHFSA-N 1 0 388.471 3.426 20 30 GGEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000176884355 1428511714 /nfs/dbraw/zinc/51/17/14/1428511714.db2.gz JROWURDCJHPMGR-CYBMUJFWSA-N 1 0 380.416 3.284 20 30 GGEDRO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000102928718 1410809094 /nfs/dbraw/zinc/80/90/94/1410809094.db2.gz RBOMWGARBBCQEN-JOCHJYFZSA-N 1 0 383.492 3.358 20 30 GGEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000102955584 1410811684 /nfs/dbraw/zinc/81/16/84/1410811684.db2.gz UTHBMLYUIZUFFA-UHFFFAOYSA-N 1 0 382.439 3.446 20 30 GGEDRO C#Cc1cccc(N(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)c1 ZINC000103102347 1410827881 /nfs/dbraw/zinc/82/78/81/1410827881.db2.gz KLIJFDRSDAFLKZ-UHFFFAOYSA-N 1 0 391.452 3.140 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000103151721 1410832241 /nfs/dbraw/zinc/83/22/41/1410832241.db2.gz UOCMEGIUKSLHEX-XLIONFOSSA-N 1 0 385.464 3.002 20 30 GGEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103185050 1410835551 /nfs/dbraw/zinc/83/55/51/1410835551.db2.gz JDPVMXVDHVWCGM-QFIPXVFZSA-N 1 0 376.504 3.264 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H]1C[NH+]1CCCCC1)CCC2 ZINC000103482329 1410862501 /nfs/dbraw/zinc/86/25/01/1410862501.db2.gz LQPTYLXZDJMDRA-MRXNPFEDSA-N 1 0 386.565 3.387 20 30 GGEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(F)cc1 ZINC000103491440 1410863462 /nfs/dbraw/zinc/86/34/62/1410863462.db2.gz MCTAMMFHLJFBLK-UHFFFAOYSA-N 1 0 382.439 3.375 20 30 GGEDRO CC[NH+]=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)N1CCCC1 ZINC000103892128 1410878425 /nfs/dbraw/zinc/87/84/25/1410878425.db2.gz DYWAVFLUTBCTEI-OAHLLOKOSA-N 1 0 379.346 3.337 20 30 GGEDRO Cc1cnn(CCCCC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000104098378 1410884250 /nfs/dbraw/zinc/88/42/50/1410884250.db2.gz VQNODQJGICQVSJ-UHFFFAOYSA-N 1 0 394.479 3.304 20 30 GGEDRO CC1CCN(c2ccc(CNC(=[NH2+])Nc3ccc4c(c3)OCCCO4)cn2)CC1 ZINC000104163412 1410885852 /nfs/dbraw/zinc/88/58/52/1410885852.db2.gz BYZWUVBLCWQRQO-UHFFFAOYSA-N 1 0 395.507 3.406 20 30 GGEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000104159003 1410885893 /nfs/dbraw/zinc/88/58/93/1410885893.db2.gz DEFMMNIYLGGKLZ-HZPDHXFCSA-N 1 0 392.544 3.098 20 30 GGEDRO CCCC[NH+]=C(NCCc1nnc2n1CCCCC2)NCc1ccc(C)cc1 ZINC000104159113 1410885915 /nfs/dbraw/zinc/88/59/15/1410885915.db2.gz DBPKWDGHXTYCID-UHFFFAOYSA-N 1 0 382.556 3.391 20 30 GGEDRO CCN(CC)C(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)cc1 ZINC000104163273 1410885933 /nfs/dbraw/zinc/88/59/33/1410885933.db2.gz YDLLGVOFUWBYKO-UHFFFAOYSA-N 1 0 384.480 3.113 20 30 GGEDRO CC(C)c1cccc(NC(=[NH2+])NCC[C@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000104162566 1410885949 /nfs/dbraw/zinc/88/59/49/1410885949.db2.gz IVQGOZHPVPJUHN-KRWDZBQOSA-N 1 0 383.418 3.110 20 30 GGEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)N2CCOCC2)o1 ZINC000104158536 1410886034 /nfs/dbraw/zinc/88/60/34/1410886034.db2.gz BTYQKFDJHDNICG-LJQANCHMSA-N 1 0 386.496 3.175 20 30 GGEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2ccccc2OC)N2CCCC2)c1 ZINC000104155187 1410886057 /nfs/dbraw/zinc/88/60/57/1410886057.db2.gz FGHHZXGKSXUAOB-LJQANCHMSA-N 1 0 398.507 3.276 20 30 GGEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000104163756 1410886078 /nfs/dbraw/zinc/88/60/78/1410886078.db2.gz SWDGAJRKWYHRHG-INIZCTEOSA-N 1 0 381.524 3.358 20 30 GGEDRO [NH2+]=C(NCCNc1ncc(Cl)cc1Cl)Nc1ccc2c(c1)OCCCO2 ZINC000104171354 1410886184 /nfs/dbraw/zinc/88/61/84/1410886184.db2.gz XZRACWJSIFMVKT-UHFFFAOYSA-N 1 0 396.278 3.388 20 30 GGEDRO [NH2+]=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)Nc1ccc2c(c1)CCC2 ZINC000104180272 1410886236 /nfs/dbraw/zinc/88/62/36/1410886236.db2.gz WATIYWYTNONXPC-HXUWFJFHSA-N 1 0 378.476 3.220 20 30 GGEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000104172138 1410886318 /nfs/dbraw/zinc/88/63/18/1410886318.db2.gz MZWSSIPQPXZZDF-UHFFFAOYSA-N 1 0 389.521 3.206 20 30 GGEDRO [NH2+]=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)Nc1ccc2c(c1)CCC2 ZINC000104180270 1410886333 /nfs/dbraw/zinc/88/63/33/1410886333.db2.gz WATIYWYTNONXPC-FQEVSTJZSA-N 1 0 378.476 3.220 20 30 GGEDRO CCc1ccc(NC(=[NH2+])NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000104179195 1410886351 /nfs/dbraw/zinc/88/63/51/1410886351.db2.gz FDZSXKVVLCAERO-UHFFFAOYSA-N 1 0 381.476 3.453 20 30 GGEDRO CCc1ccc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000104179878 1410886378 /nfs/dbraw/zinc/88/63/78/1410886378.db2.gz KEVBYHZBDYTAAO-UHFFFAOYSA-N 1 0 388.537 3.253 20 30 GGEDRO COc1ccc(C(C)(C)CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)cc1 ZINC000104182496 1410886603 /nfs/dbraw/zinc/88/66/03/1410886603.db2.gz UVVMMDVKGDKGCJ-UHFFFAOYSA-N 1 0 385.508 3.137 20 30 GGEDRO Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000104327325 1410892093 /nfs/dbraw/zinc/89/20/93/1410892093.db2.gz ICYMVTVPRYSONK-UHFFFAOYSA-N 1 0 377.492 3.273 20 30 GGEDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000104684076 1410929220 /nfs/dbraw/zinc/92/92/20/1410929220.db2.gz NYTWUVBACUNIQA-CQSZACIVSA-N 1 0 375.538 3.453 20 30 GGEDRO C[C@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000104684073 1410929538 /nfs/dbraw/zinc/92/95/38/1410929538.db2.gz NYTWUVBACUNIQA-AWEZNQCLSA-N 1 0 375.538 3.453 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)c1 ZINC000104713588 1410937409 /nfs/dbraw/zinc/93/74/09/1410937409.db2.gz SOIDBWAIQWQBQH-UHFFFAOYSA-N 1 0 375.472 3.381 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)N3CCc4sccc4C3)CC2)c1 ZINC000104716329 1410941167 /nfs/dbraw/zinc/94/11/67/1410941167.db2.gz RYUNUKSNYDCYBD-UHFFFAOYSA-N 1 0 395.528 3.438 20 30 GGEDRO CCOc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104716266 1410941185 /nfs/dbraw/zinc/94/11/85/1410941185.db2.gz CREDYEIGELARFO-IBGZPJMESA-N 1 0 396.487 3.240 20 30 GGEDRO C=CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1cccs1 ZINC000104881398 1410988823 /nfs/dbraw/zinc/98/88/23/1410988823.db2.gz CAWIBDRWZPYJIV-UHFFFAOYSA-N 1 0 385.533 3.094 20 30 GGEDRO CC[NH+]1CCN(CCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000104901854 1410993379 /nfs/dbraw/zinc/99/33/79/1410993379.db2.gz UATHVTCIAGIHAI-UHFFFAOYSA-N 1 0 378.476 3.317 20 30 GGEDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000105016789 1411014784 /nfs/dbraw/zinc/01/47/84/1411014784.db2.gz XSHLPIHPHVGRDS-UHFFFAOYSA-N 1 0 382.464 3.392 20 30 GGEDRO CC(=O)Nc1cccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000176966421 1428533384 /nfs/dbraw/zinc/53/33/84/1428533384.db2.gz SKWJQWYXBRONQR-UHFFFAOYSA-N 1 0 380.370 3.148 20 30 GGEDRO [NH2+]=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1ccc(OC(F)(F)F)cc1 ZINC000176967827 1428533638 /nfs/dbraw/zinc/53/36/38/1428533638.db2.gz JXVGPLIKDZZCLO-UHFFFAOYSA-N 1 0 382.342 3.140 20 30 GGEDRO C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCC(C)CC1 ZINC000105198174 1411040926 /nfs/dbraw/zinc/04/09/26/1411040926.db2.gz JBFMCVCGDXNXLW-GOSISDBHSA-N 1 0 384.524 3.231 20 30 GGEDRO [NH2+]=C(NCCCCNc1ccccn1)NCc1ccc(OC(F)(F)F)cc1 ZINC000176968554 1428534044 /nfs/dbraw/zinc/53/40/44/1428534044.db2.gz MASUBDPRGNFWCK-UHFFFAOYSA-N 1 0 381.402 3.277 20 30 GGEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000105272683 1411047891 /nfs/dbraw/zinc/04/78/91/1411047891.db2.gz FDXXDPSDMWBIML-IBGZPJMESA-N 1 0 384.524 3.231 20 30 GGEDRO C[NH+]1CCC(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000105277551 1411049388 /nfs/dbraw/zinc/04/93/88/1411049388.db2.gz JUAKSMPUFVGKRX-UHFFFAOYSA-N 1 0 391.475 3.274 20 30 GGEDRO CN(C)C(=O)c1cccc(CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000105394252 1411062627 /nfs/dbraw/zinc/06/26/27/1411062627.db2.gz JFVYMRJFEPYUCM-UHFFFAOYSA-N 1 0 394.519 3.211 20 30 GGEDRO COC(=O)c1coc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)c1 ZINC000105391804 1411062792 /nfs/dbraw/zinc/06/27/92/1411062792.db2.gz JXGUQIZCQNGUOE-UHFFFAOYSA-O 1 0 387.481 3.215 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000105404120 1411062906 /nfs/dbraw/zinc/06/29/06/1411062906.db2.gz NNMWJXGQYSCVFN-YPMHNXCESA-N 1 0 390.484 3.309 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1COc2ccccc2O1 ZINC000105420710 1411065193 /nfs/dbraw/zinc/06/51/93/1411065193.db2.gz PKURXMFJAPUZBO-INIZCTEOSA-N 1 0 385.851 3.312 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1COc2ccccc2O1 ZINC000105420707 1411065271 /nfs/dbraw/zinc/06/52/71/1411065271.db2.gz PKURXMFJAPUZBO-MRXNPFEDSA-N 1 0 385.851 3.312 20 30 GGEDRO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000105427666 1411066003 /nfs/dbraw/zinc/06/60/03/1411066003.db2.gz IBYRREHKKMLPAL-KRWDZBQOSA-N 1 0 387.487 3.064 20 30 GGEDRO C[C@H]([C@H](C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1CCOCC1 ZINC000105501365 1411073519 /nfs/dbraw/zinc/07/35/19/1411073519.db2.gz YLJCDCAVJDXLJC-RBUKOAKNSA-N 1 0 379.504 3.336 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H](C)N1CCOCC1 ZINC000105501370 1411073782 /nfs/dbraw/zinc/07/37/82/1411073782.db2.gz YLJCDCAVJDXLJC-MOPGFXCFSA-N 1 0 379.504 3.336 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)CC1 ZINC000106035406 1411154142 /nfs/dbraw/zinc/15/41/42/1411154142.db2.gz ZGQGQRRTPUEVHD-UHFFFAOYSA-N 1 0 381.524 3.469 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000106034013 1411154506 /nfs/dbraw/zinc/15/45/06/1411154506.db2.gz IRFTWBMIRGAUGR-ZDUSSCGKSA-N 1 0 381.860 3.172 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000106035354 1411154952 /nfs/dbraw/zinc/15/49/52/1411154952.db2.gz DYJMGMOAYDDTAF-UHFFFAOYSA-N 1 0 399.516 3.238 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC000106035953 1411155035 /nfs/dbraw/zinc/15/50/35/1411155035.db2.gz PNHLZQJKZNENNY-FQEVSTJZSA-N 1 0 397.563 3.312 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000106034015 1411155092 /nfs/dbraw/zinc/15/50/92/1411155092.db2.gz IRFTWBMIRGAUGR-CYBMUJFWSA-N 1 0 381.860 3.172 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000106037661 1411155605 /nfs/dbraw/zinc/15/56/05/1411155605.db2.gz GNCXKWGKYJPKBU-KDURUIRLSA-N 1 0 385.552 3.066 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000106038075 1411155652 /nfs/dbraw/zinc/15/56/52/1411155652.db2.gz LNGBSEYTGHUONL-JOCHJYFZSA-N 1 0 391.515 3.314 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000106036520 1411155879 /nfs/dbraw/zinc/15/58/79/1411155879.db2.gz JGMVCEFMMZPAMD-UHFFFAOYSA-N 1 0 398.507 3.225 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000106037666 1411155981 /nfs/dbraw/zinc/15/59/81/1411155981.db2.gz GNCXKWGKYJPKBU-RTBURBONSA-N 1 0 385.552 3.066 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)CC1 ZINC000106037193 1411156134 /nfs/dbraw/zinc/15/61/34/1411156134.db2.gz OUKYZFORVGZUKI-UHFFFAOYSA-N 1 0 385.537 3.073 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)CC1 ZINC000106036692 1411156174 /nfs/dbraw/zinc/15/61/74/1411156174.db2.gz IWFLXHIBBFGKTO-UHFFFAOYSA-N 1 0 378.520 3.440 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000106040707 1411157005 /nfs/dbraw/zinc/15/70/05/1411157005.db2.gz CEZSLQGBUCLLSY-UHFFFAOYSA-N 1 0 384.524 3.087 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 ZINC000106040262 1411157199 /nfs/dbraw/zinc/15/71/99/1411157199.db2.gz UTIDMEAIXDTOHD-QGZVFWFLSA-N 1 0 389.565 3.212 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)CC1 ZINC000106039771 1411157417 /nfs/dbraw/zinc/15/74/17/1411157417.db2.gz HKEZFJNVYHJCGS-UHFFFAOYSA-N 1 0 387.915 3.308 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176992624 1428544489 /nfs/dbraw/zinc/54/44/89/1428544489.db2.gz FFFQDXBVCHOFDQ-IAGOWNOFSA-N 1 0 388.537 3.267 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000106256559 1411184689 /nfs/dbraw/zinc/18/46/89/1411184689.db2.gz RBBQKWJAJSINGX-NRFANRHFSA-N 1 0 387.524 3.495 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCC(C)CC3)nc2)CC1 ZINC000106262979 1411186197 /nfs/dbraw/zinc/18/61/97/1411186197.db2.gz WPQHGXPKYLEGJO-UHFFFAOYSA-N 1 0 385.556 3.158 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000106269012 1411186841 /nfs/dbraw/zinc/18/68/41/1411186841.db2.gz UZQXBTIVGRKUFJ-UHFFFAOYSA-N 1 0 397.466 3.179 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)Nc2cccc3ccccc32)CC1 ZINC000106275522 1411188655 /nfs/dbraw/zinc/18/86/55/1411188655.db2.gz KSLVDMIWRFVLNJ-UHFFFAOYSA-N 1 0 380.492 3.118 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000106276120 1411189557 /nfs/dbraw/zinc/18/95/57/1411189557.db2.gz NGCLBVDSAFIPFP-UHFFFAOYSA-N 1 0 396.988 3.269 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)NCCCCCC)C2)CC1 ZINC000106275681 1411189951 /nfs/dbraw/zinc/18/99/51/1411189951.db2.gz IDDMSIFRGDLQPZ-IBGZPJMESA-N 1 0 392.588 3.145 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000106275822 1411189993 /nfs/dbraw/zinc/18/99/93/1411189993.db2.gz DDMBGRMDWBKDOF-UHFFFAOYSA-N 1 0 397.466 3.479 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)CC1 ZINC000106275855 1411190022 /nfs/dbraw/zinc/19/00/22/1411190022.db2.gz LJCZQGZOUGOMNZ-FQEVSTJZSA-N 1 0 387.524 3.409 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)CC1 ZINC000106291214 1411191272 /nfs/dbraw/zinc/19/12/72/1411191272.db2.gz XAQZPRPXUCEANR-UHFFFAOYSA-N 1 0 399.564 3.463 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CC1 ZINC000106319838 1411194858 /nfs/dbraw/zinc/19/48/58/1411194858.db2.gz XBCWDANOPBYATE-UHFFFAOYSA-N 1 0 398.429 3.141 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)CC1 ZINC000106320226 1411194903 /nfs/dbraw/zinc/19/49/03/1411194903.db2.gz GAXPHHCEFGLOBM-UHFFFAOYSA-N 1 0 384.524 3.393 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)CC1 ZINC000106324435 1411195494 /nfs/dbraw/zinc/19/54/94/1411195494.db2.gz BHYVLDSSIOEVKX-UHFFFAOYSA-N 1 0 384.524 3.393 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000106330109 1411195948 /nfs/dbraw/zinc/19/59/48/1411195948.db2.gz QLRMWCLXMIESNG-UHFFFAOYSA-N 1 0 379.426 3.397 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000106335657 1411197117 /nfs/dbraw/zinc/19/71/17/1411197117.db2.gz BLOGWMFXVYWDOS-IAGOWNOFSA-N 1 0 398.429 3.022 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)CC1 ZINC000106348881 1411201420 /nfs/dbraw/zinc/20/14/20/1411201420.db2.gz RMQVNFSBNDULAW-UHFFFAOYSA-N 1 0 396.491 3.054 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000106349220 1411201440 /nfs/dbraw/zinc/20/14/40/1411201440.db2.gz CNDFDWGQOBZTEA-UHFFFAOYSA-N 1 0 383.464 3.097 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3ccncc3)ccc2C)CC1 ZINC000106349051 1411201547 /nfs/dbraw/zinc/20/15/47/1411201547.db2.gz IBUVAGYVQVILBK-UHFFFAOYSA-N 1 0 392.503 3.152 20 30 GGEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000176996976 1428546741 /nfs/dbraw/zinc/54/67/41/1428546741.db2.gz RNRMFJWCBQEUGG-OAQYLSRUSA-N 1 0 381.451 3.119 20 30 GGEDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(CC#N)cc3)cc2F)CC1 ZINC000106584863 1411257941 /nfs/dbraw/zinc/25/79/41/1411257941.db2.gz KLTYQJFCOCFQTP-UHFFFAOYSA-N 1 0 395.482 3.355 20 30 GGEDRO Cc1ccc(-n2nc(C(=O)N(CCC#N)CCC[NH+](C)C)c3c2CCC3)c(C)c1 ZINC000106752457 1411294922 /nfs/dbraw/zinc/29/49/22/1411294922.db2.gz NTEXGMHSFMOTQF-UHFFFAOYSA-N 1 0 393.535 3.285 20 30 GGEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000106946303 1411324982 /nfs/dbraw/zinc/32/49/82/1411324982.db2.gz DUTBVBYAODUDEE-QGZVFWFLSA-N 1 0 393.491 3.108 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2cc(C#N)ccc2F)C(C)C)cc1 ZINC000107307618 1411360119 /nfs/dbraw/zinc/36/01/19/1411360119.db2.gz VLXRVDZCNLNNOT-HXUWFJFHSA-N 1 0 399.466 3.306 20 30 GGEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000107376735 1411367495 /nfs/dbraw/zinc/36/74/95/1411367495.db2.gz YQDBTRPSQKRRGS-UHFFFAOYSA-N 1 0 381.480 3.336 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1 ZINC000107381979 1411368290 /nfs/dbraw/zinc/36/82/90/1411368290.db2.gz CZSPXCPQWYGWQE-UHFFFAOYSA-N 1 0 389.500 3.430 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)nc1 ZINC000107473826 1411380986 /nfs/dbraw/zinc/38/09/86/1411380986.db2.gz KBQBKYSRPGQEQH-UHFFFAOYSA-N 1 0 391.475 3.410 20 30 GGEDRO Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)ccc1N1CC[NH+](C)CC1 ZINC000107784479 1411410950 /nfs/dbraw/zinc/41/09/50/1411410950.db2.gz MFNSGYXQDKXMAR-UHFFFAOYSA-N 1 0 394.544 3.490 20 30 GGEDRO COc1cccc(C2CC(=O)C(=CNCCC[NH+]3CCC(C)CC3)C(=O)C2)c1 ZINC000108254554 1411460400 /nfs/dbraw/zinc/46/04/00/1411460400.db2.gz VDWXNDLDWQJEAE-UHFFFAOYSA-N 1 0 384.520 3.306 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108375355 1411483208 /nfs/dbraw/zinc/48/32/08/1411483208.db2.gz UAHFEHDPHFALLS-OAQYLSRUSA-N 1 0 385.487 3.135 20 30 GGEDRO N#Cc1cccc(CS(=O)(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000108399777 1411491905 /nfs/dbraw/zinc/49/19/05/1411491905.db2.gz YUYSEGUMOJHNOZ-UHFFFAOYSA-N 1 0 397.544 3.029 20 30 GGEDRO C#CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000108520560 1411528470 /nfs/dbraw/zinc/52/84/70/1411528470.db2.gz AXOYDLIZFZTXJT-UHFFFAOYSA-N 1 0 393.487 3.447 20 30 GGEDRO C#CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000108524668 1411529320 /nfs/dbraw/zinc/52/93/20/1411529320.db2.gz RDMIALODFWEYSP-UHFFFAOYSA-N 1 0 376.460 3.166 20 30 GGEDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccccc2SCCC#N)cc1 ZINC000108605291 1411549512 /nfs/dbraw/zinc/54/95/12/1411549512.db2.gz YLDPGQPYMYYWQR-UHFFFAOYSA-N 1 0 396.516 3.009 20 30 GGEDRO CC[NH+](CC)C1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000108869848 1411628778 /nfs/dbraw/zinc/62/87/78/1411628778.db2.gz KDXSNSKBCMRVGD-SFHVURJKSA-N 1 0 377.492 3.030 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000108931523 1411642999 /nfs/dbraw/zinc/64/29/99/1411642999.db2.gz NFRXFZGNKMDARX-FQEVSTJZSA-N 1 0 392.503 3.198 20 30 GGEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000109034381 1411667451 /nfs/dbraw/zinc/66/74/51/1411667451.db2.gz BHIRGQZOTLIUTM-HOTGVXAUSA-N 1 0 388.537 3.010 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000109034383 1411667760 /nfs/dbraw/zinc/66/77/60/1411667760.db2.gz BHIRGQZOTLIUTM-JKSUJKDBSA-N 1 0 388.537 3.010 20 30 GGEDRO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000109072822 1411677035 /nfs/dbraw/zinc/67/70/35/1411677035.db2.gz WQFVZJXELQRULM-FQEVSTJZSA-N 1 0 387.487 3.396 20 30 GGEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000177094586 1428586519 /nfs/dbraw/zinc/58/65/19/1428586519.db2.gz FMHPUQSKCJMOPS-OAQYLSRUSA-N 1 0 389.499 3.272 20 30 GGEDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000109159676 1411697622 /nfs/dbraw/zinc/69/76/22/1411697622.db2.gz OXLKYVZFELYJDK-UHFFFAOYSA-N 1 0 394.475 3.271 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C[N@@H+]1C1CC1 ZINC000177100047 1428587950 /nfs/dbraw/zinc/58/79/50/1428587950.db2.gz FXJOOQHVEJOPEA-OXQOHEQNSA-N 1 0 375.472 3.492 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C[N@@H+]1C1CC1 ZINC000177100034 1428588000 /nfs/dbraw/zinc/58/80/00/1428588000.db2.gz FXJOOQHVEJOPEA-JXFKEZNVSA-N 1 0 375.472 3.492 20 30 GGEDRO COC(=O)CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(C)C ZINC000109390011 1411753248 /nfs/dbraw/zinc/75/32/48/1411753248.db2.gz AGYSVJXQAJVXDE-UHFFFAOYSA-N 1 0 391.537 3.348 20 30 GGEDRO C[NH+](C)CCn1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000109537369 1411781200 /nfs/dbraw/zinc/78/12/00/1411781200.db2.gz AVZNUYJUCFGXLV-UHFFFAOYSA-N 1 0 389.459 3.148 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000109659449 1411801867 /nfs/dbraw/zinc/80/18/67/1411801867.db2.gz ZIYSIDUVCCGMJS-NRFANRHFSA-N 1 0 399.583 3.317 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000109659448 1411802000 /nfs/dbraw/zinc/80/20/00/1411802000.db2.gz ZIYSIDUVCCGMJS-OAQYLSRUSA-N 1 0 399.583 3.317 20 30 GGEDRO CCC[NH+]1CCC(N(C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000109788197 1411810286 /nfs/dbraw/zinc/81/02/86/1411810286.db2.gz DHTCSFWCAQMXGM-SFHVURJKSA-N 1 0 377.492 3.030 20 30 GGEDRO CC(C)(C)CN(CCC#N)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109813168 1411811812 /nfs/dbraw/zinc/81/18/12/1411811812.db2.gz ZPEFGDCBMTUTCX-UHFFFAOYSA-N 1 0 388.581 3.436 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]([NH+](C)C)C2)c1C#N ZINC000109810463 1411811856 /nfs/dbraw/zinc/81/18/56/1411811856.db2.gz ZAKWQRGNALBEMG-IBGZPJMESA-N 1 0 385.556 3.446 20 30 GGEDRO CCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000109873783 1411815856 /nfs/dbraw/zinc/81/58/56/1411815856.db2.gz KLQQEHDUANSKCN-FXAWDEMLSA-N 1 0 381.476 3.037 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000110032595 1411826457 /nfs/dbraw/zinc/82/64/57/1411826457.db2.gz CLZQWIBWHSPCOQ-IBGZPJMESA-N 1 0 396.878 3.278 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000110032592 1411826493 /nfs/dbraw/zinc/82/64/93/1411826493.db2.gz CLZQWIBWHSPCOQ-LJQANCHMSA-N 1 0 396.878 3.278 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[N@@H+]1C1CC1 ZINC000177138422 1428599975 /nfs/dbraw/zinc/59/99/75/1428599975.db2.gz MRPCVSNNBBDUDQ-JXFKEZNVSA-N 1 0 375.472 3.492 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(OCC#N)cc3)c(C)c2)CC1 ZINC000110173627 1411835400 /nfs/dbraw/zinc/83/54/00/1411835400.db2.gz VXPZGMXTQLEWBY-UHFFFAOYSA-N 1 0 392.503 3.221 20 30 GGEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110171890 1411835404 /nfs/dbraw/zinc/83/54/04/1411835404.db2.gz FHLHPOYAPCFWQM-UHFFFAOYSA-N 1 0 398.894 3.175 20 30 GGEDRO Cc1ccc(NC(=O)CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000110182436 1411835644 /nfs/dbraw/zinc/83/56/44/1411835644.db2.gz SQNZSRKBTMWIBP-UHFFFAOYSA-N 1 0 380.492 3.257 20 30 GGEDRO NC(=NOCC(=O)NCC1CCCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000110180114 1411835810 /nfs/dbraw/zinc/83/58/10/1411835810.db2.gz CUGYGUAAQQVBFV-UHFFFAOYSA-N 1 0 386.540 3.006 20 30 GGEDRO CC[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000110207805 1411837614 /nfs/dbraw/zinc/83/76/14/1411837614.db2.gz BKGYGSYSMRWOOB-OAQYLSRUSA-N 1 0 377.488 3.085 20 30 GGEDRO N#CCOc1ccc(CC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000110259679 1411840932 /nfs/dbraw/zinc/84/09/32/1411840932.db2.gz CHVNAJJCMZTMME-UHFFFAOYSA-N 1 0 395.528 3.361 20 30 GGEDRO CN1CCN(c2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2Cl)CC1 ZINC000110263865 1411841064 /nfs/dbraw/zinc/84/10/64/1411841064.db2.gz MIACQAAJMACGTC-UHFFFAOYSA-N 1 0 398.894 3.175 20 30 GGEDRO N#CCOc1ccc(CC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000110683163 1411863689 /nfs/dbraw/zinc/86/36/89/1411863689.db2.gz WMWNYPNIHMIMJU-UHFFFAOYSA-N 1 0 391.515 3.299 20 30 GGEDRO C[C@@H](CN1CCOCC1)[N@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000111054814 1411884705 /nfs/dbraw/zinc/88/47/05/1411884705.db2.gz RGZGXIFKYIHEIE-FQEVSTJZSA-N 1 0 379.504 3.160 20 30 GGEDRO C[C@@H](CN1CCOCC1)[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000111057461 1411884929 /nfs/dbraw/zinc/88/49/29/1411884929.db2.gz HUCWHQHNPIAKNR-FQEVSTJZSA-N 1 0 379.504 3.160 20 30 GGEDRO NC(=O)Nc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)cc1 ZINC000111163142 1411892548 /nfs/dbraw/zinc/89/25/48/1411892548.db2.gz OSTHRKYLFOZOFN-UHFFFAOYSA-O 1 0 397.524 3.326 20 30 GGEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1O ZINC000111235488 1411896953 /nfs/dbraw/zinc/89/69/53/1411896953.db2.gz XHGFJZBJWRELNR-UHFFFAOYSA-N 1 0 376.378 3.011 20 30 GGEDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000111253120 1411897867 /nfs/dbraw/zinc/89/78/67/1411897867.db2.gz LKLAMZIPSFMWHO-IRXDYDNUSA-N 1 0 386.540 3.334 20 30 GGEDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000111253119 1411898012 /nfs/dbraw/zinc/89/80/12/1411898012.db2.gz LKLAMZIPSFMWHO-SJORKVTESA-N 1 0 386.540 3.334 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000111261236 1411898117 /nfs/dbraw/zinc/89/81/17/1411898117.db2.gz OCJIBWMEZHQRCN-QFIPXVFZSA-N 1 0 380.488 3.227 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000111394170 1411940940 /nfs/dbraw/zinc/94/09/40/1411940940.db2.gz JZHAAWJGGGACCL-INIZCTEOSA-N 1 0 377.444 3.143 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000111408100 1411945802 /nfs/dbraw/zinc/94/58/02/1411945802.db2.gz XFFVEGNNWXMFPZ-QHCPKHFHSA-N 1 0 392.547 3.070 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[N@@H+]1C1CC1 ZINC000177172418 1428612802 /nfs/dbraw/zinc/61/28/02/1428612802.db2.gz WJUOLDXOTIDXLS-JXFKEZNVSA-N 1 0 375.472 3.492 20 30 GGEDRO C[C@@H]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000177174839 1428613670 /nfs/dbraw/zinc/61/36/70/1428613670.db2.gz ZCKDZPACSWTKBA-YLJYHZDGSA-N 1 0 394.544 3.321 20 30 GGEDRO C[C@H]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000177174856 1428613851 /nfs/dbraw/zinc/61/38/51/1428613851.db2.gz ZCKDZPACSWTKBA-FXAWDEMLSA-N 1 0 394.544 3.321 20 30 GGEDRO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000111735476 1412020794 /nfs/dbraw/zinc/02/07/94/1412020794.db2.gz KNFQLTPBTRLXRC-QHGAOEGBSA-N 1 0 384.524 3.279 20 30 GGEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000111825031 1412034381 /nfs/dbraw/zinc/03/43/81/1412034381.db2.gz ZCCDBFALZBZFHN-VQSBYGRUSA-N 1 0 382.508 3.032 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000111879721 1412042476 /nfs/dbraw/zinc/04/24/76/1412042476.db2.gz JWHDFLZLPMMSPR-OAQYLSRUSA-N 1 0 376.504 3.361 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000111911616 1412049789 /nfs/dbraw/zinc/04/97/89/1412049789.db2.gz PJGGCEIXFSTJTP-GOSISDBHSA-N 1 0 395.503 3.217 20 30 GGEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000111914590 1412052614 /nfs/dbraw/zinc/05/26/14/1412052614.db2.gz VGWPYECVMNHMJC-QGZVFWFLSA-N 1 0 398.551 3.443 20 30 GGEDRO CCOc1ccc(-n2c(C)cc(C(O)=CONC(=[NH2+])C3CCOCC3)c2C)cc1 ZINC000112087246 1412074237 /nfs/dbraw/zinc/07/42/37/1412074237.db2.gz SVGARWUFCXPMKE-UHFFFAOYSA-N 1 0 399.491 3.391 20 30 GGEDRO Cc1ccccc1-n1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000112170410 1412086647 /nfs/dbraw/zinc/08/66/47/1412086647.db2.gz NKTSEOFZJXFYTJ-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000112220363 1412096208 /nfs/dbraw/zinc/09/62/08/1412096208.db2.gz CYOHLLHFGDGFIK-UHFFFAOYSA-N 1 0 387.524 3.160 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN([C@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000112337911 1412133130 /nfs/dbraw/zinc/13/31/30/1412133130.db2.gz VCOCDYODHHXCPG-QFIPXVFZSA-N 1 0 392.478 3.011 20 30 GGEDRO C=CCNC(=O)c1ccc(NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)nc1 ZINC000112512886 1412160677 /nfs/dbraw/zinc/16/06/77/1412160677.db2.gz KWRXWIVPDAKWNN-HXUWFJFHSA-N 1 0 380.492 3.255 20 30 GGEDRO CCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000112523189 1412162213 /nfs/dbraw/zinc/16/22/13/1412162213.db2.gz DUJNYGPHZAUHMT-FYYLOGMGSA-N 1 0 384.568 3.417 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000112543923 1412165770 /nfs/dbraw/zinc/16/57/70/1412165770.db2.gz XEORFNWFJNKVDL-KRWDZBQOSA-N 1 0 386.496 3.266 20 30 GGEDRO C=CCNC(=O)c1ccc(NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)nc1 ZINC000112554156 1412167595 /nfs/dbraw/zinc/16/75/95/1412167595.db2.gz BOLFNBVKLKAJBQ-UHFFFAOYSA-N 1 0 394.519 3.330 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000112678026 1412190812 /nfs/dbraw/zinc/19/08/12/1412190812.db2.gz WWAFNQHCURYCNV-DLBZAZTESA-N 1 0 390.553 3.297 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)CC(C)C ZINC000112915455 1412237659 /nfs/dbraw/zinc/23/76/59/1412237659.db2.gz WSJZBYSQGZYVDY-IBGZPJMESA-N 1 0 398.555 3.023 20 30 GGEDRO COc1ccc([C@@H](CO)[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000112996854 1412253062 /nfs/dbraw/zinc/25/30/62/1412253062.db2.gz NCBOVCOGRSGYED-LJQANCHMSA-N 1 0 387.867 3.214 20 30 GGEDRO COc1ccc([C@@H](CO)[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000112997512 1412253732 /nfs/dbraw/zinc/25/37/32/1412253732.db2.gz IHVFGJVEMCZMDC-GOSISDBHSA-N 1 0 399.516 3.111 20 30 GGEDRO C[C@H]([N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1(C)CC1 ZINC000177221166 1428638397 /nfs/dbraw/zinc/63/83/97/1428638397.db2.gz QXWKZERFCKQAFX-IRXDYDNUSA-N 1 0 398.551 3.476 20 30 GGEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000113323812 1412292414 /nfs/dbraw/zinc/29/24/14/1412292414.db2.gz ARJNPVGWWIKAHM-KRWDZBQOSA-N 1 0 378.472 3.207 20 30 GGEDRO C#CCCOc1ccc(C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000113319292 1412292571 /nfs/dbraw/zinc/29/25/71/1412292571.db2.gz XSCHKCCGEWWKCE-UHFFFAOYSA-N 1 0 391.515 3.281 20 30 GGEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000113328389 1412293387 /nfs/dbraw/zinc/29/33/87/1412293387.db2.gz RGPXHKVKHZKDKJ-OALUTQOASA-N 1 0 392.499 3.238 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000113331678 1412294241 /nfs/dbraw/zinc/29/42/41/1412294241.db2.gz MEFZTJXYDYVREF-HSZRJFAPSA-N 1 0 376.500 3.412 20 30 GGEDRO Cn1cc(C[NH2+]Cc2cccc(OCC#N)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000113347316 1412294840 /nfs/dbraw/zinc/29/48/40/1412294840.db2.gz OXYUPHOTPBTWLP-UHFFFAOYSA-N 1 0 377.404 3.187 20 30 GGEDRO C=CCc1cc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)cc(OC)c1O ZINC000113341063 1412295515 /nfs/dbraw/zinc/29/55/15/1412295515.db2.gz FLTSWVDUVMCSBQ-UHFFFAOYSA-N 1 0 394.471 3.295 20 30 GGEDRO O=C(NCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C1N=CC=CC1=O ZINC000113360966 1412297892 /nfs/dbraw/zinc/29/78/92/1412297892.db2.gz MVDCPFMQEOLLMS-MRCUWXFGSA-N 1 0 399.397 3.373 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(OCC#N)c1)c1ccccc1 ZINC000113370170 1412299111 /nfs/dbraw/zinc/29/91/11/1412299111.db2.gz FZSMZTTVSKMIJT-NRFANRHFSA-N 1 0 380.492 3.471 20 30 GGEDRO N#CCOc1cccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000113380490 1412301257 /nfs/dbraw/zinc/30/12/57/1412301257.db2.gz UQNNYENDKUBYDE-HXUWFJFHSA-N 1 0 378.476 3.053 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000113391584 1412302807 /nfs/dbraw/zinc/30/28/07/1412302807.db2.gz UMOLJHNPHZVBSP-HXUWFJFHSA-N 1 0 384.524 3.433 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000113390209 1412303002 /nfs/dbraw/zinc/30/30/02/1412303002.db2.gz SHGVHCRUWGWYDB-CALCHBBNSA-N 1 0 394.560 3.066 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000113409200 1412304122 /nfs/dbraw/zinc/30/41/22/1412304122.db2.gz XZOXPIYLZVJBEC-NRFANRHFSA-N 1 0 378.476 3.225 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)NC2CC[NH+](C(C)C)CC2)ccc1OC ZINC000113579153 1412317776 /nfs/dbraw/zinc/31/77/76/1412317776.db2.gz GAQMYICGZJUNTL-GOSISDBHSA-N 1 0 388.512 3.048 20 30 GGEDRO C[C@@H]([NH2+]C1(CNC(=O)NCc2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000113590065 1412318746 /nfs/dbraw/zinc/31/87/46/1412318746.db2.gz UBIJMDOLKHHAEL-GOSISDBHSA-N 1 0 392.503 3.257 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC)ccc1OC ZINC000113620866 1412322437 /nfs/dbraw/zinc/32/24/37/1412322437.db2.gz RFJBDQNNLNNFSV-QZTJIDSGSA-N 1 0 388.512 3.050 20 30 GGEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cccc(OCC#N)c3)C2)CC1 ZINC000113629980 1412324040 /nfs/dbraw/zinc/32/40/40/1412324040.db2.gz XLZXIMPKTCWYLH-HXUWFJFHSA-N 1 0 384.524 3.242 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113901354 1412347673 /nfs/dbraw/zinc/34/76/73/1412347673.db2.gz DWHLQVGHMHDRTF-MJGOQNOKSA-N 1 0 385.508 3.059 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113900452 1412347703 /nfs/dbraw/zinc/34/77/03/1412347703.db2.gz BEDNMAXGFCJXTC-GHTZIAJQSA-N 1 0 399.583 3.459 20 30 GGEDRO N#Cc1cccc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1 ZINC000113949289 1412357811 /nfs/dbraw/zinc/35/78/11/1412357811.db2.gz PXYWENYAQFYBKD-KRWDZBQOSA-N 1 0 375.350 3.352 20 30 GGEDRO N#Cc1cccc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1 ZINC000113949287 1412357867 /nfs/dbraw/zinc/35/78/67/1412357867.db2.gz PXYWENYAQFYBKD-QGZVFWFLSA-N 1 0 375.350 3.352 20 30 GGEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000113966572 1412360204 /nfs/dbraw/zinc/36/02/04/1412360204.db2.gz KWKNHLTUZNFNDJ-NRFANRHFSA-N 1 0 392.503 3.225 20 30 GGEDRO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1 ZINC000113976756 1412362287 /nfs/dbraw/zinc/36/22/87/1412362287.db2.gz IJLXWWOOCSCJBX-LJQANCHMSA-N 1 0 392.503 3.243 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000114087237 1412379360 /nfs/dbraw/zinc/37/93/60/1412379360.db2.gz WGEYDNCLDGMTAO-UHFFFAOYSA-N 1 0 381.311 3.129 20 30 GGEDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000114142509 1412383450 /nfs/dbraw/zinc/38/34/50/1412383450.db2.gz GBCQDSQKFSCHLF-UHFFFAOYSA-N 1 0 390.531 3.229 20 30 GGEDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000114205169 1412393569 /nfs/dbraw/zinc/39/35/69/1412393569.db2.gz WLDKBKYSPAASGM-HXUWFJFHSA-N 1 0 394.560 3.200 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@H](C[NH+](C)C)C2)c1C#N ZINC000114477658 1412442163 /nfs/dbraw/zinc/44/21/63/1412442163.db2.gz XUIWPBHVDUCKII-GOSISDBHSA-N 1 0 385.556 3.304 20 30 GGEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCc2ccccc2C1 ZINC000114488842 1412443110 /nfs/dbraw/zinc/44/31/10/1412443110.db2.gz UJIJVVAOKMXIBS-NRFANRHFSA-N 1 0 385.471 3.172 20 30 GGEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000114680821 1412495674 /nfs/dbraw/zinc/49/56/74/1412495674.db2.gz YVMHWNLUYAXAKK-GOSISDBHSA-N 1 0 375.472 3.351 20 30 GGEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000114680341 1412496066 /nfs/dbraw/zinc/49/60/66/1412496066.db2.gz UGKHGFCNLGPXSE-UHFFFAOYSA-N 1 0 375.472 3.305 20 30 GGEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000114685475 1412497320 /nfs/dbraw/zinc/49/73/20/1412497320.db2.gz UYTVNWJCOOMOKW-OAQYLSRUSA-N 1 0 375.472 3.448 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(C#N)ccc1C ZINC000114734799 1412514242 /nfs/dbraw/zinc/51/42/42/1412514242.db2.gz KKCTZIFZLAGFAT-ICSRJNTNSA-N 1 0 381.501 3.172 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000114738584 1412514899 /nfs/dbraw/zinc/51/48/99/1412514899.db2.gz LEFDQTKXDHPRLT-QGZVFWFLSA-N 1 0 389.546 3.119 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000114747394 1412516949 /nfs/dbraw/zinc/51/69/49/1412516949.db2.gz PKUPKXAZDNYTQV-PMPSAXMXSA-N 1 0 379.460 3.246 20 30 GGEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cccc(OCC#N)c2)c1 ZINC000114968614 1412558361 /nfs/dbraw/zinc/55/83/61/1412558361.db2.gz ANXBAMGBBNPQBS-UHFFFAOYSA-N 1 0 380.492 3.171 20 30 GGEDRO C[NH+](C)CCn1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n1 ZINC000115048739 1412578148 /nfs/dbraw/zinc/57/81/48/1412578148.db2.gz QYZXOMLMXICBFB-UHFFFAOYSA-N 1 0 389.459 3.148 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000115271540 1412628916 /nfs/dbraw/zinc/62/89/16/1412628916.db2.gz DOCXQRZOUVRKLK-YLJYHZDGSA-N 1 0 389.565 3.045 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000177270697 1428664798 /nfs/dbraw/zinc/66/47/98/1428664798.db2.gz QAQOQHDARSCJAO-UHFFFAOYSA-N 1 0 388.899 3.063 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000115323734 1412647263 /nfs/dbraw/zinc/64/72/63/1412647263.db2.gz ZVIQIFBHSIVSTA-HSZRJFAPSA-N 1 0 389.499 3.297 20 30 GGEDRO N#Cc1cccc(OCc2cccc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c2)c1 ZINC000115341337 1412653115 /nfs/dbraw/zinc/65/31/15/1412653115.db2.gz FBKOYQNLCJNYAV-IBGZPJMESA-N 1 0 375.472 3.351 20 30 GGEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2)cc1 ZINC000115358549 1412659096 /nfs/dbraw/zinc/65/90/96/1412659096.db2.gz RZIRXJHGTOHXMP-OAQYLSRUSA-N 1 0 375.472 3.448 20 30 GGEDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000115512924 1412698472 /nfs/dbraw/zinc/69/84/72/1412698472.db2.gz OMULPKXATVQNSI-UWJYYQICSA-N 1 0 388.471 3.158 20 30 GGEDRO CC1CC[NH+](Cc2ccc(CN[C@H](C(N)=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000115596574 1412723691 /nfs/dbraw/zinc/72/36/91/1412723691.db2.gz FZUJZJHHDHHULV-QFIPXVFZSA-N 1 0 376.504 3.106 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C(N)=O)cc1 ZINC000115598162 1412725410 /nfs/dbraw/zinc/72/54/10/1412725410.db2.gz VOYLMLNNTIZILI-LJQANCHMSA-N 1 0 383.879 3.076 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C(N)=O)cc1 ZINC000115598012 1412725439 /nfs/dbraw/zinc/72/54/39/1412725439.db2.gz LXUKJXCSBXOBMC-IBGZPJMESA-N 1 0 383.879 3.076 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C(N)=O)cc1 ZINC000115599659 1412726435 /nfs/dbraw/zinc/72/64/35/1412726435.db2.gz SELNVHHOCXWORP-IBGZPJMESA-N 1 0 383.879 3.076 20 30 GGEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)C(N)=O)cc1 ZINC000115598204 1412727204 /nfs/dbraw/zinc/72/72/04/1412727204.db2.gz WGSOSCKFHXZIIX-NRFANRHFSA-N 1 0 391.471 3.305 20 30 GGEDRO N#Cc1ccc([C@@H](NCc2ccccc2C[NH+]2CCCCCC2)C(N)=O)cc1 ZINC000115600212 1412727375 /nfs/dbraw/zinc/72/73/75/1412727375.db2.gz YUULBOWRZFGFJL-JOCHJYFZSA-N 1 0 376.504 3.250 20 30 GGEDRO N#Cc1ccc(OCC[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000177291222 1428674242 /nfs/dbraw/zinc/67/42/42/1428674242.db2.gz KRSGIGCCWDWMRG-UHFFFAOYSA-N 1 0 377.488 3.104 20 30 GGEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000116064019 1412826898 /nfs/dbraw/zinc/82/68/98/1412826898.db2.gz GIKYBNHYYQACOZ-GOSISDBHSA-N 1 0 377.488 3.473 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116357874 1412852496 /nfs/dbraw/zinc/85/24/96/1412852496.db2.gz MHYDIILDIGRKFV-QGZVFWFLSA-N 1 0 383.517 3.371 20 30 GGEDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000116372422 1412853311 /nfs/dbraw/zinc/85/33/11/1412853311.db2.gz MMIODSPNBXFPJE-HNNXBMFYSA-N 1 0 391.459 3.222 20 30 GGEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000177311959 1428682403 /nfs/dbraw/zinc/68/24/03/1428682403.db2.gz FWMQOGGLQQOLST-CVEARBPZSA-N 1 0 386.565 3.386 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000116601334 1412885611 /nfs/dbraw/zinc/88/56/11/1412885611.db2.gz XHZAYGLTMMDIEC-UHFFFAOYSA-N 1 0 386.565 3.387 20 30 GGEDRO COCCOC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000116885033 1412949669 /nfs/dbraw/zinc/94/96/69/1412949669.db2.gz MPHJBKFGRFFZCI-IBGZPJMESA-N 1 0 387.524 3.066 20 30 GGEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177322591 1428689694 /nfs/dbraw/zinc/68/96/94/1428689694.db2.gz ANMBNMYNSVGOTQ-KSZLIROESA-N 1 0 386.565 3.435 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000117093674 1412998438 /nfs/dbraw/zinc/99/84/38/1412998438.db2.gz HLYLFXVVIXCDPV-HXUWFJFHSA-N 1 0 380.492 3.164 20 30 GGEDRO N#CCCn1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000117718300 1413071055 /nfs/dbraw/zinc/07/10/55/1413071055.db2.gz UMJSVOGCPDQMEM-GOSISDBHSA-N 1 0 391.397 3.190 20 30 GGEDRO N#CCSc1cccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000177352316 1428702432 /nfs/dbraw/zinc/70/24/32/1428702432.db2.gz VUUXMUNHNHFIDW-UHFFFAOYSA-N 1 0 395.528 3.189 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC(C[N@@H+](C)CCCC)CC2)c1 ZINC000118092962 1413106807 /nfs/dbraw/zinc/10/68/07/1413106807.db2.gz YTDRYDZHSPDEQV-UHFFFAOYSA-N 1 0 387.524 3.160 20 30 GGEDRO CC1CC[NH+]([C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000118093327 1413108094 /nfs/dbraw/zinc/10/80/94/1413108094.db2.gz OPJFPSDNUGMMCM-OAQYLSRUSA-N 1 0 390.487 3.086 20 30 GGEDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000118108909 1413111085 /nfs/dbraw/zinc/11/10/85/1413111085.db2.gz OTUBAHHOAOIBIX-SFHVURJKSA-N 1 0 398.894 3.002 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000118131293 1413114829 /nfs/dbraw/zinc/11/48/29/1413114829.db2.gz MRZRHWPHKCUTKF-HNNXBMFYSA-N 1 0 388.537 3.010 20 30 GGEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000118822836 1413234141 /nfs/dbraw/zinc/23/41/41/1413234141.db2.gz FZLMVUVUAZKYBA-QFIPXVFZSA-N 1 0 392.503 3.056 20 30 GGEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000118822838 1413234213 /nfs/dbraw/zinc/23/42/13/1413234213.db2.gz FZLMVUVUAZKYBA-JOCHJYFZSA-N 1 0 392.503 3.056 20 30 GGEDRO C[C@@]([NH2+]CCCOc1ccc(C#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177380331 1428711571 /nfs/dbraw/zinc/71/15/71/1428711571.db2.gz JJTVAOSWKIWION-IBGZPJMESA-N 1 0 391.393 3.336 20 30 GGEDRO N#Cc1c(NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)C2)sc2c1CCCCC2 ZINC000118829800 1413236263 /nfs/dbraw/zinc/23/62/63/1413236263.db2.gz NWOHHFSYAQROKC-MRXNPFEDSA-N 1 0 386.565 3.387 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CCC[C@H]([NH+]3CCCC3)C2)sc2c1CCCC2 ZINC000118829171 1413236701 /nfs/dbraw/zinc/23/67/01/1413236701.db2.gz BTDYFWKQNSGQFX-INIZCTEOSA-N 1 0 386.565 3.387 20 30 GGEDRO N#Cc1ccc(N2CC[C@@H](N3CCC[C@H](C[NH+]4CCCCCC4)C3)C2=O)cc1 ZINC000118834160 1413237579 /nfs/dbraw/zinc/23/75/79/1413237579.db2.gz PZEBKMCAXPLFBZ-IFMALSPDSA-N 1 0 380.536 3.252 20 30 GGEDRO CN(C(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)C1(C#N)CCCCC1 ZINC000118837628 1413240848 /nfs/dbraw/zinc/24/08/48/1413240848.db2.gz VZHAMLIRQFGCOR-UHFFFAOYSA-N 1 0 379.508 3.427 20 30 GGEDRO N#CCCn1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000118894301 1413262415 /nfs/dbraw/zinc/26/24/15/1413262415.db2.gz ZQIAXDVDCBKNJN-UHFFFAOYSA-N 1 0 386.887 3.236 20 30 GGEDRO [NH2+]=C(NCc1ccc(Br)cc1N1CCOCC1)Nc1ccccc1 ZINC000119068685 1413324092 /nfs/dbraw/zinc/32/40/92/1413324092.db2.gz TVLUUWDRBWUYEN-UHFFFAOYSA-N 1 0 389.297 3.213 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1cccc(OCC#N)c1 ZINC000119091815 1413332811 /nfs/dbraw/zinc/33/28/11/1413332811.db2.gz RXFVILPDSNFNCS-UNMCSNQZSA-N 1 0 375.472 3.274 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1cccc(OCC#N)c1 ZINC000119091941 1413333262 /nfs/dbraw/zinc/33/32/62/1413333262.db2.gz RXFVILPDSNFNCS-IRLDBZIGSA-N 1 0 375.472 3.274 20 30 GGEDRO Cc1cc(NC(=O)COc2ccc(C#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC000119149740 1413356360 /nfs/dbraw/zinc/35/63/60/1413356360.db2.gz FCWMQASPMIOTFN-UHFFFAOYSA-N 1 0 379.460 3.359 20 30 GGEDRO Cc1cc(NC(=O)CNc2ccc(C#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC000119174539 1413365368 /nfs/dbraw/zinc/36/53/68/1413365368.db2.gz DLSKGRPEFWLXDU-UHFFFAOYSA-N 1 0 378.476 3.392 20 30 GGEDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000177411034 1428724769 /nfs/dbraw/zinc/72/47/69/1428724769.db2.gz YONHBMWOYNAZDJ-ORAYPTAESA-N 1 0 385.851 3.290 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000119277133 1413397188 /nfs/dbraw/zinc/39/71/88/1413397188.db2.gz KPRPDJAHOPGHLQ-SJLPKXTDSA-N 1 0 379.545 3.227 20 30 GGEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000119312187 1413407816 /nfs/dbraw/zinc/40/78/16/1413407816.db2.gz DCCHWQDACDFBQJ-UHFFFAOYSA-N 1 0 386.858 3.107 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cc(C#N)cs3)CC2)c1 ZINC000177415708 1428726919 /nfs/dbraw/zinc/72/69/19/1428726919.db2.gz YGCWGWNFIGEIOT-UHFFFAOYSA-N 1 0 382.533 3.260 20 30 GGEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000119448167 1413450267 /nfs/dbraw/zinc/45/02/67/1413450267.db2.gz GWAHPIXBOIDPGC-IEBWSBKVSA-N 1 0 379.460 3.287 20 30 GGEDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000119458866 1413454529 /nfs/dbraw/zinc/45/45/29/1413454529.db2.gz PYFYFZYEYVTERM-MRXNPFEDSA-N 1 0 387.505 3.210 20 30 GGEDRO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000119474069 1413459917 /nfs/dbraw/zinc/45/99/17/1413459917.db2.gz SEMIAQWQJIAZHL-OAHLLOKOSA-N 1 0 390.505 3.100 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000119570679 1413489212 /nfs/dbraw/zinc/48/92/12/1413489212.db2.gz KLMOEYFHGGZPMF-QGZVFWFLSA-N 1 0 394.523 3.116 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCC2)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000119570821 1413489342 /nfs/dbraw/zinc/48/93/42/1413489342.db2.gz KLMOEYFHGGZPMF-KRWDZBQOSA-N 1 0 394.523 3.116 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)Cc1cccc(C#N)c1 ZINC000119609633 1413502863 /nfs/dbraw/zinc/50/28/63/1413502863.db2.gz SPWZJDSVSFGGON-FPOVZHCZSA-N 1 0 381.501 3.004 20 30 GGEDRO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000119657932 1413518585 /nfs/dbraw/zinc/51/85/85/1413518585.db2.gz FKBFBFAKGMXQQH-UHFFFAOYSA-N 1 0 393.896 3.090 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000119687343 1413531549 /nfs/dbraw/zinc/53/15/49/1413531549.db2.gz HJIKBXITFAEFMA-UHFFFAOYSA-N 1 0 391.563 3.338 20 30 GGEDRO CN(c1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1)C1CC[NH+](C)CC1 ZINC000119715388 1413542528 /nfs/dbraw/zinc/54/25/28/1413542528.db2.gz YJFPTAZRAHFVGS-UHFFFAOYSA-N 1 0 392.503 3.301 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1-n1cccn1 ZINC000119786539 1413568770 /nfs/dbraw/zinc/56/87/70/1413568770.db2.gz XSCSRDNKLFHPOA-UHFFFAOYSA-N 1 0 388.475 3.340 20 30 GGEDRO CC1(C)C[C@H]([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(C)(C)O1 ZINC000119821568 1413582003 /nfs/dbraw/zinc/58/20/03/1413582003.db2.gz DLZPCWBADITKBQ-INIZCTEOSA-N 1 0 382.426 3.109 20 30 GGEDRO C#CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000119867334 1413598438 /nfs/dbraw/zinc/59/84/38/1413598438.db2.gz RPENVTWUUFYCPQ-OAQYLSRUSA-N 1 0 377.488 3.220 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1Cl ZINC000177451038 1428742441 /nfs/dbraw/zinc/74/24/41/1428742441.db2.gz MWCIYEGBANAPAB-GOSISDBHSA-N 1 0 391.899 3.200 20 30 GGEDRO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000119984147 1413642393 /nfs/dbraw/zinc/64/23/93/1413642393.db2.gz YGWPUMLWXKUCNP-UHFFFAOYSA-N 1 0 397.544 3.410 20 30 GGEDRO COc1ccc(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1OCCCC#N ZINC000119992415 1413645501 /nfs/dbraw/zinc/64/55/01/1413645501.db2.gz URTPYPMFKNWSNW-QZTJIDSGSA-N 1 0 389.540 3.355 20 30 GGEDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n1 ZINC000120010289 1413652175 /nfs/dbraw/zinc/65/21/75/1413652175.db2.gz MUDOJMZUTNUGBF-UHFFFAOYSA-N 1 0 389.459 3.148 20 30 GGEDRO N#CCOc1cccc(CC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000120021649 1413656347 /nfs/dbraw/zinc/65/63/47/1413656347.db2.gz NXBMKKMRZCWELS-UHFFFAOYSA-N 1 0 395.528 3.361 20 30 GGEDRO O=C1CC[C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]2N1C1CC1 ZINC000120050507 1413668382 /nfs/dbraw/zinc/66/83/82/1413668382.db2.gz YARAJPOACPPMPE-VQIMIIECSA-N 1 0 392.421 3.412 20 30 GGEDRO O=C1CC[C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]2N1C1CC1 ZINC000120050706 1413668699 /nfs/dbraw/zinc/66/86/99/1413668699.db2.gz YARAJPOACPPMPE-APWZRJJASA-N 1 0 392.421 3.412 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000120093038 1413684283 /nfs/dbraw/zinc/68/42/83/1413684283.db2.gz URNQQBHRMNXPLF-HRAATJIYSA-N 1 0 378.476 3.039 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C#N)s2)C(C)C)cc1 ZINC000120110560 1413692078 /nfs/dbraw/zinc/69/20/78/1413692078.db2.gz YOIOOKBVOSBUBF-QGZVFWFLSA-N 1 0 387.505 3.228 20 30 GGEDRO Cc1cc(C)n(-c2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2F)n1 ZINC000120138416 1413702726 /nfs/dbraw/zinc/70/27/26/1413702726.db2.gz FDNVXPWJTLYOOH-UHFFFAOYSA-N 1 0 386.475 3.328 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000120139133 1413703449 /nfs/dbraw/zinc/70/34/49/1413703449.db2.gz JGCRZQMDDHIEBD-AEFFLSMTSA-N 1 0 386.496 3.170 20 30 GGEDRO CCC[N@H+](CC(=O)NC)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000120153212 1413709085 /nfs/dbraw/zinc/70/90/85/1413709085.db2.gz YKHXGGGHKNBCHV-UHFFFAOYSA-N 1 0 381.476 3.104 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](CC)Oc2ccccc2C(F)(F)F)CC1 ZINC000177464415 1428748984 /nfs/dbraw/zinc/74/89/84/1428748984.db2.gz IQDHVMBHUYNAKS-INIZCTEOSA-N 1 0 382.426 3.324 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2cc(Cl)cn2C)c(OC)c1 ZINC000120245812 1413749408 /nfs/dbraw/zinc/74/94/08/1413749408.db2.gz MOSUNXYQJKZVSD-GOSISDBHSA-N 1 0 378.900 3.287 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000120299136 1413773604 /nfs/dbraw/zinc/77/36/04/1413773604.db2.gz OEFPBTNZQATSAA-UHFFFAOYSA-N 1 0 387.509 3.421 20 30 GGEDRO C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)CN1CCOCC1 ZINC000120301871 1413774697 /nfs/dbraw/zinc/77/46/97/1413774697.db2.gz OFWUPQNZTYZWJJ-LJQANCHMSA-N 1 0 379.504 3.195 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000120367570 1413803340 /nfs/dbraw/zinc/80/33/40/1413803340.db2.gz CLJOMOXAYPFJNO-UHFFFAOYSA-N 1 0 384.509 3.327 20 30 GGEDRO CN(C)c1ccc(C(N)=[NH+]OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000120381980 1413806214 /nfs/dbraw/zinc/80/62/14/1413806214.db2.gz ZEIFFGKTUQTOIL-UHFFFAOYSA-N 1 0 380.370 3.047 20 30 GGEDRO C[C@H](c1cccnc1)N1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000120421698 1413813864 /nfs/dbraw/zinc/81/38/64/1413813864.db2.gz JEQLDVMWULDDEK-QGZVFWFLSA-N 1 0 395.532 3.015 20 30 GGEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000120475921 1413826333 /nfs/dbraw/zinc/82/63/33/1413826333.db2.gz CLBHTAPWBFZOCP-GOSISDBHSA-N 1 0 377.488 3.473 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000120533983 1413837831 /nfs/dbraw/zinc/83/78/31/1413837831.db2.gz CBZWBGNKLVZQCX-IBGZPJMESA-N 1 0 385.508 3.057 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1OC ZINC000120593195 1413850771 /nfs/dbraw/zinc/85/07/71/1413850771.db2.gz LKSHDOUDMGDKQJ-NVXWUHKLSA-N 1 0 390.528 3.152 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000120650883 1413865648 /nfs/dbraw/zinc/86/56/48/1413865648.db2.gz YIUFISJDAQHJFL-UHFFFAOYSA-N 1 0 399.470 3.499 20 30 GGEDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000120669138 1413870312 /nfs/dbraw/zinc/87/03/12/1413870312.db2.gz XIJYTFDPISSGJK-UHFFFAOYSA-N 1 0 394.475 3.165 20 30 GGEDRO CCc1noc(-c2ccc(C)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c2)n1 ZINC000120671903 1413871401 /nfs/dbraw/zinc/87/14/01/1413871401.db2.gz OWCULIMQXNCZDG-UHFFFAOYSA-N 1 0 384.484 3.307 20 30 GGEDRO Cc1ccnc(Oc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)n1 ZINC000120695692 1413877072 /nfs/dbraw/zinc/87/70/72/1413877072.db2.gz VLQXBIBIPOBCLF-UHFFFAOYSA-N 1 0 382.468 3.277 20 30 GGEDRO CO/N=C/c1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000120728766 1413886626 /nfs/dbraw/zinc/88/66/26/1413886626.db2.gz BGNLHKYCLMDTEK-OEAKJJBVSA-N 1 0 381.476 3.124 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000120743213 1413890567 /nfs/dbraw/zinc/89/05/67/1413890567.db2.gz FPGFJGIYBFGCBU-MSOLQXFVSA-N 1 0 376.888 3.101 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2CCS(=O)(=O)CC2)c1 ZINC000120815352 1413912281 /nfs/dbraw/zinc/91/22/81/1413912281.db2.gz IWBRHNSOZIFAPD-UHFFFAOYSA-N 1 0 384.501 3.052 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000120851457 1413926606 /nfs/dbraw/zinc/92/66/06/1413926606.db2.gz PADOIZIZPGGXGI-RXVVDRJESA-N 1 0 377.488 3.301 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000121031148 1413982751 /nfs/dbraw/zinc/98/27/51/1413982751.db2.gz ODKYHTKDOKCHDN-FQEVSTJZSA-N 1 0 392.455 3.493 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N ZINC000121082669 1414000796 /nfs/dbraw/zinc/00/07/96/1414000796.db2.gz UWNMVQCRMGIEOA-QGZVFWFLSA-N 1 0 395.551 3.301 20 30 GGEDRO CCc1nnc(NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)c(C#N)c1CC ZINC000121097184 1414006591 /nfs/dbraw/zinc/00/65/91/1414006591.db2.gz ZQMUMBUMIGEDPA-GOSISDBHSA-N 1 0 383.496 3.205 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1 ZINC000121107985 1414010455 /nfs/dbraw/zinc/01/04/55/1414010455.db2.gz MZQRWRZJVIIUMC-UHFFFAOYSA-N 1 0 393.487 3.465 20 30 GGEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000121117229 1414013500 /nfs/dbraw/zinc/01/35/00/1414013500.db2.gz DPQATCUPRRBHIJ-UHFFFAOYSA-N 1 0 377.488 3.404 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@@H]2CCSC2)c1C#N ZINC000121144888 1414023324 /nfs/dbraw/zinc/02/33/24/1414023324.db2.gz ITKWAIBEAGHAJH-MRXNPFEDSA-N 1 0 386.521 3.384 20 30 GGEDRO CN(C)[C@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000121150163 1414025220 /nfs/dbraw/zinc/02/52/20/1414025220.db2.gz BGUSUFCFBJAWPE-GRERDSQWSA-N 1 0 378.476 3.062 20 30 GGEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)CCCCC1 ZINC000121168989 1414031220 /nfs/dbraw/zinc/03/12/20/1414031220.db2.gz CMZQCTXGGPFSEG-UHFFFAOYSA-N 1 0 390.915 3.311 20 30 GGEDRO CC(C)[N@H+]1C[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000121169631 1414031835 /nfs/dbraw/zinc/03/18/35/1414031835.db2.gz AYSQVGVSLQZPJB-ACAXCVFMSA-N 1 0 384.524 3.276 20 30 GGEDRO COC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000121223928 1414049184 /nfs/dbraw/zinc/04/91/84/1414049184.db2.gz UNUXDSFHJPMHMI-UHFFFAOYSA-N 1 0 398.438 3.080 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)CC1 ZINC000121247972 1414058185 /nfs/dbraw/zinc/05/81/85/1414058185.db2.gz RQVBCKJEXBUFJG-KRWDZBQOSA-N 1 0 376.570 3.177 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000121315855 1414080722 /nfs/dbraw/zinc/08/07/22/1414080722.db2.gz XQLRAIPBJFCXDR-RTBURBONSA-N 1 0 385.508 3.207 20 30 GGEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000121320647 1414082650 /nfs/dbraw/zinc/08/26/50/1414082650.db2.gz YSOPDJBLRIMJOJ-MRXNPFEDSA-N 1 0 384.867 3.466 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000121383300 1414102549 /nfs/dbraw/zinc/10/25/49/1414102549.db2.gz CCTATDDINSZIII-GOSISDBHSA-N 1 0 385.508 3.207 20 30 GGEDRO C[C@]1(c2ccccc2)CN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000121396358 1414106840 /nfs/dbraw/zinc/10/68/40/1414106840.db2.gz AANJDXDQUAVOAM-NTKDMRAZSA-N 1 0 398.466 3.471 20 30 GGEDRO C[C@@]1(c2ccccc2)CN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000121396484 1414107100 /nfs/dbraw/zinc/10/71/00/1414107100.db2.gz AANJDXDQUAVOAM-DVECYGJZSA-N 1 0 398.466 3.471 20 30 GGEDRO C=C[C@H](CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)c1ccccc1 ZINC000121488140 1414146293 /nfs/dbraw/zinc/14/62/93/1414146293.db2.gz PHYDVLSEHQLEJB-MRXNPFEDSA-N 1 0 379.460 3.455 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1occc1CN1C(=O)Cc2ccccc21 ZINC000121487819 1414146515 /nfs/dbraw/zinc/14/65/15/1414146515.db2.gz YNTWOHJBGXBFHJ-KRWDZBQOSA-N 1 0 394.471 3.259 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000121550383 1414173503 /nfs/dbraw/zinc/17/35/03/1414173503.db2.gz NDFYJXKYWOYRLI-HNNXBMFYSA-N 1 0 384.432 3.003 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)CC1 ZINC000177551641 1428790706 /nfs/dbraw/zinc/79/07/06/1428790706.db2.gz ZUSNOHBGBRYUFR-UHFFFAOYSA-N 1 0 378.398 3.271 20 30 GGEDRO CC(C)c1csc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000121805798 1414262811 /nfs/dbraw/zinc/26/28/11/1414262811.db2.gz QIAISPXERAWXCO-UHFFFAOYSA-N 1 0 385.537 3.412 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000121815588 1414266295 /nfs/dbraw/zinc/26/62/95/1414266295.db2.gz DMAHBOODWFSFLR-UHFFFAOYSA-N 1 0 399.466 3.243 20 30 GGEDRO CCCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccc(C)cc1 ZINC000121829249 1414271312 /nfs/dbraw/zinc/27/13/12/1414271312.db2.gz GEGBNNVRBDQPDT-UHFFFAOYSA-O 1 0 382.509 3.106 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000121871625 1414285456 /nfs/dbraw/zinc/28/54/56/1414285456.db2.gz JMYQFVOECPHLRC-LJQANCHMSA-N 1 0 390.487 3.248 20 30 GGEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000121914438 1414305120 /nfs/dbraw/zinc/30/51/20/1414305120.db2.gz JKGIXHBHATUIDQ-NRFANRHFSA-N 1 0 383.467 3.479 20 30 GGEDRO CCN(CCC#N)C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000122014645 1414340586 /nfs/dbraw/zinc/34/05/86/1414340586.db2.gz YWLDJRLHXGHTCL-UHFFFAOYSA-N 1 0 393.919 3.179 20 30 GGEDRO C=CC[C@@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000122014435 1414340753 /nfs/dbraw/zinc/34/07/53/1414340753.db2.gz MMZDMOMKSLIXMT-CQSZACIVSA-N 1 0 380.920 3.498 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N3CCC(C)CC3)c2)CC1 ZINC000122017709 1414341082 /nfs/dbraw/zinc/34/10/82/1414341082.db2.gz KXWLZPXZCMLRPY-UHFFFAOYSA-N 1 0 398.551 3.018 20 30 GGEDRO CCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc(N(C)C)cc1 ZINC000122079192 1414357182 /nfs/dbraw/zinc/35/71/82/1414357182.db2.gz OMCYEJJUDMGNKN-UHFFFAOYSA-O 1 0 380.896 3.381 20 30 GGEDRO CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000122104537 1414363690 /nfs/dbraw/zinc/36/36/90/1414363690.db2.gz BWISYNFCMCPEBM-UHFFFAOYSA-N 1 0 392.931 3.097 20 30 GGEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3cccc(OCC#N)c3)c2)CC1 ZINC000122294768 1414415595 /nfs/dbraw/zinc/41/55/95/1414415595.db2.gz AZYMZTKNEQJXSN-UHFFFAOYSA-N 1 0 392.503 3.301 20 30 GGEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)COc3ccccc3C#N)c2)CC1 ZINC000122385253 1414441943 /nfs/dbraw/zinc/44/19/43/1414441943.db2.gz RNTALPXQLSTLEE-UHFFFAOYSA-N 1 0 378.476 3.106 20 30 GGEDRO N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000122493802 1414481224 /nfs/dbraw/zinc/48/12/24/1414481224.db2.gz WNAHDAPDZRJFFC-RTWAWAEBSA-N 1 0 395.528 3.233 20 30 GGEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3ccc(OCC#N)cc3)c2)CC1 ZINC000122595076 1414511688 /nfs/dbraw/zinc/51/16/88/1414511688.db2.gz UBRPHPBFHVPJDA-UHFFFAOYSA-N 1 0 392.503 3.301 20 30 GGEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000122601089 1414512993 /nfs/dbraw/zinc/51/29/93/1414512993.db2.gz ZETLWMBGXKTPHH-HNNXBMFYSA-N 1 0 389.443 3.072 20 30 GGEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000122646388 1414527921 /nfs/dbraw/zinc/52/79/21/1414527921.db2.gz AAGMVEWIMGSXRF-RTWAWAEBSA-N 1 0 378.476 3.268 20 30 GGEDRO Cn1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(-c2cccnc2)n1 ZINC000122812092 1414570679 /nfs/dbraw/zinc/57/06/79/1414570679.db2.gz FORPFCIEJGDNCK-UHFFFAOYSA-N 1 0 386.503 3.062 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000122816922 1414572315 /nfs/dbraw/zinc/57/23/15/1414572315.db2.gz ZGZFAEGRWPPACP-UHFFFAOYSA-N 1 0 390.531 3.103 20 30 GGEDRO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC000122827556 1414575158 /nfs/dbraw/zinc/57/51/58/1414575158.db2.gz OTJOHJJLRJNXOV-YOEHRIQHSA-N 1 0 377.460 3.201 20 30 GGEDRO COCCOc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122836330 1414577174 /nfs/dbraw/zinc/57/71/74/1414577174.db2.gz ASSLKGYGWGAQFV-UHFFFAOYSA-N 1 0 379.504 3.291 20 30 GGEDRO N#CC1(NC(=O)C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)CCCCC1 ZINC000123108003 1414643631 /nfs/dbraw/zinc/64/36/31/1414643631.db2.gz KKCQZAHXGLIFKB-UHFFFAOYSA-N 1 0 383.492 3.159 20 30 GGEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CNc3ccc(C#N)cc3)c2)CC1 ZINC000123166162 1414658668 /nfs/dbraw/zinc/65/86/68/1414658668.db2.gz QTXMKBNHYOPKSJ-UHFFFAOYSA-N 1 0 377.492 3.139 20 30 GGEDRO COc1ccc(NC(=[NH2+])N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000123172958 1414659870 /nfs/dbraw/zinc/65/98/70/1414659870.db2.gz BKSPVYPYLZOCBF-CYBMUJFWSA-N 1 0 395.912 3.246 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123197396 1414665839 /nfs/dbraw/zinc/66/58/39/1414665839.db2.gz OFSYQRFOEJDNRE-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(C2CC2)cs1 ZINC000123354877 1414704823 /nfs/dbraw/zinc/70/48/23/1414704823.db2.gz SKSKWZJSEVHNTB-UHFFFAOYSA-N 1 0 383.521 3.166 20 30 GGEDRO N#Cc1cccc(OCCC[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000123356124 1414705167 /nfs/dbraw/zinc/70/51/67/1414705167.db2.gz LANWVPIRYMMUGC-UHFFFAOYSA-N 1 0 395.478 3.495 20 30 GGEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1c(C)noc1C ZINC000123404322 1414719737 /nfs/dbraw/zinc/71/97/37/1414719737.db2.gz PJLITSFLQLQMOI-LJQANCHMSA-N 1 0 383.496 3.388 20 30 GGEDRO CCCC[N@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000123427850 1414727190 /nfs/dbraw/zinc/72/71/90/1414727190.db2.gz BICMYBSNQDUMTL-UHFFFAOYSA-N 1 0 382.508 3.058 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000123447387 1414734847 /nfs/dbraw/zinc/73/48/47/1414734847.db2.gz FOZSOLBBCSUBRE-ZACQAIPSSA-N 1 0 384.524 3.229 20 30 GGEDRO CC(C)C(=O)N1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000123531181 1414764252 /nfs/dbraw/zinc/76/42/52/1414764252.db2.gz YLDAICJXYJJUJN-UHFFFAOYSA-N 1 0 379.508 3.154 20 30 GGEDRO CNC(=O)c1cccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000123602783 1414790970 /nfs/dbraw/zinc/79/09/70/1414790970.db2.gz SRRMMDYRFDSBOQ-UHFFFAOYSA-N 1 0 387.487 3.156 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000123740090 1414818551 /nfs/dbraw/zinc/81/85/51/1414818551.db2.gz XIIJUXAQBNDLOM-WIYYLYMNSA-N 1 0 392.503 3.234 20 30 GGEDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000123883197 1414842470 /nfs/dbraw/zinc/84/24/70/1414842470.db2.gz WUCPBGSHJZGDHP-RTBURBONSA-N 1 0 395.551 3.441 20 30 GGEDRO N#Cc1cccc(OCCC[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000123924193 1414850594 /nfs/dbraw/zinc/85/05/94/1414850594.db2.gz BXJHAHKFURMXGN-UHFFFAOYSA-N 1 0 384.524 3.423 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1Cl ZINC000123999253 1414866196 /nfs/dbraw/zinc/86/61/96/1414866196.db2.gz AFABUWRAKFDUCC-LJQANCHMSA-N 1 0 396.878 3.103 20 30 GGEDRO C[NH+](C)CCC1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000124139635 1414893320 /nfs/dbraw/zinc/89/33/20/1414893320.db2.gz ZKIXMMGCTUTPQH-UHFFFAOYSA-N 1 0 376.932 3.250 20 30 GGEDRO Cc1nc(SCC(=O)NCc2ccc(C[NH+](C)C)cc2)c(C#N)c(C)c1C ZINC000124240939 1414917615 /nfs/dbraw/zinc/91/76/15/1414917615.db2.gz VFMIMFDTVDTSIT-UHFFFAOYSA-N 1 0 382.533 3.349 20 30 GGEDRO Cc1nc(SCC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C#N)c(C)c1C ZINC000124335204 1414941978 /nfs/dbraw/zinc/94/19/78/1414941978.db2.gz FFQHTWKJOWSNFA-SFHVURJKSA-N 1 0 388.581 3.455 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(ccn3CCC)c2)CC1 ZINC000124540955 1414990466 /nfs/dbraw/zinc/99/04/66/1414990466.db2.gz BQGGMPQTRNTSIH-UHFFFAOYSA-N 1 0 382.508 3.147 20 30 GGEDRO C#CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000124582856 1414999042 /nfs/dbraw/zinc/99/90/42/1414999042.db2.gz KNXCLDPJJATGNN-GOTSBHOMSA-N 1 0 397.563 3.108 20 30 GGEDRO C[NH+](C)CCn1c2cc(NCc3cccc(OCCCC#N)c3)ccc2oc1=O ZINC000124674429 1415018883 /nfs/dbraw/zinc/01/88/83/1415018883.db2.gz ZYAQUAJGGVLSSY-UHFFFAOYSA-N 1 0 394.475 3.451 20 30 GGEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000177777668 1428856443 /nfs/dbraw/zinc/85/64/43/1428856443.db2.gz YTMGNEQIEFMUNX-MSOLQXFVSA-N 1 0 379.460 3.429 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)Cc2cccc(OCC#N)c2)[NH+]2CCCC2)cc1 ZINC000124733430 1415031781 /nfs/dbraw/zinc/03/17/81/1415031781.db2.gz PXANFXGGOOEDLB-JOCHJYFZSA-N 1 0 377.488 3.393 20 30 GGEDRO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124808166 1415049118 /nfs/dbraw/zinc/04/91/18/1415049118.db2.gz QFEHLWHHPRREAL-VAMGGRTRSA-N 1 0 382.552 3.244 20 30 GGEDRO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124807714 1415049365 /nfs/dbraw/zinc/04/93/65/1415049365.db2.gz QFEHLWHHPRREAL-HSALFYBXSA-N 1 0 382.552 3.244 20 30 GGEDRO C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000125111423 1415111225 /nfs/dbraw/zinc/11/12/25/1415111225.db2.gz ABVKFNARDIEPQI-OAHLLOKOSA-N 1 0 384.915 3.162 20 30 GGEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000125288264 1415152857 /nfs/dbraw/zinc/15/28/57/1415152857.db2.gz KGFJBJZOPHSPAP-UHFFFAOYSA-N 1 0 383.467 3.111 20 30 GGEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000125416941 1415192353 /nfs/dbraw/zinc/19/23/53/1415192353.db2.gz OHZUOBUOYZAFEC-HUUCEWRRSA-N 1 0 375.900 3.173 20 30 GGEDRO Cn1c(Cl)nc(Cl)c1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000125422453 1415193585 /nfs/dbraw/zinc/19/35/85/1415193585.db2.gz FYBOZMBLDITMJQ-UHFFFAOYSA-N 1 0 380.279 3.473 20 30 GGEDRO Cc1nn(C)c2ncc(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)cc12 ZINC000125421757 1415193640 /nfs/dbraw/zinc/19/36/40/1415193640.db2.gz LEBNXKHOGSVSFD-UHFFFAOYSA-N 1 0 376.464 3.023 20 30 GGEDRO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125487667 1415212868 /nfs/dbraw/zinc/21/28/68/1415212868.db2.gz VVKYNRPWFMMJHT-LSDHHAIUSA-N 1 0 382.512 3.269 20 30 GGEDRO COCCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000125583402 1415231367 /nfs/dbraw/zinc/23/13/67/1415231367.db2.gz ZOZODKODSRJVOG-UHFFFAOYSA-N 1 0 396.491 3.179 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2-c2ccccc2C#N)c1C#N ZINC000125608886 1415237533 /nfs/dbraw/zinc/23/75/33/1415237533.db2.gz JDMQGBDNFVRMRM-UHFFFAOYSA-N 1 0 384.443 3.224 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)CC1 ZINC000125614403 1415238089 /nfs/dbraw/zinc/23/80/89/1415238089.db2.gz FXCUZLWUMNHEGX-FQEVSTJZSA-N 1 0 387.524 3.002 20 30 GGEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000125653596 1415246872 /nfs/dbraw/zinc/24/68/72/1415246872.db2.gz LPEIZCMJAMJMGO-NRFANRHFSA-N 1 0 379.460 3.185 20 30 GGEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]1C ZINC000177887755 1428883687 /nfs/dbraw/zinc/88/36/87/1428883687.db2.gz FUOUHHZYVNDXNX-ZACQAIPSSA-N 1 0 384.524 3.086 20 30 GGEDRO CN(C(=O)Nc1ccc(F)cc1C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177899355 1428886955 /nfs/dbraw/zinc/88/69/55/1428886955.db2.gz SWXWUPNOTXPFSB-UHFFFAOYSA-N 1 0 381.455 3.263 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(F)cc1C#N ZINC000177906598 1428888170 /nfs/dbraw/zinc/88/81/70/1428888170.db2.gz KDMAHGWNSOEQGY-UHFFFAOYSA-N 1 0 397.454 3.492 20 30 GGEDRO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000125799799 1415284560 /nfs/dbraw/zinc/28/45/60/1415284560.db2.gz MSPTXVORBLLBSD-GOSISDBHSA-N 1 0 388.515 3.135 20 30 GGEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000125827213 1415291296 /nfs/dbraw/zinc/29/12/96/1415291296.db2.gz JOVWZYGPCMMKKA-BEFAXECRSA-N 1 0 387.480 3.029 20 30 GGEDRO N#Cc1cccc(OCCC[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000125955764 1415321791 /nfs/dbraw/zinc/32/17/91/1415321791.db2.gz PPTUINSXCDURTI-IBGZPJMESA-N 1 0 382.439 3.362 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000177968938 1428906929 /nfs/dbraw/zinc/90/69/29/1428906929.db2.gz CUHQWWFMEPTQQC-OAHLLOKOSA-N 1 0 377.893 3.477 20 30 GGEDRO CN(CCC#N)C(=O)CCN[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126114891 1415361324 /nfs/dbraw/zinc/36/13/24/1415361324.db2.gz YMFIUFWIMPKWGI-OAQYLSRUSA-N 1 0 375.476 3.014 20 30 GGEDRO CN(CCC#N)C(=O)CCN[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126115092 1415361352 /nfs/dbraw/zinc/36/13/52/1415361352.db2.gz YMFIUFWIMPKWGI-NRFANRHFSA-N 1 0 375.476 3.014 20 30 GGEDRO C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000126131716 1415366382 /nfs/dbraw/zinc/36/63/82/1415366382.db2.gz LBXFEYVJZVIVKU-YLZJTPGZSA-N 1 0 383.517 3.211 20 30 GGEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1 ZINC000126176752 1415378120 /nfs/dbraw/zinc/37/81/20/1415378120.db2.gz AMXNQHHIDGEWJC-MHIUNMELSA-N 1 0 389.499 3.309 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](CC2CC2)CC1 ZINC000126204562 1415383813 /nfs/dbraw/zinc/38/38/13/1415383813.db2.gz LBMMVCUHKARWRG-OAHLLOKOSA-N 1 0 386.565 3.243 20 30 GGEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000126210827 1415385234 /nfs/dbraw/zinc/38/52/34/1415385234.db2.gz MVMCQQKVXRKYBJ-OOMBGRCJSA-N 1 0 379.479 3.413 20 30 GGEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)C1 ZINC000126210579 1415385299 /nfs/dbraw/zinc/38/52/99/1415385299.db2.gz MVMCQQKVXRKYBJ-KOENEWCDSA-N 1 0 379.479 3.413 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000126230924 1415389080 /nfs/dbraw/zinc/38/90/80/1415389080.db2.gz JXRWKWFDUXLREN-IBGZPJMESA-N 1 0 377.488 3.254 20 30 GGEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2sccc2C#N)CC1 ZINC000126439003 1415453520 /nfs/dbraw/zinc/45/35/20/1415453520.db2.gz TVOGNLZZTRINOA-CQSZACIVSA-N 1 0 386.496 3.392 20 30 GGEDRO Cc1nc(SCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C#N)c(C)c1C ZINC000126645427 1415516206 /nfs/dbraw/zinc/51/62/06/1415516206.db2.gz SVGLNOZZXCSMRI-PXNSSMCTSA-N 1 0 398.576 3.446 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000126750978 1415547608 /nfs/dbraw/zinc/54/76/08/1415547608.db2.gz HDONTAKCYMVAPU-KRWDZBQOSA-N 1 0 375.538 3.223 20 30 GGEDRO N#Cc1ccc(OCCC[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000178031066 1428945567 /nfs/dbraw/zinc/94/55/67/1428945567.db2.gz FXYSCUXUSMQHRD-UHFFFAOYSA-N 1 0 395.478 3.243 20 30 GGEDRO CN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000126808133 1415565904 /nfs/dbraw/zinc/56/59/04/1415565904.db2.gz BWIIAOWJZXXVNB-NRFANRHFSA-N 1 0 377.488 3.254 20 30 GGEDRO CN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000126807883 1415565937 /nfs/dbraw/zinc/56/59/37/1415565937.db2.gz BWIIAOWJZXXVNB-OAQYLSRUSA-N 1 0 377.488 3.254 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)CC1 ZINC000126877583 1415592598 /nfs/dbraw/zinc/59/25/98/1415592598.db2.gz KPLCESCRHHJPCH-UHFFFAOYSA-N 1 0 378.904 3.204 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000178060086 1428962122 /nfs/dbraw/zinc/96/21/22/1428962122.db2.gz ARUYFZOKJTYFEW-LJQANCHMSA-N 1 0 390.487 3.029 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](O)c1ccc(C#N)cc1 ZINC000126900636 1415599621 /nfs/dbraw/zinc/59/96/21/1415599621.db2.gz FNHHGUYNZNMRQB-IBGZPJMESA-N 1 0 397.548 3.190 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](O)c1ccc(C#N)cc1 ZINC000126900859 1415600370 /nfs/dbraw/zinc/60/03/70/1415600370.db2.gz FNHHGUYNZNMRQB-LJQANCHMSA-N 1 0 397.548 3.190 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178047261 1428955624 /nfs/dbraw/zinc/95/56/24/1428955624.db2.gz MAAVVUXPXWLCMD-INIZCTEOSA-N 1 0 396.516 3.090 20 30 GGEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)N(C)c1ccccc1 ZINC000126906591 1415601878 /nfs/dbraw/zinc/60/18/78/1415601878.db2.gz LEBIKUWXPZFZIY-LJQANCHMSA-N 1 0 393.535 3.156 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1nc(C2CCCC2)no1 ZINC000178052972 1428957849 /nfs/dbraw/zinc/95/78/49/1428957849.db2.gz UHSAZESTMQYGTQ-UHFFFAOYSA-N 1 0 395.507 3.122 20 30 GGEDRO CC(C)[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(CC#N)cc3)c2)CC1 ZINC000126936302 1415613489 /nfs/dbraw/zinc/61/34/89/1415613489.db2.gz RMOOPUYGTCOSTR-UHFFFAOYSA-N 1 0 398.532 3.084 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CC1 ZINC000178068476 1428967755 /nfs/dbraw/zinc/96/77/55/1428967755.db2.gz BHBRFPSVTQCJPM-UHFFFAOYSA-N 1 0 394.475 3.350 20 30 GGEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000127030408 1415642771 /nfs/dbraw/zinc/64/27/71/1415642771.db2.gz UNGGIYUGLYCPAS-SFHVURJKSA-N 1 0 379.460 3.288 20 30 GGEDRO N#Cc1ccc(CCC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000127060478 1415649963 /nfs/dbraw/zinc/64/99/63/1415649963.db2.gz ZRTXSISCJXYNCN-UHFFFAOYSA-N 1 0 377.488 3.334 20 30 GGEDRO N#Cc1ccc([C@H](O)CN2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000127136677 1415668193 /nfs/dbraw/zinc/66/81/93/1415668193.db2.gz KBYGLENRLOSVQY-QGZVFWFLSA-N 1 0 377.275 3.116 20 30 GGEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000127268605 1415710146 /nfs/dbraw/zinc/71/01/46/1415710146.db2.gz CXCCJWZVNMIINW-HXUWFJFHSA-N 1 0 383.879 3.093 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CCN(c2ccccc2)CC1 ZINC000127266743 1415710529 /nfs/dbraw/zinc/71/05/29/1415710529.db2.gz LWFCLQCIRKMLGO-UHFFFAOYSA-N 1 0 375.476 3.239 20 30 GGEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)c2)cc1 ZINC000178097766 1428980349 /nfs/dbraw/zinc/98/03/49/1428980349.db2.gz NNXZCDORUQHPTM-IBGZPJMESA-N 1 0 391.471 3.145 20 30 GGEDRO CCOC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000127311813 1415731594 /nfs/dbraw/zinc/73/15/94/1415731594.db2.gz YGCWGVJDPXRNTN-UHFFFAOYSA-N 1 0 394.475 3.331 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000127362092 1415752933 /nfs/dbraw/zinc/75/29/33/1415752933.db2.gz YWNMXBOQBUBAQI-UHFFFAOYSA-N 1 0 397.523 3.062 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000127382590 1415759638 /nfs/dbraw/zinc/75/96/38/1415759638.db2.gz URTHXSWFKYVZEC-UHFFFAOYSA-N 1 0 382.489 3.184 20 30 GGEDRO C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000127449169 1415782911 /nfs/dbraw/zinc/78/29/11/1415782911.db2.gz PGVWTEQWEKBEQO-KRWDZBQOSA-N 1 0 385.430 3.172 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1cccc(OCC#N)c1 ZINC000127476894 1415794905 /nfs/dbraw/zinc/79/49/05/1415794905.db2.gz NGIAMLKYPAWNRY-QRQCMCJISA-N 1 0 391.515 3.404 20 30 GGEDRO C#CCOc1ccc(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000127493508 1415800488 /nfs/dbraw/zinc/80/04/88/1415800488.db2.gz RMHUFQKJOJLBBQ-FQEVSTJZSA-N 1 0 377.488 3.008 20 30 GGEDRO C=CCc1cc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000127516941 1415803663 /nfs/dbraw/zinc/80/36/63/1415803663.db2.gz JPBQSYFLUFKOCL-INIZCTEOSA-N 1 0 375.513 3.106 20 30 GGEDRO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000127601698 1415817575 /nfs/dbraw/zinc/81/75/75/1415817575.db2.gz XBLURXOVCOCKSR-PMPSAXMXSA-N 1 0 381.476 3.492 20 30 GGEDRO CC1CC[NH+](Cc2ccccc2CNS(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000127791795 1415851198 /nfs/dbraw/zinc/85/11/98/1415851198.db2.gz IQEUWHTYXPSOEG-UHFFFAOYSA-N 1 0 397.544 3.410 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000127864601 1415865653 /nfs/dbraw/zinc/86/56/53/1415865653.db2.gz QTWDZSWROHPFGE-UHFFFAOYSA-N 1 0 392.459 3.000 20 30 GGEDRO CCOc1cc2[nH+]ccc(NCCCc3[nH]nc(N)c3C#N)c2cc1OCC ZINC000178235428 1429026057 /nfs/dbraw/zinc/02/60/57/1429026057.db2.gz OKNIZTUJYDGHPN-UHFFFAOYSA-N 1 0 380.452 3.254 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000128089366 1415909923 /nfs/dbraw/zinc/90/99/23/1415909923.db2.gz FZXKGGXOEQHLJN-OAHLLOKOSA-N 1 0 394.924 3.359 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000128089170 1415910144 /nfs/dbraw/zinc/91/01/44/1415910144.db2.gz FZXKGGXOEQHLJN-HNNXBMFYSA-N 1 0 394.924 3.359 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CSc2ccc(C(C)(C)C)cc2)c1C#N ZINC000128160549 1415928262 /nfs/dbraw/zinc/92/82/62/1415928262.db2.gz CSKOIGSOOMYWOM-UHFFFAOYSA-N 1 0 385.537 3.462 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1C#N ZINC000128210439 1415940111 /nfs/dbraw/zinc/94/01/11/1415940111.db2.gz RNLLNLPXMDEZAB-UHFFFAOYSA-N 1 0 398.467 3.257 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2nc3ccccc3s2)c1C#N ZINC000128219140 1415942084 /nfs/dbraw/zinc/94/20/84/1415942084.db2.gz RQCBYMAVVIZLRW-UHFFFAOYSA-N 1 0 382.493 3.004 20 30 GGEDRO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)cc1 ZINC000128233787 1415945019 /nfs/dbraw/zinc/94/50/19/1415945019.db2.gz MIURLUQYYONTIS-UHFFFAOYSA-N 1 0 378.520 3.493 20 30 GGEDRO Cc1cccc(S(=O)(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1C#N ZINC000128249771 1415948022 /nfs/dbraw/zinc/94/80/22/1415948022.db2.gz SDFCDKBMYNEJBP-UHFFFAOYSA-N 1 0 399.516 3.166 20 30 GGEDRO COC(=O)c1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000128325619 1415963394 /nfs/dbraw/zinc/96/33/94/1415963394.db2.gz CRUZLEFAINYAQV-UHFFFAOYSA-N 1 0 392.459 3.085 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000178233093 1429025636 /nfs/dbraw/zinc/02/56/36/1429025636.db2.gz YHSIZMVVMAJLBJ-ROUUACIJSA-N 1 0 393.572 3.426 20 30 GGEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)nc1 ZINC000128358843 1415970714 /nfs/dbraw/zinc/97/07/14/1415970714.db2.gz KQXIGOKFADRRKP-IBGZPJMESA-N 1 0 378.476 3.381 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)COc2ccccc2OC)CC1 ZINC000128452152 1415990283 /nfs/dbraw/zinc/99/02/83/1415990283.db2.gz WGOCJDPLHWURIR-QGZVFWFLSA-N 1 0 375.513 3.050 20 30 GGEDRO CCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1OC ZINC000128454939 1415990907 /nfs/dbraw/zinc/99/09/07/1415990907.db2.gz SZZBVMROGJCQMY-OAHLLOKOSA-N 1 0 388.489 3.090 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000128575189 1416017319 /nfs/dbraw/zinc/01/73/19/1416017319.db2.gz XPWFLLOWMZWLCN-QZTJIDSGSA-N 1 0 397.544 3.134 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000128674043 1416039148 /nfs/dbraw/zinc/03/91/48/1416039148.db2.gz UNHYCWTXVYCDDM-UHFFFAOYSA-N 1 0 385.508 3.105 20 30 GGEDRO COc1cccc(NC(=[NH2+])NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000128889842 1416093796 /nfs/dbraw/zinc/09/37/96/1416093796.db2.gz NTSSBALCVUEDLO-AWEZNQCLSA-N 1 0 397.397 3.172 20 30 GGEDRO CCNC(=S)C(C(=O)c1ccc(OC(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000128956709 1416112642 /nfs/dbraw/zinc/11/26/42/1416112642.db2.gz PQBWZFOSHOYQCY-UHFFFAOYSA-O 1 0 386.541 3.376 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3nc(C)co3)ccc2C)CC1 ZINC000128973372 1416116978 /nfs/dbraw/zinc/11/69/78/1416116978.db2.gz PJZBAHAMGVROTD-UHFFFAOYSA-N 1 0 396.491 3.054 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000129040576 1416131829 /nfs/dbraw/zinc/13/18/29/1416131829.db2.gz RWYWRSSBMWWRDG-UHFFFAOYSA-N 1 0 399.441 3.487 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000129046331 1416133008 /nfs/dbraw/zinc/13/30/08/1416133008.db2.gz XWEKRQCGOYTWJO-VHJHTJHASA-N 1 0 382.508 3.173 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[N@@H+]1C1CC1 ZINC000129046812 1416133288 /nfs/dbraw/zinc/13/32/88/1416133288.db2.gz XWEKRQCGOYTWJO-DGZYCVBISA-N 1 0 382.508 3.173 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)CC1 ZINC000178383821 1429066060 /nfs/dbraw/zinc/06/60/60/1429066060.db2.gz MBTNCBZQUIJEAW-NHCUHLMSSA-N 1 0 379.508 3.061 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000129109822 1416146986 /nfs/dbraw/zinc/14/69/86/1416146986.db2.gz WZGDPHOBLQINRQ-LEWJYISDSA-N 1 0 389.515 3.464 20 30 GGEDRO CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)Nc3ccc(C#N)cc3)c2)CC1 ZINC000129172806 1416162256 /nfs/dbraw/zinc/16/22/56/1416162256.db2.gz BFUKRFGSFQRQAU-UHFFFAOYSA-N 1 0 390.487 3.045 20 30 GGEDRO Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c(O[C@H]2CCOC2)c1 ZINC000129178592 1416164053 /nfs/dbraw/zinc/16/40/53/1416164053.db2.gz UNGJAELCDQQGIF-HKUYNNGSSA-N 1 0 381.476 3.091 20 30 GGEDRO CC[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@H]1CCCn2nc(C)nc21 ZINC000129179050 1416164210 /nfs/dbraw/zinc/16/42/10/1416164210.db2.gz NHHUSIQUWFXELY-INIZCTEOSA-N 1 0 384.459 3.370 20 30 GGEDRO C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1=S ZINC000129291098 1416186027 /nfs/dbraw/zinc/18/60/27/1416186027.db2.gz ATGCLFCEAJIVSK-MSOLQXFVSA-N 1 0 384.553 3.036 20 30 GGEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000129300353 1416187455 /nfs/dbraw/zinc/18/74/55/1416187455.db2.gz WWTWVDAZTLXIFA-QFIPXVFZSA-N 1 0 392.503 3.352 20 30 GGEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178429014 1429075594 /nfs/dbraw/zinc/07/55/94/1429075594.db2.gz AGFIYSGHFBAZIV-UHFFFAOYSA-N 1 0 398.532 3.237 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2Br)CC1)N(C)C[C@@H]1CCOC1 ZINC000129513961 1416221147 /nfs/dbraw/zinc/22/11/47/1416221147.db2.gz WFDYOXDJRHLXGR-AWEZNQCLSA-N 1 0 380.330 3.024 20 30 GGEDRO COc1cc(NC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000129519523 1416222057 /nfs/dbraw/zinc/22/20/57/1416222057.db2.gz UKSQDNIMDHPKLF-QFIPXVFZSA-N 1 0 381.476 3.185 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)CC1 ZINC000129670206 1416245807 /nfs/dbraw/zinc/24/58/07/1416245807.db2.gz AHYZTPZKITZIFO-FQEVSTJZSA-N 1 0 382.529 3.156 20 30 GGEDRO C=CCn1c(=S)n(CN2CC[NH+](C3CCCC3)CC2)nc1-c1ccncc1 ZINC000129747896 1416257140 /nfs/dbraw/zinc/25/71/40/1416257140.db2.gz OTKSOXXGZJCVEO-UHFFFAOYSA-N 1 0 384.553 3.180 20 30 GGEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)cn1 ZINC000129770917 1416261362 /nfs/dbraw/zinc/26/13/62/1416261362.db2.gz ZJGIMSNPNREERC-IBGZPJMESA-N 1 0 386.459 3.158 20 30 GGEDRO N#Cc1ccccc1COc1cccc(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000129796068 1416265153 /nfs/dbraw/zinc/26/51/53/1416265153.db2.gz ASRUVPKTKHGCCF-UHFFFAOYSA-N 1 0 391.515 3.434 20 30 GGEDRO CC(C)[C@H](CC[N@H+](C)CC(=O)NC1(C#N)CCCCC1)NC(=O)OC(C)(C)C ZINC000178467724 1429084177 /nfs/dbraw/zinc/08/41/77/1429084177.db2.gz TZJCQKYXMSDVJV-KRWDZBQOSA-N 1 0 394.560 3.200 20 30 GGEDRO C=CCC[C@@H](O)C[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000130036190 1416306239 /nfs/dbraw/zinc/30/62/39/1416306239.db2.gz WCJIULBHWYTPIR-LJQANCHMSA-N 1 0 375.513 3.394 20 30 GGEDRO C[C@H]([NH2+]C1(CNC(=O)C(=O)Nc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000130074924 1416312749 /nfs/dbraw/zinc/31/27/49/1416312749.db2.gz AOORETTZLPAHGE-KRWDZBQOSA-N 1 0 390.487 3.277 20 30 GGEDRO CNC(=O)C(C)(C)CNC(N[C@@H](C)c1cc(F)c(Cl)cc1Cl)=[NH+]C ZINC000178485429 1429087976 /nfs/dbraw/zinc/08/79/76/1429087976.db2.gz UYMJRNKUMWTJPF-VIFPVBQESA-N 1 0 377.291 3.131 20 30 GGEDRO N#Cc1ccc(CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C2CC2)cc1 ZINC000178487117 1429088471 /nfs/dbraw/zinc/08/84/71/1429088471.db2.gz ARIYGHQIOQHWSI-YADHBBJMSA-N 1 0 396.535 3.000 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000130330651 1416359576 /nfs/dbraw/zinc/35/95/76/1416359576.db2.gz LDBXZDKGJAFSEV-XPWALMASSA-N 1 0 388.515 3.360 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2nnc(C(F)F)n2c1)C(C)C ZINC000130359931 1416364454 /nfs/dbraw/zinc/36/44/54/1416364454.db2.gz PWRJDHYPXVQIMB-HNNXBMFYSA-N 1 0 377.439 3.095 20 30 GGEDRO COc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000130465176 1416382376 /nfs/dbraw/zinc/38/23/76/1416382376.db2.gz ZCWGIDKGTSZNHM-QGZVFWFLSA-N 1 0 387.867 3.347 20 30 GGEDRO C#CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000130590760 1416405466 /nfs/dbraw/zinc/40/54/66/1416405466.db2.gz IWKVRTNIFNBXDZ-UHFFFAOYSA-N 1 0 377.488 3.401 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)Cc2cccc(OCC#N)c2)[NH+]2CCCC2)c1 ZINC000130644397 1416416006 /nfs/dbraw/zinc/41/60/06/1416416006.db2.gz JGJVHOIHGOGVFZ-JOCHJYFZSA-N 1 0 393.487 3.093 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c1C#N ZINC000130660723 1416419374 /nfs/dbraw/zinc/41/93/74/1416419374.db2.gz DSTYWAOCOOCFSE-PKOBYXMFSA-N 1 0 399.539 3.054 20 30 GGEDRO C[C@H]1C[C@@H](N(C)C(=O)CNc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000130828650 1416461893 /nfs/dbraw/zinc/46/18/93/1416461893.db2.gz LQEOHVBPCJJZEW-AVRDEDQJSA-N 1 0 376.504 3.482 20 30 GGEDRO CCC[N@H+](CCC(=O)N(C)CCC#N)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000131074994 1416505400 /nfs/dbraw/zinc/50/54/00/1416505400.db2.gz CSZRSBAUPFSHQK-UHFFFAOYSA-N 1 0 399.322 3.406 20 30 GGEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NCc1ccon1)[n+]1ccccc1 ZINC000131114518 1416511148 /nfs/dbraw/zinc/51/11/48/1416511148.db2.gz FHJPUVKLWHWGFI-UHFFFAOYSA-O 1 0 378.477 3.179 20 30 GGEDRO C[NH+]=C(NCCc1c(C)noc1C)N(C)Cc1ccc(Br)cc1 ZINC000131166745 1416518560 /nfs/dbraw/zinc/51/85/60/1416518560.db2.gz FSHYQVDKIVWGIH-UHFFFAOYSA-N 1 0 379.302 3.304 20 30 GGEDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000131183014 1416520404 /nfs/dbraw/zinc/52/04/04/1416520404.db2.gz ZIMJTQNUCBGMBC-JOCHJYFZSA-N 1 0 392.503 3.124 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NCc2ccon2)[n+]2ccc(C)cc2)cc1 ZINC000131212823 1416524272 /nfs/dbraw/zinc/52/42/72/1416524272.db2.gz CWPUBXOTRLODBV-UHFFFAOYSA-O 1 0 396.492 3.398 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NCc1ccon1)[n+]1ccc(C)cc1 ZINC000131229823 1416526858 /nfs/dbraw/zinc/52/68/58/1416526858.db2.gz WJJRUZFZFFDNMO-UHFFFAOYSA-O 1 0 396.492 3.316 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(C)cc1 ZINC000131239733 1416528439 /nfs/dbraw/zinc/52/84/39/1416528439.db2.gz YLAVRXQASRDPFW-UHFFFAOYSA-O 1 0 381.493 3.452 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NCCSC)cc1 ZINC000131245455 1416529263 /nfs/dbraw/zinc/52/92/63/1416529263.db2.gz BMAJUAMTQLGQFR-UHFFFAOYSA-O 1 0 376.571 3.373 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NCCSC)[n+]1cccc(C)c1 ZINC000131258719 1416530986 /nfs/dbraw/zinc/53/09/86/1416530986.db2.gz JSFZTILIGNTACX-UHFFFAOYSA-O 1 0 389.566 3.491 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(C)cc1 ZINC000131267227 1416532151 /nfs/dbraw/zinc/53/21/51/1416532151.db2.gz ALKFVYFZJVBOFW-UHFFFAOYSA-O 1 0 381.493 3.452 20 30 GGEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1C ZINC000131287000 1416535407 /nfs/dbraw/zinc/53/54/07/1416535407.db2.gz IUPKHKIMGWXUHE-HXUWFJFHSA-N 1 0 393.535 3.238 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131324652 1416540330 /nfs/dbraw/zinc/54/03/30/1416540330.db2.gz JKHHZMKMPMKPAH-ZWKOTPCHSA-N 1 0 397.498 3.149 20 30 GGEDRO CSCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(C)c1 ZINC000131355818 1416544634 /nfs/dbraw/zinc/54/46/34/1416544634.db2.gz IRCUOSMCINSPHB-UHFFFAOYSA-O 1 0 381.493 3.452 20 30 GGEDRO COc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cn2)cc1OCCCC#N ZINC000131556353 1416575654 /nfs/dbraw/zinc/57/56/54/1416575654.db2.gz CXKSGXZAIFVSOL-UHFFFAOYSA-N 1 0 395.507 3.137 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000178567452 1429108895 /nfs/dbraw/zinc/10/88/95/1429108895.db2.gz DJIFOUIVADVKRT-SFHVURJKSA-N 1 0 398.507 3.366 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000131818320 1416628083 /nfs/dbraw/zinc/62/80/83/1416628083.db2.gz WZXUXEGTAAGXDR-SFHVURJKSA-N 1 0 393.487 3.069 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000131827667 1416630534 /nfs/dbraw/zinc/63/05/34/1416630534.db2.gz MPMSVRGZSJMDET-LJQANCHMSA-N 1 0 377.488 3.254 20 30 GGEDRO N#CCC[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000131897076 1416644554 /nfs/dbraw/zinc/64/45/54/1416644554.db2.gz CLHGBJFUPJGBNE-OAQYLSRUSA-N 1 0 377.492 3.390 20 30 GGEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCC1 ZINC000178592408 1429115792 /nfs/dbraw/zinc/11/57/92/1429115792.db2.gz YZBVKFAMFHXAME-QGZVFWFLSA-N 1 0 384.524 3.230 20 30 GGEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCC1 ZINC000178592396 1429115953 /nfs/dbraw/zinc/11/59/53/1429115953.db2.gz YZBVKFAMFHXAME-KRWDZBQOSA-N 1 0 384.524 3.230 20 30 GGEDRO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000132227029 1416720068 /nfs/dbraw/zinc/72/00/68/1416720068.db2.gz SBGHXIZBCSMBHQ-RXVVDRJESA-N 1 0 377.488 3.449 20 30 GGEDRO N#CCCN(C(=O)C[NH2+][C@@]1(CO)CCc2ccccc21)c1cccc(Cl)c1 ZINC000132317716 1416734928 /nfs/dbraw/zinc/73/49/28/1416734928.db2.gz HYGSXWCKYZZLOA-OAQYLSRUSA-N 1 0 383.879 3.010 20 30 GGEDRO C[NH+](C)CCCC1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000132324466 1416736598 /nfs/dbraw/zinc/73/65/98/1416736598.db2.gz LKRIMMWVNCWIHC-UHFFFAOYSA-N 1 0 384.524 3.247 20 30 GGEDRO C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000132496559 1416773216 /nfs/dbraw/zinc/77/32/16/1416773216.db2.gz UBZAOOJRVGZEFG-FQEVSTJZSA-N 1 0 380.492 3.471 20 30 GGEDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178613169 1429122104 /nfs/dbraw/zinc/12/21/04/1429122104.db2.gz XNTSHAGKRSNTKH-RDJZCZTQSA-N 1 0 384.524 3.086 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@]2(CO)CCc3ccccc32)ccc1Cl ZINC000132524613 1416778306 /nfs/dbraw/zinc/77/83/06/1416778306.db2.gz TZUSZGJEXYDFID-QFIPXVFZSA-N 1 0 397.906 3.319 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000132750119 1416811204 /nfs/dbraw/zinc/81/12/04/1416811204.db2.gz UZPLOGUOSPVFQH-CQSZACIVSA-N 1 0 387.318 3.198 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1cccc(CO)c1 ZINC000132975978 1416837912 /nfs/dbraw/zinc/83/79/12/1416837912.db2.gz MGLFJPGLRSZDIL-UHFFFAOYSA-O 1 0 387.525 3.112 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CO)c1C#N ZINC000133007756 1416841089 /nfs/dbraw/zinc/84/10/89/1416841089.db2.gz LBGFVCFBCKNZRK-YWZLYKJASA-N 1 0 398.507 3.039 20 30 GGEDRO Cc1ccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(OCC[NH+](C)C)c1 ZINC000133032271 1416843941 /nfs/dbraw/zinc/84/39/41/1416843941.db2.gz NIXUMUZLIJCFCJ-UHFFFAOYSA-N 1 0 394.475 3.102 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCSc2ccc3c(c2)OCCCO3)CC1 ZINC000133058848 1416847205 /nfs/dbraw/zinc/84/72/05/1416847205.db2.gz ISUCZUNGZBCTPK-UHFFFAOYSA-N 1 0 390.549 3.487 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C3CC3)nc3ccc(C)cc32)c1C#N ZINC000133234973 1416868597 /nfs/dbraw/zinc/86/85/97/1416868597.db2.gz CBGGACAWBSMDCX-UHFFFAOYSA-N 1 0 388.475 3.420 20 30 GGEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000133255171 1416871059 /nfs/dbraw/zinc/87/10/59/1416871059.db2.gz CKCJXIPCLPJDKM-UHFFFAOYSA-N 1 0 378.379 3.348 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1C#N ZINC000133275600 1416873338 /nfs/dbraw/zinc/87/33/38/1416873338.db2.gz ACNYXFRVNSXRCQ-UHFFFAOYSA-N 1 0 390.491 3.402 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000133276724 1416873504 /nfs/dbraw/zinc/87/35/04/1416873504.db2.gz NJAYAJSEUSFOGE-GJZGRUSLSA-N 1 0 390.553 3.112 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c1C#N ZINC000133331534 1416879574 /nfs/dbraw/zinc/87/95/74/1416879574.db2.gz YEWPZUURYPTHMU-GFCCVEGCSA-N 1 0 393.413 3.269 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)c1C#N ZINC000133331291 1416879600 /nfs/dbraw/zinc/87/96/00/1416879600.db2.gz YEWPZUURYPTHMU-LBPRGKRZSA-N 1 0 393.413 3.269 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC3CCCC3)c(OC)c2)c1C#N ZINC000133399170 1416886227 /nfs/dbraw/zinc/88/62/27/1416886227.db2.gz QIFRHQYVBADLHU-UHFFFAOYSA-N 1 0 397.479 3.016 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1C#N ZINC000133420551 1416888284 /nfs/dbraw/zinc/88/82/84/1416888284.db2.gz YUZBCIMQKXLEHD-STQMWFEESA-N 1 0 392.290 3.482 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1C#N ZINC000133420369 1416888373 /nfs/dbraw/zinc/88/83/73/1416888373.db2.gz YUZBCIMQKXLEHD-QWHCGFSZSA-N 1 0 392.290 3.482 20 30 GGEDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000133437103 1416889660 /nfs/dbraw/zinc/88/96/60/1416889660.db2.gz QSDRZKJWOGPLQC-QGZVFWFLSA-N 1 0 390.553 3.357 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(CC)cc1 ZINC000133535459 1416899092 /nfs/dbraw/zinc/89/90/92/1416899092.db2.gz MCVYWZQYGIAYSH-UHFFFAOYSA-O 1 0 397.520 3.428 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1C#N ZINC000133542160 1416899683 /nfs/dbraw/zinc/89/96/83/1416899683.db2.gz BGDYHNPCHOJCDN-CHWSQXEVSA-N 1 0 391.397 3.194 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1C#N ZINC000133542369 1416899714 /nfs/dbraw/zinc/89/97/14/1416899714.db2.gz BGDYHNPCHOJCDN-OLZOCXBDSA-N 1 0 391.397 3.194 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)c1C#N ZINC000133566023 1416905986 /nfs/dbraw/zinc/90/59/86/1416905986.db2.gz WPESTMHTXLAIBQ-UHFFFAOYSA-N 1 0 393.413 3.368 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1cccc(C(=O)OC)c1)[n+]1ccc(C)cc1 ZINC000133596110 1416914114 /nfs/dbraw/zinc/91/41/14/1416914114.db2.gz OBYVSGFZVIRQKG-HNNXBMFYSA-O 1 0 385.509 3.396 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21)C(C)C ZINC000133610531 1416919044 /nfs/dbraw/zinc/91/90/44/1416919044.db2.gz PXFDRCSVJCAHIZ-MSOLQXFVSA-N 1 0 388.560 3.234 20 30 GGEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c1)C1CC1 ZINC000133610995 1416919156 /nfs/dbraw/zinc/91/91/56/1416919156.db2.gz FBWSNSMEGNCDNL-UHFFFAOYSA-N 1 0 396.878 3.426 20 30 GGEDRO COC(=O)c1cccc(C(=O)C(C(=S)NCC2CCC2)[n+]2ccc(C)cc2)c1 ZINC000133639122 1416927814 /nfs/dbraw/zinc/92/78/14/1416927814.db2.gz NIHRWEBEWVEDKN-UHFFFAOYSA-O 1 0 397.520 3.398 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)c1C#N ZINC000133667242 1416935245 /nfs/dbraw/zinc/93/52/45/1416935245.db2.gz YGYCWQKHXHXPBT-GFCCVEGCSA-N 1 0 393.413 3.269 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1C#N ZINC000133667053 1416935568 /nfs/dbraw/zinc/93/55/68/1416935568.db2.gz YGYCWQKHXHXPBT-LBPRGKRZSA-N 1 0 393.413 3.269 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(OC3CCCCC3)cc2)c1C#N ZINC000133736659 1416954002 /nfs/dbraw/zinc/95/40/02/1416954002.db2.gz CZGXAFBZMBQYAL-UHFFFAOYSA-N 1 0 381.480 3.397 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133792709 1416964053 /nfs/dbraw/zinc/96/40/53/1416964053.db2.gz DHZPEWQJUSDRET-SJORKVTESA-N 1 0 386.517 3.361 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1C#N ZINC000133795948 1416964834 /nfs/dbraw/zinc/96/48/34/1416964834.db2.gz MMKGQWVRTRFZAM-RYUDHWBXSA-N 1 0 392.290 3.482 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c1C#N ZINC000133795732 1416964845 /nfs/dbraw/zinc/96/48/45/1416964845.db2.gz MMKGQWVRTRFZAM-NWDGAFQWSA-N 1 0 392.290 3.482 20 30 GGEDRO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(C)C ZINC000178702330 1429147186 /nfs/dbraw/zinc/14/71/86/1429147186.db2.gz CVVAZLRKBSNVIX-QGZVFWFLSA-N 1 0 386.540 3.334 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCc2cc(C)ccc2OC(F)F)cc1OC ZINC000134007683 1417009461 /nfs/dbraw/zinc/00/94/61/1417009461.db2.gz OWSJGMQQWMWMCM-UHFFFAOYSA-N 1 0 379.407 3.218 20 30 GGEDRO CCOc1cccc(CNC(=[NH2+])NCc2ccccc2OC)c1OC(F)F ZINC000134010489 1417009476 /nfs/dbraw/zinc/00/94/76/1417009476.db2.gz DESARTGCXNKVKF-UHFFFAOYSA-N 1 0 379.407 3.300 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000178729252 1429153054 /nfs/dbraw/zinc/15/30/54/1429153054.db2.gz KZPIHUDISKQLRM-FQEVSTJZSA-N 1 0 397.567 3.148 20 30 GGEDRO COc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2cccc(C)c2)cc1 ZINC000134152565 1417030479 /nfs/dbraw/zinc/03/04/79/1417030479.db2.gz PHDIYLBMVUDSQY-IBGZPJMESA-O 1 0 399.536 3.389 20 30 GGEDRO CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NC[C@@H]2CCCCO2)cc1 ZINC000134165581 1417031914 /nfs/dbraw/zinc/03/19/14/1417031914.db2.gz ZVSNYUHODBELJU-IBGZPJMESA-O 1 0 398.552 3.138 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccc(C)cc1 ZINC000134202748 1417037706 /nfs/dbraw/zinc/03/77/06/1417037706.db2.gz SHGXRIZJTAEPEP-KRWDZBQOSA-O 1 0 399.536 3.389 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccc(C)cc2)c(C)[nH]1 ZINC000134214237 1417038518 /nfs/dbraw/zinc/03/85/18/1417038518.db2.gz QPGQFBPXCKXCCE-QGZVFWFLSA-O 1 0 386.541 3.325 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2cccc(C)c2)c(C)[nH]1 ZINC000134217649 1417039223 /nfs/dbraw/zinc/03/92/23/1417039223.db2.gz DIWJWNDJLYEGFY-KRWDZBQOSA-O 1 0 386.541 3.325 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2cccc(C)c2)c(C)[nH]1 ZINC000134217669 1417039363 /nfs/dbraw/zinc/03/93/63/1417039363.db2.gz DIWJWNDJLYEGFY-QGZVFWFLSA-O 1 0 386.541 3.325 20 30 GGEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134218565 1417039519 /nfs/dbraw/zinc/03/95/19/1417039519.db2.gz FYKXTXMYFUHDJH-HNNXBMFYSA-O 1 0 391.463 3.350 20 30 GGEDRO C[C@@](C#N)(NC(=O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)C1CC1 ZINC000134459312 1417071580 /nfs/dbraw/zinc/07/15/80/1417071580.db2.gz HTBKHUBEDCLKOJ-ZBEGNZNMSA-N 1 0 386.443 3.150 20 30 GGEDRO COc1ccc(C[C@@H](C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1OC ZINC000134547374 1417085434 /nfs/dbraw/zinc/08/54/34/1417085434.db2.gz PLLQHMRZZGKPMP-QAPCUYQASA-N 1 0 383.492 3.311 20 30 GGEDRO COc1ccc(C[C@H](C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1OC ZINC000134547318 1417085476 /nfs/dbraw/zinc/08/54/76/1417085476.db2.gz PLLQHMRZZGKPMP-MAUKXSAKSA-N 1 0 383.492 3.311 20 30 GGEDRO CS[C@H]1CCCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000134557972 1417087068 /nfs/dbraw/zinc/08/70/68/1417087068.db2.gz YQPZKMDXDLOHNJ-KRWDZBQOSA-N 1 0 384.467 3.391 20 30 GGEDRO C=C[C@H](CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000134595351 1417093698 /nfs/dbraw/zinc/09/36/98/1417093698.db2.gz GILGVPRIHWMURO-HXUWFJFHSA-N 1 0 397.563 3.187 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000178726690 1429153294 /nfs/dbraw/zinc/15/32/94/1429153294.db2.gz NNGBUWCOMYQWGH-SQNIBIBYSA-N 1 0 398.551 3.476 20 30 GGEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000134772675 1417123297 /nfs/dbraw/zinc/12/32/97/1417123297.db2.gz QFUCWBFCCBPUBT-HRAATJIYSA-N 1 0 397.450 3.213 20 30 GGEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000134772652 1417123425 /nfs/dbraw/zinc/12/34/25/1417123425.db2.gz QFUCWBFCCBPUBT-IERDGZPVSA-N 1 0 397.450 3.213 20 30 GGEDRO CN(C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000134798050 1417127056 /nfs/dbraw/zinc/12/70/56/1417127056.db2.gz UYCQEVMSMXPURF-PMACEKPBSA-N 1 0 387.499 3.398 20 30 GGEDRO COC(=O)c1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000134835838 1417132882 /nfs/dbraw/zinc/13/28/82/1417132882.db2.gz YRIHVSDJEAKQIW-UHFFFAOYSA-N 1 0 381.451 3.192 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134908528 1417143068 /nfs/dbraw/zinc/14/30/68/1417143068.db2.gz CLBXAMXCSOHJSZ-NFBKMPQASA-N 1 0 394.563 3.499 20 30 GGEDRO N#Cc1ccc(NC(=O)CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000134912193 1417143543 /nfs/dbraw/zinc/14/35/43/1417143543.db2.gz GNXYBSOSMKGUMJ-OXQOHEQNSA-N 1 0 386.927 3.489 20 30 GGEDRO CN(C(=O)CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000134950747 1417150380 /nfs/dbraw/zinc/15/03/80/1417150380.db2.gz DMKFBHYSGWEBHP-UHFFFAOYSA-N 1 0 376.504 3.119 20 30 GGEDRO C=C(Br)CNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000135013511 1417160771 /nfs/dbraw/zinc/16/07/71/1417160771.db2.gz KKCHIYOYYJUDNK-KBPBESRZSA-N 1 0 380.330 3.351 20 30 GGEDRO CN(C(=O)CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccccc1 ZINC000135016269 1417161562 /nfs/dbraw/zinc/16/15/62/1417161562.db2.gz BBRFMUAFJSDUSM-UHFFFAOYSA-N 1 0 399.498 3.282 20 30 GGEDRO C=C(C)COCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000135030166 1417164912 /nfs/dbraw/zinc/16/49/12/1417164912.db2.gz WUJGOWMWDVQVPZ-QGZVFWFLSA-N 1 0 385.430 3.172 20 30 GGEDRO COc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1C#N ZINC000135028856 1417164920 /nfs/dbraw/zinc/16/49/20/1417164920.db2.gz CAKXVWWVRZMLCP-UHFFFAOYSA-N 1 0 375.432 3.391 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccn(CCC#N)n1 ZINC000135029633 1417164953 /nfs/dbraw/zinc/16/49/53/1417164953.db2.gz VVIURDPEJAKFGB-IRXDYDNUSA-N 1 0 380.496 3.075 20 30 GGEDRO N#CCOc1cc(F)ccc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000135249203 1417195685 /nfs/dbraw/zinc/19/56/85/1417195685.db2.gz DEGMZZZXYJFULR-UHFFFAOYSA-N 1 0 392.500 3.211 20 30 GGEDRO C[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000135262966 1417199116 /nfs/dbraw/zinc/19/91/16/1417199116.db2.gz YOPHRIZFFBJEHO-HNNXBMFYSA-N 1 0 382.439 3.296 20 30 GGEDRO C#CCSCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000135481055 1417225623 /nfs/dbraw/zinc/22/56/23/1417225623.db2.gz XZTFADDUADNSBR-PBHICJAKSA-N 1 0 383.920 3.138 20 30 GGEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000135515160 1417231747 /nfs/dbraw/zinc/23/17/47/1417231747.db2.gz SJNDEPUBYLJUPG-UHFFFAOYSA-N 1 0 394.496 3.263 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCS[C@@H]3COCC[C@@H]32)sc2c1CCCC2 ZINC000135535070 1417234294 /nfs/dbraw/zinc/23/42/94/1417234294.db2.gz PDIGUDYXNPFHMF-DOTOQJQBSA-N 1 0 391.562 3.033 20 30 GGEDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000135635726 1417251423 /nfs/dbraw/zinc/25/14/23/1417251423.db2.gz XOEOTKFEZPRSNR-INIZCTEOSA-N 1 0 383.521 3.180 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178793415 1429171609 /nfs/dbraw/zinc/17/16/09/1429171609.db2.gz QIRPUZUJZZJJPG-UHFFFAOYSA-N 1 0 375.538 3.143 20 30 GGEDRO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(C[NH+](C)C)cc2)C1=O ZINC000136009953 1417285705 /nfs/dbraw/zinc/28/57/05/1417285705.db2.gz IYMODWDVOHTQCO-OAQYLSRUSA-N 1 0 388.512 3.064 20 30 GGEDRO C=CCNc1ncc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000136185556 1417299628 /nfs/dbraw/zinc/29/96/28/1417299628.db2.gz ZFFYFHMKMQNJEZ-UHFFFAOYSA-N 1 0 399.564 3.073 20 30 GGEDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CN(Cc2ccccc2)C1 ZINC000136390007 1417313549 /nfs/dbraw/zinc/31/35/49/1417313549.db2.gz DFVPIILYIQKYIR-CVDCTZTESA-N 1 0 389.547 3.422 20 30 GGEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2cccc(C)c2)c1 ZINC000136490161 1417320556 /nfs/dbraw/zinc/32/05/56/1417320556.db2.gz HVBUQJKZJJRQAX-SFHVURJKSA-O 1 0 383.537 3.464 20 30 GGEDRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)cc1C#N ZINC000136495783 1417321070 /nfs/dbraw/zinc/32/10/70/1417321070.db2.gz LAXDKPLYSZTCIF-MRXNPFEDSA-N 1 0 394.393 3.406 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC[C@H]2CCOC2)cc1 ZINC000136522989 1417323603 /nfs/dbraw/zinc/32/36/03/1417323603.db2.gz DIWASPRHACPXSW-QGZVFWFLSA-O 1 0 395.548 3.336 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccc(C)cc2)cc1 ZINC000136534531 1417324368 /nfs/dbraw/zinc/32/43/68/1417324368.db2.gz FYYRDNKQFRLUCZ-KRWDZBQOSA-O 1 0 399.536 3.246 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccccc2OC)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136537243 1417324484 /nfs/dbraw/zinc/32/44/84/1417324484.db2.gz JWWMJRKYSPRREY-KRWDZBQOSA-O 1 0 399.536 3.110 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136867884 1417351783 /nfs/dbraw/zinc/35/17/83/1417351783.db2.gz ZRTQJGKTWZLCNR-SFHVURJKSA-N 1 0 389.499 3.456 20 30 GGEDRO N#Cc1ccc(CC(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000178813836 1429179318 /nfs/dbraw/zinc/17/93/18/1429179318.db2.gz ZFBXTOXSDNUQQM-NRFANRHFSA-N 1 0 385.471 3.383 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000137461027 1417387375 /nfs/dbraw/zinc/38/73/75/1417387375.db2.gz UCIKRUUHBCNAFZ-PKOBYXMFSA-N 1 0 381.561 3.031 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000137572664 1417390641 /nfs/dbraw/zinc/39/06/41/1417390641.db2.gz BWRVWVFFCQQSNH-OAQYLSRUSA-N 1 0 390.483 3.137 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000139857226 1417477383 /nfs/dbraw/zinc/47/73/83/1417477383.db2.gz WBGUXHFRPLQCHA-QAPCUYQASA-N 1 0 386.565 3.243 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000139857086 1417477743 /nfs/dbraw/zinc/47/77/43/1417477743.db2.gz WBGUXHFRPLQCHA-YJBOKZPZSA-N 1 0 386.565 3.243 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140219151 1417492925 /nfs/dbraw/zinc/49/29/25/1417492925.db2.gz WAHCIYRVHPVEQI-FUHWJXTLSA-N 1 0 383.517 3.415 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000178836928 1429188411 /nfs/dbraw/zinc/18/84/11/1429188411.db2.gz VYQPTGFPMNGYIU-UHFFFAOYSA-N 1 0 375.538 3.188 20 30 GGEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](CCc3cccs3)CC2)c(C#N)c1C ZINC000141400870 1417536174 /nfs/dbraw/zinc/53/61/74/1417536174.db2.gz XUZLSXDSEGZGRU-OAHLLOKOSA-N 1 0 386.521 3.017 20 30 GGEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)N[C@](C)(C#N)C4CC4)CC3)c2c1 ZINC000142127239 1417572729 /nfs/dbraw/zinc/57/27/29/1417572729.db2.gz JDDKYDVBWUYOSX-JOCHJYFZSA-N 1 0 380.492 3.164 20 30 GGEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)N[C@@](C)(C#N)C4CC4)CC3)c2c1 ZINC000142127395 1417572818 /nfs/dbraw/zinc/57/28/18/1417572818.db2.gz JDDKYDVBWUYOSX-QFIPXVFZSA-N 1 0 380.492 3.164 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)c1 ZINC000142193568 1417575552 /nfs/dbraw/zinc/57/55/52/1417575552.db2.gz QCVFGCBVJASDOD-FQEVSTJZSA-N 1 0 387.524 3.207 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)ccc1OC ZINC000142979605 1417606940 /nfs/dbraw/zinc/60/69/40/1417606940.db2.gz CFIVVODESCVTRU-UHFFFAOYSA-N 1 0 395.503 3.440 20 30 GGEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000145885858 1417702498 /nfs/dbraw/zinc/70/24/98/1417702498.db2.gz YGLWXUQHSKPRRD-NRFANRHFSA-N 1 0 399.922 3.206 20 30 GGEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000145888108 1417702854 /nfs/dbraw/zinc/70/28/54/1417702854.db2.gz YGLWXUQHSKPRRD-OAQYLSRUSA-N 1 0 399.922 3.206 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000145957752 1417706411 /nfs/dbraw/zinc/70/64/11/1417706411.db2.gz SZLAVLZJHHPWLZ-IRXDYDNUSA-N 1 0 387.524 3.063 20 30 GGEDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1OCCCC#N ZINC000147188568 1417740596 /nfs/dbraw/zinc/74/05/96/1417740596.db2.gz VWFMJLXNXQXPJB-GOSISDBHSA-N 1 0 388.439 3.046 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1OCCCC#N ZINC000147236430 1417742945 /nfs/dbraw/zinc/74/29/45/1417742945.db2.gz DTMKTVGTEMHTBV-FQEVSTJZSA-N 1 0 393.487 3.268 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[NH+](CC(C)C)CC2)cc1C ZINC000149928510 1417781783 /nfs/dbraw/zinc/78/17/83/1417781783.db2.gz SIESNJWFSWWRFN-UHFFFAOYSA-N 1 0 393.535 3.494 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC(C)(C)C[NH+](C)C)cc1C ZINC000149921859 1417781837 /nfs/dbraw/zinc/78/18/37/1417781837.db2.gz ATTFFRTUKFOVBA-UHFFFAOYSA-N 1 0 381.524 3.398 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000150742196 1417796221 /nfs/dbraw/zinc/79/62/21/1417796221.db2.gz XNWGEPCPULOWJS-KRWDZBQOSA-N 1 0 381.442 3.334 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1OCC#N ZINC000150792546 1417807830 /nfs/dbraw/zinc/80/78/30/1417807830.db2.gz YZXMSXRPPDCWPO-QRBZPYHOSA-N 1 0 383.492 3.088 20 30 GGEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)c1C#N ZINC000150834992 1417816584 /nfs/dbraw/zinc/81/65/84/1417816584.db2.gz KYGGCCVXWDXHDN-IBGZPJMESA-N 1 0 397.567 3.448 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCC(=O)OC(C)(C)C ZINC000150947877 1417841972 /nfs/dbraw/zinc/84/19/72/1417841972.db2.gz SDUJRJZKMNAXPK-UHFFFAOYSA-N 1 0 377.510 3.101 20 30 GGEDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000178914604 1429218697 /nfs/dbraw/zinc/21/86/97/1429218697.db2.gz DVSXOPUCVKBCEU-KRWDZBQOSA-N 1 0 380.410 3.175 20 30 GGEDRO COc1ccc([C@H](CNC(=O)CN(CC#N)C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000151120591 1417876381 /nfs/dbraw/zinc/87/63/81/1417876381.db2.gz UIPLYWZGEUDOBX-QFIPXVFZSA-N 1 0 398.551 3.107 20 30 GGEDRO CC(C)(C)CC[NH+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000151207556 1417893872 /nfs/dbraw/zinc/89/38/72/1417893872.db2.gz DKJKPXZBFMQLDY-UHFFFAOYSA-N 1 0 384.524 3.247 20 30 GGEDRO CC[N@H+](C)Cc1cccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000151235766 1417899202 /nfs/dbraw/zinc/89/92/02/1417899202.db2.gz AVOQQKFFCPFPSO-UHFFFAOYSA-N 1 0 392.503 3.435 20 30 GGEDRO CCN(C(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1)[C@H](C)c1ccc(F)cc1 ZINC000151287188 1417915711 /nfs/dbraw/zinc/91/57/11/1417915711.db2.gz JFWINKMBVYPZDH-OAHLLOKOSA-N 1 0 386.471 3.138 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)c2)c1 ZINC000151290023 1417916847 /nfs/dbraw/zinc/91/68/47/1417916847.db2.gz WJMUHTHEBVPLDY-UHFFFAOYSA-N 1 0 377.404 3.032 20 30 GGEDRO CC(C)[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151308799 1417921753 /nfs/dbraw/zinc/92/17/53/1417921753.db2.gz DPJWZKGJBGVDLC-NRFANRHFSA-N 1 0 385.508 3.429 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000151320957 1417925596 /nfs/dbraw/zinc/92/55/96/1417925596.db2.gz INXOYZHUIDSHNZ-UHFFFAOYSA-N 1 0 397.523 3.234 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccco1 ZINC000151328307 1417927344 /nfs/dbraw/zinc/92/73/44/1417927344.db2.gz YGLRMQLDDUTXKP-IBGZPJMESA-N 1 0 396.491 3.459 20 30 GGEDRO Cc1ccc(NC(=O)/C=C/c2ccc(OCC#N)cc2)c(OCC[NH+](C)C)c1 ZINC000151367049 1417938394 /nfs/dbraw/zinc/93/83/94/1417938394.db2.gz KAZJRHYIYXMEFI-YRNVUSSQSA-N 1 0 379.460 3.490 20 30 GGEDRO COc1cc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)ccc1S(=O)(=O)C(F)F ZINC000151384775 1417944164 /nfs/dbraw/zinc/94/41/64/1417944164.db2.gz ORQMQQDWGPRXCQ-GFCCVEGCSA-N 1 0 380.416 3.414 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)CC1 ZINC000151485393 1417997521 /nfs/dbraw/zinc/99/75/21/1417997521.db2.gz DOJJOSBWDMBDQI-FQEVSTJZSA-N 1 0 384.520 3.050 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000151834937 1418097745 /nfs/dbraw/zinc/09/77/45/1418097745.db2.gz UIHBGJZEYFDANG-NRFANRHFSA-N 1 0 386.540 3.227 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)CC1 ZINC000151955711 1418103877 /nfs/dbraw/zinc/10/38/77/1418103877.db2.gz GOXLCDFDJLZTQW-UHFFFAOYSA-N 1 0 394.519 3.367 20 30 GGEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000152050523 1418130233 /nfs/dbraw/zinc/13/02/33/1418130233.db2.gz DSUDDRQDWGQOLI-QGZVFWFLSA-N 1 0 377.492 3.320 20 30 GGEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000152052033 1418131129 /nfs/dbraw/zinc/13/11/29/1418131129.db2.gz HGEMSSIDKHTHGU-QGZVFWFLSA-N 1 0 377.492 3.320 20 30 GGEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000152054740 1418131421 /nfs/dbraw/zinc/13/14/21/1418131421.db2.gz RTMHCOZQSPVICH-IBGZPJMESA-N 1 0 382.508 3.048 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2C)[n+]1ccccc1 ZINC000152109482 1418147974 /nfs/dbraw/zinc/14/79/74/1418147974.db2.gz HBTPFMBLTRCXLU-UHFFFAOYSA-O 1 0 396.536 3.212 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1Cl ZINC000152125182 1418151298 /nfs/dbraw/zinc/15/12/98/1418151298.db2.gz IHLQCYFXGQRVEW-OAHLLOKOSA-N 1 0 398.898 3.415 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1Cl ZINC000152125097 1418151537 /nfs/dbraw/zinc/15/15/37/1418151537.db2.gz IHLQCYFXGQRVEW-HNNXBMFYSA-N 1 0 398.898 3.415 20 30 GGEDRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000152130514 1418153035 /nfs/dbraw/zinc/15/30/35/1418153035.db2.gz OPUKYKGOUBALCS-UGSOOPFHSA-N 1 0 385.489 3.315 20 30 GGEDRO CC[C@@H](c1ccc(F)cc1F)N1CCN(C(NCc2cc(C)no2)=[NH+]C)CC1 ZINC000179068049 1429254046 /nfs/dbraw/zinc/25/40/46/1429254046.db2.gz UNUCRCYQEKJYFS-IBGZPJMESA-N 1 0 391.466 3.106 20 30 GGEDRO COc1ccc(C[C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000179174449 1429285788 /nfs/dbraw/zinc/28/57/88/1429285788.db2.gz SASMUJTVRBXYTF-SFHVURJKSA-N 1 0 379.504 3.336 20 30 GGEDRO CC[NH+]=C(NCCc1ccc(Br)cc1)N1CC[C@]2(CCOC2)C1 ZINC000179198077 1429292042 /nfs/dbraw/zinc/29/20/42/1429292042.db2.gz LGKLAQPUIDQVHS-SFHVURJKSA-N 1 0 380.330 3.070 20 30 GGEDRO CCC[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1CCOC ZINC000179281215 1429313066 /nfs/dbraw/zinc/31/30/66/1429313066.db2.gz NZZUQSYNPPZDNB-QGZVFWFLSA-N 1 0 375.517 3.079 20 30 GGEDRO CN(CCC#N)C(=O)CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000179382010 1429351889 /nfs/dbraw/zinc/35/18/89/1429351889.db2.gz GMAQMXHTZHKBMS-UHFFFAOYSA-N 1 0 388.515 3.136 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc2cccnc21 ZINC000179395840 1429358353 /nfs/dbraw/zinc/35/83/53/1429358353.db2.gz VNHAYZBYDGJONN-UHFFFAOYSA-N 1 0 376.435 3.450 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496618 1429395213 /nfs/dbraw/zinc/39/52/13/1429395213.db2.gz MESJCGUKBCIKJA-OALUTQOASA-N 1 0 382.508 3.030 20 30 GGEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(Cc4ccccn4)CC3)CC2)nc1 ZINC000179594823 1429460529 /nfs/dbraw/zinc/46/05/29/1429460529.db2.gz OFLYELRSDNUVEH-UHFFFAOYSA-N 1 0 391.519 3.292 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000179624774 1429475784 /nfs/dbraw/zinc/47/57/84/1429475784.db2.gz GTAOXZGKCDXBKW-NRFANRHFSA-N 1 0 397.906 3.370 20 30 GGEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000179625703 1429476657 /nfs/dbraw/zinc/47/66/57/1429476657.db2.gz HNRKGHRYZHWVDC-OXJNMPFZSA-N 1 0 389.883 3.184 20 30 GGEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cc1 ZINC000179666360 1429497936 /nfs/dbraw/zinc/49/79/36/1429497936.db2.gz LGPFABZPCKYKLB-MJGOQNOKSA-N 1 0 382.533 3.116 20 30 GGEDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1C ZINC000179672578 1429500621 /nfs/dbraw/zinc/50/06/21/1429500621.db2.gz IRZIDXMLOZMJQS-QUCCMNQESA-N 1 0 396.560 3.425 20 30 GGEDRO Cc1cccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1C ZINC000179672589 1429500936 /nfs/dbraw/zinc/50/09/36/1429500936.db2.gz IRZIDXMLOZMJQS-ICSRJNTNSA-N 1 0 396.560 3.425 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(OCc2ccccn2)c1 ZINC000179686462 1429507073 /nfs/dbraw/zinc/50/70/73/1429507073.db2.gz DMDFXWLLBYDUOF-OPAMFIHVSA-N 1 0 378.476 3.120 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179688156 1429507725 /nfs/dbraw/zinc/50/77/25/1429507725.db2.gz CWTGMJJTLOBNBQ-VGOFRKELSA-N 1 0 380.492 3.366 20 30 GGEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000179698205 1429511516 /nfs/dbraw/zinc/51/15/16/1429511516.db2.gz NPSBRARTOHPWHS-DENIHFKCSA-N 1 0 394.544 3.198 20 30 GGEDRO COCCC[N@H+](C)CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000152335883 1422075455 /nfs/dbraw/zinc/07/54/55/1422075455.db2.gz ALNVETSILKPFHV-UHFFFAOYSA-N 1 0 383.517 3.408 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN(C)C[C@@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000152354264 1422081930 /nfs/dbraw/zinc/08/19/30/1422081930.db2.gz KIFKOZBKKIVJIW-QGZVFWFLSA-N 1 0 376.932 3.169 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152399351 1422093077 /nfs/dbraw/zinc/09/30/77/1422093077.db2.gz PQYDWXIWEQFJNR-HZPDHXFCSA-N 1 0 388.581 3.489 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CC2(O)CCCC2)c1C#N ZINC000152445142 1422105792 /nfs/dbraw/zinc/10/57/92/1422105792.db2.gz RMGKSGLYTKWCAC-UHFFFAOYSA-N 1 0 394.519 3.200 20 30 GGEDRO N#CCCN(C(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1 ZINC000179744844 1429533823 /nfs/dbraw/zinc/53/38/23/1429533823.db2.gz FDWKZIFMUYCVNJ-HSZRJFAPSA-N 1 0 391.471 3.445 20 30 GGEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C[C@@H]2CCC[N@H+](C)C2)c1C#N ZINC000152479343 1422114715 /nfs/dbraw/zinc/11/47/15/1422114715.db2.gz FUWQFIYHZGIDMH-GOSISDBHSA-N 1 0 385.556 3.304 20 30 GGEDRO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152618040 1422169191 /nfs/dbraw/zinc/16/91/91/1422169191.db2.gz IHYQLENUEVTMEO-NRFANRHFSA-N 1 0 394.560 3.152 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000179754316 1429540531 /nfs/dbraw/zinc/54/05/31/1429540531.db2.gz QHKMYMZNCYXRED-FQEVSTJZSA-N 1 0 385.895 3.226 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000152757495 1422238463 /nfs/dbraw/zinc/23/84/63/1422238463.db2.gz DKOLILJPMFDICB-INIZCTEOSA-N 1 0 393.528 3.363 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000152757902 1422239044 /nfs/dbraw/zinc/23/90/44/1422239044.db2.gz WUKYFEYIPIHGGT-KRWDZBQOSA-N 1 0 375.538 3.223 20 30 GGEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1C[C@@H]3CCC[C@@H]3C1)CCCC2 ZINC000152773785 1422243620 /nfs/dbraw/zinc/24/36/20/1422243620.db2.gz IAYDYKDASHXLSH-FGTMMUONSA-N 1 0 396.535 3.088 20 30 GGEDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000179757224 1429542489 /nfs/dbraw/zinc/54/24/89/1429542489.db2.gz CLEZPUZTEVKVLA-QRWLVFNGSA-N 1 0 383.492 3.230 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccc(C#N)cc1 ZINC000179756901 1429542674 /nfs/dbraw/zinc/54/26/74/1429542674.db2.gz KTYUVGDKVYCHGG-OAQYLSRUSA-N 1 0 377.488 3.319 20 30 GGEDRO C=CCOc1cccc(NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000152835212 1422266374 /nfs/dbraw/zinc/26/63/74/1422266374.db2.gz BHVOMPKNSPTVHQ-RTBURBONSA-N 1 0 386.540 3.274 20 30 GGEDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1C#N ZINC000179762878 1429546418 /nfs/dbraw/zinc/54/64/18/1429546418.db2.gz OKCWNCNICGNFAG-LHSJRXKWSA-N 1 0 377.444 3.397 20 30 GGEDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1C#N ZINC000179762900 1429546825 /nfs/dbraw/zinc/54/68/25/1429546825.db2.gz OKCWNCNICGNFAG-QKKBWIMNSA-N 1 0 377.444 3.397 20 30 GGEDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000153036732 1422334954 /nfs/dbraw/zinc/33/49/54/1422334954.db2.gz LZAGRSGUXBLVOR-CABCVRRESA-N 1 0 375.538 3.453 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179767287 1429549544 /nfs/dbraw/zinc/54/95/44/1429549544.db2.gz BQKKCFIGLNCELD-INIZCTEOSA-N 1 0 382.508 3.371 20 30 GGEDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000153073831 1422347020 /nfs/dbraw/zinc/34/70/20/1422347020.db2.gz AMYPWVKQZSEMMB-GOSISDBHSA-N 1 0 387.524 3.121 20 30 GGEDRO N#Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000153080060 1422349329 /nfs/dbraw/zinc/34/93/29/1422349329.db2.gz QZLDEQGNDWIMCL-IBGZPJMESA-N 1 0 383.879 3.098 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1C#N ZINC000153080545 1422350087 /nfs/dbraw/zinc/35/00/87/1422350087.db2.gz MDSYUUTUZOUNTI-BEFAXECRSA-N 1 0 380.492 3.140 20 30 GGEDRO CN(C(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1(C#N)CCCCC1 ZINC000179768483 1429550304 /nfs/dbraw/zinc/55/03/04/1429550304.db2.gz QJYKGUOIWCNTEZ-OAQYLSRUSA-N 1 0 383.492 3.183 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CC1 ZINC000153115705 1422361685 /nfs/dbraw/zinc/36/16/85/1422361685.db2.gz QWLURAPVXYZLFT-UHFFFAOYSA-N 1 0 393.509 3.104 20 30 GGEDRO NC(CCN1CC[NH+](Cc2ccccc2)CC1)=NOCc1csc(C2CC2)n1 ZINC000153264933 1422427222 /nfs/dbraw/zinc/42/72/22/1422427222.db2.gz OUMJLBYSZYZPPW-UHFFFAOYSA-N 1 0 399.564 3.017 20 30 GGEDRO COc1cc(CN2CC[C@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2)cc(OC)c1 ZINC000153354130 1422487358 /nfs/dbraw/zinc/48/73/58/1422487358.db2.gz UZXQVXFJYFEHPU-XLIONFOSSA-N 1 0 395.503 3.359 20 30 GGEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000153483078 1422562078 /nfs/dbraw/zinc/56/20/78/1422562078.db2.gz DPRXTBVGSPNGRA-FQEVSTJZSA-N 1 0 387.867 3.046 20 30 GGEDRO CCOC(=O)c1c(NC(=O)N(CCC#N)CCC[NH+](C)C)sc2c1CCC2 ZINC000153491316 1422568533 /nfs/dbraw/zinc/56/85/33/1422568533.db2.gz NEKVXVHPLBJQQV-UHFFFAOYSA-N 1 0 392.525 3.113 20 30 GGEDRO CC[C@H](c1ccc(F)cc1F)N1CCN(C(NCc2nccs2)=[NH+]C)CC1 ZINC000153508593 1422576376 /nfs/dbraw/zinc/57/63/76/1422576376.db2.gz XCZBSIBPSPZEAI-QGZVFWFLSA-N 1 0 393.507 3.266 20 30 GGEDRO C[NH+]=C(NCCc1cn2c(n1)CCCC2)N1CCSC2(CCCCC2)C1 ZINC000153563696 1422620294 /nfs/dbraw/zinc/62/02/94/1422620294.db2.gz HCDCHRMEZKVQAU-UHFFFAOYSA-N 1 0 375.586 3.089 20 30 GGEDRO C[NH+]=C(NCCc1cc(Cl)ccc1Br)N(C)C[C@@H]1CCOC1 ZINC000153627014 1422657301 /nfs/dbraw/zinc/65/73/01/1422657301.db2.gz KSQMPQSEOHTGJZ-LBPRGKRZSA-N 1 0 388.737 3.189 20 30 GGEDRO C[NH+]=C(NCCc1cc(Cl)ccc1Br)N(C)C[C@H]1CCOC1 ZINC000153627113 1422658211 /nfs/dbraw/zinc/65/82/11/1422658211.db2.gz KSQMPQSEOHTGJZ-GFCCVEGCSA-N 1 0 388.737 3.189 20 30 GGEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000153700432 1422708868 /nfs/dbraw/zinc/70/88/68/1422708868.db2.gz GCNFGBSJIIQOSQ-QGZVFWFLSA-N 1 0 383.517 3.371 20 30 GGEDRO C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CCS[C@@H](C(C)C)C1 ZINC000153782966 1422754840 /nfs/dbraw/zinc/75/48/40/1422754840.db2.gz WWMURANVPWFRAO-LLVKDONJSA-N 1 0 380.505 3.353 20 30 GGEDRO COC(=O)c1c(C2CC2)csc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000153863540 1422800920 /nfs/dbraw/zinc/80/09/20/1422800920.db2.gz OEZUNCRHNYPQNT-UHFFFAOYSA-N 1 0 378.498 3.111 20 30 GGEDRO C=CCN(C)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000153942722 1422814580 /nfs/dbraw/zinc/81/45/80/1422814580.db2.gz LPDDQYFOYMFLML-UHFFFAOYSA-N 1 0 398.473 3.435 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC[C@@H]21 ZINC000153969549 1422818941 /nfs/dbraw/zinc/81/89/41/1422818941.db2.gz JQPWLWWIFGENHG-MJGOQNOKSA-N 1 0 379.460 3.287 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153970499 1422819238 /nfs/dbraw/zinc/81/92/38/1422819238.db2.gz KRBOSMJHASWJJY-UHFFFAOYSA-N 1 0 399.583 3.461 20 30 GGEDRO C=CCc1ccc(OCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000154112915 1422842248 /nfs/dbraw/zinc/84/22/48/1422842248.db2.gz XRKVGPGGXXJYTB-AZUAARDMSA-N 1 0 384.520 3.278 20 30 GGEDRO C=CCc1ccc(OCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000154112848 1422842359 /nfs/dbraw/zinc/84/23/59/1422842359.db2.gz XRKVGPGGXXJYTB-QUCCMNQESA-N 1 0 384.520 3.278 20 30 GGEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000154381175 1422881243 /nfs/dbraw/zinc/88/12/43/1422881243.db2.gz OPCKIWVPTKNQNK-IBGZPJMESA-N 1 0 396.878 3.103 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1 ZINC000154380128 1422881367 /nfs/dbraw/zinc/88/13/67/1422881367.db2.gz ARSQVIOZCJQYJR-LJQANCHMSA-N 1 0 398.894 3.349 20 30 GGEDRO COCCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154447019 1422889848 /nfs/dbraw/zinc/88/98/48/1422889848.db2.gz RCSTVNWREQEHHT-OAQYLSRUSA-N 1 0 377.488 3.450 20 30 GGEDRO c1coc(CC[NH+]=C(N[C@@H]2CCOc3ccccc32)N2CC[C@]3(CCOC3)C2)c1 ZINC000154481757 1422894862 /nfs/dbraw/zinc/89/48/62/1422894862.db2.gz RABIBYPUFKFOPK-OFNKIYASSA-N 1 0 395.503 3.404 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(N(C)C)cc1 ZINC000154482663 1422894986 /nfs/dbraw/zinc/89/49/86/1422894986.db2.gz YMTRIVXACRRLSM-OAHLLOKOSA-O 1 0 398.552 3.302 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccccc1 ZINC000154484662 1422895151 /nfs/dbraw/zinc/89/51/51/1422895151.db2.gz LSUJVZPLGKTRGD-MRXNPFEDSA-O 1 0 396.536 3.428 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccc(C)cc1 ZINC000154488377 1422895956 /nfs/dbraw/zinc/89/59/56/1422895956.db2.gz PUEPAJDKDZFHTN-HNNXBMFYSA-O 1 0 396.536 3.494 20 30 GGEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[NH+]1CCC(C)CC1 ZINC000154504582 1422897989 /nfs/dbraw/zinc/89/79/89/1422897989.db2.gz DMQNRGDWZCOXOC-SFHVURJKSA-N 1 0 390.915 3.023 20 30 GGEDRO C[N@H+](CCOCc1ccccc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000154538831 1422911846 /nfs/dbraw/zinc/91/18/46/1422911846.db2.gz XWKHWIQNYRAGDT-LJQANCHMSA-N 1 0 386.455 3.372 20 30 GGEDRO C[C@](O)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000154569310 1422936846 /nfs/dbraw/zinc/93/68/46/1422936846.db2.gz ZCDVTEKCEXXTLY-IBGZPJMESA-N 1 0 375.856 3.136 20 30 GGEDRO Cc1ccc(NC(=O)NCc2cccc(OCC#N)c2)c(OCC[NH+](C)C)c1 ZINC000154612819 1422962044 /nfs/dbraw/zinc/96/20/44/1422962044.db2.gz YCCXPUVAPNVWME-UHFFFAOYSA-N 1 0 382.464 3.160 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000154669153 1422994136 /nfs/dbraw/zinc/99/41/36/1422994136.db2.gz YIBDKSLJLMUMDQ-UHFFFAOYSA-N 1 0 396.535 3.190 20 30 GGEDRO C=CCn1c(SCC(=O)NC2CC[NH+](CC)CC2)nnc1-c1ccc(C)cc1 ZINC000154698653 1423004911 /nfs/dbraw/zinc/00/49/11/1423004911.db2.gz QBWRDKZIBGMEFE-UHFFFAOYSA-N 1 0 399.564 3.132 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000154735182 1423015835 /nfs/dbraw/zinc/01/58/35/1423015835.db2.gz UXBYPPQLDLWKDN-SFHVURJKSA-N 1 0 384.524 3.438 20 30 GGEDRO C#CCOc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000154739350 1423017981 /nfs/dbraw/zinc/01/79/81/1423017981.db2.gz HXHCAQMHSJFEPV-UHFFFAOYSA-N 1 0 380.463 3.366 20 30 GGEDRO C[C@H]([NH2+]C1(CNC(=O)c2c(F)cc(C#N)cc2F)CCOCC1)c1ccccc1 ZINC000154792883 1423034524 /nfs/dbraw/zinc/03/45/24/1423034524.db2.gz SHMVMRRZWCHNSR-HNNXBMFYSA-N 1 0 399.441 3.466 20 30 GGEDRO COCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000154880842 1423065208 /nfs/dbraw/zinc/06/52/08/1423065208.db2.gz NQROVVBHHDJILR-UHFFFAOYSA-N 1 0 386.471 3.117 20 30 GGEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000154892480 1423070177 /nfs/dbraw/zinc/07/01/77/1423070177.db2.gz JKJJWLASPPQYDN-UHFFFAOYSA-N 1 0 392.503 3.026 20 30 GGEDRO C#CCCCCNC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000154948869 1423088890 /nfs/dbraw/zinc/08/88/90/1423088890.db2.gz LBTJFZIQSZKTKY-UHFFFAOYSA-N 1 0 386.540 3.116 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155114652 1423174743 /nfs/dbraw/zinc/17/47/43/1423174743.db2.gz GTRZQERMEYCDHH-QGZVFWFLSA-N 1 0 375.513 3.005 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000179886343 1429624925 /nfs/dbraw/zinc/62/49/25/1429624925.db2.gz GLYLGUFPDDTCDK-UHFFFAOYSA-N 1 0 393.535 3.171 20 30 GGEDRO O=C(NCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)C1N=CC=CC1=O ZINC000179887493 1429625763 /nfs/dbraw/zinc/62/57/63/1429625763.db2.gz ZOWVTEQEOKGGES-DQRAZIAOSA-N 1 0 395.434 3.021 20 30 GGEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)c1 ZINC000155233981 1423263467 /nfs/dbraw/zinc/26/34/67/1423263467.db2.gz FAXSXQBUHMZFNG-UHFFFAOYSA-N 1 0 398.894 3.049 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179892415 1429627385 /nfs/dbraw/zinc/62/73/85/1429627385.db2.gz NCTOEMHMZFXSQW-IBGZPJMESA-N 1 0 397.486 3.381 20 30 GGEDRO CC(C)([NH2+]CCC(=O)Nc1sccc1C#N)C(=O)NCC1CCCCC1 ZINC000155313435 1423312972 /nfs/dbraw/zinc/31/29/72/1423312972.db2.gz WUOSZWVDDCFCNE-UHFFFAOYSA-N 1 0 376.526 3.013 20 30 GGEDRO N#Cc1ccc(NCC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000155428261 1423359700 /nfs/dbraw/zinc/35/97/00/1423359700.db2.gz SAHLQBKUKSAFLY-UHFFFAOYSA-N 1 0 378.476 3.474 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCC(C)(C)c2ccccc2Br)CC1 ZINC000155468254 1423377155 /nfs/dbraw/zinc/37/71/55/1423377155.db2.gz DWWUBZNBBVOCDX-UHFFFAOYSA-N 1 0 377.326 3.188 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000155507322 1423391959 /nfs/dbraw/zinc/39/19/59/1423391959.db2.gz BBNNUVCLZUKXBH-DLBZAZTESA-N 1 0 378.476 3.062 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000155539719 1423408122 /nfs/dbraw/zinc/40/81/22/1423408122.db2.gz MAANDFFURNZBPY-SFHVURJKSA-N 1 0 387.524 3.064 20 30 GGEDRO COc1ccc(C[N@H+](CC(=O)Nc2sccc2C#N)[C@H](CO)C(C)C)cc1 ZINC000179919867 1429641179 /nfs/dbraw/zinc/64/11/79/1429641179.db2.gz DTSGPLRIPVYBND-GOSISDBHSA-N 1 0 387.505 3.086 20 30 GGEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000155597525 1423437189 /nfs/dbraw/zinc/43/71/89/1423437189.db2.gz BPBUZRIJGAAACF-MRXNPFEDSA-N 1 0 380.517 3.387 20 30 GGEDRO N#Cc1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)ccc1OCC(F)(F)F ZINC000155670532 1423479248 /nfs/dbraw/zinc/47/92/48/1423479248.db2.gz CMSBPPBCBGWAPA-UHFFFAOYSA-N 1 0 394.397 3.367 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)CC[C@@H]21 ZINC000155774535 1423529142 /nfs/dbraw/zinc/52/91/42/1423529142.db2.gz DEICKYMOZZTESN-PXNSSMCTSA-N 1 0 379.460 3.287 20 30 GGEDRO CCn1nnnc1-c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000179935839 1429651189 /nfs/dbraw/zinc/65/11/89/1429651189.db2.gz ORVROCMBIKRIBO-UHFFFAOYSA-N 1 0 387.491 3.308 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)CC1 ZINC000155870007 1423569547 /nfs/dbraw/zinc/56/95/47/1423569547.db2.gz ZCTKVAMHQITWLE-UHFFFAOYSA-N 1 0 396.491 3.054 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(CC(F)(F)F)CC2)cc1Cl ZINC000155898797 1423584339 /nfs/dbraw/zinc/58/43/39/1423584339.db2.gz QIFNNXJPGPOWRP-UHFFFAOYSA-N 1 0 388.821 3.110 20 30 GGEDRO C[NH+]=C(NCCc1cc(Br)ccc1F)NCc1c(C)noc1C ZINC000155927068 1423596960 /nfs/dbraw/zinc/59/69/60/1423596960.db2.gz BRKGACFQJMZWNW-UHFFFAOYSA-N 1 0 383.265 3.101 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1 ZINC000155969574 1423613987 /nfs/dbraw/zinc/61/39/87/1423613987.db2.gz DZUCUTLVSIQRQO-UHFFFAOYSA-N 1 0 383.414 3.434 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156007595 1423631641 /nfs/dbraw/zinc/63/16/41/1423631641.db2.gz FUOFFGGZMDCZLM-YADHBBJMSA-N 1 0 398.551 3.248 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000156022384 1423637651 /nfs/dbraw/zinc/63/76/51/1423637651.db2.gz QWQHUWPIDXRKQW-LAUBAEHRSA-N 1 0 397.519 3.055 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000156055758 1423653956 /nfs/dbraw/zinc/65/39/56/1423653956.db2.gz CKIMXSVXYCXQTM-UHFFFAOYSA-N 1 0 393.462 3.039 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000156083490 1423664620 /nfs/dbraw/zinc/66/46/20/1423664620.db2.gz JNCNNAMRCJIUFQ-OALUTQOASA-N 1 0 377.554 3.214 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000156104390 1423674325 /nfs/dbraw/zinc/67/43/25/1423674325.db2.gz NPRLFCWVKLCWJM-SFTDATJTSA-N 1 0 389.515 3.291 20 30 GGEDRO C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)CC1 ZINC000156118182 1423680477 /nfs/dbraw/zinc/68/04/77/1423680477.db2.gz OFXODTYQRYNNEX-UHFFFAOYSA-N 1 0 378.476 3.106 20 30 GGEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CNc1cccc(C#N)c1 ZINC000156168235 1423704234 /nfs/dbraw/zinc/70/42/34/1423704234.db2.gz NVIKDJXKGLYUTK-UHFFFAOYSA-N 1 0 380.517 3.466 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000179964210 1429665128 /nfs/dbraw/zinc/66/51/28/1429665128.db2.gz LDFCDDAKGHTKHU-BEFAXECRSA-N 1 0 377.444 3.176 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000179964190 1429665344 /nfs/dbraw/zinc/66/53/44/1429665344.db2.gz LDFCDDAKGHTKHU-KXBFYZLASA-N 1 0 377.444 3.176 20 30 GGEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000156193738 1423717764 /nfs/dbraw/zinc/71/77/64/1423717764.db2.gz MQGXVAGZLYNSKJ-UHFFFAOYSA-N 1 0 395.525 3.292 20 30 GGEDRO NC(=NOCc1ncn(-c2ccccc2)n1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000179967192 1429667226 /nfs/dbraw/zinc/66/72/26/1429667226.db2.gz AFNYBCGBPLMFCI-UHFFFAOYSA-N 1 0 390.491 3.090 20 30 GGEDRO NC(=NOCc1ncn(-c2ccccc2)n1)c1ccccc1C[NH+]1CCCCC1 ZINC000179967436 1429667239 /nfs/dbraw/zinc/66/72/39/1429667239.db2.gz QOYRZGWBKJJJGJ-UHFFFAOYSA-N 1 0 390.491 3.090 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156256251 1423745012 /nfs/dbraw/zinc/74/50/12/1423745012.db2.gz NHJIQIGVMFPEMD-YADHBBJMSA-N 1 0 396.535 3.024 20 30 GGEDRO N#CCOc1cccc(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000156340864 1423788884 /nfs/dbraw/zinc/78/88/84/1423788884.db2.gz CANDCFRNTYRRSW-UHFFFAOYSA-N 1 0 384.524 3.387 20 30 GGEDRO Cc1cccc(S(=O)(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C#N ZINC000179982278 1429673875 /nfs/dbraw/zinc/67/38/75/1429673875.db2.gz LMBPABJKMFEZNA-UHFFFAOYSA-N 1 0 398.532 3.189 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179981122 1429673949 /nfs/dbraw/zinc/67/39/49/1429673949.db2.gz LIODHKMVDNHWRE-UHFFFAOYSA-N 1 0 398.532 3.189 20 30 GGEDRO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000156481284 1423816268 /nfs/dbraw/zinc/81/62/68/1423816268.db2.gz VNFFJJMJERJULZ-UHFFFAOYSA-N 1 0 375.469 3.016 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000156647031 1423840230 /nfs/dbraw/zinc/84/02/30/1423840230.db2.gz MFCOHXFYNHFZMB-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C[N@H+](CCCOc1cccc(C#N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000156654275 1423841714 /nfs/dbraw/zinc/84/17/14/1423841714.db2.gz DUBUFJIXANQMIK-UHFFFAOYSA-N 1 0 378.520 3.361 20 30 GGEDRO Cc1cc(C)n2c(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)cnc2n1 ZINC000156661907 1423843631 /nfs/dbraw/zinc/84/36/31/1423843631.db2.gz NGWUCPCFJNHVFP-QGZVFWFLSA-N 1 0 378.455 3.116 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N3CCCCCC3)c2)CC1 ZINC000156702713 1423851051 /nfs/dbraw/zinc/85/10/51/1423851051.db2.gz YDXUCQWHGRFPRS-UHFFFAOYSA-N 1 0 398.551 3.162 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000156854917 1423875883 /nfs/dbraw/zinc/87/58/83/1423875883.db2.gz CITIMTMGZXMZSG-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO Cc1cccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1C#N ZINC000156919662 1423885817 /nfs/dbraw/zinc/88/58/17/1423885817.db2.gz KOYUHOLFRIHREA-UHFFFAOYSA-N 1 0 389.546 3.119 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000157339788 1423988942 /nfs/dbraw/zinc/98/89/42/1423988942.db2.gz MNSLWIMTZRWSCM-XLIONFOSSA-N 1 0 382.508 3.083 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H]([NH+]3CCCC3)CC1)CCC2 ZINC000157342624 1423989620 /nfs/dbraw/zinc/98/96/20/1423989620.db2.gz JIZDRVWNHGXNPM-INIZCTEOSA-N 1 0 386.565 3.387 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000157349825 1423991952 /nfs/dbraw/zinc/99/19/52/1423991952.db2.gz MBLYQSCZQPTQSO-INIZCTEOSA-N 1 0 377.448 3.219 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157458436 1424015076 /nfs/dbraw/zinc/01/50/76/1424015076.db2.gz MXIANLMYGZOEOH-PMACEKPBSA-N 1 0 398.551 3.281 20 30 GGEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157462694 1424015819 /nfs/dbraw/zinc/01/58/19/1424015819.db2.gz UWAIBABMIFNNQP-HXUWFJFHSA-N 1 0 398.551 3.282 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)[nH]1 ZINC000157483260 1424021304 /nfs/dbraw/zinc/02/13/04/1424021304.db2.gz UVNVEZWXOGTIPW-UHFFFAOYSA-N 1 0 399.498 3.456 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000157561109 1424038339 /nfs/dbraw/zinc/03/83/39/1424038339.db2.gz MGQDKDHPJJTNSN-CVEARBPZSA-N 1 0 395.956 3.487 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000157714494 1424072065 /nfs/dbraw/zinc/07/20/65/1424072065.db2.gz MCRGIBCQBOOLDZ-SFHVURJKSA-N 1 0 381.520 3.110 20 30 GGEDRO CC[C@H](CC#N)NC(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000157791098 1424088718 /nfs/dbraw/zinc/08/87/18/1424088718.db2.gz CQLKQBDZEXKUQX-CQSZACIVSA-N 1 0 393.919 3.225 20 30 GGEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3sccc3C#N)ccc2NC1=O ZINC000180021447 1429697679 /nfs/dbraw/zinc/69/76/79/1429697679.db2.gz MSLCAGVGURJVII-IAQYHMDHSA-N 1 0 384.461 3.019 20 30 GGEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000157835597 1424099394 /nfs/dbraw/zinc/09/93/94/1424099394.db2.gz PERWJDLTNAGNJS-YLJYHZDGSA-N 1 0 383.517 3.232 20 30 GGEDRO C[NH+]=C(NCCOc1ccccc1-c1ccccc1)N1CC[C@@]2(CCOC2)C1 ZINC000157975650 1424132286 /nfs/dbraw/zinc/13/22/86/1424132286.db2.gz VBXPFBUHVPWVOD-HSZRJFAPSA-N 1 0 379.504 3.420 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000158051660 1424149551 /nfs/dbraw/zinc/14/95/51/1424149551.db2.gz JNOYTIRYCKTDRE-LJQANCHMSA-N 1 0 382.460 3.332 20 30 GGEDRO C[NH+]=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CC[C@]2(CCOC2)C1 ZINC000158064442 1424154047 /nfs/dbraw/zinc/15/40/47/1424154047.db2.gz JZHNOGQKYIKNDW-NRFANRHFSA-N 1 0 384.455 3.201 20 30 GGEDRO CC[NH+]=C(NCCc1csc(-c2ccccc2)n1)N1CC[C@@]2(CCOC2)C1 ZINC000158108577 1424168987 /nfs/dbraw/zinc/16/89/87/1424168987.db2.gz ZFAIXXFFGJWAAH-OAQYLSRUSA-N 1 0 384.549 3.431 20 30 GGEDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180029786 1429703475 /nfs/dbraw/zinc/70/34/75/1429703475.db2.gz SFHQTGXREXPIAZ-UHFFFAOYSA-N 1 0 380.492 3.488 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000158187302 1424189401 /nfs/dbraw/zinc/18/94/01/1424189401.db2.gz XXHZKRHAYCDARI-AEFFLSMTSA-N 1 0 394.560 3.114 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(C)cc2OC[C@H]2CCCO2)cc1 ZINC000158302573 1424220993 /nfs/dbraw/zinc/22/09/93/1424220993.db2.gz BSNCKPWDFPQJAD-OAQYLSRUSA-N 1 0 397.519 3.208 20 30 GGEDRO Cn1cc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180042222 1429709638 /nfs/dbraw/zinc/70/96/38/1429709638.db2.gz IVENECZFTACICD-UHFFFAOYSA-N 1 0 382.471 3.493 20 30 GGEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000180043640 1429710597 /nfs/dbraw/zinc/71/05/97/1429710597.db2.gz HLLFULHRAPHOQE-SFHVURJKSA-N 1 0 385.515 3.495 20 30 GGEDRO Cn1cc(C[NH2+]CCCN2CCc3ccccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180044001 1429710705 /nfs/dbraw/zinc/71/07/05/1429710705.db2.gz OSDJDHUIDWJGMS-UHFFFAOYSA-N 1 0 385.515 3.497 20 30 GGEDRO Cn1cc(C[NH2+]Cc2ccccc2CN2CCCC2=O)c(-c2ccc(C#N)cc2)n1 ZINC000180048782 1429713001 /nfs/dbraw/zinc/71/30/01/1429713001.db2.gz IMHQFCFCCLFOFJ-UHFFFAOYSA-N 1 0 399.498 3.371 20 30 GGEDRO Cn1cc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180049774 1429713889 /nfs/dbraw/zinc/71/38/89/1429713889.db2.gz LZXQUOXFHKHMEL-UHFFFAOYSA-N 1 0 382.471 3.493 20 30 GGEDRO COCCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180050423 1429714521 /nfs/dbraw/zinc/71/45/21/1429714521.db2.gz CAUJWPGWMLTPHP-UHFFFAOYSA-N 1 0 376.460 3.274 20 30 GGEDRO Cn1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180057527 1429717209 /nfs/dbraw/zinc/71/72/09/1429717209.db2.gz KAOYDLXRPZJEEC-UHFFFAOYSA-N 1 0 386.503 3.108 20 30 GGEDRO N#CC1(NC(=O)CN2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000158702810 1424323047 /nfs/dbraw/zinc/32/30/47/1424323047.db2.gz YNCLWCORLCFUMS-IAGOWNOFSA-N 1 0 395.425 3.156 20 30 GGEDRO N#CC1(NC(=O)CN2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000158702586 1424323228 /nfs/dbraw/zinc/32/32/28/1424323228.db2.gz YNCLWCORLCFUMS-DLBZAZTESA-N 1 0 395.425 3.156 20 30 GGEDRO Cn1cc(C[NH2+]C2CCN(Cc3ccncc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180062845 1429719796 /nfs/dbraw/zinc/71/97/96/1429719796.db2.gz DHIJAKYNSCAOPB-UHFFFAOYSA-N 1 0 386.503 3.108 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000158910652 1424370105 /nfs/dbraw/zinc/37/01/05/1424370105.db2.gz NMMTYHNFCBIKBK-XLIONFOSSA-N 1 0 388.943 3.311 20 30 GGEDRO Cc1cccc(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1C#N ZINC000158964486 1424382804 /nfs/dbraw/zinc/38/28/04/1424382804.db2.gz BZGDJZGYRLTTJJ-UHFFFAOYSA-N 1 0 375.538 3.143 20 30 GGEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000158963626 1424383103 /nfs/dbraw/zinc/38/31/03/1424383103.db2.gz BLUKCRUEETVZRU-UHFFFAOYSA-N 1 0 395.956 3.488 20 30 GGEDRO C[NH+]=C(NCc1cccc2c1OCO2)NC[C@H](O)c1cc2ccccc2s1 ZINC000159062158 1424407922 /nfs/dbraw/zinc/40/79/22/1424407922.db2.gz INPXRPYGGBOWDE-HNNXBMFYSA-N 1 0 383.473 3.029 20 30 GGEDRO C[NH+]=C(NCc1cccc2c1OCO2)NC[C@@H](O)c1cc2ccccc2s1 ZINC000159062290 1424408091 /nfs/dbraw/zinc/40/80/91/1424408091.db2.gz INPXRPYGGBOWDE-OAHLLOKOSA-N 1 0 383.473 3.029 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000159316387 1424482128 /nfs/dbraw/zinc/48/21/28/1424482128.db2.gz ULHWPUVVKJLQIQ-IBGZPJMESA-N 1 0 383.492 3.166 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000159316517 1424482321 /nfs/dbraw/zinc/48/23/21/1424482321.db2.gz ULHWPUVVKJLQIQ-LJQANCHMSA-N 1 0 383.492 3.166 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](O)c2cc3ccccc3s2)cc1OC ZINC000159372564 1424496764 /nfs/dbraw/zinc/49/67/64/1424496764.db2.gz AAJFNJBCBLAOCP-MRXNPFEDSA-N 1 0 399.516 3.099 20 30 GGEDRO C=C[C@H](CC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000159588655 1424516846 /nfs/dbraw/zinc/51/68/46/1424516846.db2.gz LLOYIKCABLCNJU-LJQANCHMSA-N 1 0 399.579 3.289 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1C#N ZINC000159658950 1424521406 /nfs/dbraw/zinc/52/14/06/1424521406.db2.gz GZNQRGVYTKPAOD-XLIONFOSSA-N 1 0 398.507 3.039 20 30 GGEDRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)ccc1OCC(C)C ZINC000180089169 1429732505 /nfs/dbraw/zinc/73/25/05/1429732505.db2.gz VREMLFOAMYGFDI-HRAATJIYSA-N 1 0 375.513 3.435 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000159944480 1424554680 /nfs/dbraw/zinc/55/46/80/1424554680.db2.gz OZQDQUCRLXSXLD-DYESRHJHSA-N 1 0 392.503 3.387 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000159999635 1424561678 /nfs/dbraw/zinc/56/16/78/1424561678.db2.gz SNGHMFRSONTZBG-XLIONFOSSA-N 1 0 383.517 3.232 20 30 GGEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000160006939 1424561939 /nfs/dbraw/zinc/56/19/39/1424561939.db2.gz FJHZTIKGNISUKN-PGRDOPGGSA-N 1 0 397.544 3.373 20 30 GGEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160039515 1424565930 /nfs/dbraw/zinc/56/59/30/1424565930.db2.gz BEWPEAMDPYCULB-IBGZPJMESA-N 1 0 397.567 3.351 20 30 GGEDRO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000160049144 1424566904 /nfs/dbraw/zinc/56/69/04/1424566904.db2.gz FKIHWPLROZWMFW-SFHVURJKSA-N 1 0 386.540 3.399 20 30 GGEDRO C#CCOc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000160377467 1424598931 /nfs/dbraw/zinc/59/89/31/1424598931.db2.gz XFTYETMBBDJKTO-OAQYLSRUSA-N 1 0 390.483 3.417 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160447103 1424604666 /nfs/dbraw/zinc/60/46/66/1424604666.db2.gz BTRJNFHMAYLQSA-INIZCTEOSA-N 1 0 379.932 3.021 20 30 GGEDRO [NH2+]=C(NCCNc1ccccc1[N+](=O)[O-])Nc1ccccc1OC(F)(F)F ZINC000160619851 1424620299 /nfs/dbraw/zinc/62/02/99/1424620299.db2.gz IQNFPJHKFJMRHM-UHFFFAOYSA-N 1 0 383.330 3.332 20 30 GGEDRO C[NH+]=C(NCc1cccc2c1OCO2)NCc1ccccc1-n1nc(C)cc1C ZINC000160639106 1424621282 /nfs/dbraw/zinc/62/12/82/1424621282.db2.gz HNPHBWZWMISHKL-UHFFFAOYSA-N 1 0 391.475 3.083 20 30 GGEDRO [NH2+]=C(NCCC(=O)NCc1ccccc1)Nc1ccccc1OC(F)(F)F ZINC000160705574 1424628172 /nfs/dbraw/zinc/62/81/72/1424628172.db2.gz RAFSWXGDRPNDRI-UHFFFAOYSA-N 1 0 380.370 3.018 20 30 GGEDRO C[C@](O)(CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1F ZINC000160747757 1424631636 /nfs/dbraw/zinc/63/16/36/1424631636.db2.gz HIUFTDDHQIIXAK-INIZCTEOSA-N 1 0 389.324 3.498 20 30 GGEDRO [NH2+]=C(NCCCOCC1CCOCC1)Nc1ccccc1OC(F)(F)F ZINC000160740046 1424631650 /nfs/dbraw/zinc/63/16/50/1424631650.db2.gz CBMFNSIUZQOANJ-UHFFFAOYSA-N 1 0 375.391 3.145 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[N@@H+](C)C[C@@H]2C(C)C)c1=S ZINC000160908233 1424643438 /nfs/dbraw/zinc/64/34/38/1424643438.db2.gz UCFLLIYKMUOPAC-GOSISDBHSA-N 1 0 386.569 3.282 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000161195992 1424666794 /nfs/dbraw/zinc/66/67/94/1424666794.db2.gz CWVZOWXJODFWJM-LJQANCHMSA-N 1 0 384.568 3.466 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000161429128 1424688803 /nfs/dbraw/zinc/68/88/03/1424688803.db2.gz YJSCCMAFGBIOOF-FPOVZHCZSA-N 1 0 396.462 3.226 20 30 GGEDRO C[C@@H]1C[C@H](N(C)C(=O)CNc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000161486408 1424694432 /nfs/dbraw/zinc/69/44/32/1424694432.db2.gz ZJGNDNBDMJJGPO-XMSQKQJNSA-N 1 0 376.504 3.482 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000161526287 1424700604 /nfs/dbraw/zinc/70/06/04/1424700604.db2.gz ANINMUOAVBNPRB-SJORKVTESA-N 1 0 386.517 3.361 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(-c2ncn(C)n2)c1)C(C)C ZINC000161620120 1424726296 /nfs/dbraw/zinc/72/62/96/1424726296.db2.gz VYILTWMPESXXBC-IBGZPJMESA-N 1 0 382.512 3.302 20 30 GGEDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161643388 1424731554 /nfs/dbraw/zinc/73/15/54/1424731554.db2.gz KVUSCAHWNGQDQO-OAHLLOKOSA-N 1 0 381.455 3.068 20 30 GGEDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161643256 1424731981 /nfs/dbraw/zinc/73/19/81/1424731981.db2.gz KVUSCAHWNGQDQO-HNNXBMFYSA-N 1 0 381.455 3.068 20 30 GGEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161657213 1424734006 /nfs/dbraw/zinc/73/40/06/1424734006.db2.gz HXYLDSZLUCOBSP-KRWDZBQOSA-N 1 0 377.492 3.237 20 30 GGEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CN1Cc1ccccc1 ZINC000161671273 1424737056 /nfs/dbraw/zinc/73/70/56/1424737056.db2.gz ADOOAUQFEVFXCV-GCJKJVERSA-N 1 0 375.520 3.175 20 30 GGEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)OCCO2 ZINC000161685396 1424740366 /nfs/dbraw/zinc/74/03/66/1424740366.db2.gz DWXCIRPCUMURBQ-LJQANCHMSA-N 1 0 378.476 3.434 20 30 GGEDRO COc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1OC ZINC000161691985 1424742021 /nfs/dbraw/zinc/74/20/21/1424742021.db2.gz QPRJRNUPTVCERL-OAHLLOKOSA-N 1 0 396.491 3.299 20 30 GGEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000161717356 1424749527 /nfs/dbraw/zinc/74/95/27/1424749527.db2.gz CEWDDWXLMFWXAK-GCJKJVERSA-N 1 0 375.520 3.347 20 30 GGEDRO COCc1cc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000161734475 1424753839 /nfs/dbraw/zinc/75/38/39/1424753839.db2.gz YOFOMOFMVSWBSU-INIZCTEOSA-N 1 0 380.492 3.428 20 30 GGEDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000161785181 1424763699 /nfs/dbraw/zinc/76/36/99/1424763699.db2.gz RQROZJVBHDKRIQ-UHFFFAOYSA-N 1 0 382.464 3.171 20 30 GGEDRO COc1ccc(OC)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000161796330 1424766185 /nfs/dbraw/zinc/76/61/85/1424766185.db2.gz NIFCXFQAXRATIP-UHFFFAOYSA-N 1 0 382.464 3.171 20 30 GGEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000161881836 1424786917 /nfs/dbraw/zinc/78/69/17/1424786917.db2.gz QASQNVPDVDRQDF-INIZCTEOSA-N 1 0 382.489 3.430 20 30 GGEDRO C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000161899896 1424790836 /nfs/dbraw/zinc/79/08/36/1424790836.db2.gz QTIHFYROKCNDNK-UHFFFAOYSA-N 1 0 394.490 3.306 20 30 GGEDRO COc1ccc(OC)c(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180139135 1429754349 /nfs/dbraw/zinc/75/43/49/1429754349.db2.gz JBXFUZMRTBJUSL-UHFFFAOYSA-N 1 0 376.460 3.308 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000162031520 1424810417 /nfs/dbraw/zinc/81/04/17/1424810417.db2.gz OBIRJKODPOXHSM-UWJYYQICSA-N 1 0 392.503 3.244 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000162031401 1424810496 /nfs/dbraw/zinc/81/04/96/1424810496.db2.gz OBIRJKODPOXHSM-UTKZUKDTSA-N 1 0 392.503 3.244 20 30 GGEDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000162280530 1424833901 /nfs/dbraw/zinc/83/39/01/1424833901.db2.gz BSMMCYQGLMILHF-HXUWFJFHSA-N 1 0 394.519 3.163 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000162295969 1424835223 /nfs/dbraw/zinc/83/52/23/1424835223.db2.gz NURABJSRNUVEDA-UHFFFAOYSA-N 1 0 399.538 3.246 20 30 GGEDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162339541 1424839504 /nfs/dbraw/zinc/83/95/04/1424839504.db2.gz PONWKNTUTALUHN-LSDHHAIUSA-N 1 0 375.538 3.453 20 30 GGEDRO COc1cc(C)cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000162679396 1424879240 /nfs/dbraw/zinc/87/92/40/1424879240.db2.gz ILLGXJNVYMFVRY-UHFFFAOYSA-N 1 0 392.503 3.293 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000162850019 1424896809 /nfs/dbraw/zinc/89/68/09/1424896809.db2.gz CSWVFLZBMGOIRJ-SFHVURJKSA-N 1 0 384.480 3.147 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@H]1CCOC1 ZINC000163095440 1424939501 /nfs/dbraw/zinc/93/95/01/1424939501.db2.gz ZFKJWVDDVJNZKT-IRXDYDNUSA-N 1 0 392.503 3.181 20 30 GGEDRO C=CCN(CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)Cc1cccs1 ZINC000163241605 1424965361 /nfs/dbraw/zinc/96/53/61/1424965361.db2.gz QHWFUIJHUPOCEQ-UHFFFAOYSA-N 1 0 396.520 3.276 20 30 GGEDRO C=CCc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(O)c(OC)c1 ZINC000163909756 1425056954 /nfs/dbraw/zinc/05/69/54/1425056954.db2.gz UCHQSLYJERVHBF-UHFFFAOYSA-N 1 0 380.488 3.477 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(CC(=O)Nc2cccc(C)c2C)[C@@H](C)CC)CC1 ZINC000164041394 1425071062 /nfs/dbraw/zinc/07/10/62/1425071062.db2.gz MBWMXOVVUCXGNS-SFHVURJKSA-N 1 0 383.536 3.214 20 30 GGEDRO C[C@H](CCNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@H+](C)Cc1ccccc1 ZINC000164129853 1425079905 /nfs/dbraw/zinc/07/99/05/1425079905.db2.gz IDHCIZPCFKXUKQ-MRXNPFEDSA-N 1 0 389.496 3.027 20 30 GGEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000164197896 1425086390 /nfs/dbraw/zinc/08/63/90/1425086390.db2.gz UQTCIJJKTIGKCA-UHFFFAOYSA-N 1 0 382.464 3.002 20 30 GGEDRO CCCCN(C(=O)CNC(=O)c1ccc(C#N)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000164219203 1425088632 /nfs/dbraw/zinc/08/86/32/1425088632.db2.gz FTIHTBOBTIJQQZ-UHFFFAOYSA-N 1 0 398.551 3.226 20 30 GGEDRO COc1ccc2c(c1)CCC[C@@H]2CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000164307158 1425097384 /nfs/dbraw/zinc/09/73/84/1425097384.db2.gz XAVNOGAWAKFQPU-QGZVFWFLSA-N 1 0 383.492 3.237 20 30 GGEDRO COc1ccc2c(c1)CCC[C@H]2CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000164307268 1425097657 /nfs/dbraw/zinc/09/76/57/1425097657.db2.gz XAVNOGAWAKFQPU-KRWDZBQOSA-N 1 0 383.492 3.237 20 30 GGEDRO C=CCc1cc(OC)cc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1O ZINC000164337841 1425100670 /nfs/dbraw/zinc/10/06/70/1425100670.db2.gz LKOXLLSGBWXKPD-UHFFFAOYSA-N 1 0 387.911 3.496 20 30 GGEDRO C=CCc1cc(OC)cc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1O ZINC000164405007 1425107873 /nfs/dbraw/zinc/10/78/73/1425107873.db2.gz IMSNYOPYLANVCK-UHFFFAOYSA-N 1 0 396.516 3.456 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2n[nH]c(-c3ccc(C)cc3)n2)CC1 ZINC000164418079 1425109085 /nfs/dbraw/zinc/10/90/85/1425109085.db2.gz DYXABAJUTABAJA-UHFFFAOYSA-N 1 0 385.537 3.029 20 30 GGEDRO C=CCn1c(-c2ccccn2)nn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000164666572 1425133509 /nfs/dbraw/zinc/13/35/09/1425133509.db2.gz AFGFAAMUXPUMOO-WMZOPIPTSA-N 1 0 384.553 3.036 20 30 GGEDRO Cc1ccccc1C[N@@H+]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000164781875 1425142313 /nfs/dbraw/zinc/14/23/13/1425142313.db2.gz HTZKAVZZTXAWBE-UHFFFAOYSA-N 1 0 376.504 3.403 20 30 GGEDRO N#CCOc1ccccc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000170636471 1425269579 /nfs/dbraw/zinc/26/95/79/1425269579.db2.gz XAXMZSISDKBZCM-UHFFFAOYSA-N 1 0 377.488 3.370 20 30 GGEDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000170652751 1425278908 /nfs/dbraw/zinc/27/89/08/1425278908.db2.gz KFQPBZKNVMZJBU-KRWDZBQOSA-N 1 0 386.496 3.218 20 30 GGEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000170668549 1425287015 /nfs/dbraw/zinc/28/70/15/1425287015.db2.gz CECUFDFYIGFVGX-UHFFFAOYSA-N 1 0 379.460 3.334 20 30 GGEDRO COc1ccc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000170836131 1425360883 /nfs/dbraw/zinc/36/08/83/1425360883.db2.gz UJOIAZHLSHFABV-UHFFFAOYSA-N 1 0 398.482 3.022 20 30 GGEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000170841715 1425364767 /nfs/dbraw/zinc/36/47/67/1425364767.db2.gz ZJACXYLFGSUMAS-UHFFFAOYSA-N 1 0 396.466 3.006 20 30 GGEDRO CC1(C)COCCN1CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000170874412 1425376555 /nfs/dbraw/zinc/37/65/55/1425376555.db2.gz UUMVASAAZGCUSY-UHFFFAOYSA-N 1 0 379.504 3.338 20 30 GGEDRO CCOc1ccc(C2(CNC(=[NH2+])NCc3ccccc3OC)CCOCC2)cc1 ZINC000170910414 1425388439 /nfs/dbraw/zinc/38/84/39/1425388439.db2.gz INVHWEJGKINITF-UHFFFAOYSA-N 1 0 397.519 3.247 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NC[C@H]2CCCO[C@H]2c2ccccc2)cc1OC ZINC000170909097 1425388465 /nfs/dbraw/zinc/38/84/65/1425388465.db2.gz YPCVJSMPBZWVQP-KNQAVFIVSA-N 1 0 397.519 3.319 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCc1c(C)nn(Cc2ccccc2)c1C ZINC000170908849 1425388811 /nfs/dbraw/zinc/38/88/11/1425388811.db2.gz INFHSCDGPYDFEA-UHFFFAOYSA-N 1 0 377.492 3.161 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)CC1 ZINC000170949104 1425408413 /nfs/dbraw/zinc/40/84/13/1425408413.db2.gz ULDPYTVDGUTYLP-UHFFFAOYSA-N 1 0 382.483 3.189 20 30 GGEDRO COCC[N@H+](C)CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000171128608 1425495886 /nfs/dbraw/zinc/49/58/86/1425495886.db2.gz GLGRGRDSVKSOSZ-UHFFFAOYSA-N 1 0 383.517 3.159 20 30 GGEDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000171148650 1425508106 /nfs/dbraw/zinc/50/81/06/1425508106.db2.gz PTSQAZMGYGIWBI-UHFFFAOYSA-N 1 0 383.496 3.377 20 30 GGEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171149544 1425509520 /nfs/dbraw/zinc/50/95/20/1425509520.db2.gz WNQPINLDGMNWJC-UHFFFAOYSA-N 1 0 380.496 3.296 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C)O1 ZINC000171154003 1425511756 /nfs/dbraw/zinc/51/17/56/1425511756.db2.gz CJAZARCYOKEMIM-JZXOWHBKSA-N 1 0 387.528 3.220 20 30 GGEDRO C=C(Br)CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000171195931 1425534048 /nfs/dbraw/zinc/53/40/48/1425534048.db2.gz PWJKKLIPYKRHEJ-UHFFFAOYSA-N 1 0 380.330 3.245 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc(C#N)cc1 ZINC000171292312 1425598273 /nfs/dbraw/zinc/59/82/73/1425598273.db2.gz ICEOUHLVZUJBNR-UHFFFAOYSA-N 1 0 378.501 3.112 20 30 GGEDRO N#Cc1ccc(CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C2CC2)cc1 ZINC000171301985 1425604030 /nfs/dbraw/zinc/60/40/30/1425604030.db2.gz KCJFTLCJJGTMFD-UHFFFAOYSA-N 1 0 389.503 3.292 20 30 GGEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)n1cnc2ccccc21 ZINC000171445595 1425682099 /nfs/dbraw/zinc/68/20/99/1425682099.db2.gz MKZAAGOZAGGWJO-KRWDZBQOSA-N 1 0 375.476 3.059 20 30 GGEDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccccc3C#N)cc2F)CC1 ZINC000171520326 1425712972 /nfs/dbraw/zinc/71/29/72/1425712972.db2.gz ZUALNKOGOXBKBY-CSKARUKUSA-N 1 0 392.478 3.169 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000171554431 1425732292 /nfs/dbraw/zinc/73/22/92/1425732292.db2.gz GZHPNIGKLUWVTL-UHFFFAOYSA-N 1 0 385.430 3.424 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C(=O)NCCCC)cc2)CC1 ZINC000171556083 1425733713 /nfs/dbraw/zinc/73/37/13/1425733713.db2.gz DWYXGGJUOFOXRD-UHFFFAOYSA-N 1 0 386.540 3.056 20 30 GGEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171604560 1425756413 /nfs/dbraw/zinc/75/64/13/1425756413.db2.gz DHQWVGREFPOZIS-GOSISDBHSA-N 1 0 379.426 3.327 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)COc2ccccc2OCc2ccccc2)CC1 ZINC000171605918 1425756495 /nfs/dbraw/zinc/75/64/95/1425756495.db2.gz CUALUKIFOPOVQZ-UHFFFAOYSA-N 1 0 380.488 3.411 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000171621197 1425761641 /nfs/dbraw/zinc/76/16/41/1425761641.db2.gz IXWCIHGGVMAXAH-UHFFFAOYSA-N 1 0 398.551 3.018 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(COCCOC(C)C)c2)CC1 ZINC000171637115 1425768212 /nfs/dbraw/zinc/76/82/12/1425768212.db2.gz CRVQDQAKYOGHSZ-UHFFFAOYSA-N 1 0 375.513 3.400 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)CC1 ZINC000171636981 1425768334 /nfs/dbraw/zinc/76/83/34/1425768334.db2.gz BPDLWKAZGGRASK-UHFFFAOYSA-N 1 0 384.524 3.439 20 30 GGEDRO COc1cccc([C@H](C)N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000171705441 1425795450 /nfs/dbraw/zinc/79/54/50/1425795450.db2.gz PEGTZKOSOYJABR-SFHVURJKSA-N 1 0 392.503 3.274 20 30 GGEDRO COc1cccc([C@H](C)N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000171705614 1425795521 /nfs/dbraw/zinc/79/55/21/1425795521.db2.gz QSYSFYGHXVIENX-SFHVURJKSA-N 1 0 392.503 3.274 20 30 GGEDRO COc1cccc([C@H](C)[NH+]2CCN(CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000171706566 1425796438 /nfs/dbraw/zinc/79/64/38/1425796438.db2.gz JLMDSQJWYWTCTD-INIZCTEOSA-N 1 0 398.532 3.336 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000171714834 1425800923 /nfs/dbraw/zinc/80/09/23/1425800923.db2.gz ILMVABFBMRPGBJ-HNNXBMFYSA-N 1 0 385.487 3.330 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000171714868 1425800993 /nfs/dbraw/zinc/80/09/93/1425800993.db2.gz NWKUXFJAATUGGR-CYBMUJFWSA-N 1 0 396.318 3.113 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1 ZINC000171716393 1425801078 /nfs/dbraw/zinc/80/10/78/1425801078.db2.gz XMCLFPILVUQTJP-UHFFFAOYSA-N 1 0 378.398 3.271 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)CC1 ZINC000171717136 1425801585 /nfs/dbraw/zinc/80/15/85/1425801585.db2.gz PEEFJIXAPUQWDB-UHFFFAOYSA-N 1 0 387.915 3.424 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC000171716756 1425801649 /nfs/dbraw/zinc/80/16/49/1425801649.db2.gz ITZRDIYSJICTRO-UHFFFAOYSA-N 1 0 375.557 3.008 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)CC1 ZINC000171717770 1425801688 /nfs/dbraw/zinc/80/16/88/1425801688.db2.gz WJQCUDKNCILJGV-GOSISDBHSA-N 1 0 384.524 3.006 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC1 ZINC000171716503 1425801698 /nfs/dbraw/zinc/80/16/98/1425801698.db2.gz QSXUJQUZCOSRAD-UHFFFAOYSA-N 1 0 389.584 3.398 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 ZINC000171718037 1425802269 /nfs/dbraw/zinc/80/22/69/1425802269.db2.gz BMZZQJNITHOPCP-UHFFFAOYSA-N 1 0 398.528 3.041 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000171718986 1425802281 /nfs/dbraw/zinc/80/22/81/1425802281.db2.gz CZTZVBSDRMZSPJ-UHFFFAOYSA-N 1 0 388.899 3.479 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)CC1 ZINC000171720030 1425802699 /nfs/dbraw/zinc/80/26/99/1425802699.db2.gz RRRRAIFUSHYKSN-UHFFFAOYSA-N 1 0 378.398 3.271 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1 ZINC000171719596 1425802901 /nfs/dbraw/zinc/80/29/01/1425802901.db2.gz QHWIHNUZXAFUKS-UHFFFAOYSA-N 1 0 396.388 3.410 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)CC1 ZINC000171719547 1425802918 /nfs/dbraw/zinc/80/29/18/1425802918.db2.gz COVXIGHHWHIAQI-UHFFFAOYSA-N 1 0 387.505 3.111 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)CC1 ZINC000171720655 1425803446 /nfs/dbraw/zinc/80/34/46/1425803446.db2.gz OHGBLSWNOLJPFG-UHFFFAOYSA-N 1 0 385.537 3.073 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)CC1 ZINC000171723532 1425803909 /nfs/dbraw/zinc/80/39/09/1425803909.db2.gz IIEFZAOVUPEGIG-AWEZNQCLSA-N 1 0 385.430 3.422 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)COc2ccccc2C(F)(F)F)CC1 ZINC000171723534 1425804092 /nfs/dbraw/zinc/80/40/92/1425804092.db2.gz IIEFZAOVUPEGIG-CQSZACIVSA-N 1 0 385.430 3.422 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)CC1 ZINC000171724279 1425804105 /nfs/dbraw/zinc/80/41/05/1425804105.db2.gz PBHUAUOMYJQRTO-UHFFFAOYSA-N 1 0 384.549 3.348 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000171725890 1425804389 /nfs/dbraw/zinc/80/43/89/1425804389.db2.gz FFPPVTJNSHKTDO-UHFFFAOYSA-N 1 0 378.472 3.063 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](C)CC)CC1 ZINC000171727663 1425804578 /nfs/dbraw/zinc/80/45/78/1425804578.db2.gz GOBQJZAXWBMYPQ-BEFAXECRSA-N 1 0 391.943 3.251 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000171725959 1425804595 /nfs/dbraw/zinc/80/45/95/1425804595.db2.gz OSXHZFSFIJOZBQ-UHFFFAOYSA-N 1 0 386.496 3.211 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)CC1 ZINC000171727271 1425804673 /nfs/dbraw/zinc/80/46/73/1425804673.db2.gz XFULLTHEOFWYNY-UHFFFAOYSA-N 1 0 383.492 3.180 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 ZINC000171729031 1425805055 /nfs/dbraw/zinc/80/50/55/1425805055.db2.gz NYJGXJMWHJFGHI-IBGZPJMESA-N 1 0 383.536 3.121 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1 ZINC000171729017 1425805084 /nfs/dbraw/zinc/80/50/84/1425805084.db2.gz ZRQDRKVKDMWKEO-UHFFFAOYSA-N 1 0 393.413 3.056 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 ZINC000171729027 1425805298 /nfs/dbraw/zinc/80/52/98/1425805298.db2.gz NYJGXJMWHJFGHI-LJQANCHMSA-N 1 0 383.536 3.121 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)CC1 ZINC000171738122 1425807361 /nfs/dbraw/zinc/80/73/61/1425807361.db2.gz BLNFUBKFBOCZGO-UHFFFAOYSA-N 1 0 384.402 3.436 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(CCc2ccccc2)Cc2ccncc2)CC1 ZINC000171738635 1425807586 /nfs/dbraw/zinc/80/75/86/1425807586.db2.gz OJPVYNPXOOMUOO-UHFFFAOYSA-N 1 0 378.520 3.486 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CC1 ZINC000171741011 1425808562 /nfs/dbraw/zinc/80/85/62/1425808562.db2.gz UCOXQLCDFUEQHM-UHFFFAOYSA-N 1 0 392.931 3.498 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 ZINC000171741665 1425808764 /nfs/dbraw/zinc/80/87/64/1425808764.db2.gz QGKXHBFSFYHAAE-UHFFFAOYSA-N 1 0 376.888 3.004 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000171741871 1425809187 /nfs/dbraw/zinc/80/91/87/1425809187.db2.gz AFOQAZXFOQQESM-HXUWFJFHSA-N 1 0 375.488 3.167 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)CC1 ZINC000171741741 1425809220 /nfs/dbraw/zinc/80/92/20/1425809220.db2.gz KYHVWFUATOMFAQ-UHFFFAOYSA-N 1 0 384.524 3.331 20 30 GGEDRO N#CCOc1ccc(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000171765493 1425814421 /nfs/dbraw/zinc/81/44/21/1425814421.db2.gz QPFYGYNQYLCGPY-UHFFFAOYSA-N 1 0 377.488 3.160 20 30 GGEDRO Cn1cc(C[NH2+]Cc2ccc(OCC#N)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171769265 1425815831 /nfs/dbraw/zinc/81/58/31/1425815831.db2.gz MFLJUPCPYXRJKG-UHFFFAOYSA-N 1 0 377.404 3.187 20 30 GGEDRO N#Cc1cccc(OCCCCC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000171962794 1425862826 /nfs/dbraw/zinc/86/28/26/1425862826.db2.gz FYHXIVXTDPHMMZ-UHFFFAOYSA-N 1 0 392.503 3.283 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1CCN(c2ccc(C)cn2)CC1)C(C)C ZINC000171980496 1425866417 /nfs/dbraw/zinc/86/64/17/1425866417.db2.gz MFGAVBVDCRKCFO-OAQYLSRUSA-N 1 0 384.568 3.421 20 30 GGEDRO C=CCNC(=O)c1ccc(NCCCC[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000171985515 1425867693 /nfs/dbraw/zinc/86/76/93/1425867693.db2.gz ZIWGPZIZUBMRLT-UHFFFAOYSA-N 1 0 393.535 3.012 20 30 GGEDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(OCCCC#N)c3)C2=O)cc1 ZINC000172038623 1425880476 /nfs/dbraw/zinc/88/04/76/1425880476.db2.gz QSSFKFLHOWNOPX-QFIPXVFZSA-N 1 0 393.487 3.268 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)C1 ZINC000172054761 1425884066 /nfs/dbraw/zinc/88/40/66/1425884066.db2.gz SSQGDOYMLSVZSA-SJLPKXTDSA-N 1 0 389.544 3.373 20 30 GGEDRO C[C@@H]([NH2+]C1(CNC(=O)Cc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000172062066 1425886659 /nfs/dbraw/zinc/88/66/59/1425886659.db2.gz ZZANXXVHBPGHKL-GOSISDBHSA-N 1 0 377.488 3.117 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000172074876 1425890080 /nfs/dbraw/zinc/89/00/80/1425890080.db2.gz SVDHEKCYBCNWRE-UHFFFAOYSA-N 1 0 378.451 3.312 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OCC)[C@H](C)C1 ZINC000172112638 1425899421 /nfs/dbraw/zinc/89/94/21/1425899421.db2.gz MWEOGVSFJBRQOM-AEFFLSMTSA-N 1 0 388.512 3.215 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000172114580 1425900609 /nfs/dbraw/zinc/90/06/09/1425900609.db2.gz OEJPGWPMKZEWDS-KRWDZBQOSA-N 1 0 386.517 3.190 20 30 GGEDRO COc1cccc([C@@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000172120525 1425904098 /nfs/dbraw/zinc/90/40/98/1425904098.db2.gz AWYVYJQKLZQDQE-NRFANRHFSA-N 1 0 376.460 3.296 20 30 GGEDRO C[NH+](C)CC[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C(C)(C)C ZINC000172126486 1425907503 /nfs/dbraw/zinc/90/75/03/1425907503.db2.gz NGSHYJLKAJWQRB-FQEVSTJZSA-N 1 0 385.556 3.146 20 30 GGEDRO CCC[NH+]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000172337921 1426006132 /nfs/dbraw/zinc/00/61/32/1426006132.db2.gz ZNXHOTAVFOKMMU-UHFFFAOYSA-N 1 0 391.475 3.370 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1OC(F)F ZINC000172339601 1426007035 /nfs/dbraw/zinc/00/70/35/1426007035.db2.gz VBJCWLGNRIBTTK-UHFFFAOYSA-N 1 0 387.430 3.293 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000172340797 1426007060 /nfs/dbraw/zinc/00/70/60/1426007060.db2.gz PWVPFMOJGMTDIH-MRXNPFEDSA-N 1 0 378.476 3.051 20 30 GGEDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000172410516 1426029698 /nfs/dbraw/zinc/02/96/98/1426029698.db2.gz HFIAQUZFRXGVNR-UHFFFAOYSA-N 1 0 394.437 3.208 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172417011 1426034395 /nfs/dbraw/zinc/03/43/95/1426034395.db2.gz WYXNKPUDUPPQRU-UHFFFAOYSA-N 1 0 385.508 3.203 20 30 GGEDRO C=CCn1c(=S)n(CN2CCC[C@@H]2C[NH+]2CCCC2)nc1-c1cccnc1 ZINC000172485883 1426057034 /nfs/dbraw/zinc/05/70/34/1426057034.db2.gz HUNXSABHNYUCEN-GOSISDBHSA-N 1 0 384.553 3.180 20 30 GGEDRO Cc1nc(C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)ccc1C#N ZINC000172488734 1426057699 /nfs/dbraw/zinc/05/76/99/1426057699.db2.gz LWAVJEIYDDCLIC-UHFFFAOYSA-N 1 0 377.492 3.292 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172523062 1426070968 /nfs/dbraw/zinc/07/09/68/1426070968.db2.gz ZEAINNAAXDCEJQ-UHFFFAOYSA-N 1 0 386.565 3.451 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1cnn(C)c1)C(=S)N[C@H]1CCCC[C@H]1C ZINC000172580299 1426095960 /nfs/dbraw/zinc/09/59/60/1426095960.db2.gz QMLUEDQZARKCPA-QAPCUYQASA-O 1 0 385.557 3.377 20 30 GGEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172583672 1426097662 /nfs/dbraw/zinc/09/76/62/1426097662.db2.gz JVACNRGPBXXFJS-HNNXBMFYSA-N 1 0 386.565 3.386 20 30 GGEDRO COc1ccc(N2CCC[N@H+](CCOc3ccc(C#N)cc3OC)CC2)cc1 ZINC000172651559 1426127961 /nfs/dbraw/zinc/12/79/61/1426127961.db2.gz OUJULBPJCYWKBH-UHFFFAOYSA-N 1 0 381.476 3.167 20 30 GGEDRO N#Cc1ccc(N2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)nc1 ZINC000172651891 1426128176 /nfs/dbraw/zinc/12/81/76/1426128176.db2.gz MUVZHJSNXVQXBX-UHFFFAOYSA-N 1 0 394.866 3.021 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000172674265 1426137658 /nfs/dbraw/zinc/13/76/58/1426137658.db2.gz YMBFIZUYKGHJIQ-QGZVFWFLSA-N 1 0 389.546 3.119 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000172675268 1426138295 /nfs/dbraw/zinc/13/82/95/1426138295.db2.gz OTHBNOVQVHSNQD-UHFFFAOYSA-N 1 0 382.489 3.184 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000172691686 1426144866 /nfs/dbraw/zinc/14/48/66/1426144866.db2.gz QMRBCKNNPAYGBF-NRFANRHFSA-N 1 0 398.551 3.323 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000172693840 1426146492 /nfs/dbraw/zinc/14/64/92/1426146492.db2.gz CKZVBCSXIBJKLQ-QGZVFWFLSA-N 1 0 388.487 3.076 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000172700072 1426150127 /nfs/dbraw/zinc/15/01/27/1426150127.db2.gz NLEAGFMYVKGCKB-LJQANCHMSA-N 1 0 392.503 3.395 20 30 GGEDRO Cc1cc2c(cc1C)O[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C2 ZINC000172899495 1426245965 /nfs/dbraw/zinc/24/59/65/1426245965.db2.gz AWNYBHCLVUTKHG-JOCHJYFZSA-N 1 0 377.488 3.069 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000173101918 1426342697 /nfs/dbraw/zinc/34/26/97/1426342697.db2.gz VNPUMKLWMKRWET-LJQANCHMSA-N 1 0 387.524 3.062 20 30 GGEDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000173210465 1426395826 /nfs/dbraw/zinc/39/58/26/1426395826.db2.gz ZYHKXTDHNDLEKW-UHFFFAOYSA-N 1 0 396.466 3.456 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CC1 ZINC000173225472 1426410190 /nfs/dbraw/zinc/41/01/90/1426410190.db2.gz OSAPPIBZUZLPJR-UHFFFAOYSA-N 1 0 397.479 3.298 20 30 GGEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC3(C#N)CCCCC3)ccc2NC1=O ZINC000173228945 1426413063 /nfs/dbraw/zinc/41/30/63/1426413063.db2.gz UNSCNWXVKDCXFU-RVKKMQEKSA-N 1 0 398.507 3.178 20 30 GGEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)ccc2NC1=O ZINC000173229100 1426413425 /nfs/dbraw/zinc/41/34/25/1426413425.db2.gz AISRXKNGLBGBAY-CKFHNAJUSA-N 1 0 392.459 3.346 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173262280 1426440705 /nfs/dbraw/zinc/44/07/05/1426440705.db2.gz DZFXZEZNKOLCPE-IBGZPJMESA-N 1 0 385.508 3.107 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(ccn3CC(C)C)c2)CC1 ZINC000173271606 1426450366 /nfs/dbraw/zinc/45/03/66/1426450366.db2.gz CJIONFJXFMQKKU-UHFFFAOYSA-N 1 0 382.508 3.002 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC000173272739 1426451383 /nfs/dbraw/zinc/45/13/83/1426451383.db2.gz FOOXSTOUONHEMI-UHFFFAOYSA-N 1 0 393.487 3.492 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1 ZINC000173274167 1426452562 /nfs/dbraw/zinc/45/25/62/1426452562.db2.gz YJNGMIQHQWJCOQ-UHFFFAOYSA-N 1 0 393.487 3.492 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000173273993 1426452716 /nfs/dbraw/zinc/45/27/16/1426452716.db2.gz BXNHSNMSFPMCQU-UHFFFAOYSA-N 1 0 377.444 3.291 20 30 GGEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccc(F)cc1 ZINC000173279782 1426456464 /nfs/dbraw/zinc/45/64/64/1426456464.db2.gz SGNKQTNMMLXRKS-QGZVFWFLSA-N 1 0 398.482 3.238 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173284077 1426462757 /nfs/dbraw/zinc/46/27/57/1426462757.db2.gz MBLQWUAQKNMDQX-HXUWFJFHSA-N 1 0 396.535 3.094 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccn(CCC#N)n2)C1 ZINC000173333631 1426514943 /nfs/dbraw/zinc/51/49/43/1426514943.db2.gz FAIFNZXYWBHECZ-KRWDZBQOSA-N 1 0 380.496 3.350 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccn(CCC#N)n2)C1 ZINC000173333615 1426515408 /nfs/dbraw/zinc/51/54/08/1426515408.db2.gz FAIFNZXYWBHECZ-QGZVFWFLSA-N 1 0 380.496 3.350 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000173334894 1426516229 /nfs/dbraw/zinc/51/62/29/1426516229.db2.gz KCVKWGUJIDRTNM-QGZVFWFLSA-N 1 0 380.496 3.493 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000173338036 1426518099 /nfs/dbraw/zinc/51/80/99/1426518099.db2.gz QQGCASMYELEMIS-MJGOQNOKSA-N 1 0 380.496 3.314 20 30 GGEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000173338053 1426518314 /nfs/dbraw/zinc/51/83/14/1426518314.db2.gz QQGCASMYELEMIS-HKUYNNGSSA-N 1 0 380.496 3.314 20 30 GGEDRO C=CCn1c(-c2cccnc2)nn(CN2CC[C@@H](C[N@@H+](C)CCC)C2)c1=S ZINC000173445258 1426625353 /nfs/dbraw/zinc/62/53/53/1426625353.db2.gz XQYUAQMEAGAUSK-KRWDZBQOSA-N 1 0 386.569 3.283 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173598474 1426765702 /nfs/dbraw/zinc/76/57/02/1426765702.db2.gz HPIQKXSEOCMJQF-RTBURBONSA-N 1 0 375.582 3.459 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173600348 1426768931 /nfs/dbraw/zinc/76/89/31/1426768931.db2.gz ZONOYGMTLNHHNT-LEWJYISDSA-N 1 0 382.552 3.438 20 30 GGEDRO COc1ccc(OCC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c([N+](=O)[O-])c1 ZINC000173667139 1426814729 /nfs/dbraw/zinc/81/47/29/1426814729.db2.gz HHIGSRTZGLWXIO-UHFFFAOYSA-N 1 0 397.431 3.397 20 30 GGEDRO CO[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000173681194 1426819646 /nfs/dbraw/zinc/81/96/46/1426819646.db2.gz WVXGZDIQWVFEPG-OAQYLSRUSA-N 1 0 398.482 3.158 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173699588 1426824749 /nfs/dbraw/zinc/82/47/49/1426824749.db2.gz KJYGWKURWCBGEO-HXUWFJFHSA-N 1 0 393.487 3.069 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000173784326 1426850583 /nfs/dbraw/zinc/85/05/83/1426850583.db2.gz UBHLVCYIONGDLW-UHFFFAOYSA-N 1 0 382.439 3.019 20 30 GGEDRO CC[NH+](CC)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173791300 1426852335 /nfs/dbraw/zinc/85/23/35/1426852335.db2.gz YLFQLIFMVYUJEU-INIZCTEOSA-N 1 0 388.581 3.491 20 30 GGEDRO CC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000173906102 1426887180 /nfs/dbraw/zinc/88/71/80/1426887180.db2.gz ARLSZSACHBTDFN-HZPDHXFCSA-N 1 0 388.581 3.347 20 30 GGEDRO CC[N@@H+](CC(=O)Nc1sccc1C#N)CC1CCN(c2ccccn2)CC1 ZINC000173971934 1426916761 /nfs/dbraw/zinc/91/67/61/1426916761.db2.gz FPRRETIFTMOYGJ-UHFFFAOYSA-N 1 0 383.521 3.192 20 30 GGEDRO COc1ccc([C@H](CNC(=O)NCc2cc(C#N)ccc2F)[NH+]2CCCC2)cc1 ZINC000173972185 1426917438 /nfs/dbraw/zinc/91/74/38/1426917438.db2.gz WTKXYDLWXHGPHK-NRFANRHFSA-N 1 0 396.466 3.342 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000173974369 1426919714 /nfs/dbraw/zinc/91/97/14/1426919714.db2.gz SWCBXDALWWYHGG-GOSISDBHSA-N 1 0 392.503 3.070 20 30 GGEDRO Cc1oc(NC(=O)CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000173996287 1426933428 /nfs/dbraw/zinc/93/34/28/1426933428.db2.gz BKSUBTXXDUEAJG-INIZCTEOSA-N 1 0 380.492 3.303 20 30 GGEDRO Cc1oc(NC(=O)CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000173996302 1426933662 /nfs/dbraw/zinc/93/36/62/1426933662.db2.gz BKSUBTXXDUEAJG-MRXNPFEDSA-N 1 0 380.492 3.303 20 30 GGEDRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(=O)c1cccc(F)c1 ZINC000174017212 1426945780 /nfs/dbraw/zinc/94/57/80/1426945780.db2.gz QMHNDBJOBNRDDW-KRWDZBQOSA-N 1 0 395.478 3.497 20 30 GGEDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174020583 1426948725 /nfs/dbraw/zinc/94/87/25/1426948725.db2.gz IWCMBDDFCRNDLD-KRWDZBQOSA-N 1 0 383.517 3.310 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)NC[C@@H]1CCc2ccccc21 ZINC000174059139 1426979068 /nfs/dbraw/zinc/97/90/68/1426979068.db2.gz BCVTVCSFCKPRIO-FQEVSTJZSA-N 1 0 388.519 3.279 20 30 GGEDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000174088644 1426996147 /nfs/dbraw/zinc/99/61/47/1426996147.db2.gz RCECONKELVJRHO-CHWSQXEVSA-N 1 0 384.402 3.198 20 30 GGEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174098974 1427001215 /nfs/dbraw/zinc/00/12/15/1427001215.db2.gz VWFSEHQTRSIHLI-OAHLLOKOSA-N 1 0 384.402 3.152 20 30 GGEDRO CCOc1cccc(NC(=S)C(C(=O)c2cnn(C)c2)[n+]2ccc(C)cc2)c1 ZINC000174102814 1427003388 /nfs/dbraw/zinc/00/33/88/1427003388.db2.gz YWBCXGIQEBNFSF-UHFFFAOYSA-O 1 0 395.508 3.466 20 30 GGEDRO CC(C)CO[C@H](C)c1noc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000174107271 1427005286 /nfs/dbraw/zinc/00/52/86/1427005286.db2.gz ZFWWQNFJNHWDGV-SVZNOHIVSA-N 1 0 388.468 3.191 20 30 GGEDRO Cc1cc(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)c2ccccc2n1 ZINC000174126693 1427013051 /nfs/dbraw/zinc/01/30/51/1427013051.db2.gz YGAWKULUKNGMRU-UHFFFAOYSA-N 1 0 390.487 3.341 20 30 GGEDRO NC(=[NH+]OCc1cccc(OC(F)F)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174127045 1427013439 /nfs/dbraw/zinc/01/34/39/1427013439.db2.gz OQDVZVDDESIBMJ-UHFFFAOYSA-N 1 0 391.418 3.086 20 30 GGEDRO Cc1ccc(OCCCO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000174127523 1427013577 /nfs/dbraw/zinc/01/35/77/1427013577.db2.gz GYBPDODYTHVRAK-UHFFFAOYSA-N 1 0 397.519 3.371 20 30 GGEDRO NC(=[NH+]OCc1coc(-c2cccs2)n1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174127104 1427013689 /nfs/dbraw/zinc/01/36/89/1427013689.db2.gz GSOTWVIAPVJZJK-UHFFFAOYSA-N 1 0 398.488 3.201 20 30 GGEDRO CCOc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000174128290 1427013783 /nfs/dbraw/zinc/01/37/83/1427013783.db2.gz STVKPMJFUUCIAO-UHFFFAOYSA-N 1 0 396.491 3.351 20 30 GGEDRO NC(=[NH+]OCc1ccccc1OC(F)F)c1ccc(N2CCC(O)CC2)cc1 ZINC000174127632 1427013822 /nfs/dbraw/zinc/01/38/22/1427013822.db2.gz JWCLPKNQCCOMMX-UHFFFAOYSA-N 1 0 391.418 3.086 20 30 GGEDRO NC(=[NH+]OCc1coc(-c2ccccc2)n1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174127168 1427013889 /nfs/dbraw/zinc/01/38/89/1427013889.db2.gz GYTUIZDJJUDYQQ-UHFFFAOYSA-N 1 0 392.459 3.140 20 30 GGEDRO C[C@H](NC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000174129572 1427014214 /nfs/dbraw/zinc/01/42/14/1427014214.db2.gz CKXOVSZLTQWTHH-HNNXBMFYSA-N 1 0 386.521 3.253 20 30 GGEDRO CN(Cc1ccc(F)cc1)C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000174128530 1427014293 /nfs/dbraw/zinc/01/42/93/1427014293.db2.gz PIDKKRJNPZGDGE-UHFFFAOYSA-N 1 0 398.482 3.112 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3CCCOC3)sc2C1 ZINC000174148477 1427021251 /nfs/dbraw/zinc/02/12/51/1427021251.db2.gz AWRXBVMVBCFROH-GJZGRUSLSA-N 1 0 375.538 3.432 20 30 GGEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)CC2)c1 ZINC000174191446 1427042162 /nfs/dbraw/zinc/04/21/62/1427042162.db2.gz CCGZAQWZWYIUIM-HXUWFJFHSA-N 1 0 396.535 3.376 20 30 GGEDRO COc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cc1C#N ZINC000174255996 1427072043 /nfs/dbraw/zinc/07/20/43/1427072043.db2.gz ZPHRRTKYXIVXMM-HXUWFJFHSA-N 1 0 385.895 3.383 20 30 GGEDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000174304104 1427093053 /nfs/dbraw/zinc/09/30/53/1427093053.db2.gz MCWKYJAIEWBWOH-INIZCTEOSA-N 1 0 380.366 3.115 20 30 GGEDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000174306345 1427094169 /nfs/dbraw/zinc/09/41/69/1427094169.db2.gz YETJDVFEZYYKPT-IRXDYDNUSA-N 1 0 393.487 3.106 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000174325751 1427102263 /nfs/dbraw/zinc/10/22/63/1427102263.db2.gz MFAQEGCTBCZJDY-UHFFFAOYSA-N 1 0 393.896 3.261 20 30 GGEDRO Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC000174326194 1427103076 /nfs/dbraw/zinc/10/30/76/1427103076.db2.gz GHFAPRJXPJHIGN-UHFFFAOYSA-N 1 0 385.489 3.142 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000174401115 1427140473 /nfs/dbraw/zinc/14/04/73/1427140473.db2.gz YANATOAVGWTUCY-SFTDATJTSA-N 1 0 394.523 3.012 20 30 GGEDRO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cc(Br)ccc1O ZINC000174426818 1427151364 /nfs/dbraw/zinc/15/13/64/1427151364.db2.gz UVAXWKXOQYPFAZ-KRWDZBQOSA-N 1 0 382.302 3.031 20 30 GGEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC1(SC)CCOCC1 ZINC000174563037 1427226282 /nfs/dbraw/zinc/22/62/82/1427226282.db2.gz LFUWRACSXSIVKL-UHFFFAOYSA-N 1 0 384.339 3.463 20 30 GGEDRO C#CCCOc1ccc(CNc2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000174653025 1427290012 /nfs/dbraw/zinc/29/00/12/1427290012.db2.gz YRZODTAJTAAJBA-UHFFFAOYSA-N 1 0 393.531 3.327 20 30 GGEDRO CCN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000174660685 1427293748 /nfs/dbraw/zinc/29/37/48/1427293748.db2.gz CLGRVYBNYNQXCQ-IBGZPJMESA-N 1 0 391.519 3.075 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000174682131 1427306985 /nfs/dbraw/zinc/30/69/85/1427306985.db2.gz VSMCJFVLLWTNMC-UHFFFAOYSA-N 1 0 376.932 3.276 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000174682505 1427307631 /nfs/dbraw/zinc/30/76/31/1427307631.db2.gz NXEUSTCWQLFAGQ-UHFFFAOYSA-N 1 0 376.932 3.276 20 30 GGEDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)cc1 ZINC000174840594 1427398564 /nfs/dbraw/zinc/39/85/64/1427398564.db2.gz JDEHRWHMJRHUHD-GOSISDBHSA-N 1 0 377.554 3.315 20 30 GGEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc2)CC1 ZINC000174840966 1427399463 /nfs/dbraw/zinc/39/94/63/1427399463.db2.gz VPGSFJZDMQFLHH-HXUWFJFHSA-N 1 0 382.895 3.477 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000174843971 1427401434 /nfs/dbraw/zinc/40/14/34/1427401434.db2.gz FVFNDILSUBBRHN-UHFFFAOYSA-N 1 0 383.414 3.109 20 30 GGEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000174930459 1427451280 /nfs/dbraw/zinc/45/12/80/1427451280.db2.gz HIUMCACRGPGHIX-SJLPKXTDSA-N 1 0 381.476 3.363 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1C#N ZINC000174938962 1427455897 /nfs/dbraw/zinc/45/58/97/1427455897.db2.gz OJTJRIUPCJRTSC-MRXNPFEDSA-N 1 0 378.476 3.051 20 30 GGEDRO CCC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000174947711 1427460798 /nfs/dbraw/zinc/46/07/98/1427460798.db2.gz HVYYWJNIDCJGMT-MRXNPFEDSA-N 1 0 388.581 3.491 20 30 GGEDRO C[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C2(CCCCC2)C1 ZINC000175063341 1427526465 /nfs/dbraw/zinc/52/64/65/1427526465.db2.gz IDYSULYUIVMTBS-UHFFFAOYSA-N 1 0 386.565 3.387 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1Cl ZINC000175088433 1427540031 /nfs/dbraw/zinc/54/00/31/1427540031.db2.gz SCIYTMFZBQKYHR-UHFFFAOYSA-N 1 0 398.894 3.049 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC000175164254 1427576642 /nfs/dbraw/zinc/57/66/42/1427576642.db2.gz NTORVJUOHIFHTN-NRFANRHFSA-N 1 0 390.487 3.171 20 30 GGEDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000175268848 1427636608 /nfs/dbraw/zinc/63/66/08/1427636608.db2.gz RYKYICCJIPFUHI-AYPBNUJASA-N 1 0 388.471 3.161 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COc1ccccc1C#N ZINC000175286736 1427648628 /nfs/dbraw/zinc/64/86/28/1427648628.db2.gz ATQGPXYFUPBIIY-HXUWFJFHSA-N 1 0 377.488 3.308 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(/C=N/OC)cc1 ZINC000175304963 1427664698 /nfs/dbraw/zinc/66/46/98/1427664698.db2.gz GQPNLBLZHJBVTQ-XQNSMLJCSA-N 1 0 396.491 3.070 20 30 GGEDRO Cc1ccc(CNC(=O)C2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc1 ZINC000175315094 1427670906 /nfs/dbraw/zinc/67/09/06/1427670906.db2.gz DCDPGIIUKSHBIG-UHFFFAOYSA-N 1 0 377.488 3.274 20 30 GGEDRO CC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000175322353 1427677481 /nfs/dbraw/zinc/67/74/81/1427677481.db2.gz XZCHTLSIRYXWGX-NRFANRHFSA-N 1 0 377.492 3.322 20 30 GGEDRO Cc1ccc(CNC(=O)C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000175329076 1427682548 /nfs/dbraw/zinc/68/25/48/1427682548.db2.gz HPLBDDWZAXETGD-UHFFFAOYSA-N 1 0 377.488 3.274 20 30 GGEDRO N#C[C@H]1CN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC000175348335 1427696544 /nfs/dbraw/zinc/69/65/44/1427696544.db2.gz XWLNAZSAQTZEIL-QFIPXVFZSA-N 1 0 392.503 3.013 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175359127 1427704196 /nfs/dbraw/zinc/70/41/96/1427704196.db2.gz PAJNZOCGMCVJLA-INIZCTEOSA-N 1 0 389.569 3.086 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000175392703 1427728722 /nfs/dbraw/zinc/72/87/22/1427728722.db2.gz FTDQSJUXJKBVRU-UHFFFAOYSA-N 1 0 380.467 3.470 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000175495552 1427788587 /nfs/dbraw/zinc/78/85/87/1427788587.db2.gz QKGIOIGMXGNVSR-GHTZIAJQSA-N 1 0 392.503 3.441 20 30 GGEDRO N#CCSCC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175535050 1427806857 /nfs/dbraw/zinc/80/68/57/1427806857.db2.gz SQACNMOSHBMOKL-MRXNPFEDSA-N 1 0 385.455 3.156 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1 ZINC000175577224 1427820202 /nfs/dbraw/zinc/82/02/02/1427820202.db2.gz JFHRROUTSNOOGS-FQEVSTJZSA-N 1 0 384.524 3.449 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000175576923 1427820245 /nfs/dbraw/zinc/82/02/45/1427820245.db2.gz CETYDDWKIGHWCD-SFHVURJKSA-N 1 0 384.524 3.306 20 30 GGEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175602083 1427828208 /nfs/dbraw/zinc/82/82/08/1427828208.db2.gz NQJOQNCDYLDUML-UHFFFAOYSA-N 1 0 389.499 3.415 20 30 GGEDRO CCO[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000175667870 1427850526 /nfs/dbraw/zinc/85/05/26/1427850526.db2.gz HTLKVGCDODXLQP-NHCUHLMSSA-N 1 0 396.535 3.123 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000175683326 1427855633 /nfs/dbraw/zinc/85/56/33/1427855633.db2.gz ONJGXQSFBZFWBN-UHFFFAOYSA-N 1 0 379.357 3.319 20 30 GGEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000175687906 1427857805 /nfs/dbraw/zinc/85/78/05/1427857805.db2.gz OKCGNLSZNCHFLX-UHFFFAOYSA-N 1 0 396.438 3.171 20 30 GGEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000175703179 1427864062 /nfs/dbraw/zinc/86/40/62/1427864062.db2.gz OBSMFBDHDAGCMF-UHFFFAOYSA-N 1 0 377.488 3.254 20 30 GGEDRO C[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)N1CC[NH+](C)CC1 ZINC000175705397 1427865115 /nfs/dbraw/zinc/86/51/15/1427865115.db2.gz DPCDARQSYPPGHI-QGZVFWFLSA-N 1 0 394.544 3.075 20 30 GGEDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000175710875 1427867025 /nfs/dbraw/zinc/86/70/25/1427867025.db2.gz QKMDHAKDZULFHF-UHFFFAOYSA-N 1 0 382.464 3.440 20 30 GGEDRO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000175813825 1427905702 /nfs/dbraw/zinc/90/57/02/1427905702.db2.gz CJHXKULZMJCPCH-IRLDBZIGSA-N 1 0 380.536 3.050 20 30 GGEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000175813844 1427906256 /nfs/dbraw/zinc/90/62/56/1427906256.db2.gz CJHXKULZMJCPCH-RBBKRZOGSA-N 1 0 380.536 3.050 20 30 GGEDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)C1(C#N)CCCCC1 ZINC000175814822 1427906455 /nfs/dbraw/zinc/90/64/55/1427906455.db2.gz SFCUDNLGZJEZJM-SJORKVTESA-N 1 0 375.538 3.321 20 30 GGEDRO C[C@](C#N)(NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)C1CC1 ZINC000175859935 1427936996 /nfs/dbraw/zinc/93/69/96/1427936996.db2.gz YZSKORQKMRRXNB-FUHIMQAGSA-N 1 0 375.538 3.225 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc([S@](C)=O)c(F)c1)C(C)C ZINC000175862125 1427939183 /nfs/dbraw/zinc/93/91/83/1427939183.db2.gz RFRWJQMFWKVQJJ-QUGAMOGWSA-N 1 0 381.517 3.383 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175865512 1427940847 /nfs/dbraw/zinc/94/08/47/1427940847.db2.gz CVROZJYFSWUBIQ-ZWKOTPCHSA-N 1 0 388.537 3.072 20 30 GGEDRO N#CC1CCN(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000175909220 1427965473 /nfs/dbraw/zinc/96/54/73/1427965473.db2.gz CYOXGEWUMCLVRX-UHFFFAOYSA-N 1 0 384.524 3.003 20 30 GGEDRO CC(C)C1CCC([NH+]2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)CC1 ZINC000175927194 1427977597 /nfs/dbraw/zinc/97/75/97/1427977597.db2.gz LQOHHMNFAQWUPC-LZBANZJXSA-N 1 0 385.552 3.130 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(SCC#N)c1 ZINC000175938102 1427984211 /nfs/dbraw/zinc/98/42/11/1427984211.db2.gz MVRYNLVPLVYHGN-UHFFFAOYSA-N 1 0 378.501 3.378 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(SCC#N)c2)[C@H](C)C1 ZINC000175976940 1428009358 /nfs/dbraw/zinc/00/93/58/1428009358.db2.gz XARKFTJTOXCASC-VQIMIIECSA-N 1 0 375.538 3.169 20 30 GGEDRO N#CCSc1cccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000176002804 1428021801 /nfs/dbraw/zinc/02/18/01/1428021801.db2.gz GHXJVIWEXHHWGE-UHFFFAOYSA-N 1 0 394.544 3.244 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)C(C)C ZINC000176048940 1428049943 /nfs/dbraw/zinc/04/99/43/1428049943.db2.gz AWDOUHAFVAEPQQ-IBGZPJMESA-N 1 0 390.503 3.348 20 30 GGEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000176051615 1428051308 /nfs/dbraw/zinc/05/13/08/1428051308.db2.gz CHHAYEZYOOUEKT-KRWDZBQOSA-N 1 0 381.442 3.477 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176051908 1428051599 /nfs/dbraw/zinc/05/15/99/1428051599.db2.gz SXRZTMKAEXYCPF-UHFFFAOYSA-N 1 0 393.491 3.161 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176060839 1428060032 /nfs/dbraw/zinc/06/00/32/1428060032.db2.gz AFHUJWOVAZMYMU-UHFFFAOYSA-N 1 0 393.491 3.163 20 30 GGEDRO Cn1cc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180198321 1429798515 /nfs/dbraw/zinc/79/85/15/1429798515.db2.gz WWMAZRDVOZVSFY-UHFFFAOYSA-N 1 0 399.498 3.371 20 30 GGEDRO C=CCSCC[NH2+][C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000180220421 1429805793 /nfs/dbraw/zinc/80/57/93/1429805793.db2.gz YGTBLWNDYARRHJ-FQEVSTJZSA-N 1 0 384.501 3.282 20 30 GGEDRO Cn1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180284055 1429824201 /nfs/dbraw/zinc/82/42/01/1429824201.db2.gz SQWHQUWGYXSMKT-DENIHFKCSA-N 1 0 375.520 3.407 20 30 GGEDRO Cn1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180284075 1429824401 /nfs/dbraw/zinc/82/44/01/1429824401.db2.gz SQWHQUWGYXSMKT-KNQAVFIVSA-N 1 0 375.520 3.407 20 30 GGEDRO COC(=O)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000180341072 1429840200 /nfs/dbraw/zinc/84/02/00/1429840200.db2.gz LRAOEKYBXUKTIO-UHFFFAOYSA-N 1 0 390.443 3.044 20 30 GGEDRO Cn1cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180349692 1429842606 /nfs/dbraw/zinc/84/26/06/1429842606.db2.gz ICUWAOHNQNEJDA-FQEVSTJZSA-N 1 0 399.498 3.097 20 30 GGEDRO Cn1cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180349710 1429842798 /nfs/dbraw/zinc/84/27/98/1429842798.db2.gz ICUWAOHNQNEJDA-HXUWFJFHSA-N 1 0 399.498 3.097 20 30 GGEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000180398622 1429856986 /nfs/dbraw/zinc/85/69/86/1429856986.db2.gz IERDLPDZCRNVNL-HNNXBMFYSA-N 1 0 398.463 3.262 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccccc3OCC#N)cc2)CC1 ZINC000180422331 1429864977 /nfs/dbraw/zinc/86/49/77/1429864977.db2.gz FPSNZBKNXJLNGK-UHFFFAOYSA-N 1 0 378.476 3.372 20 30 GGEDRO CCOc1ccnc(N2CCC[N@H+](Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000180605847 1429929553 /nfs/dbraw/zinc/92/95/53/1429929553.db2.gz RFOUHQWDVXFDCQ-UHFFFAOYSA-N 1 0 395.507 3.270 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000180635138 1429945653 /nfs/dbraw/zinc/94/56/53/1429945653.db2.gz DDVJVQOLXIBNDZ-LJQANCHMSA-N 1 0 379.460 3.445 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654934 1429959197 /nfs/dbraw/zinc/95/91/97/1429959197.db2.gz ZHIGBSSURSGBOQ-WIYYLYMNSA-N 1 0 398.507 3.057 20 30 GGEDRO CC(C)(C#N)c1ccccc1CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000180733215 1430006573 /nfs/dbraw/zinc/00/65/73/1430006573.db2.gz GEJAFODEYBNLKG-BGYRXZFFSA-N 1 0 387.483 3.105 20 30 GGEDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 ZINC000180734433 1430007014 /nfs/dbraw/zinc/00/70/14/1430007014.db2.gz YRDJYUFQCUAZCV-UHFFFAOYSA-N 1 0 384.524 3.166 20 30 GGEDRO CC[C@@H](C)Oc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccn1 ZINC000180767496 1430028475 /nfs/dbraw/zinc/02/84/75/1430028475.db2.gz RNOMQDXVXXQVOC-QGZVFWFLSA-N 1 0 380.492 3.335 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180899676 1430097796 /nfs/dbraw/zinc/09/77/96/1430097796.db2.gz HPXZAXIZNGRTRO-UHFFFAOYSA-N 1 0 382.439 3.271 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2nc3ccc(Br)cc3n2CC)CC1 ZINC000180921080 1430116276 /nfs/dbraw/zinc/11/62/76/1430116276.db2.gz WUQRQLNBRXBUCI-UHFFFAOYSA-N 1 0 389.297 3.102 20 30 GGEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000180967553 1430141538 /nfs/dbraw/zinc/14/15/38/1430141538.db2.gz WBJNGTODGAFWEY-INIZCTEOSA-N 1 0 375.538 3.035 20 30 GGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000180969019 1430141988 /nfs/dbraw/zinc/14/19/88/1430141988.db2.gz BFCHMNXZGHONGF-HOTGVXAUSA-N 1 0 396.553 3.047 20 30 GGEDRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000180968448 1430142387 /nfs/dbraw/zinc/14/23/87/1430142387.db2.gz YSRZAOATRWVSPJ-QGZVFWFLSA-N 1 0 381.524 3.244 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC000181034610 1430178516 /nfs/dbraw/zinc/17/85/16/1430178516.db2.gz SICZDGSYDFKENX-UHFFFAOYSA-N 1 0 399.461 3.289 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000181160682 1430232274 /nfs/dbraw/zinc/23/22/74/1430232274.db2.gz FIVVHDVFUBQRNF-HNNXBMFYSA-N 1 0 380.895 3.007 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1ccccc1C#N ZINC000181269243 1430259907 /nfs/dbraw/zinc/25/99/07/1430259907.db2.gz SJBXETBWDAMUEX-HUUCEWRRSA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000181272609 1430260610 /nfs/dbraw/zinc/26/06/10/1430260610.db2.gz XTVUIKFLGYWPPK-CVEARBPZSA-N 1 0 384.480 3.025 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181272594 1430260695 /nfs/dbraw/zinc/26/06/95/1430260695.db2.gz XTVUIKFLGYWPPK-HOTGVXAUSA-N 1 0 384.480 3.025 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181280341 1430261864 /nfs/dbraw/zinc/26/18/64/1430261864.db2.gz VNGQFSFPVKYAHU-HNNXBMFYSA-N 1 0 378.432 3.194 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(COC)nn3C2)cc1 ZINC000181293635 1430265107 /nfs/dbraw/zinc/26/51/07/1430265107.db2.gz YNQKVSRJPFSQMT-GOEBONIOSA-N 1 0 376.888 3.221 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(COC)nn3C2)cc1 ZINC000181293655 1430265186 /nfs/dbraw/zinc/26/51/86/1430265186.db2.gz YNQKVSRJPFSQMT-GDBMZVCRSA-N 1 0 376.888 3.221 20 30 GGEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c(C#N)c1C ZINC000181292496 1430265277 /nfs/dbraw/zinc/26/52/77/1430265277.db2.gz YBOPKRSXOJTWID-ZIAGYGMSSA-N 1 0 396.447 3.403 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(N2CCOC2=O)c1 ZINC000181306073 1430268563 /nfs/dbraw/zinc/26/85/63/1430268563.db2.gz MYXCVDJQNGOVOY-CYBMUJFWSA-N 1 0 384.461 3.256 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000181305995 1430268703 /nfs/dbraw/zinc/26/87/03/1430268703.db2.gz YWZXZOYBGFDHLQ-CVEARBPZSA-N 1 0 384.480 3.025 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c(C#N)c1C ZINC000181312286 1430270253 /nfs/dbraw/zinc/27/02/53/1430270253.db2.gz GNKLDLLWQYFGNH-CYBMUJFWSA-N 1 0 382.420 3.014 20 30 GGEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c(C#N)c1C ZINC000181324841 1430273026 /nfs/dbraw/zinc/27/30/26/1430273026.db2.gz WFFIKJACGPJIER-ZDUSSCGKSA-N 1 0 398.488 3.483 20 30 GGEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c(C#N)c1C ZINC000181330136 1430274585 /nfs/dbraw/zinc/27/45/85/1430274585.db2.gz XHKYBOBLRPOIRH-ZIAGYGMSSA-N 1 0 396.447 3.403 20 30 GGEDRO COc1cccc([C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N(C)C)c1 ZINC000181388195 1430286811 /nfs/dbraw/zinc/28/68/11/1430286811.db2.gz JVAMPMUAPIMIKZ-XMMPIXPASA-N 1 0 392.547 3.424 20 30 GGEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)cc1 ZINC000181399450 1430288822 /nfs/dbraw/zinc/28/88/22/1430288822.db2.gz JRCXBYZQRQSCPB-FDDCHVKYSA-N 1 0 395.503 3.322 20 30 GGEDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)N2CCOCC2)cc1 ZINC000181399430 1430288871 /nfs/dbraw/zinc/28/88/71/1430288871.db2.gz JRCXBYZQRQSCPB-JPYJTQIMSA-N 1 0 395.503 3.322 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1C#N ZINC000181399898 1430289100 /nfs/dbraw/zinc/28/91/00/1430289100.db2.gz RSXZOSZFIWVMBJ-HZPDHXFCSA-N 1 0 376.460 3.363 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181402415 1430289491 /nfs/dbraw/zinc/28/94/91/1430289491.db2.gz YSWGWINCXURXQN-VGOFRKELSA-N 1 0 383.467 3.452 20 30 GGEDRO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181402396 1430289586 /nfs/dbraw/zinc/28/95/86/1430289586.db2.gz YSWGWINCXURXQN-HTAPYJJXSA-N 1 0 383.467 3.452 20 30 GGEDRO C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000181410085 1430290728 /nfs/dbraw/zinc/29/07/28/1430290728.db2.gz LKOXOIBBTCMKLF-NHCUHLMSSA-N 1 0 399.583 3.370 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000181423634 1430295025 /nfs/dbraw/zinc/29/50/25/1430295025.db2.gz RJYOGOKPSQRFLQ-GOSISDBHSA-N 1 0 390.487 3.411 20 30 GGEDRO C[C@@H]1CN(C(C)(C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000181425306 1430296015 /nfs/dbraw/zinc/29/60/15/1430296015.db2.gz DLYLBTVRYXVPKM-RTBURBONSA-N 1 0 384.568 3.000 20 30 GGEDRO CCC(CC)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181460096 1430304414 /nfs/dbraw/zinc/30/44/14/1430304414.db2.gz YFZQIAVGCPIZDI-DEOSSOPVSA-N 1 0 398.595 3.249 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](CCO)C(C)(C)C)c1C#N ZINC000181465253 1430305379 /nfs/dbraw/zinc/30/53/79/1430305379.db2.gz BMVKICMCBFJQSM-FQEVSTJZSA-N 1 0 396.535 3.350 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181519026 1430314085 /nfs/dbraw/zinc/31/40/85/1430314085.db2.gz YKBLWXHFYSYTAC-PKOBYXMFSA-N 1 0 399.535 3.495 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181519088 1430314140 /nfs/dbraw/zinc/31/41/40/1430314140.db2.gz YKBLWXHFYSYTAC-MJGOQNOKSA-N 1 0 399.535 3.495 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000181533659 1430316688 /nfs/dbraw/zinc/31/66/88/1430316688.db2.gz RYGXEXWDHJHYTR-UHFFFAOYSA-N 1 0 389.547 3.172 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000181535001 1430316798 /nfs/dbraw/zinc/31/67/98/1430316798.db2.gz QJDTVVYDEUSGCB-HXUWFJFHSA-N 1 0 384.524 3.305 20 30 GGEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000181550051 1430319000 /nfs/dbraw/zinc/31/90/00/1430319000.db2.gz LCFJYNPRYDMFAJ-OAQYLSRUSA-N 1 0 385.471 3.293 20 30 GGEDRO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C1CC1 ZINC000181559869 1430320350 /nfs/dbraw/zinc/32/03/50/1430320350.db2.gz WTUYLKILFNDHRQ-IBGZPJMESA-N 1 0 384.455 3.058 20 30 GGEDRO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C1CC1 ZINC000181581480 1430323220 /nfs/dbraw/zinc/32/32/20/1430323220.db2.gz RDHUDXQDFQJARS-LJQANCHMSA-N 1 0 384.455 3.058 20 30 GGEDRO C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181582840 1430323537 /nfs/dbraw/zinc/32/35/37/1430323537.db2.gz WPURDAYKLFXCQB-LJQANCHMSA-N 1 0 395.503 3.151 20 30 GGEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000181606576 1430326851 /nfs/dbraw/zinc/32/68/51/1430326851.db2.gz NTNAYUUHBWRFTI-MAUKXSAKSA-N 1 0 396.457 3.048 20 30 GGEDRO CCN(Cc1ccccc1)C(=O)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181611805 1430327722 /nfs/dbraw/zinc/32/77/22/1430327722.db2.gz SUJLRQNXGILSMI-UHFFFAOYSA-N 1 0 390.531 3.161 20 30 GGEDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC#N)cc1 ZINC000181638346 1430332735 /nfs/dbraw/zinc/33/27/35/1430332735.db2.gz RURGZSDXIHRWQG-XMSQKQJNSA-N 1 0 377.488 3.473 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(OCC4CC4)nc3)CC2)cc1 ZINC000181639063 1430333061 /nfs/dbraw/zinc/33/30/61/1430333061.db2.gz JDTGCRGSIYVMKK-UHFFFAOYSA-N 1 0 376.504 3.496 20 30 GGEDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000181744411 1430351298 /nfs/dbraw/zinc/35/12/98/1430351298.db2.gz CCGYJVDTQWHQFL-UHFFFAOYSA-N 1 0 392.503 3.060 20 30 GGEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181744445 1430351347 /nfs/dbraw/zinc/35/13/47/1430351347.db2.gz OSEYKKWZLRNWOQ-HXUWFJFHSA-N 1 0 384.524 3.122 20 30 GGEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000181746839 1430351975 /nfs/dbraw/zinc/35/19/75/1430351975.db2.gz LUUYCPYVVKBSEW-INIZCTEOSA-N 1 0 377.492 3.364 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000181787972 1430360128 /nfs/dbraw/zinc/36/01/28/1430360128.db2.gz UZXKUKREZQUJQF-UGSOOPFHSA-N 1 0 388.851 3.398 20 30 GGEDRO CC(C)c1nc2n(n1)CCC[C@@H]2NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181882924 1430376990 /nfs/dbraw/zinc/37/69/90/1430376990.db2.gz KCUTVOPQADSODG-FQEVSTJZSA-N 1 0 378.524 3.362 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000181889998 1430378727 /nfs/dbraw/zinc/37/87/27/1430378727.db2.gz RFKWXNYLWZMUJM-WIYYLYMNSA-N 1 0 377.488 3.473 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000181905500 1430381256 /nfs/dbraw/zinc/38/12/56/1430381256.db2.gz XXQKNAXLQGZBLG-MRXNPFEDSA-N 1 0 390.553 3.391 20 30 GGEDRO COc1ccc([C@@H](CCO)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181911654 1430382129 /nfs/dbraw/zinc/38/21/29/1430382129.db2.gz YNXHHFBJRSOTAI-HSZRJFAPSA-N 1 0 379.504 3.245 20 30 GGEDRO C[C@@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000181929805 1430385007 /nfs/dbraw/zinc/38/50/07/1430385007.db2.gz VTCPRXRDKBXLLG-KRWDZBQOSA-N 1 0 386.540 3.416 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000181951388 1430387628 /nfs/dbraw/zinc/38/76/28/1430387628.db2.gz QPUCAMQDEGQRSX-OAQYLSRUSA-N 1 0 392.478 3.057 20 30 GGEDRO C[C@](O)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000181966123 1430389713 /nfs/dbraw/zinc/38/97/13/1430389713.db2.gz FIJYHBKZXJAGNH-QFIPXVFZSA-N 1 0 385.458 3.298 20 30 GGEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000181995701 1430393498 /nfs/dbraw/zinc/39/34/98/1430393498.db2.gz PQSIVFDKECQQBR-JPYJTQIMSA-N 1 0 388.515 3.306 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](CC(N)=O)C2CCCCC2)c1 ZINC000182065482 1430404744 /nfs/dbraw/zinc/40/47/44/1430404744.db2.gz JGQBQEAGBKGLAJ-WIYYLYMNSA-N 1 0 398.551 3.353 20 30 GGEDRO C[C@@H](CCNC(=O)C(=O)Nc1ccccc1SCCC#N)[NH+]1CCCCC1 ZINC000182163737 1430422942 /nfs/dbraw/zinc/42/29/42/1430422942.db2.gz SERJMXQMUJGSCJ-INIZCTEOSA-N 1 0 388.537 3.012 20 30 GGEDRO C[C@H](CCNC(=O)C(=O)Nc1ccccc1SCCC#N)[NH+]1CCCCC1 ZINC000182163758 1430423054 /nfs/dbraw/zinc/42/30/54/1430423054.db2.gz SERJMXQMUJGSCJ-MRXNPFEDSA-N 1 0 388.537 3.012 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1cccc2cccnc21 ZINC000182247800 1430436799 /nfs/dbraw/zinc/43/67/99/1430436799.db2.gz UJOOCBHJDMUIDI-UHFFFAOYSA-N 1 0 388.471 3.076 20 30 GGEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000182277564 1430441813 /nfs/dbraw/zinc/44/18/13/1430441813.db2.gz ABELXAZJJWMARN-AEFFLSMTSA-N 1 0 379.426 3.183 20 30 GGEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000182277542 1430441815 /nfs/dbraw/zinc/44/18/15/1430441815.db2.gz ABELXAZJJWMARN-SJLPKXTDSA-N 1 0 379.426 3.183 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cc(C)ccc1Cl ZINC000182284219 1430442383 /nfs/dbraw/zinc/44/23/83/1430442383.db2.gz BTFKUXHBXROSAC-IBGZPJMESA-N 1 0 388.895 3.408 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H]1CCCO1 ZINC000182336166 1430450250 /nfs/dbraw/zinc/45/02/50/1430450250.db2.gz MILOYUNSLGNLBJ-UXHICEINSA-N 1 0 380.492 3.452 20 30 GGEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CCCO1 ZINC000182352636 1430452516 /nfs/dbraw/zinc/45/25/16/1430452516.db2.gz DHTKTPWAJRCYRV-MOPGFXCFSA-N 1 0 384.480 3.104 20 30 GGEDRO CO/N=C/c1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182454766 1430470482 /nfs/dbraw/zinc/47/04/82/1430470482.db2.gz KGGBVAVGAIVLAV-XQNSMLJCSA-N 1 0 380.492 3.450 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000182516929 1430481963 /nfs/dbraw/zinc/48/19/63/1430481963.db2.gz BQFBCLOTKUZWCG-MRXNPFEDSA-N 1 0 399.461 3.289 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000182548135 1430488595 /nfs/dbraw/zinc/48/85/95/1430488595.db2.gz KUAWDXYQOANJKB-UHFFFAOYSA-N 1 0 384.524 3.247 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000182560246 1430492044 /nfs/dbraw/zinc/49/20/44/1430492044.db2.gz JLGPJQLIDHQCSD-UHFFFAOYSA-N 1 0 390.572 3.032 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000182565918 1430493558 /nfs/dbraw/zinc/49/35/58/1430493558.db2.gz WILDFOKIFZNADA-SFHVURJKSA-N 1 0 390.572 3.078 20 30 GGEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000182614740 1430502785 /nfs/dbraw/zinc/50/27/85/1430502785.db2.gz GMEPGBPNEZLXHP-UXHICEINSA-N 1 0 394.544 3.294 20 30 GGEDRO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182623042 1430504152 /nfs/dbraw/zinc/50/41/52/1430504152.db2.gz RYGZZKLJGLFLKX-AVRDEDQJSA-N 1 0 394.494 3.228 20 30 GGEDRO C[C@H](CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCCCC1 ZINC000182677957 1430515339 /nfs/dbraw/zinc/51/53/39/1430515339.db2.gz IVUSLIFSDBUKEH-GOSISDBHSA-N 1 0 384.524 3.376 20 30 GGEDRO C[C@@H](CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCCCC1 ZINC000182677941 1430515606 /nfs/dbraw/zinc/51/56/06/1430515606.db2.gz IVUSLIFSDBUKEH-SFHVURJKSA-N 1 0 384.524 3.376 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000182723872 1430526878 /nfs/dbraw/zinc/52/68/78/1430526878.db2.gz FBZVGAOFRQLBET-UHFFFAOYSA-N 1 0 390.531 3.467 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(OC[C@H]4CCCCO4)CC3)C2=O)cc1 ZINC000182832599 1430549918 /nfs/dbraw/zinc/54/99/18/1430549918.db2.gz KQZUJRKMGUINJG-YADHBBJMSA-N 1 0 397.519 3.104 20 30 GGEDRO CC(C)n1cnnc1[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182886916 1430562150 /nfs/dbraw/zinc/56/21/50/1430562150.db2.gz VMYKELQVRKTRBB-UYAOXDASSA-N 1 0 392.507 3.106 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182890932 1430563777 /nfs/dbraw/zinc/56/37/77/1430563777.db2.gz YESXBJMHVOSCER-RXVVDRJESA-N 1 0 398.551 3.369 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H](N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000182916340 1430570465 /nfs/dbraw/zinc/57/04/65/1430570465.db2.gz CPDGOJMZNKAOQD-QIJUGHKUSA-N 1 0 378.520 3.002 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H](N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000182916359 1430570482 /nfs/dbraw/zinc/57/04/82/1430570482.db2.gz CPDGOJMZNKAOQD-STZQEDGTSA-N 1 0 378.520 3.002 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000182921670 1430572135 /nfs/dbraw/zinc/57/21/35/1430572135.db2.gz CNDWPGCSXVWNNJ-FUHWJXTLSA-N 1 0 384.524 3.377 20 30 GGEDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182924744 1430573143 /nfs/dbraw/zinc/57/31/43/1430573143.db2.gz XUVPUDUSESFJDL-AZUAARDMSA-N 1 0 383.492 3.109 20 30 GGEDRO C[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182926413 1430573475 /nfs/dbraw/zinc/57/34/75/1430573475.db2.gz GQOHVFKDXJSMJU-UYAOXDASSA-N 1 0 395.551 3.043 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000182985705 1430585922 /nfs/dbraw/zinc/58/59/22/1430585922.db2.gz RITQDIMOTCWTGM-QGZVFWFLSA-N 1 0 380.492 3.244 20 30 GGEDRO CC(C)[NH+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)C ZINC000183056076 1430600954 /nfs/dbraw/zinc/60/09/54/1430600954.db2.gz UQHFVBPQZJWPNW-QGZVFWFLSA-N 1 0 386.540 3.475 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H](C)c1ccccc1 ZINC000183359262 1430688421 /nfs/dbraw/zinc/68/84/21/1430688421.db2.gz NMSZJYAJOCJBGH-HBFSDRIKSA-N 1 0 396.560 3.239 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)c(Cl)c1 ZINC000183432800 1430710542 /nfs/dbraw/zinc/71/05/42/1430710542.db2.gz FXRZSIFLHSKGIX-UHFFFAOYSA-N 1 0 389.908 3.286 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183522571 1430734339 /nfs/dbraw/zinc/73/43/39/1430734339.db2.gz RDCNQGYEEOWPMI-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000183597934 1430750544 /nfs/dbraw/zinc/75/05/44/1430750544.db2.gz HRSCUJMQGCHUTO-MJGOQNOKSA-N 1 0 382.508 3.084 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000183662958 1430766419 /nfs/dbraw/zinc/76/64/19/1430766419.db2.gz RNXRDMHAJDFVGW-WBVHZDCISA-N 1 0 395.956 3.487 20 30 GGEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000183738718 1430784324 /nfs/dbraw/zinc/78/43/24/1430784324.db2.gz RTJVHHVOMLUFLY-OAHLLOKOSA-N 1 0 381.505 3.425 20 30 GGEDRO CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000183752356 1430786837 /nfs/dbraw/zinc/78/68/37/1430786837.db2.gz YWHMIPSDFOMPTG-QHCPKHFHSA-N 1 0 379.504 3.314 20 30 GGEDRO Cc1cc2c(cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)OCO2 ZINC000183767576 1430789955 /nfs/dbraw/zinc/78/99/55/1430789955.db2.gz CVKLPYMRGZSXLM-UHFFFAOYSA-N 1 0 380.448 3.191 20 30 GGEDRO CC1([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)OCCO1 ZINC000183846307 1430804279 /nfs/dbraw/zinc/80/42/79/1430804279.db2.gz ZJEIBQLHQNBTFR-MRXNPFEDSA-N 1 0 391.899 3.062 20 30 GGEDRO CC1([C@H]2CCC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)OCCO1 ZINC000183846328 1430804359 /nfs/dbraw/zinc/80/43/59/1430804359.db2.gz ZJEIBQLHQNBTFR-INIZCTEOSA-N 1 0 391.899 3.062 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183850878 1430804871 /nfs/dbraw/zinc/80/48/71/1430804871.db2.gz KDKPHWLQBWUHBD-MOPGFXCFSA-N 1 0 385.508 3.105 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1C ZINC000183867725 1430806835 /nfs/dbraw/zinc/80/68/35/1430806835.db2.gz BOZBTKWQEFWVAU-LJQANCHMSA-N 1 0 385.508 3.025 20 30 GGEDRO CC1([C@@H]2CCC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)OCCO1 ZINC000183876045 1430807723 /nfs/dbraw/zinc/80/77/23/1430807723.db2.gz IMYYJIOYMLZRTH-QGZVFWFLSA-N 1 0 381.476 3.213 20 30 GGEDRO Cc1ccc2c(c1)nc(CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)n2C ZINC000183892770 1430809541 /nfs/dbraw/zinc/80/95/41/1430809541.db2.gz JHDVSAXAPNFYLV-UHFFFAOYSA-N 1 0 391.397 3.385 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2ncc(C)s2)c(OC)c1 ZINC000183924941 1430813860 /nfs/dbraw/zinc/81/38/60/1430813860.db2.gz REUANCUTXRBQBN-MRXNPFEDSA-N 1 0 376.522 3.453 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000183950816 1430817243 /nfs/dbraw/zinc/81/72/43/1430817243.db2.gz KIZRTNORCXZIEO-QFIPXVFZSA-N 1 0 379.504 3.337 20 30 GGEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183966159 1430819871 /nfs/dbraw/zinc/81/98/71/1430819871.db2.gz UPSCVGZBDXEANN-OAHLLOKOSA-N 1 0 398.438 3.299 20 30 GGEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000184031523 1430831862 /nfs/dbraw/zinc/83/18/62/1430831862.db2.gz QBVGQABRFJUEMT-FQEVSTJZSA-N 1 0 390.531 3.234 20 30 GGEDRO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000184251829 1430862472 /nfs/dbraw/zinc/86/24/72/1430862472.db2.gz MNCZNCADBMKAPJ-INIZCTEOSA-N 1 0 383.521 3.036 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000184303144 1430871054 /nfs/dbraw/zinc/87/10/54/1430871054.db2.gz QYMARSCNEOHKME-QGZVFWFLSA-N 1 0 386.496 3.086 20 30 GGEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000184324016 1430873180 /nfs/dbraw/zinc/87/31/80/1430873180.db2.gz NOXDEKDITAALFN-IRXDYDNUSA-N 1 0 389.569 3.228 20 30 GGEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000184334014 1430874476 /nfs/dbraw/zinc/87/44/76/1430874476.db2.gz ATVVQYPWFNZZJX-OAQYLSRUSA-N 1 0 385.533 3.134 20 30 GGEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000184374281 1430880076 /nfs/dbraw/zinc/88/00/76/1430880076.db2.gz OAVBNODKDSIUGF-SJLPKXTDSA-N 1 0 384.549 3.244 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(CC)c3ccc(Cl)cc3c2=O)CC1 ZINC000184413563 1430885090 /nfs/dbraw/zinc/88/50/90/1430885090.db2.gz GJSFGUHWAVJUAJ-UHFFFAOYSA-N 1 0 387.911 3.445 20 30 GGEDRO Cc1cnc([C@H](C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000184459909 1430890160 /nfs/dbraw/zinc/89/01/60/1430890160.db2.gz HVPNQIIQKOXNTJ-MRXNPFEDSA-N 1 0 397.548 3.344 20 30 GGEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000184459742 1430890270 /nfs/dbraw/zinc/89/02/70/1430890270.db2.gz WAXDZRNHXZFDEV-FQEVSTJZSA-N 1 0 390.531 3.234 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000184599006 1430914688 /nfs/dbraw/zinc/91/46/88/1430914688.db2.gz OWWVBIGIMAHVAK-KRWDZBQOSA-N 1 0 396.491 3.225 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000184603828 1430916097 /nfs/dbraw/zinc/91/60/97/1430916097.db2.gz YJRKJCWSUXMTNF-UHFFFAOYSA-N 1 0 388.512 3.217 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000184606936 1430918155 /nfs/dbraw/zinc/91/81/55/1430918155.db2.gz VBANGEYLTQLXQI-INIZCTEOSA-N 1 0 388.512 3.215 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000184611952 1430919086 /nfs/dbraw/zinc/91/90/86/1430919086.db2.gz BYHSAMXJBRZIBC-KRWDZBQOSA-N 1 0 388.512 3.360 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000184616798 1430920726 /nfs/dbraw/zinc/92/07/26/1430920726.db2.gz NAMKZZNKDWSIDB-GOSISDBHSA-N 1 0 388.512 3.073 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000184618190 1430920826 /nfs/dbraw/zinc/92/08/26/1430920826.db2.gz FHBAOYOLPQLGTJ-GOSISDBHSA-N 1 0 376.501 3.071 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000184618437 1430921014 /nfs/dbraw/zinc/92/10/14/1430921014.db2.gz SEVYPVMWPBPAEE-UHFFFAOYSA-N 1 0 386.496 3.066 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000184619435 1430921158 /nfs/dbraw/zinc/92/11/58/1430921158.db2.gz DYRSTPXSBFSDQO-YLJYHZDGSA-N 1 0 398.507 3.064 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000184619573 1430921480 /nfs/dbraw/zinc/92/14/80/1430921480.db2.gz PIEDAJUNFUPZHH-UHFFFAOYSA-N 1 0 388.512 3.169 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000184619471 1430921836 /nfs/dbraw/zinc/92/18/36/1430921836.db2.gz DYRSTPXSBFSDQO-FXAWDEMLSA-N 1 0 398.507 3.064 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000184622733 1430921912 /nfs/dbraw/zinc/92/19/12/1430921912.db2.gz SQMIVHOLKPKZIR-MRXNPFEDSA-N 1 0 388.493 3.069 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2-c2nnnn2C(C)C)CC1 ZINC000184645825 1430928938 /nfs/dbraw/zinc/92/89/38/1430928938.db2.gz FHGCBAHNKWWCCX-UHFFFAOYSA-N 1 0 383.500 3.083 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000184652821 1430930961 /nfs/dbraw/zinc/93/09/61/1430930961.db2.gz ZFBJEPMIXYKTLW-JXFKEZNVSA-N 1 0 394.510 3.155 20 30 GGEDRO C=C(C)[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000184652782 1430931038 /nfs/dbraw/zinc/93/10/38/1430931038.db2.gz ZFBJEPMIXYKTLW-OXJNMPFZSA-N 1 0 394.510 3.155 20 30 GGEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1nc(COc2ccccc2)n[nH]1 ZINC000184654982 1430931686 /nfs/dbraw/zinc/93/16/86/1430931686.db2.gz KSQHYYUJISCQGB-UHFFFAOYSA-N 1 0 378.480 3.435 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)NC1(C#N)CCCCC1 ZINC000184753413 1430966916 /nfs/dbraw/zinc/96/69/16/1430966916.db2.gz NZAIJHDKZSRLBG-RTBURBONSA-N 1 0 382.552 3.075 20 30 GGEDRO [NH2+]=C(NCc1cccc(N2CCCS2(=O)=O)c1)Nc1cccc2c1CCCC2 ZINC000184875173 1431009707 /nfs/dbraw/zinc/00/97/07/1431009707.db2.gz RUGQGAABGRNGOM-UHFFFAOYSA-N 1 0 398.532 3.032 20 30 GGEDRO COC(=O)[C@H](Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC000185033914 1431045639 /nfs/dbraw/zinc/04/56/39/1431045639.db2.gz RGQYKLJRQKJWKB-OAQYLSRUSA-N 1 0 394.475 3.083 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000185094261 1431059352 /nfs/dbraw/zinc/05/93/52/1431059352.db2.gz ZEQWEDBFKLUZBY-UHFFFAOYSA-N 1 0 399.516 3.199 20 30 GGEDRO Cc1cc2c(cc1C)[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CO2 ZINC000185201848 1431083802 /nfs/dbraw/zinc/08/38/02/1431083802.db2.gz OKCKMQOKIYEIAS-NRFANRHFSA-N 1 0 377.488 3.242 20 30 GGEDRO Cc1sc(NC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c(C#N)c1C ZINC000185228619 1431089771 /nfs/dbraw/zinc/08/97/71/1431089771.db2.gz AVTJXTRFELYJGY-OAHLLOKOSA-N 1 0 392.525 3.068 20 30 GGEDRO C=CCN1CCC([NH2+][C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000185383467 1431132298 /nfs/dbraw/zinc/13/22/98/1431132298.db2.gz FHBVYXUJJQMVNT-SFTDATJTSA-N 1 0 376.566 3.320 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(OC)cc3)c2CC)CC1 ZINC000185408131 1431138525 /nfs/dbraw/zinc/13/85/25/1431138525.db2.gz HHVGFBWKAPWHLQ-UHFFFAOYSA-N 1 0 382.508 3.214 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(O)(c4ccccc4)CC3)C2=O)cc1 ZINC000185519462 1431163296 /nfs/dbraw/zinc/16/32/96/1431163296.db2.gz FASMMFTTWIQABL-OAQYLSRUSA-N 1 0 375.472 3.037 20 30 GGEDRO Cc1cccc(NC(=O)C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1C#N ZINC000185592781 1431178725 /nfs/dbraw/zinc/17/87/25/1431178725.db2.gz PZYLSCXXSCKHMY-NRFANRHFSA-N 1 0 392.503 3.078 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000185592251 1431178805 /nfs/dbraw/zinc/17/88/05/1431178805.db2.gz ARSWFUJFXHTAFM-OAQYLSRUSA-N 1 0 392.503 3.078 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185626357 1431188256 /nfs/dbraw/zinc/18/82/56/1431188256.db2.gz XWMMQNDUGSFDPQ-ZDUSSCGKSA-N 1 0 399.461 3.398 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000185631190 1431189051 /nfs/dbraw/zinc/18/90/51/1431189051.db2.gz LFNDGAJIZBXSAC-GFCCVEGCSA-N 1 0 385.434 3.056 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000185636413 1431190604 /nfs/dbraw/zinc/19/06/04/1431190604.db2.gz AQXGOEHJDLQEJY-TZMCWYRMSA-N 1 0 399.461 3.444 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000185636397 1431190909 /nfs/dbraw/zinc/19/09/09/1431190909.db2.gz AQXGOEHJDLQEJY-JSGCOSHPSA-N 1 0 399.461 3.444 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000185640291 1431192498 /nfs/dbraw/zinc/19/24/98/1431192498.db2.gz MVDSIYPFYXZGSB-BLLLJJGKSA-N 1 0 396.413 3.024 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000185643694 1431193324 /nfs/dbraw/zinc/19/33/24/1431193324.db2.gz QNYVLUMAOQQKGH-NSHDSACASA-N 1 0 379.386 3.223 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000185643715 1431193585 /nfs/dbraw/zinc/19/35/85/1431193585.db2.gz VNAXTFOOHBXMRJ-SECBINFHSA-N 1 0 385.415 3.285 20 30 GGEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000185643727 1431193612 /nfs/dbraw/zinc/19/36/12/1431193612.db2.gz VNAXTFOOHBXMRJ-VIFPVBQESA-N 1 0 385.415 3.285 20 30 GGEDRO Cn1cc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000185689122 1431206717 /nfs/dbraw/zinc/20/67/17/1431206717.db2.gz FZUSISYPCVMRPB-UHFFFAOYSA-N 1 0 387.487 3.274 20 30 GGEDRO NC(=[NH+]OCc1ccc(C(F)F)cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000185795031 1431237851 /nfs/dbraw/zinc/23/78/51/1431237851.db2.gz MXPQWXVCZFPPRM-UHFFFAOYSA-N 1 0 375.419 3.422 20 30 GGEDRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185843710 1431249670 /nfs/dbraw/zinc/24/96/70/1431249670.db2.gz ZTTXOADCDLPXEF-DOTOQJQBSA-N 1 0 385.489 3.449 20 30 GGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000185870234 1431257786 /nfs/dbraw/zinc/25/77/86/1431257786.db2.gz XDINFBWCTCLGAN-CHWSQXEVSA-N 1 0 376.400 3.031 20 30 GGEDRO COc1ccccc1C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000185884171 1431262705 /nfs/dbraw/zinc/26/27/05/1431262705.db2.gz BBXSVESWWDNKJA-HXUWFJFHSA-N 1 0 386.517 3.197 20 30 GGEDRO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000186219307 1431355174 /nfs/dbraw/zinc/35/51/74/1431355174.db2.gz LDFNUVXBQRPTSL-RTWAWAEBSA-N 1 0 386.540 3.225 20 30 GGEDRO CC(C)C[C@H]1OCCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186267539 1431366477 /nfs/dbraw/zinc/36/64/77/1431366477.db2.gz WPEMQSRQXZVSCL-FGZHOGPDSA-N 1 0 398.551 3.369 20 30 GGEDRO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186267555 1431366806 /nfs/dbraw/zinc/36/68/06/1431366806.db2.gz WPEMQSRQXZVSCL-YADHBBJMSA-N 1 0 398.551 3.369 20 30 GGEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000186274853 1431368680 /nfs/dbraw/zinc/36/86/80/1431368680.db2.gz BPFHWXQXQYRWMK-KRWDZBQOSA-N 1 0 399.516 3.170 20 30 GGEDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC000186286255 1431372066 /nfs/dbraw/zinc/37/20/66/1431372066.db2.gz MCVZNVRFGRVSGO-FQEVSTJZSA-N 1 0 397.544 3.366 20 30 GGEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000186320424 1431381374 /nfs/dbraw/zinc/38/13/74/1431381374.db2.gz OHUOSZSVIVHRFD-IBGZPJMESA-N 1 0 384.524 3.094 20 30 GGEDRO CCN(C(=O)COc1ccc(C#N)cc1OC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186326289 1431383256 /nfs/dbraw/zinc/38/32/56/1431383256.db2.gz CKZDIVCGCGUJGL-FQEVSTJZSA-N 1 0 393.487 3.069 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+](C)C)cc1 ZINC000186447616 1431422534 /nfs/dbraw/zinc/42/25/34/1431422534.db2.gz HSMYRCSUTKZUTA-SFHVURJKSA-N 1 0 381.480 3.497 20 30 GGEDRO C=CCC[C@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000186498853 1431437870 /nfs/dbraw/zinc/43/78/70/1431437870.db2.gz LUHDXZWTKKFHEA-PKTZIBPZSA-N 1 0 378.516 3.272 20 30 GGEDRO CSc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000186501583 1431438299 /nfs/dbraw/zinc/43/82/99/1431438299.db2.gz BOBROIHNBSBNBM-UHFFFAOYSA-N 1 0 398.488 3.392 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)CC1 ZINC000186585979 1431460892 /nfs/dbraw/zinc/46/08/92/1431460892.db2.gz YDWCQSMANKTIBP-LJQANCHMSA-N 1 0 379.451 3.088 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000186681078 1431491066 /nfs/dbraw/zinc/49/10/66/1431491066.db2.gz MRZGAZJFEKUCHW-RDTXWAMCSA-N 1 0 381.467 3.069 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)CC1 ZINC000186688657 1431492528 /nfs/dbraw/zinc/49/25/28/1431492528.db2.gz QPWFZDSHCPFMCY-UHFFFAOYSA-N 1 0 378.472 3.394 20 30 GGEDRO C#CCOc1ccccc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000186798485 1431519532 /nfs/dbraw/zinc/51/95/32/1431519532.db2.gz KPYBCMHISNBNLF-UHFFFAOYSA-N 1 0 385.508 3.055 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCSC3(CCOCC3)C2)sc2c1CCC2 ZINC000186809640 1431523605 /nfs/dbraw/zinc/52/36/05/1431523605.db2.gz QGHZGYKBYDCOQP-UHFFFAOYSA-N 1 0 391.562 3.035 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186812023 1431523768 /nfs/dbraw/zinc/52/37/68/1431523768.db2.gz ZUULXKIVRPECGW-SFHVURJKSA-N 1 0 387.549 3.228 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186941479 1431572264 /nfs/dbraw/zinc/57/22/64/1431572264.db2.gz QCRRGHJHHRCUKI-JOCHJYFZSA-N 1 0 399.506 3.364 20 30 GGEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1cccc(C)c1)[n+]1cccc(CO)c1 ZINC000186954921 1431575908 /nfs/dbraw/zinc/57/59/08/1431575908.db2.gz MCFVFPSEWCDBGF-UHFFFAOYSA-O 1 0 396.492 3.431 20 30 GGEDRO COc1ccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccc(C)cc2)cn1 ZINC000186966484 1431579241 /nfs/dbraw/zinc/57/92/41/1431579241.db2.gz QLMVMFWOZJRPQV-UHFFFAOYSA-O 1 0 397.480 3.342 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C)(CO)CC3)sc2C1 ZINC000186973289 1431580160 /nfs/dbraw/zinc/58/01/60/1431580160.db2.gz UJHKRLPRMSWOMH-CQSZACIVSA-N 1 0 375.538 3.168 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN(C)CC2([NH+](C)C)CCC2)ccc1Cl ZINC000186973464 1431580462 /nfs/dbraw/zinc/58/04/62/1431580462.db2.gz JECYDLVYKABVET-UHFFFAOYSA-N 1 0 376.932 3.311 20 30 GGEDRO CCC(C)(C)NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1cccc(CO)c1 ZINC000186977077 1431581214 /nfs/dbraw/zinc/58/12/14/1431581214.db2.gz YBSBXUVTDMFYNV-UHFFFAOYSA-O 1 0 393.479 3.462 20 30 GGEDRO Cn1nc(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000187038215 1431597031 /nfs/dbraw/zinc/59/70/31/1431597031.db2.gz WCUGGXLVFUYMJW-UHFFFAOYSA-N 1 0 391.397 3.119 20 30 GGEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2nn(C)c3ccccc23)c1 ZINC000187037259 1431597199 /nfs/dbraw/zinc/59/71/99/1431597199.db2.gz AHSYMLSCVFIVLA-UHFFFAOYSA-N 1 0 381.480 3.340 20 30 GGEDRO [NH2+]=C(NCCc1ccc(OCC(F)(F)F)nc1)Nc1ccc2c(c1)CCC2 ZINC000187049172 1431599931 /nfs/dbraw/zinc/59/99/31/1431599931.db2.gz ZSOHVDYLZUBXFM-UHFFFAOYSA-N 1 0 378.398 3.481 20 30 GGEDRO Cc1cnc([C@H](C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000187080562 1431608165 /nfs/dbraw/zinc/60/81/65/1431608165.db2.gz RHMRREGEHLCQRA-OAHLLOKOSA-N 1 0 385.537 3.200 20 30 GGEDRO C=CCCN(OCc1ccccc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000187191970 1431642152 /nfs/dbraw/zinc/64/21/52/1431642152.db2.gz SEULBJOYHMMWIE-FQEVSTJZSA-N 1 0 387.524 3.207 20 30 GGEDRO COc1cc(/C=C/C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1OCC#N ZINC000187236954 1431660507 /nfs/dbraw/zinc/66/05/07/1431660507.db2.gz VNWPDWJPTSUWEW-XGEGFWMMSA-N 1 0 393.487 3.418 20 30 GGEDRO C=CC[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)c1ccccc1 ZINC000187274005 1431676718 /nfs/dbraw/zinc/67/67/18/1431676718.db2.gz XJRXFUANPOXRJX-GOSISDBHSA-N 1 0 379.460 3.455 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC1(O)CCCCCC1 ZINC000187343754 1431703312 /nfs/dbraw/zinc/70/33/12/1431703312.db2.gz OJJUMFZQDIWZTC-QGZVFWFLSA-N 1 0 375.488 3.478 20 30 GGEDRO C=C(C)[C@@H]([NH2+]CCCN1C(=O)CS/C1=C\C(=O)OC)c1ccc(F)c(F)c1 ZINC000187773343 1431810604 /nfs/dbraw/zinc/81/06/04/1431810604.db2.gz TXTWCUAXHOENEC-WSDUQJHMSA-N 1 0 396.459 3.152 20 30 GGEDRO C=C(C)[C@H]([NH2+]CCCN1C(=O)CS/C1=C\C(=O)OC)c1ccc(F)c(F)c1 ZINC000187773324 1431810644 /nfs/dbraw/zinc/81/06/44/1431810644.db2.gz TXTWCUAXHOENEC-DDYRAIOVSA-N 1 0 396.459 3.152 20 30 GGEDRO CN(C)c1cccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000187993872 1431834367 /nfs/dbraw/zinc/83/43/67/1431834367.db2.gz PXYDJQAFUYMHCL-UHFFFAOYSA-N 1 0 378.520 3.147 20 30 GGEDRO C#CCOc1ccccc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000188051313 1431840189 /nfs/dbraw/zinc/84/01/89/1431840189.db2.gz WOKMXKYFQFNZEY-UHFFFAOYSA-N 1 0 381.476 3.351 20 30 GGEDRO C#CCOc1ccccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000188073960 1431842786 /nfs/dbraw/zinc/84/27/86/1431842786.db2.gz DMQXDLHCWDWLEN-KRWDZBQOSA-N 1 0 378.476 3.441 20 30 GGEDRO C=C(C)[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000188301565 1431870897 /nfs/dbraw/zinc/87/08/97/1431870897.db2.gz AWUHNUJOBQNSPT-VQTJNVASSA-N 1 0 394.510 3.153 20 30 GGEDRO C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000188431892 1431883737 /nfs/dbraw/zinc/88/37/37/1431883737.db2.gz NAHURIOCZLKQEL-VGSWGCGISA-N 1 0 391.531 3.374 20 30 GGEDRO N#Cc1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000188614146 1431901665 /nfs/dbraw/zinc/90/16/65/1431901665.db2.gz UASFVXFYDPVVCH-UHFFFAOYSA-N 1 0 393.487 3.065 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ncccc1OCCCC#N ZINC000188684723 1431932187 /nfs/dbraw/zinc/93/21/87/1431932187.db2.gz OGJYVPMETCZYQT-UHFFFAOYSA-N 1 0 399.470 3.499 20 30 GGEDRO COC(=O)c1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000188707905 1431940362 /nfs/dbraw/zinc/94/03/62/1431940362.db2.gz IKZDVGCABMXUEO-UHFFFAOYSA-N 1 0 379.460 3.430 20 30 GGEDRO C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000188709934 1431941564 /nfs/dbraw/zinc/94/15/64/1431941564.db2.gz BRYYOMGNUTYPTQ-QGZVFWFLSA-N 1 0 393.491 3.332 20 30 GGEDRO C[N@H+](CCNC(=O)Nc1ncccc1OCCCC#N)Cc1ccc(F)cc1 ZINC000188716423 1431943493 /nfs/dbraw/zinc/94/34/93/1431943493.db2.gz WXXQHFJCWSPTJZ-UHFFFAOYSA-N 1 0 385.443 3.157 20 30 GGEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000188887399 1432003322 /nfs/dbraw/zinc/00/33/22/1432003322.db2.gz VGPSSXJOHIZLNO-UHFFFAOYSA-N 1 0 387.405 3.233 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000188962121 1432017384 /nfs/dbraw/zinc/01/73/84/1432017384.db2.gz FLSBGYWOAHBIFL-UHFFFAOYSA-N 1 0 388.515 3.045 20 30 GGEDRO N#Cc1c(F)cccc1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000188970915 1432018976 /nfs/dbraw/zinc/01/89/76/1432018976.db2.gz HZYZPUJLDAUGAU-UHFFFAOYSA-N 1 0 381.451 3.144 20 30 GGEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)N3CCc4ccccc4C3)CC2)c1 ZINC000189004426 1432025604 /nfs/dbraw/zinc/02/56/04/1432025604.db2.gz DYTKQELRUMRFAP-UHFFFAOYSA-N 1 0 389.499 3.376 20 30 GGEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000189063303 1432038040 /nfs/dbraw/zinc/03/80/40/1432038040.db2.gz VXPFIHXUSXEKIS-IYBDPMFKSA-N 1 0 382.426 3.063 20 30 GGEDRO C=CCC[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000189123938 1432048784 /nfs/dbraw/zinc/04/87/84/1432048784.db2.gz QYGUVIGAILQXNZ-NRFANRHFSA-N 1 0 378.520 3.200 20 30 GGEDRO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000189222613 1432066240 /nfs/dbraw/zinc/06/62/40/1432066240.db2.gz HIFRCPFCEOMPDO-IBGZPJMESA-N 1 0 394.437 3.064 20 30 GGEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000189231976 1432068272 /nfs/dbraw/zinc/06/82/72/1432068272.db2.gz RDAWVBZTEVIUQH-OAHLLOKOSA-N 1 0 387.480 3.201 20 30 GGEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000189365070 1432094032 /nfs/dbraw/zinc/09/40/32/1432094032.db2.gz YAEPKRVVCZTKKS-UHFFFAOYSA-N 1 0 379.460 3.111 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)c1 ZINC000189371254 1432094720 /nfs/dbraw/zinc/09/47/20/1432094720.db2.gz RAAVORPNVJYEHK-UHFFFAOYSA-N 1 0 399.491 3.072 20 30 GGEDRO COCCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000189422635 1432105753 /nfs/dbraw/zinc/10/57/53/1432105753.db2.gz SDRGOKWUCYZJLZ-UHFFFAOYSA-N 1 0 380.492 3.343 20 30 GGEDRO N#Cc1ccccc1Sc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000189460237 1432119416 /nfs/dbraw/zinc/11/94/16/1432119416.db2.gz VVXBGWCZUQRISI-UHFFFAOYSA-N 1 0 381.501 3.162 20 30 GGEDRO COC(=O)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(C)c1 ZINC000189597117 1432171062 /nfs/dbraw/zinc/17/10/62/1432171062.db2.gz OIVRGJNYAREZAF-JOCHJYFZSA-N 1 0 395.478 3.474 20 30 GGEDRO C=CCC[C@@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)c1ccccc1 ZINC000189748709 1432223189 /nfs/dbraw/zinc/22/31/89/1432223189.db2.gz GJUXDNYXXSITOO-LJQANCHMSA-N 1 0 390.553 3.047 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN(C)CC2([NH+](C)C)CCC2)c1=S ZINC000189802837 1432239346 /nfs/dbraw/zinc/23/93/46/1432239346.db2.gz NDPUDVWPZKRXGG-UHFFFAOYSA-N 1 0 386.569 3.426 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](CC(C)(C)O)C2CC2)c1C#N ZINC000189910432 1432271034 /nfs/dbraw/zinc/27/10/34/1432271034.db2.gz AZKRGUFATWRJAE-UHFFFAOYSA-N 1 0 398.482 3.279 20 30 GGEDRO CC(C)(O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000189930413 1432278032 /nfs/dbraw/zinc/27/80/32/1432278032.db2.gz MPUZRPVPIFYUJF-UHFFFAOYSA-N 1 0 375.538 3.453 20 30 GGEDRO COC(=O)[C@](C)(C[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000189935438 1432280369 /nfs/dbraw/zinc/28/03/69/1432280369.db2.gz GSEXLHMFHCUPPR-SPLOXXLWSA-N 1 0 399.878 3.259 20 30 GGEDRO COC(=O)[C@](C)(C[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000189935422 1432280470 /nfs/dbraw/zinc/28/04/70/1432280470.db2.gz GSEXLHMFHCUPPR-LHSJRXKWSA-N 1 0 399.878 3.259 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCOC[C@H]1c1nc(C)cs1)C(C)C ZINC000190069737 1432314080 /nfs/dbraw/zinc/31/40/80/1432314080.db2.gz ZLEXGEWQMKXHCK-ROUUACIJSA-N 1 0 392.569 3.233 20 30 GGEDRO C=CCc1cc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314491 1432359066 /nfs/dbraw/zinc/35/90/66/1432359066.db2.gz VPSCKPKVALJRKT-XMMPIXPASA-N 1 0 396.531 3.198 20 30 GGEDRO CN(Cc1cccc(OCCCC#N)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190318169 1432360138 /nfs/dbraw/zinc/36/01/38/1432360138.db2.gz JSCLPBRRNAPSKC-XMMPIXPASA-N 1 0 393.531 3.438 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccc(F)c(F)c3)CC2)cc1 ZINC000190326628 1432361929 /nfs/dbraw/zinc/36/19/29/1432361929.db2.gz CASFOLGNRPEIJF-UHFFFAOYSA-N 1 0 398.457 3.296 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)ccc1Cl ZINC000190330319 1432362576 /nfs/dbraw/zinc/36/25/76/1432362576.db2.gz JOFHBPDMFHUXBJ-UHFFFAOYSA-N 1 0 396.878 3.427 20 30 GGEDRO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000190581510 1432412641 /nfs/dbraw/zinc/41/26/41/1432412641.db2.gz LPZRAUWOCUYCNY-SFHVURJKSA-N 1 0 380.517 3.291 20 30 GGEDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000190604299 1432417466 /nfs/dbraw/zinc/41/74/66/1432417466.db2.gz SVYSPSBGUXIFOK-PMACEKPBSA-N 1 0 378.432 3.308 20 30 GGEDRO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190603680 1432417490 /nfs/dbraw/zinc/41/74/90/1432417490.db2.gz UPEYICGJYGPFFP-JTSKRJEESA-N 1 0 377.488 3.279 20 30 GGEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)C1 ZINC000190604818 1432417796 /nfs/dbraw/zinc/41/77/96/1432417796.db2.gz DVWZQMXDBGCHRU-CDNPAEQRSA-N 1 0 394.563 3.292 20 30 GGEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)C1 ZINC000190604805 1432418041 /nfs/dbraw/zinc/41/80/41/1432418041.db2.gz DVWZQMXDBGCHRU-SXSPYAJSSA-N 1 0 394.563 3.292 20 30 GGEDRO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190604427 1432418056 /nfs/dbraw/zinc/41/80/56/1432418056.db2.gz VNGUCWQUVORCOO-VGSWGCGISA-N 1 0 393.487 3.035 20 30 GGEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1C(C)(C)C ZINC000190605793 1432418363 /nfs/dbraw/zinc/41/83/63/1432418363.db2.gz NAVPOAMBJIYMGY-QRWLVFNGSA-N 1 0 379.508 3.270 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1N(C)C ZINC000190608487 1432418886 /nfs/dbraw/zinc/41/88/86/1432418886.db2.gz BVWAJSLUQPKSBK-FOIQADDNSA-N 1 0 380.467 3.215 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1N(C)C ZINC000190608467 1432418987 /nfs/dbraw/zinc/41/89/87/1432418987.db2.gz BVWAJSLUQPKSBK-MGPUTAFESA-N 1 0 380.467 3.215 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1N(C)C ZINC000190608502 1432419217 /nfs/dbraw/zinc/41/92/17/1432419217.db2.gz BVWAJSLUQPKSBK-YWZLYKJASA-N 1 0 380.467 3.215 20 30 GGEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190611620 1432420334 /nfs/dbraw/zinc/42/03/34/1432420334.db2.gz VPELCLYYGWTHGG-OXQOHEQNSA-N 1 0 392.459 3.178 20 30 GGEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000190617716 1432422480 /nfs/dbraw/zinc/42/24/80/1432422480.db2.gz UYEIPDLTYMMMBI-UXHICEINSA-N 1 0 391.471 3.171 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000190618996 1432422678 /nfs/dbraw/zinc/42/26/78/1432422678.db2.gz STRKJBPLIMLEJV-MBSDFSHPSA-N 1 0 399.498 3.255 20 30 GGEDRO CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 ZINC000190622267 1432423218 /nfs/dbraw/zinc/42/32/18/1432423218.db2.gz JQRYAEGGVNUPLP-WMZOPIPTSA-N 1 0 380.517 3.345 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000190624089 1432423942 /nfs/dbraw/zinc/42/39/42/1432423942.db2.gz QTZASSGWLRCTPK-JXFKEZNVSA-N 1 0 391.471 3.171 20 30 GGEDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000190630334 1432426189 /nfs/dbraw/zinc/42/61/89/1432426189.db2.gz AEXLQYXBSSKRCC-KXBFYZLASA-N 1 0 378.432 3.227 20 30 GGEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190632815 1432426705 /nfs/dbraw/zinc/42/67/05/1432426705.db2.gz ISCOCNDXJZBJSJ-FOIQADDNSA-N 1 0 379.460 3.027 20 30 GGEDRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190634202 1432427365 /nfs/dbraw/zinc/42/73/65/1432427365.db2.gz UELPVCIHJPRRNX-FGZHOGPDSA-N 1 0 395.478 3.036 20 30 GGEDRO CC(=O)Nc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000190721150 1432455766 /nfs/dbraw/zinc/45/57/66/1432455766.db2.gz ZXPNRGWFIPQYPT-UHFFFAOYSA-N 1 0 378.476 3.029 20 30 GGEDRO N#CCc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000190844330 1432504843 /nfs/dbraw/zinc/50/48/43/1432504843.db2.gz BHWTXVIVXVTFPG-NRFANRHFSA-N 1 0 378.476 3.165 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000190973045 1432541262 /nfs/dbraw/zinc/54/12/62/1432541262.db2.gz QKXXXWFPKVBUOZ-HXUWFJFHSA-N 1 0 378.476 3.145 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000191025975 1432552236 /nfs/dbraw/zinc/55/22/36/1432552236.db2.gz WODBCFYSKCJMCK-FQEVSTJZSA-N 1 0 396.466 3.294 20 30 GGEDRO C=CCN(CCOC)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000191102421 1432568507 /nfs/dbraw/zinc/56/85/07/1432568507.db2.gz RGDWAGHGNWQMCA-ZDUSSCGKSA-N 1 0 390.465 3.180 20 30 GGEDRO CC(=O)Nc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1C ZINC000191159785 1432579037 /nfs/dbraw/zinc/57/90/37/1432579037.db2.gz MCRYANFZRCNPMR-UHFFFAOYSA-N 1 0 378.476 3.029 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1C#N ZINC000191195552 1432587691 /nfs/dbraw/zinc/58/76/91/1432587691.db2.gz WMNLBJSVMLCZPM-AWEZNQCLSA-N 1 0 388.397 3.338 20 30 GGEDRO Cc1ccc([C@H](NCc2cc(C#N)n(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000191234667 1432599284 /nfs/dbraw/zinc/59/92/84/1432599284.db2.gz BFTUEPMGRKZOBE-QFIPXVFZSA-N 1 0 393.512 3.488 20 30 GGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191303147 1432626120 /nfs/dbraw/zinc/62/61/20/1432626120.db2.gz DWOXGGVGDWCBDC-UHFFFAOYSA-N 1 0 381.427 3.449 20 30 GGEDRO N#Cc1ccc(OCC[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000191321100 1432631678 /nfs/dbraw/zinc/63/16/78/1432631678.db2.gz XXLHBEQXWINQRY-UHFFFAOYSA-N 1 0 397.426 3.020 20 30 GGEDRO CC(C)(O)C[NH+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000191477287 1432668683 /nfs/dbraw/zinc/66/86/83/1432668683.db2.gz DLJGQYOQGNLTSF-UHFFFAOYSA-N 1 0 377.532 3.275 20 30 GGEDRO CCCn1ccnc1CCC[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191512854 1432676484 /nfs/dbraw/zinc/67/64/84/1432676484.db2.gz NTBGNCCLXUOILQ-HXUWFJFHSA-N 1 0 379.508 3.225 20 30 GGEDRO CCOC(=O)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000191517626 1432677518 /nfs/dbraw/zinc/67/75/18/1432677518.db2.gz YRDZJXNGOJCQRB-JOCHJYFZSA-N 1 0 393.487 3.122 20 30 GGEDRO Cn1cc(N2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000191523327 1432678049 /nfs/dbraw/zinc/67/80/49/1432678049.db2.gz MQBJXJIASBXJAE-UHFFFAOYSA-N 1 0 385.515 3.442 20 30 GGEDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)no1 ZINC000191632751 1432696546 /nfs/dbraw/zinc/69/65/46/1432696546.db2.gz CGNSQROUVKFAOY-UHFFFAOYSA-N 1 0 377.448 3.335 20 30 GGEDRO CCc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1ccccc1C ZINC000191642230 1432698812 /nfs/dbraw/zinc/69/88/12/1432698812.db2.gz BQPCRXJRAXSETN-UHFFFAOYSA-N 1 0 382.512 3.442 20 30 GGEDRO COc1ccc(CN2CCSC[C@H]2c2cnn(C)c2)cc1OCCCC#N ZINC000191744603 1432716328 /nfs/dbraw/zinc/71/63/28/1432716328.db2.gz OTMXGRVPRTXZHD-SFHVURJKSA-N 1 0 386.521 3.401 20 30 GGEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000191808176 1432729780 /nfs/dbraw/zinc/72/97/80/1432729780.db2.gz CILDXXJHTGNURP-FQEVSTJZSA-N 1 0 380.488 3.459 20 30 GGEDRO CC(C)[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000191969556 1432770777 /nfs/dbraw/zinc/77/07/77/1432770777.db2.gz DSEWGTGMAJBDMX-UHFFFAOYSA-N 1 0 385.533 3.230 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000192029703 1432782237 /nfs/dbraw/zinc/78/22/37/1432782237.db2.gz FXAJTPILRVCBQD-RTBURBONSA-N 1 0 390.892 3.105 20 30 GGEDRO CN(C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C1(C#N)CCCCC1 ZINC000192057942 1432789326 /nfs/dbraw/zinc/78/93/26/1432789326.db2.gz BIGBWRICONTKFC-IEBWSBKVSA-N 1 0 375.900 3.444 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000192107681 1432799381 /nfs/dbraw/zinc/79/93/81/1432799381.db2.gz PNXYBGJWJGAMKT-UIAACRFSSA-N 1 0 390.842 3.210 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192125755 1432802133 /nfs/dbraw/zinc/80/21/33/1432802133.db2.gz PGTCDBZXWZOBLR-WMZOPIPTSA-N 1 0 375.375 3.105 20 30 GGEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000192132491 1432803816 /nfs/dbraw/zinc/80/38/16/1432803816.db2.gz ZKINAWOAPGPZNY-TZIWHRDSSA-N 1 0 385.414 3.331 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192133707 1432804109 /nfs/dbraw/zinc/80/41/09/1432804109.db2.gz CYFTXZNEOSSOBB-DOTOQJQBSA-N 1 0 377.416 3.346 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000192135677 1432804467 /nfs/dbraw/zinc/80/44/67/1432804467.db2.gz XJFCBYGCFMMWFW-MORSLUCNSA-N 1 0 377.435 3.116 20 30 GGEDRO COc1ccc2oc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2c1 ZINC000192242592 1432821480 /nfs/dbraw/zinc/82/14/80/1432821480.db2.gz TXRFBKZXZHZVAQ-HXUWFJFHSA-N 1 0 375.428 3.204 20 30 GGEDRO COc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc(Cl)c1OC ZINC000192242176 1432821539 /nfs/dbraw/zinc/82/15/39/1432821539.db2.gz HRTQNACJEWDAOX-SFHVURJKSA-N 1 0 399.878 3.120 20 30 GGEDRO COc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1SC ZINC000192245264 1432821992 /nfs/dbraw/zinc/82/19/92/1432821992.db2.gz YSKSFMNVYWPEPM-SFHVURJKSA-N 1 0 381.501 3.179 20 30 GGEDRO CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000192245277 1432822013 /nfs/dbraw/zinc/82/20/13/1432822013.db2.gz XFJFYVKIPRUPIZ-FQEVSTJZSA-N 1 0 393.487 3.246 20 30 GGEDRO COC(=O)[C@H](C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCC1 ZINC000192379296 1432839456 /nfs/dbraw/zinc/83/94/56/1432839456.db2.gz SPXCXMPDAXREOI-ZDUSSCGKSA-N 1 0 389.521 3.243 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+](CCO)[C@H]3CCc4ccccc43)C2=O)cc1 ZINC000192613947 1432866302 /nfs/dbraw/zinc/86/63/02/1432866302.db2.gz YASMULHVDKTQMR-FCHUYYIVSA-N 1 0 375.472 3.035 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H]3C[C@H](O)c3ccco3)C2=O)cc1 ZINC000192621585 1432867348 /nfs/dbraw/zinc/86/73/48/1432867348.db2.gz SAOTVLPCRFALKP-ZCNNSNEGSA-N 1 0 379.460 3.235 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3(c4ccc(F)cc4)CCOCC3)C2=O)cc1 ZINC000192667942 1432873317 /nfs/dbraw/zinc/87/33/17/1432873317.db2.gz VYZVKMXMMPZAJU-OAQYLSRUSA-N 1 0 393.462 3.488 20 30 GGEDRO CCC(CC)(C[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000192700003 1432876865 /nfs/dbraw/zinc/87/68/65/1432876865.db2.gz JZCTXAJHKWDVDM-GFCCVEGCSA-N 1 0 377.510 3.004 20 30 GGEDRO CC(C)([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)NCC1CCCCC1 ZINC000192715620 1432879255 /nfs/dbraw/zinc/87/92/55/1432879255.db2.gz WJNXAFHWZSKRKU-FQEVSTJZSA-N 1 0 396.535 3.118 20 30 GGEDRO C[N@H+](CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)Cc1ccccc1 ZINC000192851311 1432899021 /nfs/dbraw/zinc/89/90/21/1432899021.db2.gz UBWMRUSXIHVDBQ-UHFFFAOYSA-N 1 0 392.503 3.065 20 30 GGEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)NC(=O)OC(C)(C)C ZINC000192956331 1432912803 /nfs/dbraw/zinc/91/28/03/1432912803.db2.gz CCGBZIOFMUBVAQ-INIZCTEOSA-N 1 0 383.496 3.467 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000192958319 1432913032 /nfs/dbraw/zinc/91/30/32/1432913032.db2.gz AXRZSQILDBJLEY-HXUWFJFHSA-N 1 0 382.533 3.394 20 30 GGEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192980350 1432916299 /nfs/dbraw/zinc/91/62/99/1432916299.db2.gz UXMNUDWYAKPMAP-QGZVFWFLSA-N 1 0 389.908 3.012 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000193049711 1432928042 /nfs/dbraw/zinc/92/80/42/1432928042.db2.gz YRCVGKYUKQGDFK-NRFANRHFSA-N 1 0 392.503 3.028 20 30 GGEDRO COc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1OC ZINC000193103701 1432936493 /nfs/dbraw/zinc/93/64/93/1432936493.db2.gz YYCZEUABMDZXHK-IBGZPJMESA-N 1 0 396.491 3.020 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193146442 1432944706 /nfs/dbraw/zinc/94/47/06/1432944706.db2.gz HCNHWYDFLKZQTQ-HXUWFJFHSA-N 1 0 399.922 3.159 20 30 GGEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cnc(-c4ccco4)s3)C2=O)cc1 ZINC000193244556 1432966626 /nfs/dbraw/zinc/96/66/26/1432966626.db2.gz METVLMBPZZIULC-KRWDZBQOSA-N 1 0 378.457 3.165 20 30 GGEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000193329429 1432980280 /nfs/dbraw/zinc/98/02/80/1432980280.db2.gz KYXZEEIFBPIKRS-UHFFFAOYSA-N 1 0 391.519 3.042 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000193595561 1433026008 /nfs/dbraw/zinc/02/60/08/1433026008.db2.gz GTIWFHNHRWTZCZ-IBGZPJMESA-N 1 0 382.464 3.390 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000193626550 1433030741 /nfs/dbraw/zinc/03/07/41/1433030741.db2.gz PMCKGXVPASAZPB-GOSISDBHSA-N 1 0 394.560 3.020 20 30 GGEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000193659712 1433035864 /nfs/dbraw/zinc/03/58/64/1433035864.db2.gz PTOPQXQMCWTWEG-UHFFFAOYSA-N 1 0 381.436 3.371 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000193671052 1433037690 /nfs/dbraw/zinc/03/76/90/1433037690.db2.gz HTXMGXSLBFIDQK-QGZVFWFLSA-N 1 0 388.414 3.120 20 30 GGEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000193681621 1433039822 /nfs/dbraw/zinc/03/98/22/1433039822.db2.gz LKJSCHXGMRHUCW-HXUWFJFHSA-N 1 0 378.476 3.145 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000193733071 1433049204 /nfs/dbraw/zinc/04/92/04/1433049204.db2.gz GBSCDVSKTDHFIH-UHFFFAOYSA-N 1 0 391.475 3.424 20 30 GGEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193745713 1433051236 /nfs/dbraw/zinc/05/12/36/1433051236.db2.gz ICVXMTOKJGAOOH-MRXNPFEDSA-N 1 0 384.524 3.053 20 30 GGEDRO N#Cc1ccccc1OCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000193755153 1433053157 /nfs/dbraw/zinc/05/31/57/1433053157.db2.gz TUUIYPDESBOCKO-UHFFFAOYSA-N 1 0 382.439 3.362 20 30 GGEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193793836 1433060759 /nfs/dbraw/zinc/06/07/59/1433060759.db2.gz LYBAWLYTQMHLRF-FQEVSTJZSA-N 1 0 377.488 3.354 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193952208 1433091397 /nfs/dbraw/zinc/09/13/97/1433091397.db2.gz KHYULJOPQMFJFL-IRXDYDNUSA-N 1 0 398.551 3.299 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1O2 ZINC000194034897 1433104807 /nfs/dbraw/zinc/10/48/07/1433104807.db2.gz PHTHRVQZTLPUIT-HXUWFJFHSA-N 1 0 375.472 3.471 20 30 GGEDRO COc1ccc([C@H](CNC(=O)c2ccccc2OCC#N)[NH+]2CCCC2)cc1 ZINC000194043874 1433106516 /nfs/dbraw/zinc/10/65/16/1433106516.db2.gz ZYXJOWYABLQMNS-FQEVSTJZSA-N 1 0 379.460 3.164 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)c1ccccc1OCC#N)[NH+]1CCCC1 ZINC000194053182 1433108271 /nfs/dbraw/zinc/10/82/71/1433108271.db2.gz UMJADMLXIJANGX-IBGZPJMESA-N 1 0 379.460 3.164 20 30 GGEDRO N#Cc1ccc([C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000194120952 1433121160 /nfs/dbraw/zinc/12/11/60/1433121160.db2.gz OIDVYWSSFHELLG-LJQANCHMSA-N 1 0 375.394 3.433 20 30 GGEDRO CN(c1ccc(NC(=O)c2ccccc2OCC#N)cc1)C1CC[NH+](C)CC1 ZINC000194183776 1433133878 /nfs/dbraw/zinc/13/38/78/1433133878.db2.gz QPBJAGAASLTETH-UHFFFAOYSA-N 1 0 378.476 3.372 20 30 GGEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194205355 1433138644 /nfs/dbraw/zinc/13/86/44/1433138644.db2.gz WWVXYWSCUMUKHZ-JOCHJYFZSA-N 1 0 392.503 3.137 20 30 GGEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3c[nH]c(C#N)c3)c(OCC)c2)CC1 ZINC000194241224 1433146749 /nfs/dbraw/zinc/14/67/49/1433146749.db2.gz AVUYXYSHDFFKOE-UHFFFAOYSA-N 1 0 381.480 3.069 20 30 GGEDRO N#Cc1cccc(OCC[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000194249050 1433148530 /nfs/dbraw/zinc/14/85/30/1433148530.db2.gz AUUUNYJAOXZYIM-UHFFFAOYSA-N 1 0 382.439 3.362 20 30 GGEDRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000194349149 1433165076 /nfs/dbraw/zinc/16/50/76/1433165076.db2.gz FGEMYIVRGQKTSQ-HXUWFJFHSA-N 1 0 391.475 3.416 20 30 GGEDRO C=CCSCCNC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000194565712 1433198581 /nfs/dbraw/zinc/19/85/81/1433198581.db2.gz QOTBTPVQTADZTO-IRXDYDNUSA-N 1 0 377.554 3.014 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccccn2)n1 ZINC000194604877 1433204555 /nfs/dbraw/zinc/20/45/55/1433204555.db2.gz RNPOVXRZLPDGTF-UHFFFAOYSA-N 1 0 391.500 3.281 20 30 GGEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cc1ccc(C#N)cc1 ZINC000194709564 1433218599 /nfs/dbraw/zinc/21/85/99/1433218599.db2.gz SRIOJXJTCFALRX-UHFFFAOYSA-N 1 0 375.476 3.431 20 30 GGEDRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000194853649 1433248887 /nfs/dbraw/zinc/24/88/87/1433248887.db2.gz AMINCHRBJIIZQV-PGRDOPGGSA-N 1 0 385.508 3.233 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccccc1O2 ZINC000194857585 1433250222 /nfs/dbraw/zinc/25/02/22/1433250222.db2.gz LYMNBQBIMWOMPQ-FQEVSTJZSA-N 1 0 375.472 3.205 20 30 GGEDRO C=CCOc1cccc(C[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCOCC2)c1 ZINC000194884697 1433257054 /nfs/dbraw/zinc/25/70/54/1433257054.db2.gz KJNLDVCTLYVAQC-QHCPKHFHSA-N 1 0 382.504 3.423 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccccn2)n1 ZINC000195079660 1433289842 /nfs/dbraw/zinc/28/98/42/1433289842.db2.gz WNIJOQIWJFEUDF-UHFFFAOYSA-N 1 0 391.500 3.281 20 30 GGEDRO COc1cc(OCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)ccc1C#N ZINC000195092616 1433291292 /nfs/dbraw/zinc/29/12/92/1433291292.db2.gz IRTRPLLZWCJMEU-UHFFFAOYSA-N 1 0 393.487 3.035 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000195141945 1433298609 /nfs/dbraw/zinc/29/86/09/1433298609.db2.gz YENMWKLDEJWVJK-UHFFFAOYSA-N 1 0 379.489 3.214 20 30 GGEDRO CC(C)Oc1ccccc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000195369235 1433323327 /nfs/dbraw/zinc/32/33/27/1433323327.db2.gz ZELIWUGCIMFZGJ-UHFFFAOYSA-N 1 0 379.504 3.478 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000195465105 1433333055 /nfs/dbraw/zinc/33/30/55/1433333055.db2.gz NZKDSAWUEHKLBW-RXVVDRJESA-N 1 0 388.552 3.028 20 30 GGEDRO C[C@@H](NC(=O)/C=C/c1ccccc1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000195526336 1433338448 /nfs/dbraw/zinc/33/84/48/1433338448.db2.gz WTCUUITUMPRJKK-PYUISTEWSA-N 1 0 392.478 3.340 20 30 GGEDRO C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000195604855 1433341111 /nfs/dbraw/zinc/34/11/11/1433341111.db2.gz MSAGXZHRPOXGEN-HZPDHXFCSA-N 1 0 381.442 3.477 20 30 GGEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000195636005 1433342815 /nfs/dbraw/zinc/34/28/15/1433342815.db2.gz QMLATNNJCBGEHK-HZPDHXFCSA-N 1 0 381.442 3.477 20 30 GGEDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000195662850 1433344040 /nfs/dbraw/zinc/34/40/40/1433344040.db2.gz HYSKFCOYMGECQS-OAQYLSRUSA-N 1 0 395.482 3.198 20 30 GGEDRO C#CCOc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2OCC)cc1 ZINC000237053874 1433387377 /nfs/dbraw/zinc/38/73/77/1433387377.db2.gz MOUJNNCEEYNKLD-UHFFFAOYSA-N 1 0 379.504 3.461 20 30 GGEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N(C)C)cc1OC ZINC000237210625 1433392738 /nfs/dbraw/zinc/39/27/38/1433392738.db2.gz PYOUYOFSPOGPNV-OXJNMPFZSA-N 1 0 383.492 3.387 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000237306127 1433396643 /nfs/dbraw/zinc/39/66/43/1433396643.db2.gz GVIXYEYTEBRPEB-OAQYLSRUSA-N 1 0 394.515 3.470 20 30 GGEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N2CCOCC2)cc1 ZINC000237336994 1433398054 /nfs/dbraw/zinc/39/80/54/1433398054.db2.gz VOJOENNDNOTVDI-MBSDFSHPSA-N 1 0 395.503 3.149 20 30 GGEDRO COc1cc2c(c(C[NH2+]C3CCN(c4ccc(C#N)cn4)CC3)c1)O[C@@H](C)C2 ZINC000237392135 1433400363 /nfs/dbraw/zinc/40/03/63/1433400363.db2.gz RNOWRYKIEIKUJV-HNNXBMFYSA-N 1 0 378.476 3.044 20 30 GGEDRO Cc1cccc([C@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N2CCOCC2)c1 ZINC000237491146 1433405899 /nfs/dbraw/zinc/40/58/99/1433405899.db2.gz CKMMPTPVQUUUDX-CVDCTZTESA-N 1 0 379.504 3.449 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000237489483 1433405924 /nfs/dbraw/zinc/40/59/24/1433405924.db2.gz BJEKZSWSLUWQQQ-HTAPYJJXSA-N 1 0 383.467 3.280 20 30 GGEDRO Cc1cccc([C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N2CCOCC2)c1 ZINC000237489525 1433405931 /nfs/dbraw/zinc/40/59/31/1433405931.db2.gz CKMMPTPVQUUUDX-WMZHIEFXSA-N 1 0 379.504 3.449 20 30 GGEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)N2CCOCC2)cc1 ZINC000237497401 1433406558 /nfs/dbraw/zinc/40/65/58/1433406558.db2.gz VOJOENNDNOTVDI-FDDCHVKYSA-N 1 0 395.503 3.149 20 30 GGEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000237503519 1433407135 /nfs/dbraw/zinc/40/71/35/1433407135.db2.gz HTASSUPSGOYOSE-DLBZAZTESA-N 1 0 393.487 3.486 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000237595144 1433411367 /nfs/dbraw/zinc/41/13/67/1433411367.db2.gz BJEKZSWSLUWQQQ-VGOFRKELSA-N 1 0 383.467 3.280 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000237596353 1433411378 /nfs/dbraw/zinc/41/13/78/1433411378.db2.gz BJEKZSWSLUWQQQ-VGSWGCGISA-N 1 0 383.467 3.280 20 30 GGEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237705609 1433418122 /nfs/dbraw/zinc/41/81/22/1433418122.db2.gz QXVZMVDDJRHOBE-JKSUJKDBSA-N 1 0 387.505 3.079 20 30 GGEDRO C=CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000237746254 1433420814 /nfs/dbraw/zinc/42/08/14/1433420814.db2.gz XKROURRIVLYIRV-UHFFFAOYSA-N 1 0 394.924 3.281 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000237823157 1433426244 /nfs/dbraw/zinc/42/62/44/1433426244.db2.gz SCEBJCAJQWPAFF-QHCPKHFHSA-N 1 0 379.504 3.360 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)CN2CC[N@H+](C)CC23CCCCC3)c(OC)c1 ZINC000245433222 1433466447 /nfs/dbraw/zinc/46/64/47/1433466447.db2.gz PCGLOEPFSVFWHZ-HXUWFJFHSA-N 1 0 388.552 3.114 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245444300 1433468867 /nfs/dbraw/zinc/46/88/67/1433468867.db2.gz JMUFTBSZBFZPNS-PMACEKPBSA-N 1 0 398.551 3.138 20 30 GGEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000245463502 1433473420 /nfs/dbraw/zinc/47/34/20/1433473420.db2.gz XLUMRPSGLUSIHX-IRLDBZIGSA-N 1 0 375.472 3.202 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000245556127 1433484790 /nfs/dbraw/zinc/48/47/90/1433484790.db2.gz UEVLCDIJQXZIIB-NUJGCVRESA-N 1 0 375.538 3.360 20 30 GGEDRO C#Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000245586071 1433488068 /nfs/dbraw/zinc/48/80/68/1433488068.db2.gz MHWZNLFMUCIWSS-FGZHOGPDSA-N 1 0 382.552 3.469 20 30 GGEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3C#N)ccc2NC1=O ZINC000245586078 1433488090 /nfs/dbraw/zinc/48/80/90/1433488090.db2.gz AISRXKNGLBGBAY-KSMMKXTCSA-N 1 0 392.459 3.346 20 30 GGEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000245681194 1433498585 /nfs/dbraw/zinc/49/85/85/1433498585.db2.gz KNZHKEIJNFFVSL-KURKYZTESA-N 1 0 384.524 3.150 20 30 GGEDRO C#CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000245696014 1433501779 /nfs/dbraw/zinc/50/17/79/1433501779.db2.gz KNXCLDPJJATGNN-XZOQPEGZSA-N 1 0 397.563 3.108 20 30 GGEDRO C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245698617 1433502229 /nfs/dbraw/zinc/50/22/29/1433502229.db2.gz MZPOSDFTDKSBSH-MAUKXSAKSA-N 1 0 378.879 3.417 20 30 GGEDRO CN1CCO[C@H]([C@@H](NC(=O)CCc2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000245713005 1433504527 /nfs/dbraw/zinc/50/45/27/1433504527.db2.gz FWTZOHRNWPEBHN-UNMCSNQZSA-N 1 0 397.906 3.332 20 30 GGEDRO CN1CCO[C@@H]([C@@H](NC(=O)CCc2ccc(C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000245713002 1433504562 /nfs/dbraw/zinc/50/45/62/1433504562.db2.gz FWTZOHRNWPEBHN-IRLDBZIGSA-N 1 0 397.906 3.332 20 30 GGEDRO CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245737962 1433508926 /nfs/dbraw/zinc/50/89/26/1433508926.db2.gz UEZRLEAXMMPAOW-GOHHFNLLSA-N 1 0 394.563 3.367 20 30 GGEDRO C#CCSCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245752930 1433511876 /nfs/dbraw/zinc/51/18/76/1433511876.db2.gz XZTFADDUADNSBR-RHSMWYFYSA-N 1 0 383.920 3.138 20 30 GGEDRO CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245757267 1433512382 /nfs/dbraw/zinc/51/23/82/1433512382.db2.gz YUXWTJFUDKHWCZ-DHIUTWEWSA-N 1 0 396.579 3.286 20 30 GGEDRO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCc2ccccc21 ZINC000245838065 1433524055 /nfs/dbraw/zinc/52/40/55/1433524055.db2.gz BQLKKKBXNWTLRG-PMACEKPBSA-N 1 0 394.544 3.076 20 30 GGEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245868094 1433530604 /nfs/dbraw/zinc/53/06/04/1433530604.db2.gz KJUBUPMSKPTXJG-FCGDIQPGSA-N 1 0 386.565 3.110 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245885995 1433534104 /nfs/dbraw/zinc/53/41/04/1433534104.db2.gz NVYPYWRRKCKPBV-ROUUACIJSA-N 1 0 386.565 3.339 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000246018710 1433558588 /nfs/dbraw/zinc/55/85/88/1433558588.db2.gz URNQQBHRMNXPLF-KKSFZXQISA-N 1 0 378.476 3.039 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000246101176 1433568955 /nfs/dbraw/zinc/56/89/55/1433568955.db2.gz MGQDKDHPJJTNSN-HZPDHXFCSA-N 1 0 395.956 3.487 20 30 GGEDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246170757 1433577464 /nfs/dbraw/zinc/57/74/64/1433577464.db2.gz RYKYICCJIPFUHI-CGYQNGNCSA-N 1 0 388.471 3.161 20 30 GGEDRO N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2=O)cc1 ZINC000246172624 1433577709 /nfs/dbraw/zinc/57/77/09/1433577709.db2.gz PZEBKMCAXPLFBZ-RBBKRZOGSA-N 1 0 380.536 3.252 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246174262 1433577856 /nfs/dbraw/zinc/57/78/56/1433577856.db2.gz JONYGUCSIZPEQA-ROUUACIJSA-N 1 0 386.565 3.295 20 30 GGEDRO C[C@@H]1CN([C@H](C[NH2+]Cc2ccc(C#N)o2)c2c(F)cccc2Cl)CCO1 ZINC000246188300 1433579668 /nfs/dbraw/zinc/57/96/68/1433579668.db2.gz NWOXEQPCUPXCTK-FZKQIMNGSA-N 1 0 377.847 3.495 20 30 GGEDRO N#Cc1ccc(N2CC[C@H](N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000246249143 1433586251 /nfs/dbraw/zinc/58/62/51/1433586251.db2.gz YYPKGYBLFJFMSR-QFIPXVFZSA-N 1 0 392.478 3.011 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)c1C#N ZINC000246251046 1433586538 /nfs/dbraw/zinc/58/65/38/1433586538.db2.gz GSVWOPZLRYFSIE-OXQOHEQNSA-N 1 0 398.482 3.136 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)c(OC)c1 ZINC000246251821 1433586546 /nfs/dbraw/zinc/58/65/46/1433586546.db2.gz ZVNQJEFNTXAPIJ-LEWJYISDSA-N 1 0 388.552 3.114 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246273311 1433588399 /nfs/dbraw/zinc/58/83/99/1433588399.db2.gz BEDNMAXGFCJXTC-NQIIRXRSSA-N 1 0 399.583 3.459 20 30 GGEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246409755 1433608811 /nfs/dbraw/zinc/60/88/11/1433608811.db2.gz QELLNJGUICPNHU-HZPDHXFCSA-N 1 0 388.537 3.010 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246429737 1433611864 /nfs/dbraw/zinc/61/18/64/1433611864.db2.gz CNKLEJUEPIWHDH-UXPWSPDFSA-N 1 0 387.499 3.445 20 30 GGEDRO N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000246450096 1433614618 /nfs/dbraw/zinc/61/46/18/1433614618.db2.gz MRLMOECKPCXKPI-HKUYNNGSSA-N 1 0 386.565 3.313 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000246453740 1433615339 /nfs/dbraw/zinc/61/53/39/1433615339.db2.gz FCBZPXJQFIXQSQ-KCZVDYSFSA-N 1 0 397.567 3.231 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000246456992 1433615639 /nfs/dbraw/zinc/61/56/39/1433615639.db2.gz FOZSOLBBCSUBRE-IXDOHACOSA-N 1 0 384.524 3.229 20 30 GGEDRO N#Cc1ccc(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000246481121 1433619308 /nfs/dbraw/zinc/61/93/08/1433619308.db2.gz GNXYBSOSMKGUMJ-JXFKEZNVSA-N 1 0 386.927 3.489 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](C)O)c1C#N ZINC000246489089 1433620139 /nfs/dbraw/zinc/62/01/39/1433620139.db2.gz AORZUGPEZNEQCS-LIRRHRJNSA-N 1 0 398.482 3.279 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246493254 1433620553 /nfs/dbraw/zinc/62/05/53/1433620553.db2.gz PMDKGZIWGQBFLR-LZLYRXPVSA-N 1 0 388.537 3.265 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246563691 1433631978 /nfs/dbraw/zinc/63/19/78/1433631978.db2.gz LAUITVKRPLQGNM-PTSWNOGYSA-N 1 0 386.927 3.487 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCC[C@H]1O ZINC000246575190 1433633546 /nfs/dbraw/zinc/63/35/46/1433633546.db2.gz LZFXDNMXSHVKFJ-WMLDXEAASA-N 1 0 375.538 3.310 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000246590072 1433635581 /nfs/dbraw/zinc/63/55/81/1433635581.db2.gz CPRRRQUYHYNSPG-FUHWJXTLSA-N 1 0 379.426 3.183 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000246722664 1433655361 /nfs/dbraw/zinc/65/53/61/1433655361.db2.gz MACITSQIJUTDNO-IRXDYDNUSA-N 1 0 390.553 3.439 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246809861 1433671502 /nfs/dbraw/zinc/67/15/02/1433671502.db2.gz NGPCEXLWMDIEHX-TUNNFDKTSA-N 1 0 384.451 3.025 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000246809903 1433671760 /nfs/dbraw/zinc/67/17/60/1433671760.db2.gz NGPCEXLWMDIEHX-VWPQPMDRSA-N 1 0 384.451 3.025 20 30 GGEDRO C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@H]1C ZINC000246898513 1433684568 /nfs/dbraw/zinc/68/45/68/1433684568.db2.gz FMZOCJCWVVPOAV-FGTMMUONSA-N 1 0 398.551 3.476 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)C1 ZINC000247286118 1433700656 /nfs/dbraw/zinc/70/06/56/1433700656.db2.gz SSQGDOYMLSVZSA-FUHWJXTLSA-N 1 0 389.544 3.373 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H](C)C1 ZINC000247299289 1433701866 /nfs/dbraw/zinc/70/18/66/1433701866.db2.gz UVKGWELAFUFYRL-AVRDEDQJSA-N 1 0 398.551 3.369 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000247326480 1433706949 /nfs/dbraw/zinc/70/69/49/1433706949.db2.gz YACGLFXLCWHFBH-GGAORHGYSA-N 1 0 380.488 3.022 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccccc1OCC#N ZINC000247344880 1433709982 /nfs/dbraw/zinc/70/99/82/1433709982.db2.gz JQMQEGPFQVMHMI-OEWRPIJISA-N 1 0 377.488 3.475 20 30 GGEDRO C=CCOc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000247512921 1433731568 /nfs/dbraw/zinc/73/15/68/1433731568.db2.gz NHJMEQVVWLLACZ-SIKLNZKXSA-N 1 0 395.503 3.256 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1Cl ZINC000247657372 1433744082 /nfs/dbraw/zinc/74/40/82/1433744082.db2.gz XJIRKWDROKNYMJ-XLIONFOSSA-N 1 0 398.894 3.216 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000247683575 1433745873 /nfs/dbraw/zinc/74/58/73/1433745873.db2.gz RXPCTLZJGITZFL-SBHAEUEKSA-N 1 0 384.476 3.259 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COc1ccccc1C#N ZINC000247674649 1433745954 /nfs/dbraw/zinc/74/59/54/1433745954.db2.gz YYTUHWJYMQGTSS-CYGODWOOSA-N 1 0 377.488 3.210 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000247683571 1433746053 /nfs/dbraw/zinc/74/60/53/1433746053.db2.gz RXPCTLZJGITZFL-QKNQBKEWSA-N 1 0 384.476 3.259 20 30 GGEDRO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000248046658 1433766001 /nfs/dbraw/zinc/76/60/01/1433766001.db2.gz MPKSLWWXFPYEKH-LJQANCHMSA-N 1 0 382.552 3.246 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000248121930 1433770878 /nfs/dbraw/zinc/77/08/78/1433770878.db2.gz NMMTYHNFCBIKBK-PXNSSMCTSA-N 1 0 388.943 3.311 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248124436 1433771580 /nfs/dbraw/zinc/77/15/80/1433771580.db2.gz NTSMAQXLNQDUNN-GIWBLDEGSA-N 1 0 382.552 3.027 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1sccc1C#N ZINC000248393099 1433794705 /nfs/dbraw/zinc/79/47/05/1433794705.db2.gz GFCCISTXLAOYBA-IGOJGBNBSA-N 1 0 382.533 3.304 20 30 GGEDRO COC(=O)[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000248426291 1433801797 /nfs/dbraw/zinc/80/17/97/1433801797.db2.gz MPGDAMFEXGIOAR-FGZHOGPDSA-N 1 0 377.488 3.273 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)[C@H](C)C1 ZINC000248521401 1433806675 /nfs/dbraw/zinc/80/66/75/1433806675.db2.gz BMELENCQHIHDSY-KURKYZTESA-N 1 0 388.512 3.236 20 30 GGEDRO C[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248556059 1433808112 /nfs/dbraw/zinc/80/81/12/1433808112.db2.gz KREBYGXKEHKJRY-QZTJIDSGSA-N 1 0 398.551 3.478 20 30 GGEDRO C[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248556061 1433808121 /nfs/dbraw/zinc/80/81/21/1433808121.db2.gz KREBYGXKEHKJRY-ZWKOTPCHSA-N 1 0 398.551 3.478 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H](C)c1ccccc1 ZINC000248576209 1433809367 /nfs/dbraw/zinc/80/93/67/1433809367.db2.gz NMSZJYAJOCJBGH-WSTZPKSXSA-N 1 0 396.560 3.239 20 30 GGEDRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248743335 1433819340 /nfs/dbraw/zinc/81/93/40/1433819340.db2.gz MSNRSZFXLXZPIA-LOWSOADQSA-N 1 0 395.528 3.484 20 30 GGEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248777667 1433821979 /nfs/dbraw/zinc/82/19/79/1433821979.db2.gz USBLUWLMUOYSHL-DSKINZAPSA-N 1 0 396.535 3.070 20 30 GGEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248777678 1433822051 /nfs/dbraw/zinc/82/20/51/1433822051.db2.gz USBLUWLMUOYSHL-QFUCXCTJSA-N 1 0 396.535 3.070 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](CCO)[C@H]3CCc4ccccc43)C2=O)cc1 ZINC000248792852 1433822864 /nfs/dbraw/zinc/82/28/64/1433822864.db2.gz YASMULHVDKTQMR-VXKWHMMOSA-N 1 0 375.472 3.035 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](CCO)[C@@H]3CCc4ccccc43)C2=O)cc1 ZINC000248792855 1433822891 /nfs/dbraw/zinc/82/28/91/1433822891.db2.gz YASMULHVDKTQMR-YADHBBJMSA-N 1 0 375.472 3.035 20 30 GGEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)C1 ZINC000248975978 1433831279 /nfs/dbraw/zinc/83/12/79/1433831279.db2.gz DVWZQMXDBGCHRU-LEOXJPRUSA-N 1 0 394.563 3.292 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000249002241 1433832097 /nfs/dbraw/zinc/83/20/97/1433832097.db2.gz IOELCSHAKOKMCV-QGTPRVQTSA-N 1 0 375.900 3.491 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000249002246 1433832105 /nfs/dbraw/zinc/83/21/05/1433832105.db2.gz IOELCSHAKOKMCV-WBAXXEDZSA-N 1 0 375.900 3.491 20 30 GGEDRO N#Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1O ZINC000249038414 1433832879 /nfs/dbraw/zinc/83/28/79/1433832879.db2.gz COOVIRNYQCCLCQ-NHCUHLMSSA-N 1 0 375.472 3.391 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000249064057 1433833519 /nfs/dbraw/zinc/83/35/19/1433833519.db2.gz PNXYBGJWJGAMKT-YSGRDPCXSA-N 1 0 390.842 3.210 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)NC1(C#N)CCCCC1 ZINC000249125982 1433836596 /nfs/dbraw/zinc/83/65/96/1433836596.db2.gz XJFCBYGCFMMWFW-KKXDTOCCSA-N 1 0 377.435 3.116 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249323810 1433841412 /nfs/dbraw/zinc/84/14/12/1433841412.db2.gz GOMRKJKWXQZOSV-CVEARBPZSA-N 1 0 390.553 3.247 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249369386 1433841863 /nfs/dbraw/zinc/84/18/63/1433841863.db2.gz NCYWCHGUTLZDNM-HZPDHXFCSA-N 1 0 390.553 3.390 20 30 GGEDRO C=C[C@@H](CC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000249517728 1433845923 /nfs/dbraw/zinc/84/59/23/1433845923.db2.gz SLWPBHNHKDHAHX-URXFXBBRSA-N 1 0 378.516 3.442 20 30 GGEDRO C[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000249840502 1433852987 /nfs/dbraw/zinc/85/29/87/1433852987.db2.gz WGBMLTAYLGADKQ-ZWKOTPCHSA-N 1 0 398.551 3.478 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c(OC)c1 ZINC000249870257 1433853388 /nfs/dbraw/zinc/85/33/88/1433853388.db2.gz JPCIGHQYFJXYEI-MSOLQXFVSA-N 1 0 388.533 3.500 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000250198935 1433855004 /nfs/dbraw/zinc/85/50/04/1433855004.db2.gz AXEGAKAGDSMTKQ-OTWHNJEPSA-N 1 0 386.540 3.083 20 30 GGEDRO CC1CC[NH+](C[C@@H]2CCCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000251701411 1433860043 /nfs/dbraw/zinc/86/00/43/1433860043.db2.gz OCKSHLBGXJKNDT-UNMCSNQZSA-N 1 0 380.536 3.107 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000253273897 1433865395 /nfs/dbraw/zinc/86/53/95/1433865395.db2.gz FCNQBKRMCOFQNV-LPHOPBHVSA-N 1 0 396.453 3.310 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000253273898 1433865466 /nfs/dbraw/zinc/86/54/66/1433865466.db2.gz FCNQBKRMCOFQNV-QFBILLFUSA-N 1 0 396.453 3.310 20 30 GGEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H](C)[C@H]1OC ZINC000253335864 1433865586 /nfs/dbraw/zinc/86/55/86/1433865586.db2.gz ATWYATSQDWVEGD-CWFSZBLJSA-N 1 0 395.507 3.112 20 30 GGEDRO CON=Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000255303118 1433879778 /nfs/dbraw/zinc/87/97/78/1433879778.db2.gz MJQQWQZQUBDCFC-UHFFFAOYSA-N 1 0 395.503 3.318 20 30 GGEDRO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000255337531 1433880774 /nfs/dbraw/zinc/88/07/74/1433880774.db2.gz ZUFFYSHVNIQILI-TZIWHRDSSA-N 1 0 385.508 3.055 20 30 GGEDRO Cc1c([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cnn1-c1cccc(Cl)c1 ZINC000255337835 1433880798 /nfs/dbraw/zinc/88/07/98/1433880798.db2.gz OGOUNFBROFFSPR-XEXOPBTESA-N 1 0 399.882 3.011 20 30 GGEDRO C=CCn1c(C)cc(C(=O)CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1C ZINC000255363769 1433881363 /nfs/dbraw/zinc/88/13/63/1433881363.db2.gz DUIVYASZBBXVTB-UHFFFAOYSA-N 1 0 381.476 3.361 20 30 GGEDRO C[C@@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000255381532 1433881920 /nfs/dbraw/zinc/88/19/20/1433881920.db2.gz HDXQTVBBMPMPPE-ZWKOTPCHSA-N 1 0 393.487 3.240 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CC(=O)N(CCOc3ccccc3)C2)c(O)c1 ZINC000255503335 1433883771 /nfs/dbraw/zinc/88/37/71/1433883771.db2.gz PXJRDECPOCQOJJ-UZXDDYOISA-N 1 0 395.503 3.337 20 30 GGEDRO Cc1ccc(NC(=O)[C@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000255520132 1433884277 /nfs/dbraw/zinc/88/42/77/1433884277.db2.gz QUDJGSKZBGZKTH-INIZCTEOSA-N 1 0 385.439 3.348 20 30 GGEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)/C=C\c3ccccc3C#N)CC2)cc1 ZINC000255551986 1433884882 /nfs/dbraw/zinc/88/48/82/1433884882.db2.gz CBYRNKMJFAGPBW-XFXZXTDPSA-N 1 0 375.472 3.315 20 30 GGEDRO O=C(NCC[NH2+][C@H](CCc1ccccc1)c1ccccc1)C1N=CC=CC1=O ZINC000255583509 1433885887 /nfs/dbraw/zinc/88/58/87/1433885887.db2.gz VGDVNYOHNOEGQX-QAHCAUCSSA-N 1 0 375.472 3.477 20 30 GGEDRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255710747 1433888254 /nfs/dbraw/zinc/88/82/54/1433888254.db2.gz LMPDILUTVULDCQ-RBUKOAKNSA-N 1 0 395.503 3.448 20 30 GGEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccccc1OCc1ccccc1 ZINC000255842719 1433889997 /nfs/dbraw/zinc/88/99/97/1433889997.db2.gz JVCYVRQVHOEUOX-AWZKZOKMSA-N 1 0 391.471 3.443 20 30 GGEDRO CON=Cc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000255844623 1433890048 /nfs/dbraw/zinc/89/00/48/1433890048.db2.gz NDVCXCOOSPTSND-HXUWFJFHSA-N 1 0 393.487 3.385 20 30 GGEDRO CCN(C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000255953637 1433892561 /nfs/dbraw/zinc/89/25/61/1433892561.db2.gz IUQSYUMCWPJMCT-UYAOXDASSA-N 1 0 393.487 3.484 20 30 GGEDRO C[NH+]=C(NCCc1cc(Cl)ccc1Br)N1CC[C@H](COC)C1 ZINC000261610656 1433897209 /nfs/dbraw/zinc/89/72/09/1433897209.db2.gz AQYRGXJFIRJWAY-LBPRGKRZSA-N 1 0 388.737 3.189 20 30 GGEDRO C[NH+]=C(NCc1cc(Cl)c2c(c1)OCCCO2)N(C)CCC1CCOCC1 ZINC000261656688 1433898255 /nfs/dbraw/zinc/89/82/55/1433898255.db2.gz ANOUZRPHWYXEEP-UHFFFAOYSA-N 1 0 395.931 3.325 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCCS1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000261658887 1433898333 /nfs/dbraw/zinc/89/83/33/1433898333.db2.gz AKRNDNJGWVGQEJ-HNNXBMFYSA-N 1 0 381.973 3.449 20 30 GGEDRO CC[NH+]=C(NC[C@H](O)c1cc2ccccc2s1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000261660567 1433898488 /nfs/dbraw/zinc/89/84/88/1433898488.db2.gz BAAMOSFCFMQWPA-ILRDRHFLSA-N 1 0 387.549 3.303 20 30 GGEDRO C[NH+]=C(Nc1cc(OC)c(OC)c(OC)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000261666836 1433898582 /nfs/dbraw/zinc/89/85/82/1433898582.db2.gz GLKLAGWMJPNHQE-NIKGAXFTSA-N 1 0 389.496 3.047 20 30 GGEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCSC2(CCCCC2)C1 ZINC000261692958 1433899235 /nfs/dbraw/zinc/89/92/35/1433899235.db2.gz FHQZCPGHIQOYGQ-UHFFFAOYSA-N 1 0 384.553 3.094 20 30 GGEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261717549 1433899843 /nfs/dbraw/zinc/89/98/43/1433899843.db2.gz WEXKSTMNLMNQJV-QXCZDIPSSA-N 1 0 377.573 3.340 20 30 GGEDRO C[NH+]=C(NC[C@H]1CCN(CC(F)(F)F)C1)N1CCSC2(CCCCC2)C1 ZINC000261730045 1433900165 /nfs/dbraw/zinc/90/01/65/1433900165.db2.gz JJXBPMRNOTYDKF-OAHLLOKOSA-N 1 0 392.535 3.198 20 30 GGEDRO CC[NH+]=C(NCCc1nc(C)c(C)s1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261732946 1433900866 /nfs/dbraw/zinc/90/08/66/1433900866.db2.gz JRNDRXWZSLPBTN-JQHSSLGASA-N 1 0 376.570 3.205 20 30 GGEDRO C[NH+]=C(NCCc1nc(C)c(C)s1)NCc1csc(Br)c1 ZINC000261746688 1433901239 /nfs/dbraw/zinc/90/12/39/1433901239.db2.gz LJFQVNPFJLTEJD-UHFFFAOYSA-N 1 0 387.372 3.492 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261758183 1433902129 /nfs/dbraw/zinc/90/21/29/1433902129.db2.gz OALUUDMYMQBLMI-KGLIPLIRSA-N 1 0 386.466 3.038 20 30 GGEDRO C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N1CCN(c2cccs2)CC1 ZINC000261795765 1433904501 /nfs/dbraw/zinc/90/45/01/1433904501.db2.gz QWJMKTMEGKFGFE-UHFFFAOYSA-N 1 0 380.521 3.036 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000261813877 1433904899 /nfs/dbraw/zinc/90/48/99/1433904899.db2.gz SXXSGLBWLRZYHS-MJGOQNOKSA-N 1 0 380.540 3.206 20 30 GGEDRO C[NH+]=C(NCc1nc(C)c(C)s1)N(C)Cc1cc(Br)cn1C ZINC000261804107 1433904964 /nfs/dbraw/zinc/90/49/64/1433904964.db2.gz RVHUWUUAKHJRLX-UHFFFAOYSA-N 1 0 384.347 3.068 20 30 GGEDRO C[NH+]=C(NCc1csc(Br)c1)NC[C@](C)(O)c1cccs1 ZINC000261870983 1433908239 /nfs/dbraw/zinc/90/82/39/1433908239.db2.gz ZPSRSRBBBDHWIN-AWEZNQCLSA-N 1 0 388.356 3.145 20 30 GGEDRO CC[NH+]=C(NCC1(CO)CCOCC1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261870108 1433908362 /nfs/dbraw/zinc/90/83/62/1433908362.db2.gz VDFVTSCGVQASAY-XMMPIXPASA-N 1 0 399.579 3.111 20 30 GGEDRO CC[NH+]=C(NCC1(CO)CCOCC1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261870106 1433908492 /nfs/dbraw/zinc/90/84/92/1433908492.db2.gz VDFVTSCGVQASAY-DEOSSOPVSA-N 1 0 399.579 3.111 20 30 GGEDRO CC[C@]1(C)CCN(C(N[C@@H]2CCOc3ccccc32)=[NH+]Cc2nnc(C)n2C)C1 ZINC000261938743 1433914125 /nfs/dbraw/zinc/91/41/25/1433914125.db2.gz CYXYLMQXGXYNBM-XMSQKQJNSA-N 1 0 396.539 3.215 20 30 GGEDRO Cc1nnc(C[NH+]=C(NCc2cccs2)N2CCc3ccc(F)cc3C2)n1C ZINC000261948014 1433915291 /nfs/dbraw/zinc/91/52/91/1433915291.db2.gz GKRXEVUKAZVDOO-UHFFFAOYSA-N 1 0 398.511 3.028 20 30 GGEDRO CC[NH+]=C(NCc1ccc(OC)cc1C(F)(F)F)N1CC[C@@]2(CCOC2)C1 ZINC000261948125 1433915324 /nfs/dbraw/zinc/91/53/24/1433915324.db2.gz GMGHFUJVNYNUBW-GOSISDBHSA-N 1 0 385.430 3.292 20 30 GGEDRO C[NH+]=C(NCc1cc(C)ccc1OC(F)F)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000261949382 1433915455 /nfs/dbraw/zinc/91/54/55/1433915455.db2.gz GWZPQQRYLJSJBP-USXIJHARSA-N 1 0 381.467 3.465 20 30 GGEDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=[NH2+])Nc3ccccc3)cc2)C1 ZINC000261954205 1433915775 /nfs/dbraw/zinc/91/57/75/1433915775.db2.gz IFTAUDPWSDLNLS-MRXNPFEDSA-N 1 0 386.521 3.034 20 30 GGEDRO CC[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CCN(c2cccs2)CC1 ZINC000261950659 1433916021 /nfs/dbraw/zinc/91/60/21/1433916021.db2.gz HFVNUALEGOYOIY-UHFFFAOYSA-N 1 0 375.542 3.321 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCCC2)N2CC[C@H](Cc3ccccc3)C2)n1C ZINC000261955110 1433916073 /nfs/dbraw/zinc/91/60/73/1433916073.db2.gz IMOXZMIQNURLTG-HXUWFJFHSA-N 1 0 394.567 3.466 20 30 GGEDRO C[NH+]=C(NCc1csc(Br)c1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261960397 1433916259 /nfs/dbraw/zinc/91/62/59/1433916259.db2.gz JZPXFFXCPYNCOJ-JSGCOSHPSA-N 1 0 396.358 3.366 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2Cl)CCOCC1)N(C)Cc1cccn1C ZINC000261961306 1433916857 /nfs/dbraw/zinc/91/68/57/1433916857.db2.gz KGUUXSHWTPZTDQ-UHFFFAOYSA-N 1 0 388.943 3.434 20 30 GGEDRO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCc2sccc2C1 ZINC000261963646 1433916897 /nfs/dbraw/zinc/91/68/97/1433916897.db2.gz AFWACMVYQUBRTG-CQSZACIVSA-N 1 0 386.521 3.083 20 30 GGEDRO CC[NH+]=C(NCc1ccccc1-n1nc(C)cc1C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000261967780 1433917328 /nfs/dbraw/zinc/91/73/28/1433917328.db2.gz LVTATZNUMFIFQO-CEWLAPEOSA-N 1 0 395.551 3.358 20 30 GGEDRO COc1ccccc1N1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000261966745 1433917339 /nfs/dbraw/zinc/91/73/39/1433917339.db2.gz BPKOTRPDCSCBKM-MRXNPFEDSA-N 1 0 396.491 3.110 20 30 GGEDRO [NH2+]=C(NCc1ccnc(OC2CCCC2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000261965870 1433917663 /nfs/dbraw/zinc/91/76/63/1433917663.db2.gz BEXFNOOHAXXTHQ-UHFFFAOYSA-N 1 0 382.464 3.491 20 30 GGEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCC(C)CC1)N1CC[C@]2(CCOC2)C1 ZINC000261970657 1433917967 /nfs/dbraw/zinc/91/79/67/1433917967.db2.gz MRMLPPZXIICXDW-NQIIRXRSSA-N 1 0 390.597 3.209 20 30 GGEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261970908 1433918126 /nfs/dbraw/zinc/91/81/26/1433918126.db2.gz MTEDODRRTHOLJC-OMZCGLGVSA-N 1 0 385.556 3.079 20 30 GGEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261970906 1433918240 /nfs/dbraw/zinc/91/82/40/1433918240.db2.gz MTEDODRRTHOLJC-FSGKZVOOSA-N 1 0 385.556 3.079 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(Cl)c2)CCOCC1)N(C)Cc1cccn1C ZINC000261983349 1433919022 /nfs/dbraw/zinc/91/90/22/1433919022.db2.gz PJSHESJWSHXWJH-UHFFFAOYSA-N 1 0 388.943 3.434 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261982065 1433919122 /nfs/dbraw/zinc/91/91/22/1433919122.db2.gz PDDPRCLRBRASDB-DBVUQKKJSA-N 1 0 381.524 3.288 20 30 GGEDRO CS[C@@H]1CCC[C@H](NC(NCc2nnc(C)n2C)=[NH+]C2CCCCC2)C1 ZINC000261988919 1433919516 /nfs/dbraw/zinc/91/95/16/1433919516.db2.gz QWFSJMLIEXCYLV-DLBZAZTESA-N 1 0 378.590 3.166 20 30 GGEDRO C[NH+]=C(NC[C@H](O)c1cc2ccccc2s1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261989603 1433919682 /nfs/dbraw/zinc/91/96/82/1433919682.db2.gz QZLVGWFPCLLYJA-SAKMYQHLSA-N 1 0 387.549 3.303 20 30 GGEDRO C[NH+]=C(NC[C@H](O)c1cc2ccccc2s1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000261989600 1433919794 /nfs/dbraw/zinc/91/97/94/1433919794.db2.gz QZLVGWFPCLLYJA-ILRDRHFLSA-N 1 0 387.549 3.303 20 30 GGEDRO C[NH+]=C(NCc1ccc2c(c1)COC2)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000261993998 1433919992 /nfs/dbraw/zinc/91/99/92/1433919992.db2.gz SQSKMXPAJWULHM-SFHVURJKSA-N 1 0 394.302 3.422 20 30 GGEDRO Cc1nnc(CNC(N[C@H]2CCOc3ccccc32)=[NH+]CC2CCCCC2)n1C ZINC000261993001 1433920083 /nfs/dbraw/zinc/92/00/83/1433920083.db2.gz RUTLFSWHAFILOB-IBGZPJMESA-N 1 0 396.539 3.263 20 30 GGEDRO Cc1nnc(CNC(N[C@@H]2CC3(CCCC3)Oc3ccccc32)=[NH+]C2CC2)n1C ZINC000261995946 1433920141 /nfs/dbraw/zinc/92/01/41/1433920141.db2.gz SINKCSVGWOEXQL-GOSISDBHSA-N 1 0 394.523 3.158 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000261996012 1433920788 /nfs/dbraw/zinc/92/07/88/1433920788.db2.gz SLIVBMZJCHWATC-QGZVFWFLSA-N 1 0 395.555 3.031 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N(C)Cc1cc(Cl)cn1C ZINC000262000675 1433921207 /nfs/dbraw/zinc/92/12/07/1433921207.db2.gz UICZSXXGQISACQ-UHFFFAOYSA-N 1 0 379.839 3.361 20 30 GGEDRO C[NH+]=C(NCc1cn2ccccc2n1)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000262002121 1433921277 /nfs/dbraw/zinc/92/12/77/1433921277.db2.gz UQQSMHAUPCTBEP-KRWDZBQOSA-N 1 0 376.508 3.361 20 30 GGEDRO C[NH+]=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CC[C@@]2(CCOC2)C1 ZINC000262012302 1433921558 /nfs/dbraw/zinc/92/15/58/1433921558.db2.gz WWXZMPSHBGLNRG-OAQYLSRUSA-N 1 0 384.455 3.201 20 30 GGEDRO Cc1nnc(CNC(N[C@@H]2CCOc3ccccc32)=[NH+][C@@H]2CCC[C@@H](C)C2)n1C ZINC000262012266 1433921641 /nfs/dbraw/zinc/92/16/41/1433921641.db2.gz WWMIISBASLXZKC-SZVBFZGTSA-N 1 0 396.539 3.261 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N(C)Cc1cc(Cl)cn1C ZINC000262020457 1433922617 /nfs/dbraw/zinc/92/26/17/1433922617.db2.gz YQKBLDVCBQNBFT-UHFFFAOYSA-N 1 0 399.930 3.083 20 30 GGEDRO [NH2+]=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)Nc1ccc2c(c1)OCCCO2 ZINC000262019805 1433923010 /nfs/dbraw/zinc/92/30/10/1433923010.db2.gz LVLVXBCTHOPKAV-OAHLLOKOSA-N 1 0 379.819 3.101 20 30 GGEDRO C[NH+]=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CC[C@]2(CCOC2)C1 ZINC000262026618 1433923511 /nfs/dbraw/zinc/92/35/11/1433923511.db2.gz ZXHBLVMOBWSXLK-NRFANRHFSA-N 1 0 384.455 3.201 20 30 GGEDRO c1ccc(NC(=[NH+]C[C@]2(N3CCOCC3)CCSC2)N2CCCCC2)cc1 ZINC000262026069 1433923515 /nfs/dbraw/zinc/92/35/15/1433923515.db2.gz ZLYRREYZRWSFJP-OAQYLSRUSA-N 1 0 388.581 3.148 20 30 GGEDRO C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NCC1CCSCC1 ZINC000262044177 1433924140 /nfs/dbraw/zinc/92/41/40/1433924140.db2.gz YQVAXWNMJMJOSH-HNNXBMFYSA-N 1 0 376.353 3.335 20 30 GGEDRO [NH2+]=C(NC[C@H]1COC2(CCCCCC2)O1)Nc1ccc2c(c1)OCCCO2 ZINC000262124887 1433927934 /nfs/dbraw/zinc/92/79/34/1433927934.db2.gz KCSPRTGNEURHRW-INIZCTEOSA-N 1 0 375.469 3.040 20 30 GGEDRO C[C@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1cccc2ccccc21 ZINC000262156769 1433928952 /nfs/dbraw/zinc/92/89/52/1433928952.db2.gz BKCJVPCEXKIIMZ-JKSUJKDBSA-N 1 0 385.533 3.033 20 30 GGEDRO [NH2+]=C(NC[C@@H]1CSCCN1Cc1ccccc1)Nc1cc(F)ccc1F ZINC000262243525 1433932064 /nfs/dbraw/zinc/93/20/64/1433932064.db2.gz BZZHYEQKMNVRGY-MRXNPFEDSA-N 1 0 376.476 3.309 20 30 GGEDRO [NH2+]=C(NCc1coc(-c2cccs2)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262279365 1433933410 /nfs/dbraw/zinc/93/34/10/1433933410.db2.gz LLLLJCABNXAOHH-UHFFFAOYSA-N 1 0 385.468 3.179 20 30 GGEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)N2CCOCC2)s1 ZINC000262276852 1433933422 /nfs/dbraw/zinc/93/34/22/1433933422.db2.gz JTYVMWGWRWMYCJ-MRXNPFEDSA-N 1 0 380.464 3.135 20 30 GGEDRO CC1(C)CCC(C[NH+]=C(NC[C@H]2CCS(=O)(=O)C2)NC2CCCC2)CC1 ZINC000262326534 1433935235 /nfs/dbraw/zinc/93/52/35/1433935235.db2.gz ABGOZDBMDITGTD-QGZVFWFLSA-N 1 0 383.602 3.115 20 30 GGEDRO CN(Cc1ccccc1Cl)C(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262330498 1433935251 /nfs/dbraw/zinc/93/52/51/1433935251.db2.gz AUPNERTUXIOKLG-OAHLLOKOSA-N 1 0 397.972 3.095 20 30 GGEDRO Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c(-n2cc(Cl)cn2)n1 ZINC000262337793 1433935597 /nfs/dbraw/zinc/93/55/97/1433935597.db2.gz CCDZNCDWLMMFJB-KRWDZBQOSA-N 1 0 396.882 3.157 20 30 GGEDRO C[C@H](NC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1ccc(Cl)cc1 ZINC000262346435 1433935949 /nfs/dbraw/zinc/93/59/49/1433935949.db2.gz DKWGWXUPKWEEJA-LSDHHAIUSA-N 1 0 397.972 3.314 20 30 GGEDRO CCC1(CC)CN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)c2ccccc21 ZINC000262375171 1433936934 /nfs/dbraw/zinc/93/69/34/1433936934.db2.gz JHXCGWDJGCCTSE-MRXNPFEDSA-N 1 0 389.565 3.107 20 30 GGEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H](C)c1cccc2ccccc21 ZINC000262371924 1433936944 /nfs/dbraw/zinc/93/69/44/1433936944.db2.gz ISNYRGKDYLNAOU-IRXDYDNUSA-N 1 0 387.549 3.279 20 30 GGEDRO Cc1ccsc1CNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CCCC[C@@H]1C ZINC000262374400 1433936945 /nfs/dbraw/zinc/93/69/45/1433936945.db2.gz JDSLNSVWBDQTBD-USXIJHARSA-N 1 0 397.610 3.105 20 30 GGEDRO Cc1ccsc1CNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+][C@@H]1CCCC[C@H]1C ZINC000262374394 1433937065 /nfs/dbraw/zinc/93/70/65/1433937065.db2.gz JDSLNSVWBDQTBD-DJIMGWMZSA-N 1 0 397.610 3.105 20 30 GGEDRO C[NH+]=C(N[C@H](C)c1cccc(-n2cccn2)c1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262381706 1433937244 /nfs/dbraw/zinc/93/72/44/1433937244.db2.gz KMQVWOHQZMXPEE-XWPNQZOQSA-N 1 0 381.524 3.302 20 30 GGEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCCC2(C1)CCCCCC2 ZINC000262387234 1433937354 /nfs/dbraw/zinc/93/73/54/1433937354.db2.gz LOYJDXQULFJUGU-IBGZPJMESA-N 1 0 397.629 3.459 20 30 GGEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCCC2(C1)CCCCCC2 ZINC000262391577 1433937539 /nfs/dbraw/zinc/93/75/39/1433937539.db2.gz MGTTVKLXFDEJMI-SFHVURJKSA-N 1 0 383.602 3.212 20 30 GGEDRO [NH2+]=C(NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)NC1CCCCCC1 ZINC000262399460 1433937787 /nfs/dbraw/zinc/93/77/87/1433937787.db2.gz UJTRASITGLMNQD-UHFFFAOYSA-N 1 0 397.523 3.183 20 30 GGEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H](C)c1ccc2ccccc2c1 ZINC000262397051 1433937793 /nfs/dbraw/zinc/93/77/93/1433937793.db2.gz NCVYNRFTMVMBFS-SJORKVTESA-N 1 0 387.549 3.279 20 30 GGEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000262411640 1433938147 /nfs/dbraw/zinc/93/81/47/1433938147.db2.gz PJYTZCLSFYJGPA-DLBZAZTESA-N 1 0 391.581 3.005 20 30 GGEDRO C[C@H]1CC([NH+]=C(NCc2cccs2)NC[C@@H]2CCS(=O)(=O)C2)C[C@H](C)C1 ZINC000262414055 1433938175 /nfs/dbraw/zinc/93/81/75/1433938175.db2.gz PUWYLHZKQOUHHQ-OAGGEKHMSA-N 1 0 397.610 3.043 20 30 GGEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000262411642 1433938225 /nfs/dbraw/zinc/93/82/25/1433938225.db2.gz PJYTZCLSFYJGPA-IRXDYDNUSA-N 1 0 391.581 3.005 20 30 GGEDRO C[C@H]1CC([NH+]=C(NCc2cccs2)NC[C@H]2CCS(=O)(=O)C2)C[C@H](C)C1 ZINC000262414054 1433938246 /nfs/dbraw/zinc/93/82/46/1433938246.db2.gz PUWYLHZKQOUHHQ-BZUAXINKSA-N 1 0 397.610 3.043 20 30 GGEDRO Cc1ccc(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+][C@@H]2CCCC[C@@H]2C)s1 ZINC000262417022 1433938379 /nfs/dbraw/zinc/93/83/79/1433938379.db2.gz QHYKBESNVYKCFJ-YXJHDRRASA-N 1 0 397.610 3.105 20 30 GGEDRO Cc1csc([C@@H](C)CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000262417114 1433938412 /nfs/dbraw/zinc/93/84/12/1433938412.db2.gz ZGFJLOBQUGBNMS-ZDUSSCGKSA-N 1 0 377.945 3.345 20 30 GGEDRO C[NH+]=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)N1CC[C@H](COC)C1 ZINC000262431401 1433938817 /nfs/dbraw/zinc/93/88/17/1433938817.db2.gz FDDVWIPDAVJQAR-KRWDZBQOSA-N 1 0 387.524 3.161 20 30 GGEDRO COc1ccc(C2(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)CCOCC2)cc1 ZINC000262434413 1433938836 /nfs/dbraw/zinc/93/88/36/1433938836.db2.gz CATFIHJDDUZTLH-FQEVSTJZSA-N 1 0 395.503 3.172 20 30 GGEDRO C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N1CC[C@@H](c2ccccc2)C1 ZINC000262433996 1433938865 /nfs/dbraw/zinc/93/88/65/1433938865.db2.gz FSXRIXKVCVUWEP-CQSZACIVSA-N 1 0 390.409 3.107 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)N(CCC[NH3+])Cc2ccccc2)cc1C(F)(F)F ZINC000262442973 1433939280 /nfs/dbraw/zinc/93/92/80/1433939280.db2.gz ICWHFJAZLWVLPP-UHFFFAOYSA-N 1 0 397.422 3.117 20 30 GGEDRO O=S1(=O)CC[C@H](CNC(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)=[NH+]C2CCCCC2)C1 ZINC000262445449 1433939290 /nfs/dbraw/zinc/93/92/90/1433939290.db2.gz VFHIEYCVKVGIHK-DOADOZAASA-N 1 0 395.613 3.258 20 30 GGEDRO C[C@@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1)c1cccc(Cl)c1 ZINC000262447183 1433939347 /nfs/dbraw/zinc/93/93/47/1433939347.db2.gz VLNKHVOUGOSITB-CABCVRRESA-N 1 0 397.972 3.314 20 30 GGEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCc2cc(C(C)(C)C)ccc21 ZINC000262441796 1433939376 /nfs/dbraw/zinc/93/93/76/1433939376.db2.gz URKZANHBDWJSHS-INIZCTEOSA-N 1 0 391.581 3.135 20 30 GGEDRO CC[NH+]=C(N[C@H](C)c1cccc(-n2cccn2)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262447722 1433939550 /nfs/dbraw/zinc/93/95/50/1433939550.db2.gz VMFUDPWOQZHYCF-NMLACTOBSA-N 1 0 381.524 3.302 20 30 GGEDRO C[NH+]=C(NC[C@](C)(O)c1ccco1)N(C)Cc1ccc(Br)s1 ZINC000262452143 1433939587 /nfs/dbraw/zinc/93/95/87/1433939587.db2.gz WCXVMURCJKUSDU-HNNXBMFYSA-N 1 0 386.315 3.019 20 30 GGEDRO COc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1Br ZINC000262452198 1433939635 /nfs/dbraw/zinc/93/96/35/1433939635.db2.gz DYJRMRJTDUIMNE-HNNXBMFYSA-N 1 0 390.281 3.386 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N(C)Cc1ccc(Br)s1 ZINC000262453936 1433939691 /nfs/dbraw/zinc/93/96/91/1433939691.db2.gz WLUNBTBDEHTXQP-IACUBPJLSA-N 1 0 386.359 3.331 20 30 GGEDRO C[NH+]=C(NCc1ccnc(N2CCCC2)c1)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000262466009 1433940062 /nfs/dbraw/zinc/94/00/62/1433940062.db2.gz NSUOFIYVGGQISP-FQEVSTJZSA-N 1 0 393.535 3.255 20 30 GGEDRO CC[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262482151 1433940664 /nfs/dbraw/zinc/94/06/64/1433940664.db2.gz RTGXTAADAFVTCL-INIZCTEOSA-N 1 0 382.487 3.038 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CCC1)N1CC[C@H](COC)C1 ZINC000262481464 1433940695 /nfs/dbraw/zinc/94/06/95/1433940695.db2.gz ROHCSKKIXGCGBX-HNNXBMFYSA-N 1 0 394.357 3.415 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N1CC[C@@H](c2ccccc2)C1 ZINC000262487177 1433941109 /nfs/dbraw/zinc/94/11/09/1433941109.db2.gz SVYYAZCCZLMLOQ-OAQYLSRUSA-N 1 0 388.519 3.449 20 30 GGEDRO Cc1nc(CN2CCC(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)CC2)oc1C ZINC000262515234 1433941879 /nfs/dbraw/zinc/94/18/79/1433941879.db2.gz GCFIEDKXEOQOMD-UHFFFAOYSA-N 1 0 381.524 3.419 20 30 GGEDRO C[NH+]=C(NCc1ccc(Cl)cc1)NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000262510986 1433941966 /nfs/dbraw/zinc/94/19/66/1433941966.db2.gz BGTNHTFXTMPOHH-UHFFFAOYSA-N 1 0 382.899 3.403 20 30 GGEDRO C[NH+]=C(NCc1csc(Br)c1)NC[C@](C)(O)c1ccsc1 ZINC000262522614 1433942348 /nfs/dbraw/zinc/94/23/48/1433942348.db2.gz OAUDIGUKJKUSLE-AWEZNQCLSA-N 1 0 388.356 3.145 20 30 GGEDRO Cc1nnc2n1C[C@H](CNC(=[NH2+])Nc1cccc(Oc3ccccc3)c1)CC2 ZINC000262535963 1433942696 /nfs/dbraw/zinc/94/26/96/1433942696.db2.gz PPIMDIQDQVFUBO-INIZCTEOSA-N 1 0 376.464 3.368 20 30 GGEDRO CCOc1cc2c(cc1CNC(=[NH2+])N[C@H]1CCOc3ccccc31)O[C@@H](C)C2 ZINC000262535427 1433942736 /nfs/dbraw/zinc/94/27/36/1433942736.db2.gz QFOQOWJGQFYNDV-KSSFIOAISA-N 1 0 381.476 3.337 20 30 GGEDRO [NH2+]=C(NCCc1nc(-c2ccc(Cl)cc2)no1)N[C@H]1CCOc2ccccc21 ZINC000262549584 1433943223 /nfs/dbraw/zinc/94/32/23/1433943223.db2.gz XHCYLZVYXBXUCL-INIZCTEOSA-N 1 0 397.866 3.361 20 30 GGEDRO CN(C)c1cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c2ccccc2n1 ZINC000262549506 1433943237 /nfs/dbraw/zinc/94/32/37/1433943237.db2.gz XBRHLKYVMRNSJW-LJQANCHMSA-N 1 0 375.476 3.229 20 30 GGEDRO [NH2+]=C(NCCOc1ccc(Br)cc1)N[C@@H]1CCOc2ccccc21 ZINC000262560429 1433943703 /nfs/dbraw/zinc/94/37/03/1433943703.db2.gz WECCIXRLWQZMLP-MRXNPFEDSA-N 1 0 390.281 3.256 20 30 GGEDRO C[NH+]=C(NCc1csc2ccccc12)N1CCN(C(=O)c2ccco2)CC1 ZINC000262567105 1433943791 /nfs/dbraw/zinc/94/37/91/1433943791.db2.gz LZJIINLHCZZFSJ-UHFFFAOYSA-N 1 0 382.489 3.028 20 30 GGEDRO Cc1ccccc1C1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCOCC1 ZINC000262563617 1433943830 /nfs/dbraw/zinc/94/38/30/1433943830.db2.gz XENMIBWHPIEUAW-HXUWFJFHSA-N 1 0 379.504 3.471 20 30 GGEDRO C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000262566000 1433943972 /nfs/dbraw/zinc/94/39/72/1433943972.db2.gz LJELFGXMAVIFME-UHFFFAOYSA-N 1 0 398.438 3.007 20 30 GGEDRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262572847 1433944277 /nfs/dbraw/zinc/94/42/77/1433944277.db2.gz ZKRXIFHIAQOZTG-OAQYLSRUSA-N 1 0 389.503 3.476 20 30 GGEDRO C[NH+]=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)N1CCC[C@H](C)C1 ZINC000262577418 1433944457 /nfs/dbraw/zinc/94/44/57/1433944457.db2.gz OZALFYRCENPKFI-JTQLQIEISA-N 1 0 388.825 3.209 20 30 GGEDRO O=S1(=O)CC[C@@H](CNC(NCc2ccc(Cl)cc2)=[NH+]C2CCCCC2)C1 ZINC000262578052 1433944542 /nfs/dbraw/zinc/94/45/42/1433944542.db2.gz PEIRJYPKHWOLKV-INIZCTEOSA-N 1 0 397.972 3.143 20 30 GGEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N1CCN(c2ccccc2)CC1 ZINC000262581307 1433944893 /nfs/dbraw/zinc/94/48/93/1433944893.db2.gz QPVQEPXFASSTFG-UHFFFAOYSA-N 1 0 383.443 3.060 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N(C)Cc1cccc(F)c1 ZINC000262591548 1433945088 /nfs/dbraw/zinc/94/50/88/1433945088.db2.gz UZMGZFQPZROZJI-UHFFFAOYSA-N 1 0 380.471 3.231 20 30 GGEDRO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)N1CCC[C@H](C)C1 ZINC000262594788 1433945390 /nfs/dbraw/zinc/94/53/90/1433945390.db2.gz WIRPHOWIQIIDSC-LBPRGKRZSA-N 1 0 381.318 3.003 20 30 GGEDRO [NH2+]=C(NC[C@@H]1CCN(c2ccccc2F)C1)Nc1ccc2c(c1)OCCCO2 ZINC000262609860 1433946139 /nfs/dbraw/zinc/94/61/39/1433946139.db2.gz ANQRVKHHYYJOST-HNNXBMFYSA-N 1 0 384.455 3.240 20 30 GGEDRO [NH2+]=C(NC[C@H]1CCN(c2ccccc2F)C1)Nc1ccc2c(c1)OCCCO2 ZINC000262609862 1433946193 /nfs/dbraw/zinc/94/61/93/1433946193.db2.gz ANQRVKHHYYJOST-OAHLLOKOSA-N 1 0 384.455 3.240 20 30 GGEDRO C[C@@](O)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 ZINC000262665127 1433948871 /nfs/dbraw/zinc/94/88/71/1433948871.db2.gz NAKZFBYTSJHIFF-LJQANCHMSA-N 1 0 375.856 3.136 20 30 GGEDRO Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)CCC[N@@H+]1C ZINC000262675190 1433949161 /nfs/dbraw/zinc/94/91/61/1433949161.db2.gz SWHAUDVGMFFCRU-LAUBAEHRSA-N 1 0 380.540 3.109 20 30 GGEDRO CO[C@H](C)c1nc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)cs1 ZINC000262692356 1433950394 /nfs/dbraw/zinc/95/03/94/1433950394.db2.gz CNBDRQSLPTVMKL-CYBMUJFWSA-N 1 0 393.944 3.141 20 30 GGEDRO CC[NH+]=C(NCc1cc(Br)cs1)NCc1c(C)nn(C)c1C ZINC000262694632 1433950567 /nfs/dbraw/zinc/95/05/67/1433950567.db2.gz DFAGZTHBKKUQBB-UHFFFAOYSA-N 1 0 384.347 3.116 20 30 GGEDRO CCCc1nc(C)c(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000262717340 1433951871 /nfs/dbraw/zinc/95/18/71/1433951871.db2.gz SUWAMRFDGRUILL-UHFFFAOYSA-N 1 0 375.904 3.226 20 30 GGEDRO C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N[C@H]1CCOc2ccccc21 ZINC000262763283 1433954757 /nfs/dbraw/zinc/95/47/57/1433954757.db2.gz GQCYFSFZEHWHEE-LBPRGKRZSA-N 1 0 384.427 3.393 20 30 GGEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@@H](C)c1cc2ccccc2o1 ZINC000262786419 1433956047 /nfs/dbraw/zinc/95/60/47/1433956047.db2.gz MTBUJKZAYARFRY-HOCLYGCPSA-N 1 0 380.496 3.211 20 30 GGEDRO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262790259 1433956201 /nfs/dbraw/zinc/95/62/01/1433956201.db2.gz NYTGJPKBUIFYDD-CQSZACIVSA-N 1 0 395.338 3.163 20 30 GGEDRO C[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262793335 1433956610 /nfs/dbraw/zinc/95/66/10/1433956610.db2.gz OYAAPRPDFWHOFL-IAOVAPTHSA-N 1 0 378.586 3.352 20 30 GGEDRO CC[NH+]=C(NCC1CCN(Cc2nc(C)c(C)o2)CC1)N1C[C@H](C)C[C@H](C)C1 ZINC000262795302 1433956899 /nfs/dbraw/zinc/95/68/99/1433956899.db2.gz PDRRYUJJHVUVCJ-CALCHBBNSA-N 1 0 389.588 3.447 20 30 GGEDRO [NH2+]=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)Nc1ccc2c(c1)OCCCO2 ZINC000262801596 1433957294 /nfs/dbraw/zinc/95/72/94/1433957294.db2.gz MNDPJUNFTXEGER-SJCJKPOMSA-N 1 0 387.402 3.058 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262808646 1433957634 /nfs/dbraw/zinc/95/76/34/1433957634.db2.gz UHYZVNKCHLCUIT-ZWKOTPCHSA-N 1 0 394.519 3.005 20 30 GGEDRO CC[NH+]=C(NCc1csc(Br)c1)NCc1c(C)nn(C)c1C ZINC000262844925 1433960764 /nfs/dbraw/zinc/96/07/64/1433960764.db2.gz VJLCQCRAIZXZEN-UHFFFAOYSA-N 1 0 384.347 3.116 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)NCc1ccc(F)c(F)c1 ZINC000262868642 1433962445 /nfs/dbraw/zinc/96/24/45/1433962445.db2.gz UTVXWHGYMXNYDI-UHFFFAOYSA-N 1 0 384.434 3.028 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262995580 1433974423 /nfs/dbraw/zinc/97/44/23/1433974423.db2.gz OYJBGZLBXOHMHY-UHFFFAOYSA-N 1 0 392.381 3.325 20 30 GGEDRO C[NH+]=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)NC1CCCC1 ZINC000263113342 1433986899 /nfs/dbraw/zinc/98/68/99/1433986899.db2.gz FFKZSRDJSDRFIL-CQSZACIVSA-N 1 0 379.346 3.383 20 30 GGEDRO COc1cc(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)ccc1Cl ZINC000263205504 1433994821 /nfs/dbraw/zinc/99/48/21/1433994821.db2.gz YCQJKFPWCALFBK-UHFFFAOYSA-N 1 0 375.856 3.479 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)NC1CCCC1 ZINC000263234013 1433997264 /nfs/dbraw/zinc/99/72/64/1433997264.db2.gz IYLMPQVRHHIUNI-AWEZNQCLSA-N 1 0 379.346 3.383 20 30 GGEDRO C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N[C@@H](C)c1ccccc1 ZINC000263234940 1433997408 /nfs/dbraw/zinc/99/74/08/1433997408.db2.gz JERKKWWQRMIEPK-LBPRGKRZSA-N 1 0 376.386 3.174 20 30 GGEDRO [NH2+]=C(NC[C@@H]1CSCCN1Cc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000263245934 1433998197 /nfs/dbraw/zinc/99/81/97/1433998197.db2.gz HQGFSZSSDXVABC-QUCCMNQESA-N 1 0 396.560 3.032 20 30 GGEDRO [NH2+]=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)N[C@@H]1CCOc2ccccc21 ZINC000263246939 1433998223 /nfs/dbraw/zinc/99/82/23/1433998223.db2.gz HYVZJMZRMBOZFG-UNWVZKJWSA-N 1 0 397.494 3.328 20 30 GGEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NCc1cccc2c1OCCCO2 ZINC000263255712 1433998977 /nfs/dbraw/zinc/99/89/77/1433998977.db2.gz KVPFXMKCTLJIDU-UHFFFAOYSA-N 1 0 379.382 3.471 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000263698494 1434022628 /nfs/dbraw/zinc/02/26/28/1434022628.db2.gz IEEWLTDCYUDOLT-MSOLQXFVSA-N 1 0 391.581 3.280 20 30 GGEDRO N#Cc1cnc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000263770926 1434031534 /nfs/dbraw/zinc/03/15/34/1434031534.db2.gz JXYCAMPVLUGVJU-QGZVFWFLSA-N 1 0 396.926 3.040 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000263950193 1434052457 /nfs/dbraw/zinc/05/24/57/1434052457.db2.gz DKFBXRJHQAEMES-LJQANCHMSA-N 1 0 384.524 3.094 20 30 GGEDRO C=CCN(CC=C)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000263967362 1434054935 /nfs/dbraw/zinc/05/49/35/1434054935.db2.gz KSHCQGRVZDJUPC-UHFFFAOYSA-N 1 0 387.524 3.060 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000263970793 1434055364 /nfs/dbraw/zinc/05/53/64/1434055364.db2.gz MFFIVWMSULWQFE-UHFFFAOYSA-N 1 0 392.503 3.040 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000264034405 1434064446 /nfs/dbraw/zinc/06/44/46/1434064446.db2.gz ADHCSMRVLVENLZ-MRXNPFEDSA-N 1 0 378.476 3.470 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCN1Cc1ccc(OCC#N)cc1 ZINC000264063741 1434068087 /nfs/dbraw/zinc/06/80/87/1434068087.db2.gz AHCFOKFBQRSXPJ-LJQANCHMSA-N 1 0 390.487 3.198 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCCCCOCCc2ccccc2)cc1OC ZINC000264076517 1434069673 /nfs/dbraw/zinc/06/96/73/1434069673.db2.gz FZKAKKACZYXFRZ-UHFFFAOYSA-N 1 0 385.508 3.148 20 30 GGEDRO Cc1nc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)ccc1C#N ZINC000264079044 1434069846 /nfs/dbraw/zinc/06/98/46/1434069846.db2.gz VBKWIMQXKXVODB-UHFFFAOYSA-N 1 0 381.455 3.184 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)COc3ccc(C#N)cc3)cc2F)CC1 ZINC000264088156 1434070657 /nfs/dbraw/zinc/07/06/57/1434070657.db2.gz VVVRBLWOMQEYFC-UHFFFAOYSA-N 1 0 396.466 3.245 20 30 GGEDRO [NH2+]=C(NC[C@@H]1CCN(CC(F)(F)F)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000264090064 1434070880 /nfs/dbraw/zinc/07/08/80/1434070880.db2.gz KTMJFCUOBZNVPZ-JTQLQIEISA-N 1 0 384.324 3.196 20 30 GGEDRO CCc1cccc(CC)c1NC(=[NH2+])NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000264094651 1434071400 /nfs/dbraw/zinc/07/14/00/1434071400.db2.gz LPDQSCXFTAMGHU-SFHVURJKSA-N 1 0 397.445 3.112 20 30 GGEDRO COc1ccc(OC)c([C@@H](O)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000264101438 1434071828 /nfs/dbraw/zinc/07/18/28/1434071828.db2.gz OCZAZXJJIZTBSF-HNNXBMFYSA-N 1 0 399.369 3.063 20 30 GGEDRO C=CCCO[C@@H](C)C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000264112844 1434072717 /nfs/dbraw/zinc/07/27/17/1434072717.db2.gz MBBTYXUXAAJGQH-SFHVURJKSA-N 1 0 389.540 3.111 20 30 GGEDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000264131747 1434074390 /nfs/dbraw/zinc/07/43/90/1434074390.db2.gz YBEHGUGIJPOABF-UHFFFAOYSA-N 1 0 394.397 3.349 20 30 GGEDRO [NH2+]=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc2c(c1)CCC2 ZINC000264133542 1434074512 /nfs/dbraw/zinc/07/45/12/1434074512.db2.gz YXFDLOBVHBWTBH-UHFFFAOYSA-N 1 0 382.483 3.202 20 30 GGEDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000264136420 1434074909 /nfs/dbraw/zinc/07/49/09/1434074909.db2.gz GVVMKHQOVBSEOA-LJQANCHMSA-N 1 0 386.540 3.340 20 30 GGEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264263710 1434089606 /nfs/dbraw/zinc/08/96/06/1434089606.db2.gz SEMYAPGXDYXVAB-UHFFFAOYSA-N 1 0 386.496 3.112 20 30 GGEDRO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C#N)cc1 ZINC000264314332 1434096293 /nfs/dbraw/zinc/09/62/93/1434096293.db2.gz MYDLTRREJICKCH-KRWDZBQOSA-N 1 0 392.503 3.075 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000264356869 1434101481 /nfs/dbraw/zinc/10/14/81/1434101481.db2.gz FJNJFCRBIAGCTG-MRXNPFEDSA-N 1 0 384.524 3.436 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000264360678 1434102177 /nfs/dbraw/zinc/10/21/77/1434102177.db2.gz OOGVFPSRKJUCHQ-HDICACEKSA-N 1 0 386.540 3.068 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000264367653 1434103311 /nfs/dbraw/zinc/10/33/11/1434103311.db2.gz IDTCKENJAHYZRR-QGZVFWFLSA-N 1 0 382.512 3.010 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000264374013 1434104190 /nfs/dbraw/zinc/10/41/90/1434104190.db2.gz RWQCUWYWCVKNQA-UHFFFAOYSA-N 1 0 392.456 3.164 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cccc(OC)c2)C[C@H]2CCCO2)CC1 ZINC000264401328 1434107802 /nfs/dbraw/zinc/10/78/02/1434107802.db2.gz ZSXXGDNAMKJJIZ-OAQYLSRUSA-N 1 0 387.524 3.036 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CC1 ZINC000264413002 1434109204 /nfs/dbraw/zinc/10/92/04/1434109204.db2.gz IDJRIZCEPNYJFP-SFHVURJKSA-N 1 0 399.293 3.378 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000264428908 1434111512 /nfs/dbraw/zinc/11/15/12/1434111512.db2.gz TWCUSNVNQJCDSU-CYBMUJFWSA-N 1 0 377.439 3.442 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc(Oc3ccccn3)cc2)CC1 ZINC000264487124 1434119133 /nfs/dbraw/zinc/11/91/33/1434119133.db2.gz NENAGECOPFLULT-UHFFFAOYSA-N 1 0 381.476 3.409 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)c1 ZINC000264546880 1434126396 /nfs/dbraw/zinc/12/63/96/1434126396.db2.gz GNDCDBIAOFOJRB-NRFANRHFSA-N 1 0 388.471 3.014 20 30 GGEDRO N#Cc1c(NC(=O)CCN2CC[C@H]([NH+]3CCCCC3)C2)sc2c1CCCC2 ZINC000264561974 1434128268 /nfs/dbraw/zinc/12/82/68/1434128268.db2.gz FUDGCXNUQKDEOE-INIZCTEOSA-N 1 0 386.565 3.387 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cc1ccc(OCC#N)cc1 ZINC000264625156 1434136385 /nfs/dbraw/zinc/13/63/85/1434136385.db2.gz IGGHEFHEULWYGP-IFMALSPDSA-N 1 0 375.472 3.274 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000264733268 1434149795 /nfs/dbraw/zinc/14/97/95/1434149795.db2.gz ZZQZVTRKRFCKMR-ZVDOUQERSA-N 1 0 399.535 3.208 20 30 GGEDRO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000264767708 1434153264 /nfs/dbraw/zinc/15/32/64/1434153264.db2.gz ZYYOWCONQUMNLI-UHFFFAOYSA-N 1 0 377.488 3.103 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000264799572 1434155988 /nfs/dbraw/zinc/15/59/88/1434155988.db2.gz WBIQLFUCOVHIBH-UHFFFAOYSA-N 1 0 398.551 3.486 20 30 GGEDRO CCc1nc([C@H](C)NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000264828668 1434158043 /nfs/dbraw/zinc/15/80/43/1434158043.db2.gz ITJJYVOPBWNHOR-HNNXBMFYSA-N 1 0 383.521 3.166 20 30 GGEDRO N#CCCn1cc(C[NH2+]CC2(N3CCCC3)CCOCC2)c(-c2ccccc2)n1 ZINC000264930959 1434165320 /nfs/dbraw/zinc/16/53/20/1434165320.db2.gz AQNOVMWDTGGJLC-UHFFFAOYSA-N 1 0 393.535 3.198 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000264965250 1434168681 /nfs/dbraw/zinc/16/86/81/1434168681.db2.gz FQYPBTGRUNITLL-UHFFFAOYSA-N 1 0 382.508 3.203 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc(OCC#N)c1 ZINC000264984342 1434171283 /nfs/dbraw/zinc/17/12/83/1434171283.db2.gz JGLZSDOZROOQMR-UHFFFAOYSA-N 1 0 379.464 3.293 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[NH+](C3CCC3)CC2)c1C#N ZINC000265130622 1434188482 /nfs/dbraw/zinc/18/84/82/1434188482.db2.gz MTUOUHNUEWHJLX-UHFFFAOYSA-N 1 0 391.519 3.074 20 30 GGEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)cc1OC ZINC000265150024 1434190574 /nfs/dbraw/zinc/19/05/74/1434190574.db2.gz BEABIFRPIDSHHW-HKUYNNGSSA-N 1 0 390.524 3.127 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000265250190 1434207131 /nfs/dbraw/zinc/20/71/31/1434207131.db2.gz QQCFKQJSXNPOFL-KNQAVFIVSA-N 1 0 398.551 3.393 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000265250194 1434207284 /nfs/dbraw/zinc/20/72/84/1434207284.db2.gz QQCFKQJSXNPOFL-UGKGYDQZSA-N 1 0 398.551 3.393 20 30 GGEDRO O=C(c1ccc(F)cc1)C(C(=S)NC(C1CC1)C1CC1)[n+]1cccc(CO)c1 ZINC000265401412 1434229457 /nfs/dbraw/zinc/22/94/57/1434229457.db2.gz YDSCDKDALJDRLF-UHFFFAOYSA-O 1 0 399.511 3.323 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ncc[nH]3)CC1)CCCC2 ZINC000265479236 1434238016 /nfs/dbraw/zinc/23/80/16/1434238016.db2.gz KMUUUEXWMVHTBF-UHFFFAOYSA-N 1 0 383.521 3.430 20 30 GGEDRO N#CCc1cccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000265768721 1434263833 /nfs/dbraw/zinc/26/38/33/1434263833.db2.gz NVSNTNFZBKGZOH-UHFFFAOYSA-N 1 0 381.451 3.165 20 30 GGEDRO CC(C)n1c(Sc2c(C#N)nnc3ccccc32)nnc1C1CC[NH2+]CC1 ZINC000265848172 1434272323 /nfs/dbraw/zinc/27/23/23/1434272323.db2.gz PGSJSYUEFMGJDO-UHFFFAOYSA-N 1 0 379.493 3.292 20 30 GGEDRO CC(C)n1c(Sc2c(C#N)nnc3ccccc32)nnc1[C@H]1CCC[NH2+]C1 ZINC000265860235 1434273913 /nfs/dbraw/zinc/27/39/13/1434273913.db2.gz RTOHBPRVOZIKTA-ZDUSSCGKSA-N 1 0 379.493 3.292 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000265869075 1434275420 /nfs/dbraw/zinc/27/54/20/1434275420.db2.gz VCRYRCLTGVZCDT-UHFFFAOYSA-N 1 0 395.459 3.002 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(OCCCOC)CC1 ZINC000265998609 1434294886 /nfs/dbraw/zinc/29/48/86/1434294886.db2.gz MYYXFXXGFNNEBP-KRWDZBQOSA-N 1 0 380.554 3.169 20 30 GGEDRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000266435669 1434336329 /nfs/dbraw/zinc/33/63/29/1434336329.db2.gz LOPBHXFJRNCTQV-UHFFFAOYSA-N 1 0 398.438 3.068 20 30 GGEDRO COc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc(OC)c1OC ZINC000266503730 1434344519 /nfs/dbraw/zinc/34/45/19/1434344519.db2.gz XKQHABFBESJTIF-AWEZNQCLSA-N 1 0 383.448 3.263 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cccc(OCC#N)c3)CC2)c1 ZINC000266805488 1434377293 /nfs/dbraw/zinc/37/72/93/1434377293.db2.gz GCIDBFONPGFOPP-UHFFFAOYSA-N 1 0 378.476 3.048 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000266823455 1434379097 /nfs/dbraw/zinc/37/90/97/1434379097.db2.gz XTYWJTNCUDCAGF-OAHLLOKOSA-N 1 0 399.495 3.146 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCc4c3cccc4O)CC2)cc1 ZINC000266834572 1434380278 /nfs/dbraw/zinc/38/02/78/1434380278.db2.gz UAZIYLKSVQMUTQ-NRFANRHFSA-N 1 0 390.487 3.169 20 30 GGEDRO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000266952385 1434392198 /nfs/dbraw/zinc/39/21/98/1434392198.db2.gz HJHJUOGBWJERGX-DENIHFKCSA-N 1 0 395.503 3.256 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc(OC)cc2OC)c2nccs2)CC1 ZINC000266955949 1434392558 /nfs/dbraw/zinc/39/25/58/1434392558.db2.gz KCPDNKIMBUZIDQ-UHFFFAOYSA-N 1 0 399.516 3.039 20 30 GGEDRO CN(C)C(=O)c1cccc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c1 ZINC000266965976 1434393807 /nfs/dbraw/zinc/39/38/07/1434393807.db2.gz BFBWOKBJNRJGQY-UHFFFAOYSA-N 1 0 378.398 3.012 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3ncc[nH]3)C1)CCCC2 ZINC000266970347 1434394367 /nfs/dbraw/zinc/39/43/67/1434394367.db2.gz ZWBBKNHHWVYGOX-AWEZNQCLSA-N 1 0 383.521 3.430 20 30 GGEDRO COc1ccc(C[NH2+]C2CCN(CCOC(C)C)CC2)cc1OCCCC#N ZINC000267001729 1434397840 /nfs/dbraw/zinc/39/78/40/1434397840.db2.gz DAEXIQVDFFPFGA-UHFFFAOYSA-N 1 0 389.540 3.357 20 30 GGEDRO C[NH+](C)Cc1ccc(C(N)=NOCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000267012010 1434398712 /nfs/dbraw/zinc/39/87/12/1434398712.db2.gz MXSAFLXTXGCPIY-UHFFFAOYSA-N 1 0 394.397 3.043 20 30 GGEDRO CC(C)Nc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000267054159 1434403432 /nfs/dbraw/zinc/40/34/32/1434403432.db2.gz KLALOSRWNRWWOK-UHFFFAOYSA-N 1 0 377.492 3.122 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000267050480 1434403453 /nfs/dbraw/zinc/40/34/53/1434403453.db2.gz JTGSNJIJFIUYJL-UHFFFAOYSA-N 1 0 377.448 3.173 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000267097669 1434407426 /nfs/dbraw/zinc/40/74/26/1434407426.db2.gz VYDNTFGYFKTKGQ-UHFFFAOYSA-N 1 0 384.524 3.145 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1)CC(F)(F)F ZINC000267103031 1434407657 /nfs/dbraw/zinc/40/76/57/1434407657.db2.gz OXZLXZJJQDTJAB-KRWDZBQOSA-N 1 0 396.457 3.139 20 30 GGEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2=O)c1 ZINC000267114427 1434408280 /nfs/dbraw/zinc/40/82/80/1434408280.db2.gz RWENDACGJICDHT-QVKFZJNVSA-N 1 0 395.459 3.062 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)C(C)C ZINC000267333660 1434423527 /nfs/dbraw/zinc/42/35/27/1434423527.db2.gz MHTNWUINLYDLBM-NFQMXDRXSA-N 1 0 391.581 3.264 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000267408423 1434429944 /nfs/dbraw/zinc/42/99/44/1434429944.db2.gz HNZVZBLQRHZROW-AWEZNQCLSA-N 1 0 392.500 3.078 20 30 GGEDRO C[C@@H]1C[NH+](CCC2CCN(c3c(C#N)nnc4ccccc43)CC2)C[C@@H](C)O1 ZINC000267421616 1434431168 /nfs/dbraw/zinc/43/11/68/1434431168.db2.gz UPXKKQDBKBZYEL-IAGOWNOFSA-N 1 0 379.508 3.217 20 30 GGEDRO COCCOc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Cl ZINC000267434132 1434432570 /nfs/dbraw/zinc/43/25/70/1434432570.db2.gz VRZIIUYNQWBGFH-UHFFFAOYSA-N 1 0 382.892 3.064 20 30 GGEDRO [NH2+]=C(NCC[S@](=O)Cc1ccccc1)NCc1cccc(C(F)(F)F)c1 ZINC000267470437 1434437232 /nfs/dbraw/zinc/43/72/32/1434437232.db2.gz XOGUTRCUPNNCJI-SANMLTNESA-N 1 0 383.439 3.059 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000267492608 1434440299 /nfs/dbraw/zinc/44/02/99/1434440299.db2.gz WLSNNPKAQUJEAW-XMSQKQJNSA-N 1 0 377.488 3.158 20 30 GGEDRO CCn1nc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1C1CC1 ZINC000267496211 1434440913 /nfs/dbraw/zinc/44/09/13/1434440913.db2.gz XFOKSBXTCNVKBW-UHFFFAOYSA-N 1 0 380.496 3.248 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2csc(CCc3ccccc3)n2)CC1 ZINC000267665243 1434453734 /nfs/dbraw/zinc/45/37/34/1434453734.db2.gz YUYIFZGAERINKM-UHFFFAOYSA-N 1 0 384.549 3.378 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-n2cccn2)cc1 ZINC000267725570 1434458735 /nfs/dbraw/zinc/45/87/35/1434458735.db2.gz VSRNNFJRWJBHQB-KBXCAEBGSA-N 1 0 377.473 3.262 20 30 GGEDRO Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(OC[C@H]2CCCO2)c1 ZINC000267945532 1434479989 /nfs/dbraw/zinc/47/99/89/1434479989.db2.gz RORNERKWSZFPKW-GOSISDBHSA-N 1 0 388.512 3.252 20 30 GGEDRO C[C@@H]1C[NH+](CCCCNC(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000268010548 1434486715 /nfs/dbraw/zinc/48/67/15/1434486715.db2.gz PFOMKCZSXWGLGQ-RTBURBONSA-N 1 0 387.524 3.113 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3ccccc3[C@H]1CO)CCC2 ZINC000268086355 1434493697 /nfs/dbraw/zinc/49/36/97/1434493697.db2.gz HSVMOJVYAGNWPW-GOSISDBHSA-N 1 0 381.501 3.029 20 30 GGEDRO COc1ccc(OC(F)F)c(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1 ZINC000268094579 1434494099 /nfs/dbraw/zinc/49/40/99/1434494099.db2.gz UWSOWXRGIMCZKV-UHFFFAOYSA-N 1 0 381.379 3.241 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000268150493 1434497972 /nfs/dbraw/zinc/49/79/72/1434497972.db2.gz GSCURSARGVSTMM-SFHVURJKSA-N 1 0 381.476 3.438 20 30 GGEDRO CCc1nnc(NCc2ccccc2C[NH+]2CCC(O)CC2)c(C#N)c1CC ZINC000268173370 1434499672 /nfs/dbraw/zinc/49/96/72/1434499672.db2.gz JPATUKFBWNYGAY-UHFFFAOYSA-N 1 0 379.508 3.042 20 30 GGEDRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000268185947 1434500518 /nfs/dbraw/zinc/50/05/18/1434500518.db2.gz WXINYFYSZPISKA-UHFFFAOYSA-N 1 0 396.516 3.172 20 30 GGEDRO C=CCC(CC=C)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000268205835 1434501858 /nfs/dbraw/zinc/50/18/58/1434501858.db2.gz PDTORJVYMUFMGZ-UHFFFAOYSA-N 1 0 377.573 3.228 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C)cc2O[C@@H]2CCOC2)cc1OC ZINC000268228465 1434503733 /nfs/dbraw/zinc/50/37/33/1434503733.db2.gz UQINUMZFZRYMSY-QGZVFWFLSA-N 1 0 385.464 3.107 20 30 GGEDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000268437022 1434522778 /nfs/dbraw/zinc/52/27/78/1434522778.db2.gz FJKOZSDZAAZXGG-UHFFFAOYSA-N 1 0 377.488 3.190 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2nc(-c3ccc(CC)cc3)no2)CC1 ZINC000268533065 1434530775 /nfs/dbraw/zinc/53/07/75/1434530775.db2.gz FTKSOZVDANLDSE-OAHLLOKOSA-N 1 0 383.496 3.310 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc4nsnc43)CC2)c1 ZINC000268881714 1434567493 /nfs/dbraw/zinc/56/74/93/1434567493.db2.gz DVYOYGOCHNOOTF-UHFFFAOYSA-N 1 0 377.473 3.414 20 30 GGEDRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C)c1 ZINC000268894320 1434568546 /nfs/dbraw/zinc/56/85/46/1434568546.db2.gz BDXMAEJDNDUHNW-UHFFFAOYSA-N 1 0 391.519 3.419 20 30 GGEDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000268952077 1434574681 /nfs/dbraw/zinc/57/46/81/1434574681.db2.gz UDECJNYZXMRASS-UHFFFAOYSA-N 1 0 377.492 3.111 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269064217 1434587017 /nfs/dbraw/zinc/58/70/17/1434587017.db2.gz CFFVDWFRURIQJO-UHFFFAOYSA-N 1 0 398.894 3.260 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(Cl)c1 ZINC000269078356 1434588954 /nfs/dbraw/zinc/58/89/54/1434588954.db2.gz HFOQFNVSSZWLFY-LJQANCHMSA-N 1 0 396.878 3.103 20 30 GGEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1 ZINC000269081848 1434589409 /nfs/dbraw/zinc/58/94/09/1434589409.db2.gz IDJXXEIKLSTYLV-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c1 ZINC000269094344 1434590965 /nfs/dbraw/zinc/59/09/65/1434590965.db2.gz LTOPLRXNRUQVOY-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1C(F)(F)F ZINC000269118890 1434594344 /nfs/dbraw/zinc/59/43/44/1434594344.db2.gz IZRPPPLHIFJYET-IAGOWNOFSA-N 1 0 396.413 3.076 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269123092 1434594887 /nfs/dbraw/zinc/59/48/87/1434594887.db2.gz JSWRGDROQXZVFR-HZPDHXFCSA-N 1 0 389.931 3.234 20 30 GGEDRO N#Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000269158591 1434598865 /nfs/dbraw/zinc/59/88/65/1434598865.db2.gz SXLSNJWCZDGIRP-UHFFFAOYSA-N 1 0 398.894 3.490 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2c2ncnc3sc(C)cc32)CC1 ZINC000269324273 1434624196 /nfs/dbraw/zinc/62/41/96/1434624196.db2.gz USCDGKBNYKHWEB-SFHVURJKSA-N 1 0 399.564 3.125 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000269358749 1434630691 /nfs/dbraw/zinc/63/06/91/1434630691.db2.gz TZAORJKHWXQCCY-IRXDYDNUSA-N 1 0 397.972 3.477 20 30 GGEDRO Cc1oc(NC(=O)C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1C ZINC000269445440 1434647194 /nfs/dbraw/zinc/64/71/94/1434647194.db2.gz ORVJSMKUBJNTAO-UHFFFAOYSA-N 1 0 390.484 3.038 20 30 GGEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000269496275 1434653735 /nfs/dbraw/zinc/65/37/35/1434653735.db2.gz YKYFALGRMZXWEB-UHFFFAOYSA-N 1 0 389.931 3.234 20 30 GGEDRO CN(CCC#N)c1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cc1 ZINC000269520150 1434655768 /nfs/dbraw/zinc/65/57/68/1434655768.db2.gz RUXDCYCKUPJUKW-NRFANRHFSA-N 1 0 378.524 3.184 20 30 GGEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)c1 ZINC000269695249 1434669915 /nfs/dbraw/zinc/66/99/15/1434669915.db2.gz OTHTYADUBDMROM-NRFANRHFSA-N 1 0 394.519 3.142 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1C#N ZINC000269800088 1434676642 /nfs/dbraw/zinc/67/66/42/1434676642.db2.gz APZBBKKQDHLVBP-UHFFFAOYSA-N 1 0 385.468 3.123 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1C#N ZINC000269833942 1434679730 /nfs/dbraw/zinc/67/97/30/1434679730.db2.gz MLJWNHBABPUAGW-QGZVFWFLSA-N 1 0 385.468 3.219 20 30 GGEDRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000270085877 1434701328 /nfs/dbraw/zinc/70/13/28/1434701328.db2.gz KBQGBUCGQCTLPD-ZDUSSCGKSA-N 1 0 385.283 3.118 20 30 GGEDRO C#CC[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000270164436 1434708529 /nfs/dbraw/zinc/70/85/29/1434708529.db2.gz BLAFMFWTYYAVST-QHCPKHFHSA-N 1 0 391.515 3.207 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)CC1 ZINC000270218146 1434714138 /nfs/dbraw/zinc/71/41/38/1434714138.db2.gz MGFJCCWIMJDMSN-LJQANCHMSA-N 1 0 381.524 3.169 20 30 GGEDRO C=CCCOCC[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000270230284 1434715063 /nfs/dbraw/zinc/71/50/63/1434715063.db2.gz QSQIQJPREWRVQN-UHFFFAOYSA-N 1 0 390.524 3.159 20 30 GGEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C2)CC1 ZINC000270239008 1434715623 /nfs/dbraw/zinc/71/56/23/1434715623.db2.gz REUSWCCLSCOACI-HNNXBMFYSA-N 1 0 378.423 3.355 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)CC1 ZINC000270268452 1434718204 /nfs/dbraw/zinc/71/82/04/1434718204.db2.gz SUSONWDAABHCBX-IBGZPJMESA-N 1 0 381.524 3.251 20 30 GGEDRO C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000270340635 1434724865 /nfs/dbraw/zinc/72/48/65/1434724865.db2.gz LBPGRAVNNMEZRR-MRXNPFEDSA-N 1 0 380.467 3.135 20 30 GGEDRO N#CCc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1 ZINC000270348285 1434725231 /nfs/dbraw/zinc/72/52/31/1434725231.db2.gz SZDBNJZQAHMTAK-UHFFFAOYSA-N 1 0 381.451 3.165 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(CC#N)cc3)CC2)cc1 ZINC000270357721 1434726092 /nfs/dbraw/zinc/72/60/92/1434726092.db2.gz QOMSQFVVVRTAJQ-UHFFFAOYSA-N 1 0 377.488 3.403 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc(OCC#N)c1)c1cccc(OC)c1 ZINC000270476979 1434736937 /nfs/dbraw/zinc/73/69/37/1434736937.db2.gz OPYYIJIKUHHFFI-JOCHJYFZSA-N 1 0 395.503 3.339 20 30 GGEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2)C1 ZINC000270531555 1434741921 /nfs/dbraw/zinc/74/19/21/1434741921.db2.gz VQDSCGATKPMMNM-SFHVURJKSA-N 1 0 393.487 3.491 20 30 GGEDRO COc1ccc(C[C@H](C)CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)cc1OC ZINC000270560254 1434744637 /nfs/dbraw/zinc/74/46/37/1434744637.db2.gz JIHCBYIMCPUKHY-AWEZNQCLSA-N 1 0 387.480 3.326 20 30 GGEDRO COc1ccc(C[C@@H](C)CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)cc1OC ZINC000270560256 1434744983 /nfs/dbraw/zinc/74/49/83/1434744983.db2.gz JIHCBYIMCPUKHY-CQSZACIVSA-N 1 0 387.480 3.326 20 30 GGEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)CC1 ZINC000270687588 1434762146 /nfs/dbraw/zinc/76/21/46/1434762146.db2.gz ZPQCSOMNQWVXCV-JOCHJYFZSA-N 1 0 397.567 3.231 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270696130 1434763260 /nfs/dbraw/zinc/76/32/60/1434763260.db2.gz SAPHTKADKXBXRX-UHFFFAOYSA-N 1 0 386.471 3.059 20 30 GGEDRO CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000270709417 1434764693 /nfs/dbraw/zinc/76/46/93/1434764693.db2.gz ZZTUMDQIWUCTQX-RTWAWAEBSA-N 1 0 398.551 3.369 20 30 GGEDRO CC(C)(C)[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000270709395 1434764853 /nfs/dbraw/zinc/76/48/53/1434764853.db2.gz ZZTUMDQIWUCTQX-LEWJYISDSA-N 1 0 398.551 3.369 20 30 GGEDRO C=C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000270821081 1434778563 /nfs/dbraw/zinc/77/85/63/1434778563.db2.gz IEVGNZDNYCRZHI-YMPZKCBVSA-N 1 0 378.516 3.346 20 30 GGEDRO C[NH+](C)CCCC1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000270916097 1434787840 /nfs/dbraw/zinc/78/78/40/1434787840.db2.gz DNHPWZNXICZSNM-UHFFFAOYSA-N 1 0 398.551 3.294 20 30 GGEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000270936427 1434789140 /nfs/dbraw/zinc/78/91/40/1434789140.db2.gz IXLMFVLJYZADCV-UHFFFAOYSA-N 1 0 388.512 3.169 20 30 GGEDRO COc1ccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)cc1OCCCC#N ZINC000271112574 1434802639 /nfs/dbraw/zinc/80/26/39/1434802639.db2.gz AIHVWNSQPGBFEZ-OAQYLSRUSA-N 1 0 398.503 3.387 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)c1C#N ZINC000271204144 1434807860 /nfs/dbraw/zinc/80/78/60/1434807860.db2.gz RPPSQSZFZVNNNA-QFIPXVFZSA-N 1 0 398.507 3.183 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NC2CCC(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000271226026 1434809218 /nfs/dbraw/zinc/80/92/18/1434809218.db2.gz RDJFOTRUUHJAHY-UHFFFAOYSA-N 1 0 391.512 3.009 20 30 GGEDRO COc1ccc(NC(=[NH2+])NC2CCC(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000271241315 1434810362 /nfs/dbraw/zinc/81/03/62/1434810362.db2.gz YUOVZPZKZFMUQY-UHFFFAOYSA-N 1 0 377.485 3.331 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(OC)cc2)CC1 ZINC000271434332 1434824579 /nfs/dbraw/zinc/82/45/79/1434824579.db2.gz BRRGQLNIFOAYOI-OXJNMPFZSA-N 1 0 375.513 3.111 20 30 GGEDRO COc1cc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc(OC)c1OC ZINC000271626784 1434839952 /nfs/dbraw/zinc/83/99/52/1434839952.db2.gz AYCATUOUZHRABY-INIZCTEOSA-N 1 0 397.475 3.310 20 30 GGEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc(OC)c1OC ZINC000271634170 1434840754 /nfs/dbraw/zinc/84/07/54/1434840754.db2.gz BUANOFFHOBILGP-OAHLLOKOSA-N 1 0 389.496 3.048 20 30 GGEDRO C[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000271653616 1434842089 /nfs/dbraw/zinc/84/20/89/1434842089.db2.gz JPJDYIDHINJZCX-JXFKEZNVSA-N 1 0 391.471 3.344 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000271661900 1434842717 /nfs/dbraw/zinc/84/27/17/1434842717.db2.gz KKQYJQRTMPCIRE-CQSZACIVSA-N 1 0 391.393 3.466 20 30 GGEDRO CCOCCOCc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000271672238 1434843201 /nfs/dbraw/zinc/84/32/01/1434843201.db2.gz NRLNXOICRJPAMV-SFHVURJKSA-N 1 0 395.503 3.078 20 30 GGEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)c1ccccc1 ZINC000271680065 1434843846 /nfs/dbraw/zinc/84/38/46/1434843846.db2.gz IFURFRRPNVESJC-OAQYLSRUSA-N 1 0 377.488 3.461 20 30 GGEDRO COc1ccc([C@H](CCO)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1 ZINC000271682813 1434844037 /nfs/dbraw/zinc/84/40/37/1434844037.db2.gz PENUNUVHVHYRTF-QFIPXVFZSA-N 1 0 395.503 3.272 20 30 GGEDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000271704204 1434845201 /nfs/dbraw/zinc/84/52/01/1434845201.db2.gz TYFQUESAODCILL-JOCHJYFZSA-N 1 0 395.503 3.272 20 30 GGEDRO C#CC[C@H]([NH2+]CC(=O)NCc1cccc(COCCOCC)c1)c1ccccc1 ZINC000271710384 1434845518 /nfs/dbraw/zinc/84/55/18/1434845518.db2.gz OHAMPSQQIOQBDJ-QHCPKHFHSA-N 1 0 394.515 3.210 20 30 GGEDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271741920 1434847396 /nfs/dbraw/zinc/84/73/96/1434847396.db2.gz CLVZFOYUBOJEFI-UHFFFAOYSA-N 1 0 380.404 3.083 20 30 GGEDRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1OC ZINC000271766220 1434848986 /nfs/dbraw/zinc/84/89/86/1434848986.db2.gz ISQSPMMFVJTOHZ-MRXNPFEDSA-N 1 0 393.487 3.340 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000271773796 1434849547 /nfs/dbraw/zinc/84/95/47/1434849547.db2.gz GOKJJXMBAFCQAF-HNNXBMFYSA-N 1 0 381.432 3.253 20 30 GGEDRO CCCOCc1ccccc1CNC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271776809 1434849723 /nfs/dbraw/zinc/84/97/23/1434849723.db2.gz KUGDLKZZAUCMHL-UHFFFAOYSA-N 1 0 377.488 3.380 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000271825438 1434853006 /nfs/dbraw/zinc/85/30/06/1434853006.db2.gz OJZNARHBEWUAQL-GFCCVEGCSA-N 1 0 382.851 3.020 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000271837902 1434853988 /nfs/dbraw/zinc/85/39/88/1434853988.db2.gz GFLCAPBSRWUXCT-NQZBTDCJSA-N 1 0 385.414 3.490 20 30 GGEDRO COCCOc1ccccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271846963 1434854536 /nfs/dbraw/zinc/85/45/36/1434854536.db2.gz HXQVLOXCPGCXDU-UHFFFAOYSA-N 1 0 379.504 3.338 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(C(=O)NC4CC4)c3)CC2)cc1 ZINC000271902764 1434858242 /nfs/dbraw/zinc/85/82/42/1434858242.db2.gz VXNXAMRQFGYLEI-UHFFFAOYSA-N 1 0 388.515 3.205 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000271931694 1434860077 /nfs/dbraw/zinc/86/00/77/1434860077.db2.gz LKKDIRGLFSYGPV-UONOGXRCSA-N 1 0 375.469 3.359 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000271931695 1434860117 /nfs/dbraw/zinc/86/01/17/1434860117.db2.gz LKKDIRGLFSYGPV-ZIAGYGMSSA-N 1 0 375.469 3.359 20 30 GGEDRO CC(C)C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271981057 1434863358 /nfs/dbraw/zinc/86/33/58/1434863358.db2.gz OWNBDTFJYYIMGM-VXKWHMMOSA-N 1 0 398.551 3.369 20 30 GGEDRO C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271984620 1434863733 /nfs/dbraw/zinc/86/37/33/1434863733.db2.gz ZXADZVLZNLWBJM-OAHLLOKOSA-N 1 0 381.451 3.248 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)Cc1ccccc1 ZINC000272026006 1434867146 /nfs/dbraw/zinc/86/71/46/1434867146.db2.gz CVOYVOGRLSIEMY-LJQANCHMSA-N 1 0 382.512 3.180 20 30 GGEDRO C#CCCN1CC[NH+](C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032245 1434867419 /nfs/dbraw/zinc/86/74/19/1434867419.db2.gz PHGUVPREFNHVLV-JWQCQUIFSA-N 1 0 392.543 3.103 20 30 GGEDRO C#CCCN1CC[NH+](C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032246 1434867462 /nfs/dbraw/zinc/86/74/62/1434867462.db2.gz PHGUVPREFNHVLV-LOSJGSFVSA-N 1 0 392.543 3.103 20 30 GGEDRO Cc1cc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)nn1CCC#N ZINC000272046136 1434868419 /nfs/dbraw/zinc/86/84/19/1434868419.db2.gz GOMDEJJMAAUEBN-UHFFFAOYSA-N 1 0 380.496 3.234 20 30 GGEDRO Cc1cc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272052121 1434868995 /nfs/dbraw/zinc/86/89/95/1434868995.db2.gz HPPNRGSTUZVLAH-LJQANCHMSA-N 1 0 380.496 3.234 20 30 GGEDRO Cc1cc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)nn1CCC#N ZINC000272067737 1434870076 /nfs/dbraw/zinc/87/00/76/1434870076.db2.gz JUGHLWXCNJBSQM-UHFFFAOYSA-N 1 0 380.496 3.064 20 30 GGEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1CCC#N ZINC000272081305 1434870783 /nfs/dbraw/zinc/87/07/83/1434870783.db2.gz LQSJZONZMDNQII-QFBILLFUSA-N 1 0 380.496 3.137 20 30 GGEDRO COCCOc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272091546 1434871666 /nfs/dbraw/zinc/87/16/66/1434871666.db2.gz DNCRERGQLHWMFU-UHFFFAOYSA-N 1 0 376.460 3.274 20 30 GGEDRO CC(C)C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272139230 1434874312 /nfs/dbraw/zinc/87/43/12/1434874312.db2.gz UJCRCRDGSPIFMK-LEWJYISDSA-N 1 0 386.540 3.225 20 30 GGEDRO CC(C)C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272139231 1434874345 /nfs/dbraw/zinc/87/43/45/1434874345.db2.gz UJCRCRDGSPIFMK-NHCUHLMSSA-N 1 0 386.540 3.225 20 30 GGEDRO Cc1cc(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)nn1CCC#N ZINC000272163965 1434875639 /nfs/dbraw/zinc/87/56/39/1434875639.db2.gz ZFWGZOYNHBCEKS-IRXDYDNUSA-N 1 0 394.523 3.383 20 30 GGEDRO C=C(C)C[NH+]1CCC(NCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000272246693 1434881386 /nfs/dbraw/zinc/88/13/86/1434881386.db2.gz BKGVMANLDLHABT-UHFFFAOYSA-N 1 0 399.438 3.377 20 30 GGEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@H]2C1 ZINC000272380253 1434892198 /nfs/dbraw/zinc/89/21/98/1434892198.db2.gz BRQYKYPGZJMHRP-UGKGYDQZSA-N 1 0 375.472 3.303 20 30 GGEDRO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272451187 1434897205 /nfs/dbraw/zinc/89/72/05/1434897205.db2.gz PQFZBSQGKPNJIQ-PKOBYXMFSA-N 1 0 380.496 3.137 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(-c4ccccn4)s3)CC2)cc1 ZINC000272534757 1434904851 /nfs/dbraw/zinc/90/48/51/1434904851.db2.gz PDLRYLMIYQYJDV-UHFFFAOYSA-N 1 0 376.489 3.184 20 30 GGEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000272538957 1434905680 /nfs/dbraw/zinc/90/56/80/1434905680.db2.gz ROZRIMLIJVJMCW-DOTOQJQBSA-N 1 0 386.496 3.122 20 30 GGEDRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c(C)n2n1 ZINC000272574407 1434909341 /nfs/dbraw/zinc/90/93/41/1434909341.db2.gz POMCIGGKMHRPIQ-FOIQADDNSA-N 1 0 388.475 3.064 20 30 GGEDRO CCc1noc(C2CCC([NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000272577947 1434909925 /nfs/dbraw/zinc/90/99/25/1434909925.db2.gz QBUPJFSCQHKDAD-FAFZWHIHSA-N 1 0 393.491 3.315 20 30 GGEDRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000272595674 1434912564 /nfs/dbraw/zinc/91/25/64/1434912564.db2.gz SSBPFVWSBAKQIZ-KDOFPFPSSA-N 1 0 398.532 3.358 20 30 GGEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC000272681213 1434922270 /nfs/dbraw/zinc/92/22/70/1434922270.db2.gz RYPRGPNREMFTMP-QFIPXVFZSA-N 1 0 393.487 3.093 20 30 GGEDRO C=CCN(CCc1ccco1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000272685612 1434922754 /nfs/dbraw/zinc/92/27/54/1434922754.db2.gz WEYMAADGWRYVHU-UHFFFAOYSA-N 1 0 382.504 3.355 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000272708147 1434924775 /nfs/dbraw/zinc/92/47/75/1434924775.db2.gz WTLDCDGFHBBJSN-QGZVFWFLSA-N 1 0 396.491 3.282 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000272893893 1434939258 /nfs/dbraw/zinc/93/92/58/1434939258.db2.gz TXJNMEABLHOHOU-KRWDZBQOSA-N 1 0 399.516 3.165 20 30 GGEDRO C=CCS(=O)(=O)CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000272913612 1434940591 /nfs/dbraw/zinc/94/05/91/1434940591.db2.gz DWJXRNUXCKXGCD-UHFFFAOYSA-N 1 0 393.553 3.173 20 30 GGEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000272921273 1434941280 /nfs/dbraw/zinc/94/12/80/1434941280.db2.gz YCEGHZOHXSKDAM-MRXNPFEDSA-N 1 0 392.546 3.387 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3cc(C)n[nH]3)CC2)c(OC)c1 ZINC000273016925 1434950545 /nfs/dbraw/zinc/95/05/45/1434950545.db2.gz RMNZQBCMFRJDRD-LJQANCHMSA-N 1 0 385.508 3.075 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000273017396 1434950733 /nfs/dbraw/zinc/95/07/33/1434950733.db2.gz KILHNMCTUUJTKN-CTNGQTDRSA-N 1 0 381.501 3.004 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000273017050 1434950765 /nfs/dbraw/zinc/95/07/65/1434950765.db2.gz CXTJTBBEMMJZKT-IFMALSPDSA-N 1 0 396.491 3.104 20 30 GGEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CO)c2ccc(F)cc2)sc2c1CCCC2 ZINC000273092866 1434960008 /nfs/dbraw/zinc/96/00/08/1434960008.db2.gz JYLMIPMATFKYSO-KRWDZBQOSA-N 1 0 387.480 3.289 20 30 GGEDRO C[C@H](CCNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000273116730 1434963367 /nfs/dbraw/zinc/96/33/67/1434963367.db2.gz FMFFYNWJWWYABA-LJQANCHMSA-N 1 0 384.524 3.094 20 30 GGEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000273388590 1434985580 /nfs/dbraw/zinc/98/55/80/1434985580.db2.gz JMXSYHHDTVQUID-HNNXBMFYSA-N 1 0 381.442 3.429 20 30 GGEDRO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273392087 1434985745 /nfs/dbraw/zinc/98/57/45/1434985745.db2.gz FJMYIFGICYZQOK-NHCUHLMSSA-N 1 0 381.451 3.166 20 30 GGEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[C@@]12CCCO2 ZINC000273602069 1434999315 /nfs/dbraw/zinc/99/93/15/1434999315.db2.gz MARMXJRCYHSVKN-VWPQPMDRSA-N 1 0 380.492 3.280 20 30 GGEDRO C=C(C)[C@@H](Cc1nc(-c2ccc(OCC[NH+](C)C)c(OC)c2)no1)OCC ZINC000273734678 1435009145 /nfs/dbraw/zinc/00/91/45/1435009145.db2.gz LEFCVFLKVYKBKP-QGZVFWFLSA-N 1 0 375.469 3.209 20 30 GGEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(/C=C/c4ccccc4C#N)n3)cn2)CC1 ZINC000273794972 1435015123 /nfs/dbraw/zinc/01/51/23/1435015123.db2.gz HFXDTHHMLTXTGG-CSKARUKUSA-N 1 0 386.459 3.316 20 30 GGEDRO C[NH+](C)CCOc1cc(-c2noc(CSc3ccc(C#N)cc3)n2)ccn1 ZINC000273809055 1435016807 /nfs/dbraw/zinc/01/68/07/1435016807.db2.gz CCWKTMIBHGRFPX-UHFFFAOYSA-N 1 0 381.461 3.236 20 30 GGEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000273886479 1435025287 /nfs/dbraw/zinc/02/52/87/1435025287.db2.gz SHROZRCUVIZALF-XUVXKRRUSA-N 1 0 385.508 3.452 20 30 GGEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000273886476 1435025346 /nfs/dbraw/zinc/02/53/46/1435025346.db2.gz SHROZRCUVIZALF-VAMGGRTRSA-N 1 0 385.508 3.452 20 30 GGEDRO C[NH+](C)CCOc1ccccc1-c1noc(Cc2cccc(OCC#N)c2)n1 ZINC000273907997 1435027587 /nfs/dbraw/zinc/02/75/87/1435027587.db2.gz PVMWTKIVPNLMPY-UHFFFAOYSA-N 1 0 378.432 3.170 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CC1 ZINC000273910053 1435027885 /nfs/dbraw/zinc/02/78/85/1435027885.db2.gz PGQYHGRLUVUBQF-UHFFFAOYSA-N 1 0 376.382 3.175 20 30 GGEDRO COc1cc(C#N)ccc1OCc1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000274006598 1435036403 /nfs/dbraw/zinc/03/64/03/1435036403.db2.gz YVOWGEXRKRDPBX-UHFFFAOYSA-N 1 0 394.431 3.136 20 30 GGEDRO NC(=[NH+]OCc1nc(Cl)ccc1Cl)c1ccc(N2CCC(O)CC2)cc1 ZINC000274119651 1435045165 /nfs/dbraw/zinc/04/51/65/1435045165.db2.gz YIWCWEMHEITYID-UHFFFAOYSA-N 1 0 395.290 3.187 20 30 GGEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788816 1435092655 /nfs/dbraw/zinc/09/26/55/1435092655.db2.gz BOHAZDDEWPJURT-DYXWJJEUSA-N 1 0 382.552 3.218 20 30 GGEDRO Cc1cc(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)nn1CCC#N ZINC000274869945 1435099574 /nfs/dbraw/zinc/09/95/74/1435099574.db2.gz WYVIPGYEUUYJBI-IBGZPJMESA-N 1 0 380.496 3.137 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc3cccc(Cl)c3n2C)CC1 ZINC000274878092 1435100449 /nfs/dbraw/zinc/10/04/49/1435100449.db2.gz YURFMDWSCUVAGT-UHFFFAOYSA-N 1 0 375.904 3.066 20 30 GGEDRO Cc1oc(NC(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274881114 1435100739 /nfs/dbraw/zinc/10/07/39/1435100739.db2.gz ZRVCNWLYYCXPNT-MGPUTAFESA-N 1 0 380.492 3.207 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274885153 1435101170 /nfs/dbraw/zinc/10/11/70/1435101170.db2.gz GNUUUTVDEBGVRE-SFHVURJKSA-N 1 0 379.464 3.160 20 30 GGEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000275016670 1435109946 /nfs/dbraw/zinc/10/99/46/1435109946.db2.gz GCMBZCHHCJDLDS-AQNXPRMDSA-N 1 0 393.478 3.259 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](O)C(C)(C)C3)sc2C1 ZINC000275414338 1435137830 /nfs/dbraw/zinc/13/78/30/1435137830.db2.gz GPLPENCEZKICKI-CXAGYDPISA-N 1 0 375.538 3.166 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](O)C(C)(C)C3)sc2C1 ZINC000275414346 1435137875 /nfs/dbraw/zinc/13/78/75/1435137875.db2.gz GPLPENCEZKICKI-GUYCJALGSA-N 1 0 375.538 3.166 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275606725 1435152395 /nfs/dbraw/zinc/15/23/95/1435152395.db2.gz HTKOIIBFCQYIJR-UHFFFAOYSA-N 1 0 380.492 3.343 20 30 GGEDRO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000275698444 1435160708 /nfs/dbraw/zinc/16/07/08/1435160708.db2.gz XKXJDIMOPAWOPF-PGRDOPGGSA-N 1 0 398.507 3.462 20 30 GGEDRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000275710454 1435161816 /nfs/dbraw/zinc/16/18/16/1435161816.db2.gz MDSYIGOPBIXJKS-UHFFFAOYSA-N 1 0 394.475 3.050 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1 ZINC000275754168 1435165941 /nfs/dbraw/zinc/16/59/41/1435165941.db2.gz DWUDMNZPHAEOLC-UHFFFAOYSA-N 1 0 381.476 3.323 20 30 GGEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000275862915 1435175492 /nfs/dbraw/zinc/17/54/92/1435175492.db2.gz OXHAWOGJGSQWTP-UHFFFAOYSA-N 1 0 384.484 3.470 20 30 GGEDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000275891166 1435177675 /nfs/dbraw/zinc/17/76/75/1435177675.db2.gz FQQLUVACBKJDMH-UHFFFAOYSA-N 1 0 390.553 3.211 20 30 GGEDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000276347143 1435206153 /nfs/dbraw/zinc/20/61/53/1435206153.db2.gz RBOKEAQTTDMIGP-UHFFFAOYSA-N 1 0 398.429 3.096 20 30 GGEDRO CCn1nccc1N1CCC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1=O ZINC000276616399 1435220762 /nfs/dbraw/zinc/22/07/62/1435220762.db2.gz CZRVJMGONOCHJT-LRZVDXDASA-N 1 0 391.519 3.392 20 30 GGEDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cc1OCCCC#N ZINC000276929366 1435243886 /nfs/dbraw/zinc/24/38/86/1435243886.db2.gz MDEOJHXOFCZSTJ-HNNXBMFYSA-N 1 0 377.485 3.381 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277184604 1435275352 /nfs/dbraw/zinc/27/53/52/1435275352.db2.gz LMFMUHVIKHHXSQ-GOSISDBHSA-N 1 0 378.432 3.211 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000277204587 1435278088 /nfs/dbraw/zinc/27/80/88/1435278088.db2.gz JUNLGZIVWJORNC-VGOFRKELSA-N 1 0 385.471 3.196 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000277210617 1435278981 /nfs/dbraw/zinc/27/89/81/1435278981.db2.gz HCISCTZJPSUWEQ-UHFFFAOYSA-N 1 0 375.488 3.167 20 30 GGEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000277467876 1435306549 /nfs/dbraw/zinc/30/65/49/1435306549.db2.gz HNYJQBWYQDBXJQ-UHFFFAOYSA-N 1 0 390.487 3.144 20 30 GGEDRO COc1ccc(S(=O)(=O)N2CCC[N@H+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000277646985 1435318918 /nfs/dbraw/zinc/31/89/18/1435318918.db2.gz IACCBZRPFNIYMS-UHFFFAOYSA-N 1 0 393.553 3.112 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000277672240 1435320895 /nfs/dbraw/zinc/32/08/95/1435320895.db2.gz FTFHZQOGMVJLCZ-CRAIPNDOSA-N 1 0 378.398 3.094 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277801701 1435331770 /nfs/dbraw/zinc/33/17/70/1435331770.db2.gz PLNMUVMCOFYOOS-UHFFFAOYSA-N 1 0 377.488 3.204 20 30 GGEDRO C[NH+](C)Cc1ccsc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277874687 1435338107 /nfs/dbraw/zinc/33/81/07/1435338107.db2.gz DUEGABWCWBKCLP-UHFFFAOYSA-N 1 0 388.924 3.297 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278039230 1435352792 /nfs/dbraw/zinc/35/27/92/1435352792.db2.gz CDXLGIJVWWXGLM-SFHVURJKSA-N 1 0 397.441 3.355 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(C(=O)OC)cc1)[n+]1cccc(C)c1 ZINC000278167131 1435365782 /nfs/dbraw/zinc/36/57/82/1435365782.db2.gz DPEUYURRRXNJCO-HNNXBMFYSA-O 1 0 385.509 3.396 20 30 GGEDRO COc1c(O)c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] ZINC000278181264 1435367205 /nfs/dbraw/zinc/36/72/05/1435367205.db2.gz GZFDVXNYSFBVHP-UHFFFAOYSA-N 1 0 383.404 3.224 20 30 GGEDRO COC(=O)c1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(C)cc2)cc1 ZINC000278330194 1435380710 /nfs/dbraw/zinc/38/07/10/1435380710.db2.gz TZDZWLCXPVJDCW-UHFFFAOYSA-O 1 0 385.509 3.396 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccnc(Oc3ccccc3F)c2)CC1 ZINC000278388942 1435386425 /nfs/dbraw/zinc/38/64/25/1435386425.db2.gz DOPQXEBKSBJUHF-UHFFFAOYSA-N 1 0 384.455 3.463 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278396734 1435387381 /nfs/dbraw/zinc/38/73/81/1435387381.db2.gz VWFHRCDPGVSSKK-UHFFFAOYSA-N 1 0 383.414 3.063 20 30 GGEDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000278401738 1435387715 /nfs/dbraw/zinc/38/77/15/1435387715.db2.gz WQBSZJBMRXPMPX-DENIHFKCSA-N 1 0 380.488 3.071 20 30 GGEDRO COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000278458718 1435392485 /nfs/dbraw/zinc/39/24/85/1435392485.db2.gz YNKNPTWYOTUIOV-JTSKRJEESA-N 1 0 386.467 3.112 20 30 GGEDRO COC[C@@H](C)OC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000278458719 1435392618 /nfs/dbraw/zinc/39/26/18/1435392618.db2.gz YNKNPTWYOTUIOV-VGOFRKELSA-N 1 0 386.467 3.112 20 30 GGEDRO CN(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(F)cc1 ZINC000278542457 1435398608 /nfs/dbraw/zinc/39/86/08/1435398608.db2.gz ADRQGAIMFPCAQQ-UHFFFAOYSA-N 1 0 392.482 3.219 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCN2CCc3ccccc3C2)c(-c2ccncc2)n1 ZINC000278543968 1435398747 /nfs/dbraw/zinc/39/87/47/1435398747.db2.gz AMGYYGDQCCVAGF-UHFFFAOYSA-N 1 0 386.503 3.007 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)Nc2ccccc2OCC[NH+](CC)CC)n1 ZINC000278575012 1435401453 /nfs/dbraw/zinc/40/14/53/1435401453.db2.gz CBIVTITVPJSWPS-UHFFFAOYSA-N 1 0 397.523 3.291 20 30 GGEDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(C)o1 ZINC000278579932 1435402248 /nfs/dbraw/zinc/40/22/48/1435402248.db2.gz FQRATVLVMIPBDS-NRFANRHFSA-N 1 0 379.464 3.066 20 30 GGEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000278587319 1435402743 /nfs/dbraw/zinc/40/27/43/1435402743.db2.gz YUSDPFDFIASHNL-INIZCTEOSA-N 1 0 386.496 3.062 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCCc2nc3ccccc3[nH]2)c(-c2ccncc2)n1 ZINC000278590962 1435403059 /nfs/dbraw/zinc/40/30/59/1435403059.db2.gz GUNQOWLMRONORD-UHFFFAOYSA-N 1 0 385.475 3.457 20 30 GGEDRO CCCOc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000278604582 1435404597 /nfs/dbraw/zinc/40/45/97/1435404597.db2.gz IDAPHXGSNXZEGQ-UHFFFAOYSA-N 1 0 376.464 3.332 20 30 GGEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c(-c2ccncc2)n1 ZINC000278614444 1435405926 /nfs/dbraw/zinc/40/59/26/1435405926.db2.gz JBATVJZWJNYZKC-UHFFFAOYSA-N 1 0 387.491 3.144 20 30 GGEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccc(F)c1 ZINC000278616764 1435406017 /nfs/dbraw/zinc/40/60/17/1435406017.db2.gz JJZCDVJMZVJOAT-NRFANRHFSA-N 1 0 392.482 3.390 20 30 GGEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccs1 ZINC000278621739 1435406717 /nfs/dbraw/zinc/40/67/17/1435406717.db2.gz JTVBUCHQBPPBMN-SFHVURJKSA-N 1 0 380.521 3.313 20 30 GGEDRO C=CCSc1ccccc1NC(=O)CN1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278629111 1435407245 /nfs/dbraw/zinc/40/72/45/1435407245.db2.gz KTHNKGIZCMKOBS-KRWDZBQOSA-N 1 0 389.565 3.088 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(-c2ccncc2)n1 ZINC000278639698 1435408535 /nfs/dbraw/zinc/40/85/35/1435408535.db2.gz LJEMCTUPNLEBTI-FQEVSTJZSA-N 1 0 390.491 3.378 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(-c2ccncc2)n1 ZINC000278658664 1435411059 /nfs/dbraw/zinc/41/10/59/1435411059.db2.gz NBZYTSMILDNQQJ-UHFFFAOYSA-N 1 0 376.420 3.099 20 30 GGEDRO CCCOc1ncccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278658367 1435411240 /nfs/dbraw/zinc/41/12/40/1435411240.db2.gz NABVLOGQKAVRGK-UHFFFAOYSA-N 1 0 376.464 3.332 20 30 GGEDRO COCc1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)ccc1F ZINC000278675482 1435413250 /nfs/dbraw/zinc/41/32/50/1435413250.db2.gz ONQFKHFHOZQCJS-UHFFFAOYSA-N 1 0 379.439 3.434 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCCCNc2ccccn2)c(-c2ccncc2)n1 ZINC000278692809 1435414301 /nfs/dbraw/zinc/41/43/01/1435414301.db2.gz QEAGTLFUPVIUQV-UHFFFAOYSA-N 1 0 375.480 3.236 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c(-c2ccncc2)n1 ZINC000278719895 1435416953 /nfs/dbraw/zinc/41/69/53/1435416953.db2.gz SUCXOXQRNZRRBN-HXUWFJFHSA-N 1 0 395.507 3.414 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@H](CCCO)c2ccccc2)c(-c2ccncc2)n1 ZINC000278731351 1435418160 /nfs/dbraw/zinc/41/81/60/1435418160.db2.gz UKUCOQOJMVXIIZ-OAQYLSRUSA-N 1 0 375.476 3.462 20 30 GGEDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278733393 1435418370 /nfs/dbraw/zinc/41/83/70/1435418370.db2.gz UPBRANBQBUOYEB-LAUBAEHRSA-N 1 0 375.476 3.461 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(C(=O)N(CC)C(C)C)c2)CC1 ZINC000278753704 1435420242 /nfs/dbraw/zinc/42/02/42/1435420242.db2.gz UZOHIMZAUBNVJW-UHFFFAOYSA-N 1 0 389.927 3.494 20 30 GGEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N1CCc2ccccc21 ZINC000278784917 1435423420 /nfs/dbraw/zinc/42/34/20/1435423420.db2.gz ZPYIHQLQRBMPBE-SFHVURJKSA-N 1 0 386.503 3.400 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278850387 1435431138 /nfs/dbraw/zinc/43/11/38/1435431138.db2.gz KEXNTAZJYYECKL-UHFFFAOYSA-N 1 0 380.492 3.358 20 30 GGEDRO CC[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C#N)cc1 ZINC000278884161 1435435321 /nfs/dbraw/zinc/43/53/21/1435435321.db2.gz YAYCYCMEMVCPLT-IBGZPJMESA-N 1 0 387.480 3.478 20 30 GGEDRO N#Cc1cccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)on2)c1 ZINC000278940572 1435442866 /nfs/dbraw/zinc/44/28/66/1435442866.db2.gz FLTQVICLFWKQQN-UHFFFAOYSA-N 1 0 387.443 3.003 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc([C@@H]2CCCOC2)nn1C)C(C)C ZINC000279058585 1435456478 /nfs/dbraw/zinc/45/64/78/1435456478.db2.gz ALCHNGVDYRVURD-IEBWSBKVSA-N 1 0 389.544 3.134 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C)C1 ZINC000279110773 1435461530 /nfs/dbraw/zinc/46/15/30/1435461530.db2.gz UUTWUDWTUWPOGP-LPHOPBHVSA-N 1 0 396.491 3.080 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000279117301 1435461984 /nfs/dbraw/zinc/46/19/84/1435461984.db2.gz WOPOFGZYDFYIDV-FOIQADDNSA-N 1 0 393.478 3.477 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc([C@H]2CCCO2)nn1C)C(C)C ZINC000279128549 1435463031 /nfs/dbraw/zinc/46/30/31/1435463031.db2.gz YPLWRYMVZIKJNP-QZTJIDSGSA-N 1 0 375.517 3.092 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc([C@H]2CCCO2)nn1C)C(C)C ZINC000279128551 1435463062 /nfs/dbraw/zinc/46/30/62/1435463062.db2.gz YPLWRYMVZIKJNP-ZWKOTPCHSA-N 1 0 375.517 3.092 20 30 GGEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCO1 ZINC000279157581 1435466072 /nfs/dbraw/zinc/46/60/72/1435466072.db2.gz ZMABUCQAUOUSFZ-IAGOWNOFSA-N 1 0 391.537 3.001 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000279198602 1435470699 /nfs/dbraw/zinc/47/06/99/1435470699.db2.gz FULGUGSYGZUALM-NRFANRHFSA-N 1 0 384.451 3.118 20 30 GGEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000279237742 1435475370 /nfs/dbraw/zinc/47/53/70/1435475370.db2.gz FNXASVQIXCVTLJ-HXUWFJFHSA-N 1 0 387.487 3.021 20 30 GGEDRO N#CCCn1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345797 1435488889 /nfs/dbraw/zinc/48/88/89/1435488889.db2.gz FNLZHZMXANQBII-KNQAVFIVSA-N 1 0 390.535 3.307 20 30 GGEDRO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279351593 1435489891 /nfs/dbraw/zinc/48/98/91/1435489891.db2.gz GDRJWNCEFRVGAE-UHFFFAOYSA-N 1 0 395.507 3.412 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000279358712 1435490796 /nfs/dbraw/zinc/49/07/96/1435490796.db2.gz DDRCOGJOMRIWGV-UHFFFAOYSA-N 1 0 399.564 3.022 20 30 GGEDRO COc1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1O ZINC000279367566 1435491755 /nfs/dbraw/zinc/49/17/55/1435491755.db2.gz IJLMSQBBONMDQS-UHFFFAOYSA-N 1 0 377.448 3.205 20 30 GGEDRO C#CCn1ccc(CN(CC)Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000279367493 1435491790 /nfs/dbraw/zinc/49/17/90/1435491790.db2.gz IFOJLYCJTNALDM-UHFFFAOYSA-N 1 0 379.552 3.069 20 30 GGEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000279447874 1435500688 /nfs/dbraw/zinc/50/06/88/1435500688.db2.gz ZEFUETORXGVUEL-FQEVSTJZSA-N 1 0 390.512 3.428 20 30 GGEDRO N#CCCn1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000279452510 1435500842 /nfs/dbraw/zinc/50/08/42/1435500842.db2.gz SVEMHMUTSROHCE-NRFANRHFSA-N 1 0 378.524 3.309 20 30 GGEDRO C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1n1ccnc1 ZINC000279490811 1435505346 /nfs/dbraw/zinc/50/53/46/1435505346.db2.gz XYSHYDDCBGBBKT-YLJYHZDGSA-N 1 0 375.480 3.138 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)n1 ZINC000279555273 1435512570 /nfs/dbraw/zinc/51/25/70/1435512570.db2.gz RSOGVQMMOLMDAJ-JOCHJYFZSA-N 1 0 393.535 3.193 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)n1 ZINC000279555276 1435512784 /nfs/dbraw/zinc/51/27/84/1435512784.db2.gz RSOGVQMMOLMDAJ-QFIPXVFZSA-N 1 0 393.535 3.193 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000279578385 1435514853 /nfs/dbraw/zinc/51/48/53/1435514853.db2.gz UIENTBOYOVPGRQ-GOSISDBHSA-N 1 0 399.564 3.022 20 30 GGEDRO C#CCn1ccc(CN(CC)C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000279696139 1435530648 /nfs/dbraw/zinc/53/06/48/1435530648.db2.gz IFLMQNBIQLODGW-OXJNMPFZSA-N 1 0 375.900 3.130 20 30 GGEDRO C#CCn1ccc(CN(CC)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000279696138 1435530828 /nfs/dbraw/zinc/53/08/28/1435530828.db2.gz IFLMQNBIQLODGW-JXFKEZNVSA-N 1 0 375.900 3.130 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCCC[C@@H]2C[C@H](C)O)c1C#N ZINC000279742117 1435537152 /nfs/dbraw/zinc/53/71/52/1435537152.db2.gz KQCZIGCPLHTVFZ-MAUKXSAKSA-N 1 0 398.507 3.182 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000279781273 1435542107 /nfs/dbraw/zinc/54/21/07/1435542107.db2.gz FOHHEUBZFLNSQL-UNMCSNQZSA-N 1 0 391.515 3.101 20 30 GGEDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000279924991 1435564514 /nfs/dbraw/zinc/56/45/14/1435564514.db2.gz XQSNMQVVIGEMTB-JOCHJYFZSA-N 1 0 377.488 3.485 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)cc1OC ZINC000279969329 1435570872 /nfs/dbraw/zinc/57/08/72/1435570872.db2.gz YUGRNMGCRSBDMA-UHFFFAOYSA-N 1 0 384.480 3.366 20 30 GGEDRO CN(C)[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000279988704 1435573014 /nfs/dbraw/zinc/57/30/14/1435573014.db2.gz OQVKFAYLBBYULT-YLJYHZDGSA-N 1 0 380.879 3.313 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000279996006 1435574119 /nfs/dbraw/zinc/57/41/19/1435574119.db2.gz CZENANGNGNNIDF-UHFFFAOYSA-N 1 0 391.515 3.374 20 30 GGEDRO C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000280037323 1435580857 /nfs/dbraw/zinc/58/08/57/1435580857.db2.gz LITALOPBRYCULQ-HXUWFJFHSA-N 1 0 375.538 3.454 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@](C)(O)CC3)sc2C1 ZINC000280086653 1435589880 /nfs/dbraw/zinc/58/98/80/1435589880.db2.gz OFAIAVIBTXDTTN-VBKZILBWSA-N 1 0 375.538 3.310 20 30 GGEDRO CC(C)N1CCc2nc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)sc2C1 ZINC000280119878 1435595178 /nfs/dbraw/zinc/59/51/78/1435595178.db2.gz UMKQXVIGOIWITI-INIZCTEOSA-N 1 0 379.489 3.102 20 30 GGEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)COc2ccccc2C#N)CC1 ZINC000280122069 1435595677 /nfs/dbraw/zinc/59/56/77/1435595677.db2.gz UPFISSHEFFJZPZ-UHFFFAOYSA-N 1 0 392.503 3.354 20 30 GGEDRO C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280158659 1435601247 /nfs/dbraw/zinc/60/12/47/1435601247.db2.gz RXTCQKPQGSDEQP-OFAXGOBFSA-N 1 0 386.499 3.267 20 30 GGEDRO C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280158655 1435601428 /nfs/dbraw/zinc/60/14/28/1435601428.db2.gz RXTCQKPQGSDEQP-NMNUPHIUSA-N 1 0 386.499 3.267 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000280171905 1435603592 /nfs/dbraw/zinc/60/35/92/1435603592.db2.gz SNYSYFUTJZSEGB-LEOXJPRUSA-N 1 0 386.499 3.410 20 30 GGEDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000280183602 1435604691 /nfs/dbraw/zinc/60/46/91/1435604691.db2.gz TTZMQHKRJDUCJN-ITAUSPCMSA-N 1 0 378.520 3.400 20 30 GGEDRO CC1CC[NH+](C2CCC(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000280183599 1435604756 /nfs/dbraw/zinc/60/47/56/1435604756.db2.gz TTZMQHKRJDUCJN-HWELCPFYSA-N 1 0 378.520 3.400 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000280181463 1435604813 /nfs/dbraw/zinc/60/48/13/1435604813.db2.gz AFDVOGAKGFFXAQ-GOSISDBHSA-N 1 0 399.988 3.329 20 30 GGEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc21 ZINC000280275311 1435624107 /nfs/dbraw/zinc/62/41/07/1435624107.db2.gz DFRCRJFQEKGPDW-FQEVSTJZSA-N 1 0 385.471 3.396 20 30 GGEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000280332939 1435637552 /nfs/dbraw/zinc/63/75/52/1435637552.db2.gz AROAEIADGDSCIM-UHFFFAOYSA-N 1 0 382.895 3.010 20 30 GGEDRO C[C@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000280381550 1435649586 /nfs/dbraw/zinc/64/95/86/1435649586.db2.gz MRMZGZAVLVJACA-WMZHIEFXSA-N 1 0 386.499 3.364 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000280398831 1435653299 /nfs/dbraw/zinc/65/32/99/1435653299.db2.gz XMQCHSRFUAEGHU-NRFANRHFSA-N 1 0 377.488 3.119 20 30 GGEDRO Cc1ccc(CN2CCOCC2)cc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280445859 1435662261 /nfs/dbraw/zinc/66/22/61/1435662261.db2.gz NIHBGQDUGBUEIQ-OAQYLSRUSA-N 1 0 388.471 3.020 20 30 GGEDRO CCCc1ccc(C(=O)C(C(=S)NC[C@H]2CCOC2)[n+]2ccccc2)cc1 ZINC000280545179 1435677167 /nfs/dbraw/zinc/67/71/67/1435677167.db2.gz IMZRZOCJRODJHD-GOSISDBHSA-O 1 0 383.537 3.492 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000280554731 1435678891 /nfs/dbraw/zinc/67/88/91/1435678891.db2.gz IZDGJESWLOBXPF-SFHVURJKSA-N 1 0 376.451 3.211 20 30 GGEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000280671010 1435700835 /nfs/dbraw/zinc/70/08/35/1435700835.db2.gz PWSRPILODNRACT-GHTZIAJQSA-N 1 0 386.540 3.240 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000280671022 1435700868 /nfs/dbraw/zinc/70/08/68/1435700868.db2.gz PWSRPILODNRACT-RXVVDRJESA-N 1 0 386.540 3.240 20 30 GGEDRO N#Cc1c(C#N)c2c(nc1NC1CC[NH+](C[C@@H]3CCOC3)CC1)CCCCCC2 ZINC000280800334 1435723043 /nfs/dbraw/zinc/72/30/43/1435723043.db2.gz VRPPJZZNEDJAES-KRWDZBQOSA-N 1 0 393.535 3.397 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000280806078 1435723767 /nfs/dbraw/zinc/72/37/67/1435723767.db2.gz SXRVJFQNYSRNNH-XIKOKIGWSA-N 1 0 386.395 3.318 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000280854742 1435730939 /nfs/dbraw/zinc/73/09/39/1435730939.db2.gz AZGBFRYGSAJJFP-KXBFYZLASA-N 1 0 381.467 3.019 20 30 GGEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000280861247 1435732309 /nfs/dbraw/zinc/73/23/09/1435732309.db2.gz QMYOKFGODHTKTJ-RTBURBONSA-N 1 0 378.501 3.255 20 30 GGEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)C1=O ZINC000280900616 1435738813 /nfs/dbraw/zinc/73/88/13/1435738813.db2.gz BNPLZDAIZDDSDA-HRAATJIYSA-N 1 0 395.478 3.444 20 30 GGEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)C1=O ZINC000280900629 1435738834 /nfs/dbraw/zinc/73/88/34/1435738834.db2.gz BNPLZDAIZDDSDA-KKSFZXQISA-N 1 0 395.478 3.444 20 30 GGEDRO C[C@H](CN1CCOCC1)[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281135191 1435782083 /nfs/dbraw/zinc/78/20/83/1435782083.db2.gz ACYXCOBHTUXSGY-OAQYLSRUSA-N 1 0 385.552 3.310 20 30 GGEDRO CN(C(=O)[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1)c1ccccc1 ZINC000281150963 1435784987 /nfs/dbraw/zinc/78/49/87/1435784987.db2.gz PIBJFHQUDVUSML-FQEVSTJZSA-N 1 0 399.498 3.444 20 30 GGEDRO N#Cc1cccc(-n2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)n2)c1 ZINC000281164237 1435787588 /nfs/dbraw/zinc/78/75/88/1435787588.db2.gz HHNUWWDOZFOGPB-UHFFFAOYSA-N 1 0 385.471 3.092 20 30 GGEDRO Cc1ccc([C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000281410018 1435807832 /nfs/dbraw/zinc/80/78/32/1435807832.db2.gz RCAGFRNWRZYELS-PKOBYXMFSA-N 1 0 378.538 3.159 20 30 GGEDRO NC(=NOCc1cnc2ccccc2c1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000281414577 1435808052 /nfs/dbraw/zinc/80/80/52/1435808052.db2.gz RJIFWKJECYAEPI-UHFFFAOYSA-N 1 0 390.487 3.029 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000281473275 1435810358 /nfs/dbraw/zinc/81/03/58/1435810358.db2.gz HLIDPSDPKWGAMW-JBACZVJFSA-N 1 0 386.540 3.059 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000281473272 1435810363 /nfs/dbraw/zinc/81/03/63/1435810363.db2.gz HLIDPSDPKWGAMW-GIVPXCGWSA-N 1 0 386.540 3.059 20 30 GGEDRO C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281504662 1435811697 /nfs/dbraw/zinc/81/16/97/1435811697.db2.gz WYPXKOUJYBWMMH-FUHWJXTLSA-N 1 0 377.492 3.127 20 30 GGEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C2)CC1 ZINC000281543319 1435812919 /nfs/dbraw/zinc/81/29/19/1435812919.db2.gz ITAMCQUELLBMHV-HXUWFJFHSA-N 1 0 391.519 3.328 20 30 GGEDRO COc1cc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)ccc1C#N ZINC000281657289 1435817333 /nfs/dbraw/zinc/81/73/33/1435817333.db2.gz KLLNQOZYTNBRPS-IAGOWNOFSA-N 1 0 393.487 3.106 20 30 GGEDRO COc1cc(C[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)ccc1C#N ZINC000281718005 1435819412 /nfs/dbraw/zinc/81/94/12/1435819412.db2.gz PBFJOYMBBJHJQU-OAHLLOKOSA-N 1 0 379.460 3.075 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCC23CCOCC3)c(OC)c1 ZINC000281952679 1435828249 /nfs/dbraw/zinc/82/82/49/1435828249.db2.gz FPXASAHDERKEEU-GHTZIAJQSA-N 1 0 375.509 3.102 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCC23CCOCC3)c(OC)c1 ZINC000281952685 1435828294 /nfs/dbraw/zinc/82/82/94/1435828294.db2.gz FPXASAHDERKEEU-RXVVDRJESA-N 1 0 375.509 3.102 20 30 GGEDRO N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)n2)c1 ZINC000282012480 1435830971 /nfs/dbraw/zinc/83/09/71/1435830971.db2.gz XACJLGFWMSKSAB-FQEVSTJZSA-N 1 0 383.455 3.369 20 30 GGEDRO N#CC1(CCC[NH+]2CCC(C(=O)NCCc3cccs3)CC2)CCOCC1 ZINC000282101203 1435834642 /nfs/dbraw/zinc/83/46/42/1435834642.db2.gz WAHWTDDRFJIIGF-UHFFFAOYSA-N 1 0 389.565 3.219 20 30 GGEDRO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000282106266 1435834810 /nfs/dbraw/zinc/83/48/10/1435834810.db2.gz PQNFSPHOCRIPOD-JTDSTZFVSA-N 1 0 384.524 3.134 20 30 GGEDRO C=CCn1c(C2CCC2)nnc1N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000282137773 1435836056 /nfs/dbraw/zinc/83/60/56/1435836056.db2.gz BGEMIFPIGMTVRQ-UHFFFAOYSA-N 1 0 383.544 3.005 20 30 GGEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000282172255 1435837249 /nfs/dbraw/zinc/83/72/49/1435837249.db2.gz DUPURFDNUNJYPH-CTNGQTDRSA-N 1 0 388.519 3.456 20 30 GGEDRO C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000282245532 1435839943 /nfs/dbraw/zinc/83/99/43/1435839943.db2.gz KJDPEEUAFLHEBS-PXNSSMCTSA-N 1 0 397.523 3.145 20 30 GGEDRO C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000282245527 1435839992 /nfs/dbraw/zinc/83/99/92/1435839992.db2.gz KJDPEEUAFLHEBS-FXAWDEMLSA-N 1 0 397.523 3.145 20 30 GGEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000282304830 1435842427 /nfs/dbraw/zinc/84/24/27/1435842427.db2.gz PALSLIUMWKCOKL-GOSISDBHSA-N 1 0 381.524 3.452 20 30 GGEDRO C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000282523436 1435850143 /nfs/dbraw/zinc/85/01/43/1435850143.db2.gz GRIDVBHFAUBNEW-UHFFFAOYSA-N 1 0 387.915 3.086 20 30 GGEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000282539798 1435850789 /nfs/dbraw/zinc/85/07/89/1435850789.db2.gz HYSDCOWXRXIVFR-LJQANCHMSA-N 1 0 383.540 3.254 20 30 GGEDRO N#Cc1cccc(-n2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)n2)c1 ZINC000282604894 1435853463 /nfs/dbraw/zinc/85/34/63/1435853463.db2.gz MQEMQOQAYYRMDM-UHFFFAOYSA-N 1 0 377.492 3.271 20 30 GGEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000282620777 1435853996 /nfs/dbraw/zinc/85/39/96/1435853996.db2.gz OFKCCUWYOMAFBU-LJQANCHMSA-N 1 0 376.508 3.315 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc(OC)cc2OC)[C@H](C)C2CC2)CC1 ZINC000282697168 1435856766 /nfs/dbraw/zinc/85/67/66/1435856766.db2.gz JANFRQKQUVQKBR-QGZVFWFLSA-N 1 0 384.520 3.176 20 30 GGEDRO Cc1cc(Cl)nc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000282742064 1435858628 /nfs/dbraw/zinc/85/86/28/1435858628.db2.gz FNVTXASWRVMCTO-UHFFFAOYSA-N 1 0 397.910 3.333 20 30 GGEDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000282761127 1435859428 /nfs/dbraw/zinc/85/94/28/1435859428.db2.gz GZTFHWLZZOXMMB-UHFFFAOYSA-N 1 0 389.443 3.070 20 30 GGEDRO CC[NH+]1CCN([C@H]2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)C2)CC1 ZINC000282879549 1435864340 /nfs/dbraw/zinc/86/43/40/1435864340.db2.gz QYWWLHNQTRIWJE-KRWDZBQOSA-N 1 0 383.927 3.285 20 30 GGEDRO N#Cc1cccc(-n2ccc(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)n2)c1 ZINC000282902205 1435865413 /nfs/dbraw/zinc/86/54/13/1435865413.db2.gz WULGUYWFMHTHGT-UHFFFAOYSA-N 1 0 391.519 3.472 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000282923809 1435866321 /nfs/dbraw/zinc/86/63/21/1435866321.db2.gz HNTYMOZXKBROKR-FQEVSTJZSA-N 1 0 377.492 3.432 20 30 GGEDRO C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283009243 1435870076 /nfs/dbraw/zinc/87/00/76/1435870076.db2.gz RSRVEHRUHCMBPQ-HXUWFJFHSA-N 1 0 397.523 3.334 20 30 GGEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283009242 1435870128 /nfs/dbraw/zinc/87/01/28/1435870128.db2.gz RSRVEHRUHCMBPQ-FQEVSTJZSA-N 1 0 397.523 3.334 20 30 GGEDRO C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000283375318 1435886723 /nfs/dbraw/zinc/88/67/23/1435886723.db2.gz CSKSSBBVAXTPGG-FXAWDEMLSA-N 1 0 395.507 3.041 20 30 GGEDRO C#Cc1cc(F)c(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(F)c1 ZINC000283444486 1435890196 /nfs/dbraw/zinc/89/01/96/1435890196.db2.gz ZBEGMVTWXKUPKJ-UHFFFAOYSA-N 1 0 397.425 3.162 20 30 GGEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000283794820 1435925373 /nfs/dbraw/zinc/92/53/73/1435925373.db2.gz UQCKEFVZHCYVFT-URVUXULASA-N 1 0 387.487 3.107 20 30 GGEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000283966758 1435963650 /nfs/dbraw/zinc/96/36/50/1435963650.db2.gz HMYLSGULHKRCBC-UHFFFAOYSA-N 1 0 383.536 3.115 20 30 GGEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2)CC1 ZINC000283977019 1435965334 /nfs/dbraw/zinc/96/53/34/1435965334.db2.gz NXZJCQQPACVAGU-UHFFFAOYSA-N 1 0 395.438 3.165 20 30 GGEDRO CCCc1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc(CO)c2)cc1 ZINC000284045253 1435979844 /nfs/dbraw/zinc/97/98/44/1435979844.db2.gz JAQZRBAKHXMFIX-UHFFFAOYSA-O 1 0 383.537 3.500 20 30 GGEDRO CN(C)c1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)NC2(C)CC2)cc1 ZINC000284072705 1435985662 /nfs/dbraw/zinc/98/56/62/1435985662.db2.gz KDRSOEDILQVPRJ-UHFFFAOYSA-O 1 0 396.536 3.151 20 30 GGEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000284151024 1435999709 /nfs/dbraw/zinc/99/97/09/1435999709.db2.gz WOHIWGYXTLJXFJ-ICSRJNTNSA-N 1 0 376.508 3.290 20 30 GGEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1Cl ZINC000284281702 1436009724 /nfs/dbraw/zinc/00/97/24/1436009724.db2.gz JVSNQGUIOBGPIM-UNQMGURYSA-N 1 0 377.872 3.304 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000284319659 1436012891 /nfs/dbraw/zinc/01/28/91/1436012891.db2.gz JHLMSEZPBSUQTF-CYBMUJFWSA-N 1 0 398.334 3.327 20 30 GGEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)/C=C/c3ccccc3C#N)cc2)CC1 ZINC000284622895 1436035279 /nfs/dbraw/zinc/03/52/79/1436035279.db2.gz UTOVBHKAUKOCDW-DHZHZOJOSA-N 1 0 375.472 3.361 20 30 GGEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C(=O)OC)cc1)C(=S)NC1(C)CC1 ZINC000284627841 1436035465 /nfs/dbraw/zinc/03/54/65/1436035465.db2.gz ZZXPKWSHIZKKKR-UHFFFAOYSA-O 1 0 397.520 3.404 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000284647077 1436037109 /nfs/dbraw/zinc/03/71/09/1436037109.db2.gz DYMCEYIJJJTGHQ-CABCVRRESA-N 1 0 385.489 3.030 20 30 GGEDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000284679744 1436039739 /nfs/dbraw/zinc/03/97/39/1436039739.db2.gz RBBDPHKAYNSGNC-GMAHTHKFSA-N 1 0 393.535 3.420 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000284739408 1436044923 /nfs/dbraw/zinc/04/49/23/1436044923.db2.gz KSOXBWRPYSUKEB-GJZGRUSLSA-N 1 0 385.489 3.030 20 30 GGEDRO C[C@@H]([NH2+]CCC[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000824590280 1442016571 /nfs/dbraw/zinc/01/65/71/1442016571.db2.gz AYRANGDILKTCTI-HZPDHXFCSA-N 1 0 375.480 3.130 20 30 GGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC(F)(C[NH3+])CC3)c(Cl)nn2)c1 ZINC001164389363 718813800 /nfs/dbraw/zinc/81/38/00/718813800.db2.gz VKRWGLOCHCXKJQ-UHFFFAOYSA-N 1 0 395.816 3.481 20 30 GGEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCOCC34C[NH2+]C4)cc2c1Cl ZINC001164402625 718861013 /nfs/dbraw/zinc/86/10/13/718861013.db2.gz JTIUEHKHGNKTHL-UHFFFAOYSA-N 1 0 399.228 3.137 20 30 GGEDRO COc1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c(C#N)c(Cl)n1 ZINC001164423692 718943497 /nfs/dbraw/zinc/94/34/97/718943497.db2.gz JPSLDOIRHMFKNH-ZBFHGGJFSA-N 1 0 390.821 3.236 20 30 GGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@@H]43)c(Cl)nn2)cc1 ZINC001164448906 719002946 /nfs/dbraw/zinc/00/29/46/719002946.db2.gz JVFLLSKDPOAYMS-HOCLYGCPSA-N 1 0 375.810 3.154 20 30 GGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@H]43)c(Cl)nn2)cc1 ZINC001164448905 719003063 /nfs/dbraw/zinc/00/30/63/719003063.db2.gz JVFLLSKDPOAYMS-GOEBONIOSA-N 1 0 375.810 3.154 20 30 GGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)c(C#N)cc3Cl)CC2)CC1 ZINC001164617139 719035219 /nfs/dbraw/zinc/03/52/19/719035219.db2.gz HNNHCIYHQXMOTC-UHFFFAOYSA-N 1 0 390.915 3.159 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc(C#N)cc31)C2 ZINC001164809119 720102741 /nfs/dbraw/zinc/10/27/41/720102741.db2.gz HCFKXZAJRQJZLY-OFNKIYASSA-N 1 0 376.504 3.291 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(Cl)cc1C#N)C2 ZINC001164815470 720116304 /nfs/dbraw/zinc/11/63/04/720116304.db2.gz VUVBELMNAJRNDJ-KXBFYZLASA-N 1 0 395.334 3.445 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(Cl)cc1C#N)C2 ZINC001164815464 720116370 /nfs/dbraw/zinc/11/63/70/720116370.db2.gz VUVBELMNAJRNDJ-BEFAXECRSA-N 1 0 395.334 3.445 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C#C[Si](C)(C)C)C2 ZINC001164814979 720139137 /nfs/dbraw/zinc/13/91/37/720139137.db2.gz UXEFYJJZNRRREQ-GMAHTHKFSA-N 1 0 397.639 3.495 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncccc1C#C[Si](C)(C)C)C2 ZINC001164814978 720140328 /nfs/dbraw/zinc/14/03/28/720140328.db2.gz UXEFYJJZNRRREQ-GGAORHGYSA-N 1 0 397.639 3.495 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001164819547 720166112 /nfs/dbraw/zinc/16/61/12/720166112.db2.gz XSUOITGAQGSHGH-REWPJTCUSA-N 1 0 380.536 3.017 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(Cl)c1C#N)C2 ZINC001164812121 720195306 /nfs/dbraw/zinc/19/53/06/720195306.db2.gz KUJOTVRMXQIJIZ-LIRRHRJNSA-N 1 0 395.334 3.445 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C#C[Si](C)(C)C)ccn1)C2 ZINC001164813316 720196149 /nfs/dbraw/zinc/19/61/49/720196149.db2.gz OIQRVJKWMASVCG-GGAORHGYSA-N 1 0 397.639 3.495 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C#C[Si](C)(C)C)ccn1)C2 ZINC001164813319 720197131 /nfs/dbraw/zinc/19/71/31/720197131.db2.gz OIQRVJKWMASVCG-GMAHTHKFSA-N 1 0 397.639 3.495 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C#N)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832876 720504701 /nfs/dbraw/zinc/50/47/01/720504701.db2.gz BQTXLAZITIKLBA-OKZBNKHCSA-N 1 0 384.915 3.181 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C#N ZINC001164837245 720511791 /nfs/dbraw/zinc/51/17/91/720511791.db2.gz OQZSFQIPLXEQHF-YQVWRLOYSA-N 1 0 398.942 3.489 20 30 GGEDRO Cc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C ZINC001164836758 720532286 /nfs/dbraw/zinc/53/22/86/720532286.db2.gz KVGPIXYJNMWJGM-PWRODBHTSA-N 1 0 378.524 3.144 20 30 GGEDRO Cc1ccc2nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c(C#N)c(Cl)c2c1 ZINC001164733542 720536725 /nfs/dbraw/zinc/53/67/25/720536725.db2.gz CSQYEOCTXVJUNU-HNNXBMFYSA-N 1 0 394.910 3.463 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c(C#N)c[nH]c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840760 720555586 /nfs/dbraw/zinc/55/55/86/720555586.db2.gz SRQHHVAXYXFLPX-XKGZKEIXSA-N 1 0 389.507 3.009 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(Cl)cc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835942 720579098 /nfs/dbraw/zinc/57/90/98/720579098.db2.gz CXTSASFMHOQLGO-YTQUADARSA-N 1 0 384.915 3.181 20 30 GGEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1CC#N ZINC001164836185 720616621 /nfs/dbraw/zinc/61/66/21/720616621.db2.gz FDDYOXCCYPIMTR-PWRODBHTSA-N 1 0 378.524 3.030 20 30 GGEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1CC#N ZINC001164836186 720617060 /nfs/dbraw/zinc/61/70/60/720617060.db2.gz FDDYOXCCYPIMTR-QHAWAJNXSA-N 1 0 378.524 3.030 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc(CC#N)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837213 720630034 /nfs/dbraw/zinc/63/00/34/720630034.db2.gz HPCOQAANDIMSPM-WSTZPKSXSA-N 1 0 398.942 3.375 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164843610 720673279 /nfs/dbraw/zinc/67/32/79/720673279.db2.gz WISLRNUPHCIZFN-GOSISDBHSA-N 1 0 397.910 3.262 20 30 GGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(C#N)cc1C#N)[C@H]2C ZINC001164856206 720957654 /nfs/dbraw/zinc/95/76/54/720957654.db2.gz CRSZHKPCHVOZGX-ZDUSSCGKSA-N 1 0 383.887 3.096 20 30 GGEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164868159 721049813 /nfs/dbraw/zinc/04/98/13/721049813.db2.gz NJCYJVSTWUPHLB-MSOLQXFVSA-N 1 0 397.910 3.098 20 30 GGEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164868161 721049897 /nfs/dbraw/zinc/04/98/97/721049897.db2.gz NJCYJVSTWUPHLB-ROUUACIJSA-N 1 0 397.910 3.098 20 30 GGEDRO CCCc1cc(C#N)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164762838 721152061 /nfs/dbraw/zinc/15/20/61/721152061.db2.gz DUYOCSATNWNBKU-PKOBYXMFSA-N 1 0 398.942 3.251 20 30 GGEDRO N#Cc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900517 721509909 /nfs/dbraw/zinc/50/99/09/721509909.db2.gz RRAGQBXDDHJIAB-HOCLYGCPSA-N 1 0 390.821 3.227 20 30 GGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc(C#N)cc32)[C@@H]2CCCO[C@H]12 ZINC001164807791 721547204 /nfs/dbraw/zinc/54/72/04/721547204.db2.gz RHMALZIDQCKCRM-ZLNRFVROSA-N 1 0 399.498 3.370 20 30 GGEDRO N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164903110 721553620 /nfs/dbraw/zinc/55/36/20/721553620.db2.gz AMDBBXHRJTZRIA-PZJWPPBQSA-N 1 0 392.478 3.313 20 30 GGEDRO N#Cc1c2c(cnc1N1CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164911322 721567428 /nfs/dbraw/zinc/56/74/28/721567428.db2.gz YXQAHKWOGRSFOB-ICSRJNTNSA-N 1 0 392.478 3.313 20 30 GGEDRO Cc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164905525 721586823 /nfs/dbraw/zinc/58/68/23/721586823.db2.gz JQXVGXFOAWSEKY-HXUWFJFHSA-N 1 0 383.446 3.394 20 30 GGEDRO N#Cc1cc(F)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906916 721691585 /nfs/dbraw/zinc/69/15/85/721691585.db2.gz PGWLNKRBWWHOOT-LJQANCHMSA-N 1 0 387.409 3.225 20 30 GGEDRO COc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164906103 721697786 /nfs/dbraw/zinc/69/77/86/721697786.db2.gz LENLUSOJERLXIY-HXUWFJFHSA-N 1 0 399.445 3.095 20 30 GGEDRO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1C#N ZINC001164905483 721699378 /nfs/dbraw/zinc/69/93/78/721699378.db2.gz JNMZHPUQYKMLSS-HXUWFJFHSA-N 1 0 383.446 3.394 20 30 GGEDRO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1C#N ZINC001164906944 721713667 /nfs/dbraw/zinc/71/36/67/721713667.db2.gz PBSAILQYPYHKCH-FQEVSTJZSA-N 1 0 383.446 3.394 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3C#N)C[C@@H]21 ZINC001165025497 721805485 /nfs/dbraw/zinc/80/54/85/721805485.db2.gz OQQALVAIDCERAF-FHLIZLRMSA-N 1 0 382.899 3.134 20 30 GGEDRO C=CCOc1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025157 721813293 /nfs/dbraw/zinc/81/32/93/721813293.db2.gz LNDQTYYOVOCKPZ-JBACZVJFSA-N 1 0 393.535 3.482 20 30 GGEDRO COc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(F)cc1C#N ZINC001165023120 721822334 /nfs/dbraw/zinc/82/23/34/721822334.db2.gz HLZKZYAKKJGTQT-ZAAXVRCTSA-N 1 0 395.482 3.233 20 30 GGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(F)c2C#N)CC1 ZINC001165020315 721842109 /nfs/dbraw/zinc/84/21/09/721842109.db2.gz CBWXSOCADSINGF-UHFFFAOYSA-N 1 0 384.455 3.210 20 30 GGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C#N)cc(C)n2)CC1 ZINC001165031241 721844879 /nfs/dbraw/zinc/84/48/79/721844879.db2.gz ZJHHGIYIZKUGRK-UHFFFAOYSA-N 1 0 380.492 3.380 20 30 GGEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932340 721889862 /nfs/dbraw/zinc/88/98/62/721889862.db2.gz IVPOVJPNVOTQEZ-ROUUACIJSA-N 1 0 387.890 3.114 20 30 GGEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932341 721890060 /nfs/dbraw/zinc/89/00/60/721890060.db2.gz IVPOVJPNVOTQEZ-ZWKOTPCHSA-N 1 0 387.890 3.114 20 30 GGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c12 ZINC001164935699 721891021 /nfs/dbraw/zinc/89/10/21/721891021.db2.gz WTJZYWDFJMYLBI-MSOLQXFVSA-N 1 0 383.927 3.283 20 30 GGEDRO N#CCc1ccc(OCc2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc2)cc1 ZINC001165042399 721919554 /nfs/dbraw/zinc/91/95/54/721919554.db2.gz CZWHXJDTFKGEED-JOCHJYFZSA-N 1 0 392.503 3.028 20 30 GGEDRO C[NH+](C)CC1CCN(C(F)(F)c2nc(Cl)c(C#N)c(C(F)(F)F)n2)CC1 ZINC001165043104 721951215 /nfs/dbraw/zinc/95/12/15/721951215.db2.gz ZTVBQTMMJWDXID-UHFFFAOYSA-N 1 0 397.779 3.343 20 30 GGEDRO N#Cc1c(Cl)ccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958904 722054098 /nfs/dbraw/zinc/05/40/98/722054098.db2.gz HRJORXJTGPOCIR-UHFFFAOYSA-N 1 0 397.910 3.121 20 30 GGEDRO N#Cc1cc(Cl)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964841 722054838 /nfs/dbraw/zinc/05/48/38/722054838.db2.gz YLLRFALPGHSFGT-UHFFFAOYSA-N 1 0 397.910 3.121 20 30 GGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164968080 722078070 /nfs/dbraw/zinc/07/80/70/722078070.db2.gz PJVLIIOLCWRSET-IYBDPMFKSA-N 1 0 382.895 3.368 20 30 GGEDRO Cc1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164979899 722102073 /nfs/dbraw/zinc/10/20/73/722102073.db2.gz IFZBYZGVKNUABA-IEBWSBKVSA-N 1 0 397.910 3.037 20 30 GGEDRO N#Cc1ccc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973860 722110983 /nfs/dbraw/zinc/11/09/83/722110983.db2.gz HNLFECKAVAJTMM-GMAHTHKFSA-N 1 0 399.498 3.229 20 30 GGEDRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)cc1C#N ZINC001164971110 722155614 /nfs/dbraw/zinc/15/56/14/722155614.db2.gz AQTVUQRVBQOHEE-XLIONFOSSA-N 1 0 397.910 3.037 20 30 GGEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743523 945279743 /nfs/dbraw/zinc/27/97/43/945279743.db2.gz LBXQHHRKIOHQRZ-UHFFFAOYSA-N 1 0 394.454 3.331 20 30 GGEDRO C#CC[C@@H]([NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000823839026 946491685 /nfs/dbraw/zinc/49/16/85/946491685.db2.gz YTSFRVIEIIMOHZ-JOCHJYFZSA-N 1 0 386.503 3.185 20 30 GGEDRO C=CC[C@H]1[N@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCCC1(C)C ZINC001573329691 947424739 /nfs/dbraw/zinc/42/47/39/947424739.db2.gz NMBYTUAYLVEXCY-RBUKOAKNSA-N 1 0 394.523 3.429 20 30 GGEDRO C=CC[C@@H]1[N@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCCC1(C)C ZINC001573329688 947425794 /nfs/dbraw/zinc/42/57/94/947425794.db2.gz NMBYTUAYLVEXCY-OALUTQOASA-N 1 0 394.523 3.429 20 30 GGEDRO C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598472824 992054849 /nfs/dbraw/zinc/05/48/49/992054849.db2.gz UOHLOJRHLHYYMS-NRFANRHFSA-N 1 0 378.476 3.317 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000276598009 1126077894 /nfs/dbraw/zinc/07/78/94/1126077894.db2.gz BIFRHUZFDKTSCD-NRFANRHFSA-N 1 0 378.451 3.296 20 30 GGEDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1C ZINC000453633911 1126093423 /nfs/dbraw/zinc/09/34/23/1126093423.db2.gz QXONJPMLPQHNSV-JOCHJYFZSA-N 1 0 389.503 3.169 20 30 GGEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC001177829682 1126150785 /nfs/dbraw/zinc/15/07/85/1126150785.db2.gz OREHTWMGMVJGJD-MRXNPFEDSA-N 1 0 384.277 3.495 20 30 GGEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(C#N)ccc2Br)cc1 ZINC001198218928 1126154860 /nfs/dbraw/zinc/15/48/60/1126154860.db2.gz LHZCQTDGKLQUOA-LJQANCHMSA-N 1 0 389.293 3.413 20 30 GGEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C#N)cc2Br)cc1 ZINC001620624544 1126241899 /nfs/dbraw/zinc/24/18/99/1126241899.db2.gz ZJSDZKRRCXQKQV-IBGZPJMESA-N 1 0 389.293 3.413 20 30 GGEDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(C#N)ccc1Br ZINC001620536916 1126240863 /nfs/dbraw/zinc/24/08/63/1126240863.db2.gz HQCOHSYAWBZGMP-IBGZPJMESA-N 1 0 389.293 3.413 20 30 GGEDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(Br)cc1C#N ZINC001644309139 1126247233 /nfs/dbraw/zinc/24/72/33/1126247233.db2.gz WKKZGEMEQSRXJB-IBGZPJMESA-N 1 0 389.293 3.413 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)c(Cl)cc2OC)c1C#N ZINC000534791556 532672587 /nfs/dbraw/zinc/67/25/87/532672587.db2.gz JUYAKGMYOITCRZ-UHFFFAOYSA-N 1 0 382.251 3.001 20 30 GGEDRO C=CCNC(=O)[C@H](C)Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 ZINC000016927703 212099385 /nfs/dbraw/zinc/09/93/85/212099385.db2.gz PUFHTIYGAZNXMA-STQMWFEESA-N 1 0 393.944 3.326 20 30 GGEDRO C=CCNC(=O)[C@H](C)Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 ZINC000016927695 212100578 /nfs/dbraw/zinc/10/05/78/212100578.db2.gz PUFHTIYGAZNXMA-OLZOCXBDSA-N 1 0 393.944 3.326 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@H]2CCOC2)c1C#N ZINC000079020427 222299664 /nfs/dbraw/zinc/29/96/64/222299664.db2.gz FDVOUGZHIWEEHM-MRXNPFEDSA-N 1 0 384.455 3.012 20 30 GGEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000095466196 518774807 /nfs/dbraw/zinc/77/48/07/518774807.db2.gz KIRPWLLOXZDOJX-UHFFFAOYSA-N 1 0 395.385 3.366 20 30 GGEDRO O=C(CCSc1ccc(Br)cc1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000328592089 534765587 /nfs/dbraw/zinc/76/55/87/534765587.db2.gz YLDQYYHVIGQWDV-QGZVFWFLSA-N 1 0 399.354 3.345 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000115844436 564199440 /nfs/dbraw/zinc/19/94/40/564199440.db2.gz JPPBHHNZCLFSMT-IIAWOOMASA-N 1 0 381.929 3.238 20 30 GGEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1Br ZINC000007879425 564242557 /nfs/dbraw/zinc/24/25/57/564242557.db2.gz RIGAVFXREXVDTC-SJCJKPOMSA-N 1 0 382.302 3.163 20 30 GGEDRO C=CCOc1c(Br)cc(CN(C)CC(=O)NC(C)C)cc1OCC ZINC000120251710 564312165 /nfs/dbraw/zinc/31/21/65/564312165.db2.gz RGZYWNWIFTUNNA-UHFFFAOYSA-N 1 0 399.329 3.369 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000023410341 564324160 /nfs/dbraw/zinc/32/41/60/564324160.db2.gz XUKRKNINYBKRPS-CXAGYDPISA-N 1 0 375.266 3.411 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)cc1Cl ZINC000121401058 564367953 /nfs/dbraw/zinc/36/79/53/564367953.db2.gz QURJEITWEMLNCV-UHFFFAOYSA-N 1 0 382.693 3.344 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1cccc(CO)c1 ZINC000121836557 564388871 /nfs/dbraw/zinc/38/88/71/564388871.db2.gz SZKLYAUZILSGTE-UHFFFAOYSA-O 1 0 377.917 3.448 20 30 GGEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000124428848 564481230 /nfs/dbraw/zinc/48/12/30/564481230.db2.gz KFVKCCCKIJBPHS-UHFFFAOYSA-N 1 0 381.929 3.287 20 30 GGEDRO C=CCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000125015217 564500762 /nfs/dbraw/zinc/50/07/62/564500762.db2.gz SOIWYMXXBZFADT-QGZVFWFLSA-N 1 0 381.314 3.427 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCn2cccn2)cc1OC ZINC000125289218 564509440 /nfs/dbraw/zinc/50/94/40/564509440.db2.gz LDEZSMZXROHNMS-UHFFFAOYSA-N 1 0 380.286 3.351 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c(F)c1 ZINC000125480933 564515681 /nfs/dbraw/zinc/51/56/81/564515681.db2.gz RDNORLXAWZUHLI-UHFFFAOYSA-N 1 0 376.800 3.337 20 30 GGEDRO C[N@H+](CCOc1ccc(C#N)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000125536110 564517469 /nfs/dbraw/zinc/51/74/69/564517469.db2.gz BVUPIWBIUODWBV-GOSISDBHSA-N 1 0 375.266 3.365 20 30 GGEDRO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125633287 564520961 /nfs/dbraw/zinc/52/09/61/564520961.db2.gz CACYBNGJPKRMFQ-ROUUACIJSA-N 1 0 375.266 3.020 20 30 GGEDRO C[C@@H](Cc1ccc(Br)cc1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000127326817 564579885 /nfs/dbraw/zinc/57/98/85/564579885.db2.gz JVENURUUNWWXOK-HNNXBMFYSA-N 1 0 380.330 3.322 20 30 GGEDRO C[C@H](Cc1ccc(Br)cc1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000127326978 564579905 /nfs/dbraw/zinc/57/99/05/564579905.db2.gz JVENURUUNWWXOK-OAHLLOKOSA-N 1 0 380.330 3.322 20 30 GGEDRO C[N@@H+](Cc1csc(Br)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000053358257 564585999 /nfs/dbraw/zinc/58/59/99/564585999.db2.gz GAIODLXAVPRTOE-CQSZACIVSA-N 1 0 381.295 3.254 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@H+](CC(N)=O)C2CCCC2)cc1OC ZINC000130088688 564669988 /nfs/dbraw/zinc/66/99/88/564669988.db2.gz KDDXKFAEOHOAEQ-UHFFFAOYSA-N 1 0 397.313 3.252 20 30 GGEDRO CCSc1cc(Cl)ccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000130914795 564695703 /nfs/dbraw/zinc/69/57/03/564695703.db2.gz HAVWZXNSNAGOKY-UHFFFAOYSA-N 1 0 377.901 3.451 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)cc(C)c2Br)c1C#N ZINC000130914533 564696052 /nfs/dbraw/zinc/69/60/52/564696052.db2.gz FBDBUWGKZLKFHP-UHFFFAOYSA-N 1 0 390.285 3.065 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NCCSC)[n+]1ccccc1 ZINC000131305700 564708320 /nfs/dbraw/zinc/70/83/20/564708320.db2.gz BNEDQTSCQLJRRC-UHFFFAOYSA-O 1 0 375.539 3.183 20 30 GGEDRO COc1ccc(CCC(=O)N(CCC#N)CCC[NH+](C)C)cc1Br ZINC000064361623 564728529 /nfs/dbraw/zinc/72/85/29/564728529.db2.gz CUMZRWOEKDJUJS-UHFFFAOYSA-N 1 0 396.329 3.084 20 30 GGEDRO C=CCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000132346478 564740538 /nfs/dbraw/zinc/74/05/38/564740538.db2.gz KECDWURVHWQMDV-UHFFFAOYSA-N 1 0 375.822 3.491 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(Br)cc2C)c1C#N ZINC000133360490 564771130 /nfs/dbraw/zinc/77/11/30/564771130.db2.gz XHNWIZQHLCYEFK-UHFFFAOYSA-N 1 0 390.285 3.065 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134286742 564799269 /nfs/dbraw/zinc/79/92/69/564799269.db2.gz FUGCRLXTQPQZPQ-UHFFFAOYSA-N 1 0 377.897 3.486 20 30 GGEDRO N#Cc1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000134600963 564809328 /nfs/dbraw/zinc/80/93/28/564809328.db2.gz ZLABEVFUMAEKFH-QGZVFWFLSA-N 1 0 386.293 3.152 20 30 GGEDRO C[NH+]1CCN(c2ncccc2CNc2ccc(C#N)cc2Br)CC1 ZINC000134725778 564813589 /nfs/dbraw/zinc/81/35/89/564813589.db2.gz FILFQSJYNJBRFY-UHFFFAOYSA-N 1 0 386.297 3.080 20 30 GGEDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000068845899 564828760 /nfs/dbraw/zinc/82/87/60/564828760.db2.gz AANUJZYZRWWLHR-QGZVFWFLSA-N 1 0 375.266 3.192 20 30 GGEDRO C=CCCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000136695566 564853359 /nfs/dbraw/zinc/85/33/59/564853359.db2.gz MTHPSYQTRNXOPJ-UHFFFAOYSA-N 1 0 381.314 3.375 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000072073435 564860910 /nfs/dbraw/zinc/86/09/10/564860910.db2.gz ZMKRVMAWWBWXHN-UHFFFAOYSA-N 1 0 389.297 3.074 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CCC[C@H](CC(N)=O)C2)cc1OC ZINC000093808896 564890446 /nfs/dbraw/zinc/89/04/46/564890446.db2.gz JGQPTNHOGNCWJK-CYBMUJFWSA-N 1 0 397.313 3.110 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000101545338 564917726 /nfs/dbraw/zinc/91/77/26/564917726.db2.gz CIIMXKUOBALZQK-AWEZNQCLSA-N 1 0 378.314 3.426 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000101545339 564917781 /nfs/dbraw/zinc/91/77/81/564917781.db2.gz CIIMXKUOBALZQK-CQSZACIVSA-N 1 0 378.314 3.426 20 30 GGEDRO COc1ccc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1Br ZINC000102697679 564932472 /nfs/dbraw/zinc/93/24/72/564932472.db2.gz HWPBKRMWZXORTN-ZDUSSCGKSA-N 1 0 394.313 3.451 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000152504510 564962702 /nfs/dbraw/zinc/96/27/02/564962702.db2.gz BELKLYNXXWFKJU-UHFFFAOYSA-N 1 0 396.285 3.057 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000106040346 564976882 /nfs/dbraw/zinc/97/68/82/564976882.db2.gz FUDZMROREUKNLS-CQSZACIVSA-N 1 0 381.314 3.373 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C)c(I)c2)CC1 ZINC000106034528 564976998 /nfs/dbraw/zinc/97/69/98/564976998.db2.gz RXEMHWQCNCYNAH-UHFFFAOYSA-N 1 0 398.288 3.370 20 30 GGEDRO [NH2+]=C(NCc1ccc(O)c(Br)c1)N[C@@H]1CCOc2ccccc21 ZINC000153465789 564996478 /nfs/dbraw/zinc/99/64/78/564996478.db2.gz OIPCEWSAFGVWFX-CQSZACIVSA-N 1 0 376.254 3.083 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3ccccc3Br)CC2)C(N)=O)cc1 ZINC000153624626 565003941 /nfs/dbraw/zinc/00/39/41/565003941.db2.gz CJZFROPUPSWJEH-QGZVFWFLSA-N 1 0 384.277 3.169 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]C(C)(C)C(=O)N(C)C)cc1OCC ZINC000108422705 565011785 /nfs/dbraw/zinc/01/17/85/565011785.db2.gz WBQPFJOGGLIRCC-UHFFFAOYSA-N 1 0 399.329 3.369 20 30 GGEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000109818669 565031804 /nfs/dbraw/zinc/03/18/04/565031804.db2.gz OTULVIRJLWZWGW-SFHVURJKSA-N 1 0 378.314 3.168 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C)(C)Cc1ccc(Br)cc1 ZINC000111253031 565052282 /nfs/dbraw/zinc/05/22/82/565052282.db2.gz QFQYTBAOHAMMAA-AWEZNQCLSA-N 1 0 380.330 3.368 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000112293752 565061928 /nfs/dbraw/zinc/06/19/28/565061928.db2.gz ZJEKBDUTOZRVML-AWEZNQCLSA-N 1 0 381.314 3.373 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000183594161 565081249 /nfs/dbraw/zinc/08/12/49/565081249.db2.gz DXDSSXVSBDLLCG-UHFFFAOYSA-N 1 0 386.323 3.460 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267989832 565136572 /nfs/dbraw/zinc/13/65/72/565136572.db2.gz RAIMZCUYCKVITN-KSSFIOAISA-N 1 0 378.567 3.497 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000268089525 565140266 /nfs/dbraw/zinc/14/02/66/565140266.db2.gz ZUVXHBYRMMEFKT-PXAZEXFGSA-N 1 0 386.323 3.365 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000268089531 565141077 /nfs/dbraw/zinc/14/10/77/565141077.db2.gz ZUVXHBYRMMEFKT-YVEFUNNKSA-N 1 0 386.323 3.365 20 30 GGEDRO CC(C)(C#N)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000157724207 565142414 /nfs/dbraw/zinc/14/24/14/565142414.db2.gz RCOUEDKRMXAXBZ-UHFFFAOYSA-N 1 0 379.302 3.434 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000293982147 565193246 /nfs/dbraw/zinc/19/32/46/565193246.db2.gz SYDBPNMPLJCYEI-KRWDZBQOSA-N 1 0 389.337 3.185 20 30 GGEDRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000185814423 565222504 /nfs/dbraw/zinc/22/25/04/565222504.db2.gz MXSYZKDBAKXQBL-KBPBESRZSA-N 1 0 394.313 3.250 20 30 GGEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000185860980 565225272 /nfs/dbraw/zinc/22/52/72/565225272.db2.gz WMPWHBDNNXEXDQ-YOEHRIQHSA-N 1 0 378.314 3.458 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000294795013 565229357 /nfs/dbraw/zinc/22/93/57/565229357.db2.gz BSXAHCARXIVCBN-UGSOOPFHSA-N 1 0 388.309 3.410 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000294794998 565229366 /nfs/dbraw/zinc/22/93/66/565229366.db2.gz BSXAHCARXIVCBN-FZKQIMNGSA-N 1 0 388.309 3.410 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSc1cccc(Br)c1 ZINC000160095327 565230493 /nfs/dbraw/zinc/23/04/93/565230493.db2.gz VAYLBAFKHYCLQP-UHFFFAOYSA-N 1 0 384.343 3.235 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000295326269 565259994 /nfs/dbraw/zinc/25/99/94/565259994.db2.gz PBDBOBMDNKZADP-CQSZACIVSA-N 1 0 376.298 3.269 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000295326256 565260245 /nfs/dbraw/zinc/26/02/45/565260245.db2.gz PBDBOBMDNKZADP-AWEZNQCLSA-N 1 0 376.298 3.269 20 30 GGEDRO C[C@@H]1C[NH+](CC2CCN(c3ncc(Br)cc3C#N)CC2)C[C@@H](C)O1 ZINC000295431211 565265523 /nfs/dbraw/zinc/26/55/23/565265523.db2.gz FSAMINHXRXQKAA-ZIAGYGMSSA-N 1 0 393.329 3.041 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000295629900 565276840 /nfs/dbraw/zinc/27/68/40/565276840.db2.gz OXZGSLLCYSUESR-GOEBONIOSA-N 1 0 384.277 3.102 20 30 GGEDRO CCn1ccnc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000373738967 565300604 /nfs/dbraw/zinc/30/06/04/565300604.db2.gz YPIFPESLZDVDEB-OAHLLOKOSA-N 1 0 378.885 3.344 20 30 GGEDRO CCn1ccnc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000373738965 565301164 /nfs/dbraw/zinc/30/11/64/565301164.db2.gz YPIFPESLZDVDEB-HNNXBMFYSA-N 1 0 378.885 3.344 20 30 GGEDRO N#Cc1ccc(CN2CCC(O)(c3scnc3Br)CC2)cc1F ZINC000374037283 565317495 /nfs/dbraw/zinc/31/74/95/565317495.db2.gz MIBUPSPYJSZSKT-UHFFFAOYSA-N 1 0 396.285 3.400 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000164957429 565365664 /nfs/dbraw/zinc/36/56/64/565365664.db2.gz HFPGLFADIHUQKQ-UHFFFAOYSA-N 1 0 391.313 3.167 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274480996 565372333 /nfs/dbraw/zinc/37/23/33/565372333.db2.gz PHLMHCUAUCTXCB-UHFFFAOYSA-N 1 0 388.697 3.197 20 30 GGEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(Br)cc3C#N)C2)CC1 ZINC000297551926 565376816 /nfs/dbraw/zinc/37/68/16/565376816.db2.gz QWZJQIBQISAJBJ-AWEZNQCLSA-N 1 0 376.298 3.125 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000170779488 565392551 /nfs/dbraw/zinc/39/25/51/565392551.db2.gz IFIKZCUNLWSHKA-KRWDZBQOSA-N 1 0 376.298 3.226 20 30 GGEDRO [NH2+]=C(NCC1(c2ccc(Br)cc2)CCOCC1)Nc1ccccn1 ZINC000170914554 565398344 /nfs/dbraw/zinc/39/83/44/565398344.db2.gz AQRMMSCCCJXFIK-UHFFFAOYSA-N 1 0 389.297 3.319 20 30 GGEDRO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000298462997 565415023 /nfs/dbraw/zinc/41/50/23/565415023.db2.gz RSAYIPGWQKXXAT-MSOLQXFVSA-N 1 0 375.266 3.020 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCCCC#N ZINC000171448079 565432573 /nfs/dbraw/zinc/43/25/73/565432573.db2.gz VKOQNPOZUSXQFH-UHFFFAOYSA-N 1 0 381.318 3.216 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(F)ccc2Br)CC1 ZINC000171554701 565437014 /nfs/dbraw/zinc/43/70/14/565437014.db2.gz VIVUSYANQHLQDX-UHFFFAOYSA-N 1 0 384.293 3.428 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@H](c1ccccc1)[NH+](C)C ZINC000189035870 565439149 /nfs/dbraw/zinc/43/91/49/565439149.db2.gz SAWCSXSXVNVEFE-FZKQIMNGSA-N 1 0 377.897 3.181 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(Br)cc1C#N ZINC000376506898 565440376 /nfs/dbraw/zinc/44/03/76/565440376.db2.gz MSEVBEMOLPPYPT-SQNIBIBYSA-N 1 0 378.314 3.004 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000299134919 565440894 /nfs/dbraw/zinc/44/08/94/565440894.db2.gz GDNUKLXJMBUJEY-UHFFFAOYSA-N 1 0 375.310 3.285 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(CC)Cc2cc(Br)ccc2F)CC1 ZINC000299173850 565442426 /nfs/dbraw/zinc/44/24/26/565442426.db2.gz ZQUVOEUEFWVUPH-UHFFFAOYSA-N 1 0 381.289 3.282 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000171704484 565445591 /nfs/dbraw/zinc/44/55/91/565445591.db2.gz HWLYUVDAEPKLLP-CYBMUJFWSA-N 1 0 396.329 3.468 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCCc2ccc(F)c(Br)c2)CC1 ZINC000171720568 565446573 /nfs/dbraw/zinc/44/65/73/565446573.db2.gz YBBKFOOUZBJIHA-UHFFFAOYSA-N 1 0 384.293 3.080 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000171733416 565446927 /nfs/dbraw/zinc/44/69/27/565446927.db2.gz RGQUISFUKWDKFH-QGZVFWFLSA-N 1 0 378.314 3.386 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000171717947 565447160 /nfs/dbraw/zinc/44/71/60/565447160.db2.gz VXDZKGNOKWOMDY-CQSZACIVSA-N 1 0 381.314 3.291 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(OC)c(OC)cc2Br)CC1 ZINC000171741753 565448065 /nfs/dbraw/zinc/44/80/65/565448065.db2.gz QHNYMBWGGFLPMH-UHFFFAOYSA-N 1 0 398.301 3.238 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCCCc2ccc(Br)cc2F)CC1 ZINC000172185601 565470606 /nfs/dbraw/zinc/47/06/06/565470606.db2.gz YEDHDTJFUWNTPM-UHFFFAOYSA-N 1 0 398.320 3.470 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189804624 565490117 /nfs/dbraw/zinc/49/01/17/565490117.db2.gz DWFJGDCBYQDUHH-UHFFFAOYSA-N 1 0 378.314 3.391 20 30 GGEDRO CC[NH+]1CCN(Cc2ccccc2CNc2snc(Cl)c2C#N)CC1 ZINC000301567668 565496427 /nfs/dbraw/zinc/49/64/27/565496427.db2.gz ZOOFHCCLLNQEBD-UHFFFAOYSA-N 1 0 375.929 3.418 20 30 GGEDRO FC(F)C(F)(F)COCC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000189922340 565497052 /nfs/dbraw/zinc/49/70/52/565497052.db2.gz KDQHOLSGHBLBOY-SNVBAGLBSA-N 1 0 377.304 3.456 20 30 GGEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000189984825 565500534 /nfs/dbraw/zinc/50/05/34/565500534.db2.gz QEZQRNXMBQFZPZ-AWEZNQCLSA-N 1 0 375.519 3.353 20 30 GGEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ncc(Br)s1 ZINC000378274114 565518896 /nfs/dbraw/zinc/51/88/96/565518896.db2.gz SGGCLCJRDFOBDU-LLVKDONJSA-N 1 0 392.326 3.492 20 30 GGEDRO N#Cc1cc(Br)ccc1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000302106433 565530413 /nfs/dbraw/zinc/53/04/13/565530413.db2.gz XTMJKKBFKYEFOP-ZWKOTPCHSA-N 1 0 386.293 3.368 20 30 GGEDRO N#Cc1cc(Br)ccc1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000302106431 565530804 /nfs/dbraw/zinc/53/08/04/565530804.db2.gz XTMJKKBFKYEFOP-QZTJIDSGSA-N 1 0 386.293 3.368 20 30 GGEDRO N#Cc1cc(Br)ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000302128884 565531334 /nfs/dbraw/zinc/53/13/34/565531334.db2.gz BLVQHGWYVNYEKB-UHFFFAOYSA-N 1 0 378.314 3.402 20 30 GGEDRO O=C(NCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1)C1N=CC=CC1=O ZINC000190629517 565547507 /nfs/dbraw/zinc/54/75/07/565547507.db2.gz UGVWXBXSYIJELE-PQDJCJPTSA-N 1 0 396.310 3.078 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(C#N)ccc1Br ZINC000278371860 565554224 /nfs/dbraw/zinc/55/42/24/565554224.db2.gz CBGOIDTZZDALQL-CQSZACIVSA-N 1 0 378.314 3.006 20 30 GGEDRO C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000390616745 565557397 /nfs/dbraw/zinc/55/73/97/565557397.db2.gz YICHYUJWPSPVAX-KRWDZBQOSA-N 1 0 375.266 3.192 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000391427990 565561548 /nfs/dbraw/zinc/56/15/48/565561548.db2.gz ZXWGEXRILWOAFD-UHFFFAOYSA-N 1 0 390.203 3.186 20 30 GGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752948 565576688 /nfs/dbraw/zinc/57/66/88/565576688.db2.gz XEKMXGNEGZTWFG-VNHYZAJKSA-N 1 0 377.286 3.187 20 30 GGEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191039645 565579556 /nfs/dbraw/zinc/57/95/56/565579556.db2.gz MQUHLUAJFFAYAW-UHFFFAOYSA-N 1 0 375.270 3.086 20 30 GGEDRO CC#CCCCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000191095165 565582114 /nfs/dbraw/zinc/58/21/14/565582114.db2.gz VPFSMLKYQZAJAB-UHFFFAOYSA-N 1 0 392.341 3.329 20 30 GGEDRO Cn1cc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1C#N ZINC000191219814 565588876 /nfs/dbraw/zinc/58/88/76/565588876.db2.gz IREFUYIMGGJASI-UHFFFAOYSA-N 1 0 377.275 3.162 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000408155252 565597205 /nfs/dbraw/zinc/59/72/05/565597205.db2.gz QCDJPIAHHVCWRX-FMKPAKJESA-N 1 0 381.929 3.238 20 30 GGEDRO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCCSCC#N)CC1 ZINC000173893161 565597276 /nfs/dbraw/zinc/59/72/76/565597276.db2.gz FNJGOXPGXSWSCF-CQSZACIVSA-N 1 0 377.539 3.124 20 30 GGEDRO Cn1cc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)cc1C#N ZINC000191337092 565598372 /nfs/dbraw/zinc/59/83/72/565598372.db2.gz OVRKPAZGGSSXPA-UHFFFAOYSA-N 1 0 387.325 3.413 20 30 GGEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000408311015 565602731 /nfs/dbraw/zinc/60/27/31/565602731.db2.gz VZSZGFJJMIPDIU-FMKPAKJESA-N 1 0 381.929 3.238 20 30 GGEDRO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)cc1OCC ZINC000191723230 565625293 /nfs/dbraw/zinc/62/52/93/565625293.db2.gz VDGVGTMJBGIZFY-HIFRSBDPSA-N 1 0 384.314 3.473 20 30 GGEDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191779476 565630711 /nfs/dbraw/zinc/63/07/11/565630711.db2.gz RECMVLXQAYRAOE-HNNXBMFYSA-N 1 0 378.314 3.449 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000279817252 565635007 /nfs/dbraw/zinc/63/50/07/565635007.db2.gz GDSKPKMFFUTISX-CYBMUJFWSA-N 1 0 381.318 3.245 20 30 GGEDRO CC[NH+](CC)CCSCC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000174432780 565635958 /nfs/dbraw/zinc/63/59/58/565635958.db2.gz NHUAUFWCDAQYCK-HNNXBMFYSA-N 1 0 384.343 3.205 20 30 GGEDRO CC[NH+](CC)CCSCC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000174432794 565635963 /nfs/dbraw/zinc/63/59/63/565635963.db2.gz NHUAUFWCDAQYCK-OAHLLOKOSA-N 1 0 384.343 3.205 20 30 GGEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000328670533 565638039 /nfs/dbraw/zinc/63/80/39/565638039.db2.gz MSQRCCSTOJIOEI-NKZPBKNFSA-N 1 0 398.276 3.008 20 30 GGEDRO CC(C)(CCC#N)C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000174601526 565645289 /nfs/dbraw/zinc/64/52/89/565645289.db2.gz NACQAMGXGOLTDY-UHFFFAOYSA-N 1 0 383.583 3.385 20 30 GGEDRO Cc1ncoc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000329135592 565655530 /nfs/dbraw/zinc/65/55/30/565655530.db2.gz QPJNDYYHQAUUGD-UHFFFAOYSA-N 1 0 379.258 3.134 20 30 GGEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000329188237 565657771 /nfs/dbraw/zinc/65/77/71/565657771.db2.gz QIHYPQMLCFUHEJ-INIZCTEOSA-N 1 0 384.307 3.188 20 30 GGEDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc2c(c(Br)c1)OCO2 ZINC000329176894 565657882 /nfs/dbraw/zinc/65/78/82/565657882.db2.gz MYCLANISMJJBLD-LBPRGKRZSA-N 1 0 381.270 3.499 20 30 GGEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc2c(c(Br)c1)OCO2 ZINC000329176893 565658147 /nfs/dbraw/zinc/65/81/47/565658147.db2.gz MYCLANISMJJBLD-GFCCVEGCSA-N 1 0 381.270 3.499 20 30 GGEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc(Cl)sc3Cl)CC2)C1=O ZINC000329196704 565659330 /nfs/dbraw/zinc/65/93/30/565659330.db2.gz UXGWHXLWBCIHCH-LLVKDONJSA-N 1 0 376.309 3.055 20 30 GGEDRO C#CCCCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000192125520 565661212 /nfs/dbraw/zinc/66/12/12/565661212.db2.gz GIPSPEVHTGWUEY-UHFFFAOYSA-N 1 0 393.325 3.212 20 30 GGEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000329282048 565661702 /nfs/dbraw/zinc/66/17/02/565661702.db2.gz MTFLJYCCEJDGLX-LBPRGKRZSA-N 1 0 380.290 3.441 20 30 GGEDRO C[NH+]=C(NCc1nc(-c2cccc(Cl)c2)no1)NCc1nc(C)cs1 ZINC000175010501 565673735 /nfs/dbraw/zinc/67/37/35/565673735.db2.gz OMXULJAEJYDYBU-UHFFFAOYSA-N 1 0 376.873 3.020 20 30 GGEDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000329633979 565674514 /nfs/dbraw/zinc/67/45/14/565674514.db2.gz STTFXVZBWBOEAR-CYBMUJFWSA-N 1 0 396.329 3.120 20 30 GGEDRO C[N@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccccc1Br ZINC000410312586 565675727 /nfs/dbraw/zinc/67/57/27/565675727.db2.gz DZXOKFGXDMTXNQ-UHFFFAOYSA-N 1 0 394.313 3.420 20 30 GGEDRO CC1(C)C[S@@](=O)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000329958736 565687629 /nfs/dbraw/zinc/68/76/29/565687629.db2.gz QUEXGDLPKBSUEY-VWLOTQADSA-N 1 0 379.551 3.320 20 30 GGEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1ncc(C#N)cc1Cl ZINC000410556494 565689346 /nfs/dbraw/zinc/68/93/46/565689346.db2.gz ZQTZGTNWAWTFTH-UHFFFAOYSA-N 1 0 376.810 3.343 20 30 GGEDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000330097852 565691940 /nfs/dbraw/zinc/69/19/40/565691940.db2.gz BFVQYDRQKJXSNT-AAEUAGOBSA-N 1 0 381.274 3.263 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280807715 565696595 /nfs/dbraw/zinc/69/65/95/565696595.db2.gz LQGHQCAHRCMTKB-ZVZYQTTQSA-N 1 0 386.945 3.270 20 30 GGEDRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000330182421 565696808 /nfs/dbraw/zinc/69/68/08/565696808.db2.gz OYTCURWUCTWYGY-HUUCEWRRSA-N 1 0 383.901 3.408 20 30 GGEDRO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330203599 565697087 /nfs/dbraw/zinc/69/70/87/565697087.db2.gz AYGLWGMVLUNGJA-AWEZNQCLSA-N 1 0 381.270 3.304 20 30 GGEDRO COc1cc(Br)cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000330566117 565711782 /nfs/dbraw/zinc/71/17/82/565711782.db2.gz LZTWQKSRCDWSQW-OAHLLOKOSA-N 1 0 388.331 3.221 20 30 GGEDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)[C@@H](C)C1 ZINC000330556185 565711839 /nfs/dbraw/zinc/71/18/39/565711839.db2.gz GXDLQLBRHFUBAD-WDEREUQCSA-N 1 0 390.709 3.035 20 30 GGEDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Cl)cc(Br)c1F ZINC000330605673 565714743 /nfs/dbraw/zinc/71/47/43/565714743.db2.gz JVYZONUQIAKODQ-LLVKDONJSA-N 1 0 393.684 3.393 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000175742677 565720423 /nfs/dbraw/zinc/72/04/23/565720423.db2.gz MEEJKTNTZIUECT-CQSZACIVSA-N 1 0 396.329 3.166 20 30 GGEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cc(Br)ccc2F)C1 ZINC000330760433 565721584 /nfs/dbraw/zinc/72/15/84/565721584.db2.gz ZQCQVBOQOWPNED-ZDUSSCGKSA-N 1 0 388.281 3.271 20 30 GGEDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Cl)cc(F)c1Br ZINC000330830901 565725379 /nfs/dbraw/zinc/72/53/79/565725379.db2.gz GWHOAWGSWISLIM-LLVKDONJSA-N 1 0 393.684 3.393 20 30 GGEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(I)c(O)c1 ZINC000330880739 565727755 /nfs/dbraw/zinc/72/77/55/565727755.db2.gz YOPRTZLNSHJTHB-GFCCVEGCSA-N 1 0 388.249 3.176 20 30 GGEDRO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@H]1CC ZINC000330979361 565733497 /nfs/dbraw/zinc/73/34/97/565733497.db2.gz LZRPSDPQYGTJCF-GFCCVEGCSA-N 1 0 375.300 3.367 20 30 GGEDRO CC(C)[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000331107615 565738570 /nfs/dbraw/zinc/73/85/70/565738570.db2.gz AMAQHSKLWUARLV-WFASDCNBSA-N 1 0 386.323 3.485 20 30 GGEDRO COC(=O)c1c(Br)ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1C ZINC000331098815 565738875 /nfs/dbraw/zinc/73/88/75/565738875.db2.gz DWNWVCHPAAXRHI-VXGBXAGGSA-N 1 0 398.301 3.114 20 30 GGEDRO Cc1csc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1Br ZINC000331110028 565739218 /nfs/dbraw/zinc/73/92/18/565739218.db2.gz BKEBIJFSIUIYAT-LBPRGKRZSA-N 1 0 375.332 3.216 20 30 GGEDRO CCC[NH+]1CCN(C(=O)Nc2ccc(Br)c(C(=O)OC)c2C)CC1 ZINC000331137543 565741000 /nfs/dbraw/zinc/74/10/00/565741000.db2.gz WEIAOMSZMOYWFX-UHFFFAOYSA-N 1 0 398.301 3.117 20 30 GGEDRO COc1cc(OC)c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1Br ZINC000331157895 565743916 /nfs/dbraw/zinc/74/39/16/565743916.db2.gz DMCPPIWMXGSRPA-MNOVXSKESA-N 1 0 386.290 3.036 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000331235086 565747938 /nfs/dbraw/zinc/74/79/38/565747938.db2.gz SRGFWAKFAAOSSJ-NSHDSACASA-N 1 0 390.347 3.186 20 30 GGEDRO COc1cc(Cl)c(Cl)cc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000331273421 565750827 /nfs/dbraw/zinc/75/08/27/565750827.db2.gz ONNHCFLCOVVWSD-UHFFFAOYSA-N 1 0 389.327 3.354 20 30 GGEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000331287767 565751792 /nfs/dbraw/zinc/75/17/92/565751792.db2.gz YYVWUTWDRQUXOH-UHFFFAOYSA-N 1 0 382.302 3.336 20 30 GGEDRO COc1c(Cl)cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1Cl ZINC000331293327 565752840 /nfs/dbraw/zinc/75/28/40/565752840.db2.gz LTHFGOJDVDGYGA-NSHDSACASA-N 1 0 390.311 3.325 20 30 GGEDRO Cc1cccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1Br ZINC000331294573 565753172 /nfs/dbraw/zinc/75/31/72/565753172.db2.gz MSCAILMKHILYMS-CYBMUJFWSA-N 1 0 384.318 3.080 20 30 GGEDRO Cc1nc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)s1 ZINC000331361351 565756414 /nfs/dbraw/zinc/75/64/14/565756414.db2.gz YXUQIOHLAIMAAX-JTQLQIEISA-N 1 0 389.319 3.156 20 30 GGEDRO COCCC[NH+]1CCC(NC(=O)c2nc(C)sc2Br)CC1 ZINC000331352068 565756751 /nfs/dbraw/zinc/75/67/51/565756751.db2.gz OMAXSFOGFHKERF-UHFFFAOYSA-N 1 0 376.320 3.020 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000331812723 565785950 /nfs/dbraw/zinc/78/59/50/565785950.db2.gz LNOAIQVGVADFJJ-UHFFFAOYSA-N 1 0 377.286 3.096 20 30 GGEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000331903946 565791908 /nfs/dbraw/zinc/79/19/08/565791908.db2.gz HENWKVGHIMOPQP-WBMJQRKESA-N 1 0 377.286 3.411 20 30 GGEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000331903434 565792084 /nfs/dbraw/zinc/79/20/84/565792084.db2.gz HENWKVGHIMOPQP-LRDDRELGSA-N 1 0 377.286 3.411 20 30 GGEDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000176794867 565804330 /nfs/dbraw/zinc/80/43/30/565804330.db2.gz MYVVFADVBOKIRT-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC)c(Cl)c2)CC1 ZINC000176840492 565806978 /nfs/dbraw/zinc/80/69/78/565806978.db2.gz KBZPMLIHYLBOAC-UHFFFAOYSA-N 1 0 381.929 3.157 20 30 GGEDRO N#Cc1ccc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)s1 ZINC000176959693 565818745 /nfs/dbraw/zinc/81/87/45/565818745.db2.gz XRXRODBTAMEFRW-UHFFFAOYSA-N 1 0 378.295 3.292 20 30 GGEDRO C=CCn1c(SCC[N@@H+]2CCCOCC2)nc2sc(C)c(C)c2c1=O ZINC000412981701 565827143 /nfs/dbraw/zinc/82/71/43/565827143.db2.gz WGFWKFWGQHPFQH-UHFFFAOYSA-N 1 0 379.551 3.075 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1ncc(C#N)cc1F ZINC000413186060 565838142 /nfs/dbraw/zinc/83/81/42/565838142.db2.gz APGFHCSTIDFBOO-UHFFFAOYSA-N 1 0 377.261 3.423 20 30 GGEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000332647357 565849789 /nfs/dbraw/zinc/84/97/89/565849789.db2.gz SUNQUXXZFWZXCU-GJZGRUSLSA-N 1 0 377.286 3.411 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc(CO)c2)c(C)s1 ZINC000284460621 565854907 /nfs/dbraw/zinc/85/49/07/565854907.db2.gz QRZXONFAJVJGPZ-UHFFFAOYSA-O 1 0 375.539 3.226 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000333354629 565878496 /nfs/dbraw/zinc/87/84/96/565878496.db2.gz RWIFFMZNRTXHRT-KGLIPLIRSA-N 1 0 377.286 3.174 20 30 GGEDRO C=CCN1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000177912222 565880479 /nfs/dbraw/zinc/88/04/79/565880479.db2.gz YABBQDRWLBLXPL-AWEZNQCLSA-N 1 0 380.330 3.406 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000285211794 565894961 /nfs/dbraw/zinc/89/49/61/565894961.db2.gz BSKIYSGXJAHZKN-KRWDZBQOSA-N 1 0 393.329 3.245 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000178774912 565936715 /nfs/dbraw/zinc/93/67/15/565936715.db2.gz GGJUIGLMAWZFMZ-ZDUSSCGKSA-N 1 0 398.320 3.469 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)C(=O)NC(C)C)cc1OCC ZINC000414546684 565946358 /nfs/dbraw/zinc/94/63/58/565946358.db2.gz UOAWVQCTIPBLFJ-CYBMUJFWSA-N 1 0 399.329 3.415 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)NC(C)C)cc1OCC ZINC000414546685 565947017 /nfs/dbraw/zinc/94/70/17/565947017.db2.gz UOAWVQCTIPBLFJ-ZDUSSCGKSA-N 1 0 399.329 3.415 20 30 GGEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000363016733 565987537 /nfs/dbraw/zinc/98/75/37/565987537.db2.gz DVCSKQMGVIGXCN-UHFFFAOYSA-N 1 0 397.276 3.332 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000179634810 565995157 /nfs/dbraw/zinc/99/51/57/565995157.db2.gz CZDWJHJPDNTYNI-CQSZACIVSA-N 1 0 383.330 3.406 20 30 GGEDRO [NH3+]CC[C@H](NC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C(F)F ZINC000415639690 566010912 /nfs/dbraw/zinc/01/09/12/566010912.db2.gz RIQGXGDRVXADGF-QMMMGPOBSA-N 1 0 377.260 3.411 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415810241 566019869 /nfs/dbraw/zinc/01/98/69/566019869.db2.gz WOOVHBLPNJHZHF-KGLIPLIRSA-N 1 0 380.286 3.372 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415800349 566020190 /nfs/dbraw/zinc/02/01/90/566020190.db2.gz DSAITOLDCFVQTM-STQMWFEESA-N 1 0 382.302 3.463 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415802494 566020254 /nfs/dbraw/zinc/02/02/54/566020254.db2.gz ICLCSJDCSIZPBZ-KRWDZBQOSA-N 1 0 380.286 3.231 20 30 GGEDRO [NH3+]CC[C@@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000415986439 566023523 /nfs/dbraw/zinc/02/35/23/566023523.db2.gz ANYINABTCCZJKI-PSASIEDQSA-N 1 0 379.251 3.147 20 30 GGEDRO [NH3+]CC[C@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)C(F)(F)F ZINC000416050332 566030211 /nfs/dbraw/zinc/03/02/11/566030211.db2.gz RNDBHEODJCSGMJ-JTQLQIEISA-N 1 0 379.251 3.063 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c(Br)c1 ZINC000364448510 566052942 /nfs/dbraw/zinc/05/29/42/566052942.db2.gz RAZQKNKUSKPSJU-LJQANCHMSA-N 1 0 382.261 3.417 20 30 GGEDRO C[C@H](C#N)S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000416393508 566061124 /nfs/dbraw/zinc/06/11/24/566061124.db2.gz SMYASVFWZGVHAW-CYBMUJFWSA-N 1 0 390.336 3.133 20 30 GGEDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000416551243 566085678 /nfs/dbraw/zinc/08/56/78/566085678.db2.gz GMNGGRAQONIADM-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000416556951 566086862 /nfs/dbraw/zinc/08/68/62/566086862.db2.gz MMWIGBSUDSICJO-UHFFFAOYSA-N 1 0 397.953 3.220 20 30 GGEDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000416558443 566087170 /nfs/dbraw/zinc/08/71/70/566087170.db2.gz PAENZIFYJWDGPO-UHFFFAOYSA-N 1 0 383.926 3.026 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(C#N)ccc1Br ZINC000365193262 566089260 /nfs/dbraw/zinc/08/92/60/566089260.db2.gz ZTENBLVKYZYIGJ-NXHRZFHOSA-N 1 0 378.314 3.004 20 30 GGEDRO C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2cccc(Br)c21 ZINC000180866814 566095406 /nfs/dbraw/zinc/09/54/06/566095406.db2.gz ZPVQEZMOFAESRQ-AJORXLENSA-N 1 0 390.281 3.113 20 30 GGEDRO Cn1cc(C[N@H+](C)CCn2cc(Br)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000288910348 566096519 /nfs/dbraw/zinc/09/65/19/566096519.db2.gz UAWFVHJZACHNOU-UHFFFAOYSA-N 1 0 399.296 3.050 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000262043385 566146080 /nfs/dbraw/zinc/14/60/80/566146080.db2.gz PMRHVFWFIQHLGF-GOSISDBHSA-N 1 0 381.314 3.208 20 30 GGEDRO CC(C)(COc1ncccc1Br)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000181516716 566146750 /nfs/dbraw/zinc/14/67/50/566146750.db2.gz PENCAPLJZXXOAC-MRXNPFEDSA-N 1 0 390.281 3.196 20 30 GGEDRO CC(C)(COc1ncccc1Br)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000181516702 566146834 /nfs/dbraw/zinc/14/68/34/566146834.db2.gz PENCAPLJZXXOAC-INIZCTEOSA-N 1 0 390.281 3.196 20 30 GGEDRO CC[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262466118 566153017 /nfs/dbraw/zinc/15/30/17/566153017.db2.gz YGIBGKGWWRHYHW-OASPWFOLSA-N 1 0 376.448 3.031 20 30 GGEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)s1 ZINC000262448533 566153244 /nfs/dbraw/zinc/15/32/44/566153244.db2.gz JJMUGTWPQQZLHO-UHFFFAOYSA-N 1 0 377.535 3.347 20 30 GGEDRO CC[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262466113 566153472 /nfs/dbraw/zinc/15/34/72/566153472.db2.gz YGIBGKGWWRHYHW-BIMULSAOSA-N 1 0 376.448 3.031 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000182074828 566180302 /nfs/dbraw/zinc/18/03/02/566180302.db2.gz ZQEYFLDVFFLKQE-STQMWFEESA-N 1 0 382.302 3.116 20 30 GGEDRO COC(=O)C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccc(Br)c1 ZINC000290620695 566181393 /nfs/dbraw/zinc/18/13/93/566181393.db2.gz XHAOBVBNKXRPAY-INIZCTEOSA-N 1 0 376.254 3.053 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)nc1 ZINC000290628417 566182083 /nfs/dbraw/zinc/18/20/83/566182083.db2.gz IWRRYTPIWSCHBE-GUYCJALGSA-N 1 0 399.292 3.167 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1Br ZINC000367584722 566207962 /nfs/dbraw/zinc/20/79/62/566207962.db2.gz BLKKFUNPNBDJKG-ZDUSSCGKSA-N 1 0 377.286 3.270 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000182721063 566220185 /nfs/dbraw/zinc/22/01/85/566220185.db2.gz MJMKNWCUYQMIJV-UHFFFAOYSA-N 1 0 395.345 3.201 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418793386 566223951 /nfs/dbraw/zinc/22/39/51/566223951.db2.gz PZICMTPBUUNYPM-SWLSCSKDSA-N 1 0 384.293 3.413 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418793387 566223976 /nfs/dbraw/zinc/22/39/76/566223976.db2.gz PZICMTPBUUNYPM-WFASDCNBSA-N 1 0 384.293 3.413 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418793384 566224098 /nfs/dbraw/zinc/22/40/98/566224098.db2.gz PZICMTPBUUNYPM-DOMZBBRYSA-N 1 0 384.293 3.413 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(C#N)cc1Br ZINC000367949310 566224502 /nfs/dbraw/zinc/22/45/02/566224502.db2.gz CPZZZAQGNIKQLA-KBAYOESNSA-N 1 0 378.314 3.004 20 30 GGEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(C#N)cc1Br ZINC000367949312 566224733 /nfs/dbraw/zinc/22/47/33/566224733.db2.gz CPZZZAQGNIKQLA-NXHRZFHOSA-N 1 0 378.314 3.004 20 30 GGEDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000367966400 566225447 /nfs/dbraw/zinc/22/54/47/566225447.db2.gz ZDEYVSVIBNNNPN-SJLPKXTDSA-N 1 0 389.297 3.142 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183018480 566235039 /nfs/dbraw/zinc/23/50/39/566235039.db2.gz PZVXBKNVMHZKBY-ZFWWWQNUSA-N 1 0 381.929 3.143 20 30 GGEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183024555 566235139 /nfs/dbraw/zinc/23/51/39/566235139.db2.gz GGBAUDXVXQNUJA-DZGCQCFKSA-N 1 0 381.929 3.143 20 30 GGEDRO NC(=NOCc1cccc(Br)n1)c1ccc(N2CCCCC2)nc1 ZINC000291796495 566235412 /nfs/dbraw/zinc/23/54/12/566235412.db2.gz BJDOIZWIHFHYCW-UHFFFAOYSA-N 1 0 390.285 3.067 20 30 GGEDRO N#CC1(CCC[NH+]2CCC(n3cc(Br)cn3)CC2)CCOCC1 ZINC000368541451 566241196 /nfs/dbraw/zinc/24/11/96/566241196.db2.gz ZOCPSIDHUSNMHR-UHFFFAOYSA-N 1 0 381.318 3.383 20 30 GGEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000508938114 566251724 /nfs/dbraw/zinc/25/17/24/566251724.db2.gz GVXJSIKKPDRFFV-INIZCTEOSA-N 1 0 388.313 3.178 20 30 GGEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000444766534 566252165 /nfs/dbraw/zinc/25/21/65/566252165.db2.gz NTZKWAPKUKXZCV-NSHDSACASA-N 1 0 378.295 3.349 20 30 GGEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)N(CC)CCC#N ZINC000481810425 566254080 /nfs/dbraw/zinc/25/40/80/566254080.db2.gz DXGJBSAYAKZOEM-MRXNPFEDSA-N 1 0 380.330 3.464 20 30 GGEDRO [NH3+]CC[C@H](NC(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)F ZINC000669387119 566298161 /nfs/dbraw/zinc/29/81/61/566298161.db2.gz VPIWXBRKGMZBCE-ZKWXMUAHSA-N 1 0 385.299 3.178 20 30 GGEDRO N#Cc1csc(C[NH2+]CCOc2ccc(I)cc2)c1 ZINC000509436965 566305176 /nfs/dbraw/zinc/30/51/76/566305176.db2.gz FRQUXJMZODWTOQ-UHFFFAOYSA-N 1 0 384.242 3.393 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(F)ccc(Br)c2OC)CC1 ZINC000648773365 566310839 /nfs/dbraw/zinc/31/08/39/566310839.db2.gz FILAONMZSKYSET-UHFFFAOYSA-N 1 0 385.277 3.367 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000576090821 566314079 /nfs/dbraw/zinc/31/40/79/566314079.db2.gz OPWRXDKHKPNGAW-QWHCGFSZSA-N 1 0 380.286 3.087 20 30 GGEDRO C[C@@H]1C[C@H]([NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCO1 ZINC000420935224 566330472 /nfs/dbraw/zinc/33/04/72/566330472.db2.gz JNTWABDUZMAGMS-OLMNPRSZSA-N 1 0 378.314 3.199 20 30 GGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000556915169 566344180 /nfs/dbraw/zinc/34/41/80/566344180.db2.gz NSEGMJMLDGUFFP-UONOGXRCSA-N 1 0 389.359 3.308 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(Br)cn1 ZINC000482964274 566345520 /nfs/dbraw/zinc/34/55/20/566345520.db2.gz RUCNSRRIQMRQJC-JTQLQIEISA-N 1 0 379.283 3.457 20 30 GGEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625699283 566352762 /nfs/dbraw/zinc/35/27/62/566352762.db2.gz CWINLOHIUPDIGF-HOTGVXAUSA-N 1 0 381.339 3.402 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000557018959 566354881 /nfs/dbraw/zinc/35/48/81/566354881.db2.gz JHNXPMABQYJFBU-JSGCOSHPSA-N 1 0 380.286 3.230 20 30 GGEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCOc1cccc(Cl)c1Cl ZINC000600717949 566359252 /nfs/dbraw/zinc/35/92/52/566359252.db2.gz DKVZCERYCJMHLO-AWEZNQCLSA-N 1 0 381.259 3.273 20 30 GGEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000576609579 566362106 /nfs/dbraw/zinc/36/21/06/566362106.db2.gz HIFKWRNDLGYOFM-QAPCUYQASA-N 1 0 378.314 3.058 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)cc1F ZINC000421384616 566371500 /nfs/dbraw/zinc/37/15/00/566371500.db2.gz KJHIPIPBGHKZKA-HNNXBMFYSA-N 1 0 377.257 3.401 20 30 GGEDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000510362719 566377539 /nfs/dbraw/zinc/37/75/39/566377539.db2.gz IHTXHJHGLNWTHS-DOMZBBRYSA-N 1 0 381.885 3.212 20 30 GGEDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000510362721 566377636 /nfs/dbraw/zinc/37/76/36/566377636.db2.gz IHTXHJHGLNWTHS-SWLSCSKDSA-N 1 0 381.885 3.212 20 30 GGEDRO C[N@H+](CCc1cccc(Br)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000463426823 566410974 /nfs/dbraw/zinc/41/09/74/566410974.db2.gz RDYYPNLKFBRRFZ-GOSISDBHSA-N 1 0 389.293 3.235 20 30 GGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000537097112 566422860 /nfs/dbraw/zinc/42/28/60/566422860.db2.gz AMXQHOHOQUVRAF-GXTWGEPZSA-N 1 0 379.302 3.173 20 30 GGEDRO CC1(c2ccc(Br)cc2)CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000558107164 566450511 /nfs/dbraw/zinc/45/05/11/566450511.db2.gz MWBHNYUUDDAMPA-UHFFFAOYSA-N 1 0 390.325 3.365 20 30 GGEDRO CC(C)[C@@](C)([NH2+]CC(=O)NC1(C#N)CCC1)c1ccc(Br)cc1 ZINC000558117290 566450683 /nfs/dbraw/zinc/45/06/83/566450683.db2.gz PCDOZEBPRLGKBC-QGZVFWFLSA-N 1 0 378.314 3.472 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1 ZINC000558256377 566461322 /nfs/dbraw/zinc/46/13/22/566461322.db2.gz IFTVSCLRQBGOMM-WMLDXEAASA-N 1 0 375.519 3.124 20 30 GGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000602445655 566471651 /nfs/dbraw/zinc/47/16/51/566471651.db2.gz SCNOQABKZALMCA-KBPBESRZSA-N 1 0 379.302 3.434 20 30 GGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000602445660 566472006 /nfs/dbraw/zinc/47/20/06/566472006.db2.gz SCNOQABKZALMCA-ZIAGYGMSSA-N 1 0 379.302 3.434 20 30 GGEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C2CC2)cc1 ZINC000602442597 566472053 /nfs/dbraw/zinc/47/20/53/566472053.db2.gz ZRKGAZYWEXBOEE-UHFFFAOYSA-N 1 0 375.881 3.024 20 30 GGEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000602529708 566475333 /nfs/dbraw/zinc/47/53/33/566475333.db2.gz XGPZLIAOTNEXGK-CQSZACIVSA-N 1 0 394.313 3.466 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000602519986 566475855 /nfs/dbraw/zinc/47/58/55/566475855.db2.gz CIMNCSDGVDUASE-UONOGXRCSA-N 1 0 387.307 3.422 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000602529706 566476307 /nfs/dbraw/zinc/47/63/07/566476307.db2.gz XGPZLIAOTNEXGK-AWEZNQCLSA-N 1 0 394.313 3.466 20 30 GGEDRO N#Cc1cc(Br)ccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000448585003 566480068 /nfs/dbraw/zinc/48/00/68/566480068.db2.gz JDSJDIBZUOSIEG-MRXNPFEDSA-N 1 0 388.265 3.481 20 30 GGEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000602636512 566483253 /nfs/dbraw/zinc/48/32/53/566483253.db2.gz IXIQKVFLNPRLAY-HOTGVXAUSA-N 1 0 395.341 3.289 20 30 GGEDRO N#Cc1cccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1Br ZINC000448674528 566485872 /nfs/dbraw/zinc/48/58/72/566485872.db2.gz HGSDGBGSEZQPFD-UHFFFAOYSA-N 1 0 398.304 3.499 20 30 GGEDRO N#Cc1cccc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)n1 ZINC000602697254 566488274 /nfs/dbraw/zinc/48/82/74/566488274.db2.gz WJDFMZIPWKBPRV-UHFFFAOYSA-N 1 0 385.309 3.470 20 30 GGEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448788578 566499032 /nfs/dbraw/zinc/49/90/32/566499032.db2.gz XVIOOVASOXRCIG-MCIONIFRSA-N 1 0 378.314 3.417 20 30 GGEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000558740718 566504110 /nfs/dbraw/zinc/50/41/10/566504110.db2.gz CPSYNCAOTHXBIX-CYBMUJFWSA-N 1 0 393.306 3.445 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000448923868 566512487 /nfs/dbraw/zinc/51/24/87/566512487.db2.gz WFVIQTPMBJOQNN-UHFFFAOYSA-N 1 0 380.261 3.450 20 30 GGEDRO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424109440 566512795 /nfs/dbraw/zinc/51/27/95/566512795.db2.gz AKUJZIQLYAPUOE-HUUCEWRRSA-N 1 0 380.286 3.142 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000424102030 566513120 /nfs/dbraw/zinc/51/31/20/566513120.db2.gz AFFMILWMUHJYRX-AWEZNQCLSA-N 1 0 393.310 3.456 20 30 GGEDRO N#CCCC[C@H]([NH3+])C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000424106726 566513242 /nfs/dbraw/zinc/51/32/42/566513242.db2.gz SVALBUKLJYNAKD-INIZCTEOSA-N 1 0 384.307 3.179 20 30 GGEDRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424135359 566513885 /nfs/dbraw/zinc/51/38/85/566513885.db2.gz JIDKLFPDMITXQX-DGFSRKRXSA-N 1 0 382.327 3.369 20 30 GGEDRO C=CCSCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000578350070 566514279 /nfs/dbraw/zinc/51/42/79/566514279.db2.gz CZQKXXYBYDGRQK-LBPRGKRZSA-N 1 0 380.735 3.351 20 30 GGEDRO Cn1cc(CN(CCn2ccnc2)Cc2ccc(Br)o2)cc1C#N ZINC000578370037 566515766 /nfs/dbraw/zinc/51/57/66/566515766.db2.gz NFEGWWZJVIPMAF-UHFFFAOYSA-N 1 0 388.269 3.151 20 30 GGEDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000485691460 566517859 /nfs/dbraw/zinc/51/78/59/566517859.db2.gz XLEIFIHEHGTKSA-CQSZACIVSA-N 1 0 375.519 3.353 20 30 GGEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000424203714 566519799 /nfs/dbraw/zinc/51/97/99/566519799.db2.gz RMRBEKZDFFEJIT-IAGOWNOFSA-N 1 0 378.314 3.394 20 30 GGEDRO C=CC1CC[NH+](Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)CC1 ZINC000449036465 566523845 /nfs/dbraw/zinc/52/38/45/566523845.db2.gz TXGMPSKOPWVBKA-ZDUSSCGKSA-N 1 0 381.314 3.360 20 30 GGEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)C2CC2)nnc1-c1ccc(Cl)cc1 ZINC000578476042 566525357 /nfs/dbraw/zinc/52/53/57/566525357.db2.gz UUFGLZDIOCYTJC-MRXNPFEDSA-N 1 0 378.929 3.332 20 30 GGEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CCC(C)(C#N)CC2)s1 ZINC000449129008 566532094 /nfs/dbraw/zinc/53/20/94/566532094.db2.gz ULYUBSJJAQNLBY-UHFFFAOYSA-N 1 0 383.583 3.383 20 30 GGEDRO C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604081478 566553431 /nfs/dbraw/zinc/55/34/31/566553431.db2.gz VZILRHXIWJNICH-SFHVURJKSA-N 1 0 389.293 3.387 20 30 GGEDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000578880996 566562873 /nfs/dbraw/zinc/56/28/73/566562873.db2.gz NODRPXDVBVYEAK-CQSZACIVSA-N 1 0 378.881 3.042 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC(C)(C)C#N ZINC000512916058 566569059 /nfs/dbraw/zinc/56/90/59/566569059.db2.gz AQFCBOCDIWGIJU-UHFFFAOYSA-N 1 0 381.318 3.072 20 30 GGEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000539223807 566569575 /nfs/dbraw/zinc/56/95/75/566569575.db2.gz MNIFMEOIFCUCOQ-SNVBAGLBSA-N 1 0 380.229 3.333 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)Cc2cnn(C)c2)cc1OC ZINC000449593514 566578706 /nfs/dbraw/zinc/57/87/06/566578706.db2.gz ZXRYBQRRQJMNGL-CYBMUJFWSA-N 1 0 394.313 3.477 20 30 GGEDRO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1Br ZINC000449596862 566579252 /nfs/dbraw/zinc/57/92/52/566579252.db2.gz CLPHIHFAPHENPU-OWCLPIDISA-N 1 0 381.314 3.281 20 30 GGEDRO N#Cc1csc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449603301 566582151 /nfs/dbraw/zinc/58/21/51/566582151.db2.gz VUHCVOHKLSHHGN-GFCCVEGCSA-N 1 0 383.286 3.462 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)cc1 ZINC000449603225 566582300 /nfs/dbraw/zinc/58/23/00/566582300.db2.gz VMIWNQSUSMGDCD-OAHLLOKOSA-N 1 0 377.257 3.401 20 30 GGEDRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000449683095 566590965 /nfs/dbraw/zinc/59/09/65/566590965.db2.gz OSSPYHAVJLGYTD-INIZCTEOSA-N 1 0 389.293 3.270 20 30 GGEDRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1cc(C#N)cs1 ZINC000449681561 566591163 /nfs/dbraw/zinc/59/11/63/566591163.db2.gz MBFKBAJHXRHIIV-ZDUSSCGKSA-N 1 0 395.322 3.332 20 30 GGEDRO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449685217 566592888 /nfs/dbraw/zinc/59/28/88/566592888.db2.gz UFESMZUQQUKROY-ZQIUZPCESA-N 1 0 381.314 3.281 20 30 GGEDRO C=CCC[C@@H](CO)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000449699110 566594710 /nfs/dbraw/zinc/59/47/10/566594710.db2.gz PUUHUBUMKZSWIU-KRWDZBQOSA-N 1 0 395.341 3.279 20 30 GGEDRO C=CCC[C@H](CO)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000449699111 566594757 /nfs/dbraw/zinc/59/47/57/566594757.db2.gz PUUHUBUMKZSWIU-QGZVFWFLSA-N 1 0 395.341 3.279 20 30 GGEDRO CC(C)(C)[NH+]1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449794558 566602589 /nfs/dbraw/zinc/60/25/89/566602589.db2.gz IUNZHLRWXJUWRS-UHFFFAOYSA-N 1 0 394.313 3.079 20 30 GGEDRO CC[NH+](CC)CCC[C@H](C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449789821 566602777 /nfs/dbraw/zinc/60/27/77/566602777.db2.gz IKYXYUYQTBICFR-AWEZNQCLSA-N 1 0 396.329 3.326 20 30 GGEDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449789823 566603150 /nfs/dbraw/zinc/60/31/50/566603150.db2.gz IKYXYUYQTBICFR-CQSZACIVSA-N 1 0 396.329 3.326 20 30 GGEDRO CCCC[NH+]1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449830611 566607845 /nfs/dbraw/zinc/60/78/45/566607845.db2.gz QGPFCGTYXSRTRH-UHFFFAOYSA-N 1 0 394.313 3.080 20 30 GGEDRO N#Cc1cccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1Br ZINC000449865729 566610829 /nfs/dbraw/zinc/61/08/29/566610829.db2.gz CABTWHYFWKKUIB-UHFFFAOYSA-N 1 0 399.292 3.110 20 30 GGEDRO C[NH+](C)CC[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(C)(C)C ZINC000449879375 566611664 /nfs/dbraw/zinc/61/16/64/566611664.db2.gz GYJGENFVMYFBMG-INIZCTEOSA-N 1 0 396.329 3.182 20 30 GGEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000450066534 566629910 /nfs/dbraw/zinc/62/99/10/566629910.db2.gz GQMXRQKVNPSAKW-CQSZACIVSA-N 1 0 376.298 3.125 20 30 GGEDRO N#Cc1cccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1Br ZINC000450146013 566637930 /nfs/dbraw/zinc/63/79/30/566637930.db2.gz LAXYXJRUWKKKQL-UHFFFAOYSA-N 1 0 376.298 3.411 20 30 GGEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000540326814 566645116 /nfs/dbraw/zinc/64/51/16/566645116.db2.gz QRWMVMDKYNAZQO-JTQLQIEISA-N 1 0 393.119 3.494 20 30 GGEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000540323593 566645196 /nfs/dbraw/zinc/64/51/96/566645196.db2.gz INUHMKVSPILYJM-JTQLQIEISA-N 1 0 393.119 3.494 20 30 GGEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000540397465 566648857 /nfs/dbraw/zinc/64/88/57/566648857.db2.gz IZXGGRSEHDTVLI-SWLSCSKDSA-N 1 0 387.261 3.279 20 30 GGEDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505656 566650886 /nfs/dbraw/zinc/65/08/86/566650886.db2.gz BVRSLTDRZSAPJC-OSMBCOQSSA-N 1 0 377.282 3.330 20 30 GGEDRO C[N@@H+]1C[C@H](NC(=O)c2cccc(C#N)c2Br)[C@H](c2ccccc2)C1 ZINC000450293317 566654396 /nfs/dbraw/zinc/65/43/96/566654396.db2.gz YEARALSKZGRPSP-IRXDYDNUSA-N 1 0 384.277 3.148 20 30 GGEDRO C[N@@H+]1C[C@@H](NC(=O)c2cccc(C#N)c2Br)[C@@H](c2ccccc2)C1 ZINC000450293316 566654542 /nfs/dbraw/zinc/65/45/42/566654542.db2.gz YEARALSKZGRPSP-IAGOWNOFSA-N 1 0 384.277 3.148 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncc(Br)cc2C#N)[C@@H](C)C1 ZINC000450340292 566659860 /nfs/dbraw/zinc/65/98/60/566659860.db2.gz VARQVSRGZZPXSB-BBRMVZONSA-N 1 0 381.318 3.265 20 30 GGEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000580034491 566660103 /nfs/dbraw/zinc/66/01/03/566660103.db2.gz TXFWKTRGWQHICJ-UHFFFAOYSA-N 1 0 394.313 3.032 20 30 GGEDRO COc1cccc(CN(CC[NH+](C)C)c2ncc(Br)cc2C#N)c1 ZINC000450478900 566676942 /nfs/dbraw/zinc/67/69/42/566676942.db2.gz JYDFFMQXTRGOCB-UHFFFAOYSA-N 1 0 389.297 3.293 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425838907 566679262 /nfs/dbraw/zinc/67/92/62/566679262.db2.gz FFFXTZRZZQAUFQ-DOTOQJQBSA-N 1 0 393.329 3.215 20 30 GGEDRO N#Cc1ccc([C@@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C(N)=O)cc1 ZINC000514979633 566682620 /nfs/dbraw/zinc/68/26/20/566682620.db2.gz IBWDGKVVOVOBTI-GOSISDBHSA-N 1 0 397.276 3.161 20 30 GGEDRO C[C@H](CCNC(=O)COc1cccc(Br)c1C#N)[NH+]1CCCCC1 ZINC000450556434 566685010 /nfs/dbraw/zinc/68/50/10/566685010.db2.gz CICLLQHWNNBNRX-CQSZACIVSA-N 1 0 394.313 3.080 20 30 GGEDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000515166597 566696366 /nfs/dbraw/zinc/69/63/66/566696366.db2.gz WKLBYUKGCPANOO-LBPRGKRZSA-N 1 0 398.315 3.255 20 30 GGEDRO N#Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC000487901498 566696609 /nfs/dbraw/zinc/69/66/09/566696609.db2.gz VQHDLFQYZDNENM-OAHLLOKOSA-N 1 0 377.286 3.413 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000580510195 566700353 /nfs/dbraw/zinc/70/03/53/566700353.db2.gz CBPCVWZMOCHTKS-GDBMZVCRSA-N 1 0 390.325 3.264 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000468452788 566702599 /nfs/dbraw/zinc/70/25/99/566702599.db2.gz WBLBEPFAAHAOGQ-SFHVURJKSA-N 1 0 393.325 3.388 20 30 GGEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000515559474 566720761 /nfs/dbraw/zinc/72/07/61/566720761.db2.gz QMEWMURDCIUFAD-QWHCGFSZSA-N 1 0 393.333 3.141 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Br)s2)cc1 ZINC000516050501 566744503 /nfs/dbraw/zinc/74/45/03/566744503.db2.gz VDAQMRBDVHEGTQ-NWANDNLSSA-N 1 0 393.306 3.268 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451064852 566747184 /nfs/dbraw/zinc/74/71/84/566747184.db2.gz SSLCXHMUMTWBCJ-GJZGRUSLSA-N 1 0 383.945 3.052 20 30 GGEDRO N#Cc1ccc(SCC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000609126439 566751201 /nfs/dbraw/zinc/75/12/01/566751201.db2.gz KQRYDFJVDXQYJN-UHFFFAOYSA-N 1 0 375.563 3.128 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(OC)ns1 ZINC000631012290 566771163 /nfs/dbraw/zinc/77/11/63/566771163.db2.gz MLEONWJWHJPNMN-UHFFFAOYSA-N 1 0 379.555 3.250 20 30 GGEDRO Cc1ccc(Br)c(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000581365380 566771813 /nfs/dbraw/zinc/77/18/13/566771813.db2.gz QNEJIQWXPAZXAF-QGZVFWFLSA-N 1 0 389.293 3.353 20 30 GGEDRO N#CCc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000451200179 566775000 /nfs/dbraw/zinc/77/50/00/566775000.db2.gz XMDYVHFKHCQQFQ-UHFFFAOYSA-N 1 0 383.945 3.341 20 30 GGEDRO N#CCN1CCC([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000609599702 566775498 /nfs/dbraw/zinc/77/54/98/566775498.db2.gz RYLUPWYYZABNDD-UHFFFAOYSA-N 1 0 376.913 3.453 20 30 GGEDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451357010 566801618 /nfs/dbraw/zinc/80/16/18/566801618.db2.gz FYGOVLJRBCTCNY-UHFFFAOYSA-N 1 0 383.945 3.149 20 30 GGEDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000610151219 566810307 /nfs/dbraw/zinc/81/03/07/566810307.db2.gz LLNHSKVRAXLPRC-UHFFFAOYSA-N 1 0 383.945 3.344 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469879302 566823006 /nfs/dbraw/zinc/82/30/06/566823006.db2.gz FMQUTOGIFQPLNO-SQWLQELKSA-N 1 0 381.314 3.192 20 30 GGEDRO C=CCOc1c(Br)cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000469879299 566823188 /nfs/dbraw/zinc/82/31/88/566823188.db2.gz FMQUTOGIFQPLNO-OFQRWUPVSA-N 1 0 381.314 3.192 20 30 GGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000562788763 566824189 /nfs/dbraw/zinc/82/41/89/566824189.db2.gz JOFJCRXJRDQVGM-XZJROXQQSA-N 1 0 377.286 3.332 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000582156770 566835300 /nfs/dbraw/zinc/83/53/00/566835300.db2.gz GWNYAPKWQBKBKD-QGZVFWFLSA-N 1 0 376.478 3.298 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000542912742 566837851 /nfs/dbraw/zinc/83/78/51/566837851.db2.gz RVFIYENZJBXVCX-AWEZNQCLSA-N 1 0 394.294 3.034 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000470023145 566840363 /nfs/dbraw/zinc/84/03/63/566840363.db2.gz WXNYHDVDSYLOLS-CQSZACIVSA-N 1 0 383.330 3.454 20 30 GGEDRO C[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000562997816 566844271 /nfs/dbraw/zinc/84/42/71/566844271.db2.gz XIWFJPFLODHVGH-PBHICJAKSA-N 1 0 389.293 3.281 20 30 GGEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000470306101 566862121 /nfs/dbraw/zinc/86/21/21/566862121.db2.gz DNFYRVMPTHZOHO-VIFPVBQESA-N 1 0 378.108 3.068 20 30 GGEDRO COCCC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Br)cc1 ZINC000610812617 566867317 /nfs/dbraw/zinc/86/73/17/566867317.db2.gz DOHGQJJMORFURO-GOSISDBHSA-N 1 0 380.330 3.494 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 ZINC000518300321 566875266 /nfs/dbraw/zinc/87/52/66/566875266.db2.gz MVWGQFDONOWMIY-UHFFFAOYSA-N 1 0 395.688 3.302 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)CN2CCc3sc(Br)cc3C2)cc1 ZINC000610928660 566875809 /nfs/dbraw/zinc/87/58/09/566875809.db2.gz SSUNUMVJEWLHDI-CQSZACIVSA-N 1 0 393.306 3.180 20 30 GGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)CC2 ZINC000518445207 566885084 /nfs/dbraw/zinc/88/50/84/566885084.db2.gz CFHNCPQDQOEPOK-SFHVURJKSA-N 1 0 384.277 3.328 20 30 GGEDRO CCN1CC[NH+](CCCCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611094465 566888967 /nfs/dbraw/zinc/88/89/67/566888967.db2.gz KYKVDFBSNKGHKF-UHFFFAOYSA-N 1 0 383.323 3.013 20 30 GGEDRO C[N@H+](CCc1ccc(Br)cc1)CC(=O)NCc1cccc(C#N)c1 ZINC000518582207 566891931 /nfs/dbraw/zinc/89/19/31/566891931.db2.gz IYQLTKVYIORZPD-UHFFFAOYSA-N 1 0 386.293 3.111 20 30 GGEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000543754865 566907847 /nfs/dbraw/zinc/90/78/47/566907847.db2.gz XHIXDEPAQQOFEO-HNNXBMFYSA-N 1 0 380.535 3.328 20 30 GGEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611389555 566914293 /nfs/dbraw/zinc/91/42/93/566914293.db2.gz ZKJMUJACIQXXMB-GUYCJALGSA-N 1 0 375.266 3.411 20 30 GGEDRO Cc1cc(CC(C)(C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)ccc1Br ZINC000429233039 566914297 /nfs/dbraw/zinc/91/42/97/566914297.db2.gz CTAZQCGZXMAXFR-LJQANCHMSA-N 1 0 392.341 3.477 20 30 GGEDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000491832929 566917157 /nfs/dbraw/zinc/91/71/57/566917157.db2.gz UNVZECYNJNDLFV-UHFFFAOYSA-N 1 0 383.945 3.487 20 30 GGEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429273626 566919056 /nfs/dbraw/zinc/91/90/56/566919056.db2.gz NDINKWLVDXRFAC-HKUYNNGSSA-N 1 0 390.325 3.471 20 30 GGEDRO C[C@H]([NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)CCC#N ZINC000429280375 566919152 /nfs/dbraw/zinc/91/91/52/566919152.db2.gz YLRVAZJBXXSACL-BLLLJJGKSA-N 1 0 378.314 3.423 20 30 GGEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429273641 566919174 /nfs/dbraw/zinc/91/91/74/566919174.db2.gz NDINKWLVDXRFAC-PKOBYXMFSA-N 1 0 390.325 3.471 20 30 GGEDRO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000470992820 566922050 /nfs/dbraw/zinc/92/20/50/566922050.db2.gz ATPNCZFMXRXDBK-MRXNPFEDSA-N 1 0 375.822 3.491 20 30 GGEDRO N#Cc1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000611500427 566922515 /nfs/dbraw/zinc/92/25/15/566922515.db2.gz ZVPOZWDEPNRXCK-QGZVFWFLSA-N 1 0 378.314 3.007 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429309551 566922725 /nfs/dbraw/zinc/92/27/25/566922725.db2.gz RSJGHWGNQLVXIH-IAQYHMDHSA-N 1 0 394.313 3.062 20 30 GGEDRO C[C@H]([NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(C)CCC#N ZINC000429376208 566927003 /nfs/dbraw/zinc/92/70/03/566927003.db2.gz JICIYCHNMIITMW-BLLLJJGKSA-N 1 0 378.314 3.423 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)cc2F)CC1 ZINC000633042661 566931154 /nfs/dbraw/zinc/93/11/54/566931154.db2.gz UWXXKZDKLDGZTQ-UHFFFAOYSA-N 1 0 384.293 3.380 20 30 GGEDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000492295619 566931355 /nfs/dbraw/zinc/93/13/55/566931355.db2.gz PZWZZUHOJXODFB-UHFFFAOYSA-N 1 0 383.945 3.487 20 30 GGEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)C(C)C)nc2cc(Cl)ccc2c1=O ZINC000656690533 566934341 /nfs/dbraw/zinc/93/43/41/566934341.db2.gz JIHJWMMDEVJANG-CQSZACIVSA-N 1 0 381.929 3.029 20 30 GGEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129734 566941504 /nfs/dbraw/zinc/94/15/04/566941504.db2.gz XWGRYBQHYXOKPL-XEZPLFJOSA-N 1 0 376.298 3.123 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2sccc2Br)cc1 ZINC000519637609 566955318 /nfs/dbraw/zinc/95/53/18/566955318.db2.gz JSJKRPQQCORJHT-CYBMUJFWSA-N 1 0 381.295 3.106 20 30 GGEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000519670715 566956798 /nfs/dbraw/zinc/95/67/98/566956798.db2.gz GVOBIFKBTQJDRW-HNNXBMFYSA-N 1 0 378.263 3.337 20 30 GGEDRO N#Cc1c(Br)cccc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000519677619 566957847 /nfs/dbraw/zinc/95/78/47/566957847.db2.gz UCKWPXXVLGXISG-INIZCTEOSA-N 1 0 386.293 3.499 20 30 GGEDRO C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@@H+](C2CCC2)C1 ZINC000452319828 566963093 /nfs/dbraw/zinc/96/30/93/566963093.db2.gz GJXIQDQQKWXAQF-CYBMUJFWSA-N 1 0 376.298 3.267 20 30 GGEDRO CN(Cc1ccc(Br)c(F)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494292387 566984973 /nfs/dbraw/zinc/98/49/73/566984973.db2.gz FPOHZXJLZWOLKN-MRXNPFEDSA-N 1 0 376.229 3.118 20 30 GGEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2ccn(C)n2)cc1OC ZINC000544836248 566999398 /nfs/dbraw/zinc/99/93/98/566999398.db2.gz YAXQAWKUHFWXOT-UHFFFAOYSA-N 1 0 380.286 3.088 20 30 GGEDRO C=CC[C@@H](CO)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000544832646 566999679 /nfs/dbraw/zinc/99/96/79/566999679.db2.gz MYDKPQNTTIMQSU-OAHLLOKOSA-N 1 0 395.341 3.136 20 30 GGEDRO C=CCc1cc(C[N@H+](C)CCn2cc(Br)cn2)cc(OC)c1O ZINC000584081526 567010623 /nfs/dbraw/zinc/01/06/23/567010623.db2.gz ZELQMQVECOLULW-UHFFFAOYSA-N 1 0 380.286 3.220 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681990226 567019465 /nfs/dbraw/zinc/01/94/65/567019465.db2.gz PZUWRBGCIQNCIB-UHFFFAOYSA-N 1 0 389.297 3.163 20 30 GGEDRO N#CCCC1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000564916326 567019786 /nfs/dbraw/zinc/01/97/86/567019786.db2.gz LPDZQHVJRYWBBP-INIZCTEOSA-N 1 0 385.277 3.344 20 30 GGEDRO C[C@](CO)([NH2+]CCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000682528289 567056689 /nfs/dbraw/zinc/05/66/89/567056689.db2.gz VIFDMPRMSWZFQJ-CYBMUJFWSA-N 1 0 377.300 3.420 20 30 GGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453340615 567076940 /nfs/dbraw/zinc/07/69/40/567076940.db2.gz HURUKNKHDZLWPK-FZQKWOKYSA-N 1 0 379.309 3.025 20 30 GGEDRO N#Cc1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000585718460 567082511 /nfs/dbraw/zinc/08/25/11/567082511.db2.gz HLVNFFLFGBDVGV-QGZVFWFLSA-N 1 0 378.314 3.007 20 30 GGEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Br)o3)CC2)c1 ZINC000586048408 567090550 /nfs/dbraw/zinc/09/05/50/567090550.db2.gz WSAIFHMWIYTIPQ-UHFFFAOYSA-N 1 0 388.265 3.308 20 30 GGEDRO C=C[C@H](CO)[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000657793782 567096498 /nfs/dbraw/zinc/09/64/98/567096498.db2.gz UHDUWXOOZVCADD-SNVBAGLBSA-N 1 0 379.092 3.247 20 30 GGEDRO N#Cc1cc(Br)ccc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000588198361 567120664 /nfs/dbraw/zinc/12/06/64/567120664.db2.gz GELCHGGDHXVLRC-GOSISDBHSA-N 1 0 378.314 3.007 20 30 GGEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636875186 567169522 /nfs/dbraw/zinc/16/95/22/567169522.db2.gz XDVQVDBXMLBNGO-OAHLLOKOSA-N 1 0 384.293 3.428 20 30 GGEDRO Cn1c(Sc2cc(Br)c(C#N)cc2F)nnc1C1CC[NH2+]CC1 ZINC000566749021 567187327 /nfs/dbraw/zinc/18/73/27/567187327.db2.gz UNFHCSJIAPMYAK-UHFFFAOYSA-N 1 0 396.289 3.207 20 30 GGEDRO C=CC[NH+]1CCC(NCc2c(F)ccc(I)c2F)CC1 ZINC000474705028 567194305 /nfs/dbraw/zinc/19/43/05/567194305.db2.gz BSWVLTPKMBOKQM-UHFFFAOYSA-N 1 0 392.231 3.309 20 30 GGEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433283943 567239063 /nfs/dbraw/zinc/23/90/63/567239063.db2.gz DFPHKYFKWOEPKD-INIZCTEOSA-N 1 0 378.314 3.076 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433302826 567240416 /nfs/dbraw/zinc/24/04/16/567240416.db2.gz JSFIVUAXMDZTDX-INIZCTEOSA-N 1 0 378.314 3.076 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433302983 567240525 /nfs/dbraw/zinc/24/05/25/567240525.db2.gz JSFIVUAXMDZTDX-MRXNPFEDSA-N 1 0 378.314 3.076 20 30 GGEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433303732 567240738 /nfs/dbraw/zinc/24/07/38/567240738.db2.gz LZCLKHJPEXLBST-GOEBONIOSA-N 1 0 378.314 3.074 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433306462 567241921 /nfs/dbraw/zinc/24/19/21/567241921.db2.gz SDGIGRKBPDNLNK-WBVHZDCISA-N 1 0 392.341 3.322 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000567418779 567244976 /nfs/dbraw/zinc/24/49/76/567244976.db2.gz SVODKSSZJIHGPP-QGZVFWFLSA-N 1 0 376.478 3.298 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475562928 567257669 /nfs/dbraw/zinc/25/76/69/567257669.db2.gz AIWPNVLFSOGDHF-GASCZTMLSA-N 1 0 383.945 3.248 20 30 GGEDRO C=CCN1CC[C@@H]([NH+]2CCC(Oc3cccc(Br)c3)CC2)C1=O ZINC000499627768 567261926 /nfs/dbraw/zinc/26/19/26/567261926.db2.gz UUIBNGNGKQUJHL-QGZVFWFLSA-N 1 0 379.298 3.079 20 30 GGEDRO N#CC1(CCC[N@@H+](CCO)Cc2ccc(Br)s2)CCOCC1 ZINC000499720466 567268219 /nfs/dbraw/zinc/26/82/19/567268219.db2.gz SOMAIVUIBFMKAT-UHFFFAOYSA-N 1 0 387.343 3.405 20 30 GGEDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475802204 567278298 /nfs/dbraw/zinc/27/82/98/567278298.db2.gz XPCDELILLZLKSJ-UHFFFAOYSA-N 1 0 383.945 3.344 20 30 GGEDRO C=CCN1CC[C@H]([N@@H+](C)CCCc2ccc(Br)cc2OC)C1=O ZINC000499936558 567285390 /nfs/dbraw/zinc/28/53/90/567285390.db2.gz AMVQTUNXWDOKCI-INIZCTEOSA-N 1 0 381.314 3.109 20 30 GGEDRO C=CCCOCC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000639087328 567286567 /nfs/dbraw/zinc/28/65/67/567286567.db2.gz AKQGJKCBMPQISK-UHFFFAOYSA-N 1 0 395.341 3.465 20 30 GGEDRO N#Cc1ccc(Br)c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000617194769 567289798 /nfs/dbraw/zinc/28/97/98/567289798.db2.gz BFNVDCUTDCCLJK-KRWDZBQOSA-N 1 0 378.314 3.007 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)C(C)C ZINC000591643547 567290268 /nfs/dbraw/zinc/29/02/68/567290268.db2.gz XAFMIYJNTNACJT-AWEZNQCLSA-N 1 0 395.345 3.478 20 30 GGEDRO Cc1cc(Br)ccc1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000591734867 567293890 /nfs/dbraw/zinc/29/38/90/567293890.db2.gz IHDLKPNRRGYIKE-SFHVURJKSA-N 1 0 389.293 3.353 20 30 GGEDRO Cc1cccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)c1Br ZINC000591762890 567294734 /nfs/dbraw/zinc/29/47/34/567294734.db2.gz AQRJSJKOZFFJSJ-INIZCTEOSA-N 1 0 375.266 3.159 20 30 GGEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)C2CC2)nnc1-c1cccc(Cl)c1 ZINC000685910173 567310615 /nfs/dbraw/zinc/31/06/15/567310615.db2.gz OKUZKJISACBSJJ-MRXNPFEDSA-N 1 0 378.929 3.332 20 30 GGEDRO N#CC1(NC(=O)CN2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000527127982 567315352 /nfs/dbraw/zinc/31/53/52/567315352.db2.gz MUJPWSRFGNBBHH-UHFFFAOYSA-N 1 0 381.307 3.068 20 30 GGEDRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151030 567318300 /nfs/dbraw/zinc/31/83/00/567318300.db2.gz JISOKZRBMZASIS-GOSISDBHSA-N 1 0 394.313 3.135 20 30 GGEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 ZINC000592156262 567318805 /nfs/dbraw/zinc/31/88/05/567318805.db2.gz WANIJQHGFPVJDV-QGZVFWFLSA-N 1 0 398.304 3.459 20 30 GGEDRO CCOc1cc(C#N)cc(Br)c1OCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356732 567332261 /nfs/dbraw/zinc/33/22/61/567332261.db2.gz GXWRPDMNRNXLHF-GFCCVEGCSA-N 1 0 393.241 3.106 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CCC1 ZINC000527377111 567334911 /nfs/dbraw/zinc/33/49/11/567334911.db2.gz LMMNSQXSQWCXHY-MRXNPFEDSA-N 1 0 380.261 3.191 20 30 GGEDRO Cc1cc(SCC(=O)N[C@@](C)(C#N)CN(C)C)c(C)cc1Br ZINC000568638030 567344792 /nfs/dbraw/zinc/34/47/92/567344792.db2.gz JYUAKCMZSALEMT-INIZCTEOSA-N 1 0 384.343 3.118 20 30 GGEDRO C=CCN(Cc1nc(Cc2cccc(Br)c2)no1)[C@@H](C)COC ZINC000661243680 567360550 /nfs/dbraw/zinc/36/05/50/567360550.db2.gz MMYNYLSKVOUOKV-ZDUSSCGKSA-N 1 0 380.286 3.446 20 30 GGEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000548932110 567362079 /nfs/dbraw/zinc/36/20/79/567362079.db2.gz QVCKVMBNZVJJDK-CYBMUJFWSA-N 1 0 393.306 3.445 20 30 GGEDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435431996 567364169 /nfs/dbraw/zinc/36/41/69/567364169.db2.gz LIJKQKPIKTUXPS-UHFFFAOYSA-N 1 0 377.535 3.152 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCOc3ccc(Br)cc3C2)CC1 ZINC000549272958 567384442 /nfs/dbraw/zinc/38/44/42/567384442.db2.gz KRQFUNZRRFTJGD-UHFFFAOYSA-N 1 0 394.313 3.004 20 30 GGEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(Br)cn3)CC2)c1 ZINC000593352772 567409041 /nfs/dbraw/zinc/40/90/41/567409041.db2.gz BKESHOMXUWFQGJ-UHFFFAOYSA-N 1 0 399.292 3.110 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000436307135 567419036 /nfs/dbraw/zinc/41/90/36/567419036.db2.gz JYYOOEZUPXIYDE-USBNGQNGSA-N 1 0 393.336 3.273 20 30 GGEDRO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000593989028 567450349 /nfs/dbraw/zinc/45/03/49/567450349.db2.gz XOUCMTAFZOUJFV-CQSZACIVSA-N 1 0 378.314 3.006 20 30 GGEDRO COC[C@]1([NH2+]Cc2ccc(C#N)cc2Br)COc2ccccc2C1 ZINC000528747501 567452729 /nfs/dbraw/zinc/45/27/29/567452729.db2.gz MRQDPTYHSPHBSP-IBGZPJMESA-N 1 0 387.277 3.431 20 30 GGEDRO CC(=O)NCC[N@H+](CCCSCC#N)Cc1ccc(Br)s1 ZINC000503213252 567474106 /nfs/dbraw/zinc/47/41/06/567474106.db2.gz XMTUBRNTKKLOKY-UHFFFAOYSA-N 1 0 390.372 3.096 20 30 GGEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000570325760 567476207 /nfs/dbraw/zinc/47/62/07/567476207.db2.gz XCXZYMDQRRXNCC-MSOLQXFVSA-N 1 0 398.320 3.225 20 30 GGEDRO C[NH+]1CCC(N2CC[C@@H](Nc3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000594555627 567484868 /nfs/dbraw/zinc/48/48/68/567484868.db2.gz AZUNAHGCBMGIOG-CYBMUJFWSA-N 1 0 381.293 3.040 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503447852 567485963 /nfs/dbraw/zinc/48/59/63/567485963.db2.gz OGIMWROEOLDQPC-GASCZTMLSA-N 1 0 383.945 3.248 20 30 GGEDRO Cc1c(Br)cccc1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000594570588 567486819 /nfs/dbraw/zinc/48/68/19/567486819.db2.gz QISHYYGCGPWMBY-INIZCTEOSA-N 1 0 375.266 3.159 20 30 GGEDRO CC[NH+](CC)CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)o1 ZINC000594730791 567505079 /nfs/dbraw/zinc/50/50/79/567505079.db2.gz PDAZJLNCRIMSSK-UHFFFAOYSA-N 1 0 381.885 3.342 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000594758753 567507672 /nfs/dbraw/zinc/50/76/72/567507672.db2.gz DZNWXUVNRQJKFF-UHFFFAOYSA-N 1 0 377.535 3.044 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000594757646 567508334 /nfs/dbraw/zinc/50/83/34/567508334.db2.gz HMTNNIAJJFAHDU-WBMJQRKESA-N 1 0 377.535 3.042 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000594769206 567510344 /nfs/dbraw/zinc/51/03/44/567510344.db2.gz DKSDNACFEXIJSE-HNNXBMFYSA-N 1 0 377.535 3.186 20 30 GGEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)CC1(C#N)CC1 ZINC000594840664 567518800 /nfs/dbraw/zinc/51/88/00/567518800.db2.gz LGZNSSQYEVNFPW-UHFFFAOYSA-N 1 0 383.945 3.117 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000551716231 567531605 /nfs/dbraw/zinc/53/16/05/567531605.db2.gz QMLZOERTPVVPDD-GUYCJALGSA-N 1 0 378.314 3.474 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000458337511 567540106 /nfs/dbraw/zinc/54/01/06/567540106.db2.gz QNQSPYPEHJSGNK-KRWDZBQOSA-N 1 0 393.329 3.341 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000595109324 567541712 /nfs/dbraw/zinc/54/17/12/567541712.db2.gz AONUSLXVLWYUBE-JMSVASOKSA-N 1 0 377.535 3.075 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000595112630 567541736 /nfs/dbraw/zinc/54/17/36/567541736.db2.gz WNVJGHDUHXJHPX-HDJSIYSDSA-N 1 0 377.535 3.125 20 30 GGEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000595346375 567556834 /nfs/dbraw/zinc/55/68/34/567556834.db2.gz VBWJJAMXLIWYPA-OAHLLOKOSA-N 1 0 377.535 3.186 20 30 GGEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(Br)cc1Br ZINC000552097433 567559200 /nfs/dbraw/zinc/55/92/00/567559200.db2.gz BPJGBJORXVXSHW-VIFPVBQESA-N 1 0 399.090 3.026 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1oc2ccccc2c1Br ZINC000595397528 567562122 /nfs/dbraw/zinc/56/21/22/567562122.db2.gz KSJOKGNISSCRKL-UHFFFAOYSA-N 1 0 388.269 3.267 20 30 GGEDRO N#CC[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614282 567573895 /nfs/dbraw/zinc/57/38/95/567573895.db2.gz JQFDWSRUBVVLHP-JSGCOSHPSA-N 1 0 387.705 3.468 20 30 GGEDRO N#Cc1ncn(CC[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)n1 ZINC000552333644 567578786 /nfs/dbraw/zinc/57/87/86/567578786.db2.gz KPKBMIATQGANGN-SFHVURJKSA-N 1 0 382.265 3.291 20 30 GGEDRO N#Cc1cc(F)c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Br ZINC000571656716 567579673 /nfs/dbraw/zinc/57/96/73/567579673.db2.gz DKLSJWTZXYDXQO-CQSZACIVSA-N 1 0 382.277 3.151 20 30 GGEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439316043 567581725 /nfs/dbraw/zinc/58/17/25/567581725.db2.gz KGFYBUGAMNVCDV-CQSZACIVSA-N 1 0 378.314 3.389 20 30 GGEDRO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000571865179 567595450 /nfs/dbraw/zinc/59/54/50/567595450.db2.gz FGTIMYKRCOHIFE-HNNXBMFYSA-N 1 0 378.314 3.348 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3nc(C#N)c(Cl)s3)cc2)C[C@@H](C)O1 ZINC000596077670 567606640 /nfs/dbraw/zinc/60/66/40/567606640.db2.gz AKSHVXYBOWJHTN-CHWSQXEVSA-N 1 0 376.913 3.311 20 30 GGEDRO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000440079279 567615446 /nfs/dbraw/zinc/61/54/46/567615446.db2.gz XFENVMPMQBNUOF-FZKQIMNGSA-N 1 0 377.897 3.181 20 30 GGEDRO C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000440079282 567615903 /nfs/dbraw/zinc/61/59/03/567615903.db2.gz XFENVMPMQBNUOF-UGSOOPFHSA-N 1 0 377.897 3.181 20 30 GGEDRO N#Cc1ccc(CN2CCC(CC[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000480780180 567631409 /nfs/dbraw/zinc/63/14/09/567631409.db2.gz NDASXZNKJITRMS-UHFFFAOYSA-N 1 0 392.341 3.255 20 30 GGEDRO COc1cc(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)ccc1C#N ZINC000440798883 567643553 /nfs/dbraw/zinc/64/35/53/567643553.db2.gz AACFRGRQCGUWFR-CQSZACIVSA-N 1 0 381.259 3.403 20 30 GGEDRO COc1cc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)ccc1C#N ZINC000440824859 567645385 /nfs/dbraw/zinc/64/53/85/567645385.db2.gz IWPRHGJGEWHMKW-UHFFFAOYSA-N 1 0 388.265 3.366 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000459661789 567647552 /nfs/dbraw/zinc/64/75/52/567647552.db2.gz RVIBQISYGCIGBK-DOMZBBRYSA-N 1 0 380.286 3.182 20 30 GGEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)cc1 ZINC000459689036 567649920 /nfs/dbraw/zinc/64/99/20/567649920.db2.gz DVQVUUZQWTWELU-INIZCTEOSA-N 1 0 377.257 3.401 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)Cn1ccnc1 ZINC000459718714 567654547 /nfs/dbraw/zinc/65/45/47/567654547.db2.gz SODYYGNEEOHZFX-LBPRGKRZSA-N 1 0 379.258 3.421 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1c(Cl)cccc1Br ZINC000596925968 567665363 /nfs/dbraw/zinc/66/53/63/567665363.db2.gz KIWNOLMILUAUNQ-UHFFFAOYSA-N 1 0 386.721 3.339 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccncc1Br)C(C)C ZINC000507230510 567667984 /nfs/dbraw/zinc/66/79/84/567667984.db2.gz IAEKWCQBQBXJLL-INIZCTEOSA-N 1 0 381.318 3.086 20 30 GGEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000507243332 567669355 /nfs/dbraw/zinc/66/93/55/567669355.db2.gz LPIMLDISHHCHDJ-LBPRGKRZSA-N 1 0 398.315 3.494 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000507277679 567672028 /nfs/dbraw/zinc/67/20/28/567672028.db2.gz INACXJVSFOQTEL-KBPBESRZSA-N 1 0 383.945 3.246 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000507277683 567672087 /nfs/dbraw/zinc/67/20/87/567672087.db2.gz INACXJVSFOQTEL-OKILXGFUSA-N 1 0 383.945 3.246 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cncc(Br)c1 ZINC000572900543 567674193 /nfs/dbraw/zinc/67/41/93/567674193.db2.gz INPCQYHKCMABKY-SCLBCKFNSA-N 1 0 399.292 3.167 20 30 GGEDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000573009683 567681254 /nfs/dbraw/zinc/68/12/54/567681254.db2.gz QONSYCSZJRBFLJ-UHFFFAOYSA-N 1 0 383.945 3.488 20 30 GGEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2ccc(Br)cc2C#N)C[C@@H](C)O1 ZINC000553863389 567693128 /nfs/dbraw/zinc/69/31/28/567693128.db2.gz PWDJMYNKTKHGIC-SPYBWZPUSA-N 1 0 392.341 3.394 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000553863390 567693518 /nfs/dbraw/zinc/69/35/18/567693518.db2.gz PWDJMYNKTKHGIC-ZRGWGRIASA-N 1 0 392.341 3.394 20 30 GGEDRO C=CCOc1c(Cl)cc(C[NH2+]CCNC(=O)c2cccs2)cc1OC ZINC000623360839 567704804 /nfs/dbraw/zinc/70/48/04/567704804.db2.gz AHUDZZPVPLPDQE-UHFFFAOYSA-N 1 0 380.897 3.495 20 30 GGEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000623428526 567708587 /nfs/dbraw/zinc/70/85/87/567708587.db2.gz NQGRGVCXJYIYCV-HUUCEWRRSA-N 1 0 387.929 3.359 20 30 GGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000532498246 567719642 /nfs/dbraw/zinc/71/96/42/567719642.db2.gz MWKNJEWWZXTOMO-YDHLFZDLSA-N 1 0 389.277 3.221 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000554916386 567756092 /nfs/dbraw/zinc/75/60/92/567756092.db2.gz JMMCJHYYFJPOQU-KRWDZBQOSA-N 1 0 377.897 3.101 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000554919232 567756859 /nfs/dbraw/zinc/75/68/59/567756859.db2.gz PWTWFXPKABUTJK-QGZVFWFLSA-N 1 0 377.897 3.101 20 30 GGEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000574221848 567763908 /nfs/dbraw/zinc/76/39/08/567763908.db2.gz QJVPLLVQCYBZFY-RDTXWAMCSA-N 1 0 389.293 3.281 20 30 GGEDRO C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667674188 567764032 /nfs/dbraw/zinc/76/40/32/567764032.db2.gz CWYITIDUPBAKLI-WFASDCNBSA-N 1 0 380.286 3.230 20 30 GGEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000574221846 567764325 /nfs/dbraw/zinc/76/43/25/567764325.db2.gz QJVPLLVQCYBZFY-KDOFPFPSSA-N 1 0 389.293 3.281 20 30 GGEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000574221847 567764434 /nfs/dbraw/zinc/76/44/34/567764434.db2.gz QJVPLLVQCYBZFY-KSSFIOAISA-N 1 0 389.293 3.281 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000533627592 567778767 /nfs/dbraw/zinc/77/87/67/567778767.db2.gz MMSOUTPJNOYJIZ-ZDUSSCGKSA-N 1 0 398.320 3.469 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(F)ccc2Br)cc1 ZINC000555338491 567780419 /nfs/dbraw/zinc/78/04/19/567780419.db2.gz FPWJHVXWUSRJGX-MRXNPFEDSA-N 1 0 393.256 3.184 20 30 GGEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Br)cc1OCCCO ZINC000598620100 567780390 /nfs/dbraw/zinc/78/03/90/567780390.db2.gz YJAXGEUZECCLLR-UKRRQHHQSA-N 1 0 399.329 3.162 20 30 GGEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000598720405 567785720 /nfs/dbraw/zinc/78/57/20/567785720.db2.gz MWGBIQAVFBNIOD-WMLDXEAASA-N 1 0 380.330 3.166 20 30 GGEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000598724496 567785920 /nfs/dbraw/zinc/78/59/20/567785920.db2.gz OUJKNDNDRSXTHL-NSHDSACASA-N 1 0 392.668 3.335 20 30 GGEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)cc1OC ZINC000647532998 567789692 /nfs/dbraw/zinc/78/96/92/567789692.db2.gz JKGRVJVXKQMKKJ-GDBMZVCRSA-N 1 0 381.314 3.206 20 30 GGEDRO CC(C)[NH+]1CCC(N2CCN(c3ccc(C#N)cc3Br)CC2)CC1 ZINC000534142353 567801237 /nfs/dbraw/zinc/80/12/37/567801237.db2.gz KBRJXJITOYONNR-UHFFFAOYSA-N 1 0 391.357 3.316 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(Br)cc3)no2)CC1 ZINC000668370495 567808724 /nfs/dbraw/zinc/80/87/24/567808724.db2.gz YOLOWRLTSRBAOI-UHFFFAOYSA-N 1 0 390.281 3.484 20 30 GGEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000534420022 567811434 /nfs/dbraw/zinc/81/14/34/567811434.db2.gz BPWWLXBKNOVQAB-UHFFFAOYSA-N 1 0 390.203 3.186 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000032831181 570845052 /nfs/dbraw/zinc/84/50/52/570845052.db2.gz AZQHXPBRXMNQDN-CALCHBBNSA-N 1 0 378.476 3.489 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[nH]n1)C(C)C ZINC000735419268 599041206 /nfs/dbraw/zinc/04/12/06/599041206.db2.gz RGOAVFPEWKBPCS-AWEZNQCLSA-N 1 0 395.433 3.391 20 30 GGEDRO C=CC1CC[NH+](CC(=O)Nc2c(-c3nn[nH]n3)c(C)c(C)n2C2CCCC2)CC1 ZINC000735409828 598704595 /nfs/dbraw/zinc/70/45/95/598704595.db2.gz MDLPSFNSSFLOJA-UHFFFAOYSA-N 1 0 397.527 3.237 20 30 GGEDRO C[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736197882 599307427 /nfs/dbraw/zinc/30/74/27/599307427.db2.gz CPDHVZYNCQZTRA-SJORKVTESA-N 1 0 387.491 3.178 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820413514 599389434 /nfs/dbraw/zinc/38/94/34/599389434.db2.gz RGGLUNWNOYWPFY-NWDGAFQWSA-N 1 0 395.854 3.070 20 30 GGEDRO C=CCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000735413431 599475839 /nfs/dbraw/zinc/47/58/39/599475839.db2.gz UYJBKKNMNUIIDF-UHFFFAOYSA-N 1 0 388.541 3.424 20 30 GGEDRO C=CCCC[N@@H+](C)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1 ZINC000735413250 599476400 /nfs/dbraw/zinc/47/64/00/599476400.db2.gz QYRBRDCVSNYKLL-UHFFFAOYSA-N 1 0 385.516 3.237 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1OC ZINC000823931597 607703990 /nfs/dbraw/zinc/70/39/90/607703990.db2.gz AITGYXDLIYOPMV-UHFFFAOYSA-N 1 0 377.448 3.219 20 30 GGEDRO N#Cc1ccc(C2=CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826384618 608464658 /nfs/dbraw/zinc/46/46/58/608464658.db2.gz CLKYHNDZWFJZNG-UHFFFAOYSA-N 1 0 386.459 3.297 20 30 GGEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)cc1 ZINC000826385024 608467934 /nfs/dbraw/zinc/46/79/34/608467934.db2.gz UJKLYCMGHYRKGS-UHFFFAOYSA-N 1 0 381.443 3.280 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000053232052 1406335530 /nfs/dbraw/zinc/33/55/30/1406335530.db2.gz PJNCFNITAGKSEK-RBBKRZOGSA-N 1 0 384.451 3.118 20 30 GGEDRO CC(C)CC[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000053366056 1406378109 /nfs/dbraw/zinc/37/81/09/1406378109.db2.gz GHBUAFKNAWUAAC-QGZVFWFLSA-N 1 0 386.540 3.334 20 30 GGEDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c(OC)c1 ZINC000053420193 1406390547 /nfs/dbraw/zinc/39/05/47/1406390547.db2.gz OOLWXRFYRNNNGE-PGRDOPGGSA-N 1 0 396.487 3.347 20 30 GGEDRO Cc1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)ccc1N1CC[NH+](C)CC1 ZINC000053474284 1406407889 /nfs/dbraw/zinc/40/78/89/1406407889.db2.gz FKTKFQKHKQRUIH-KRWDZBQOSA-N 1 0 378.476 3.025 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000053996881 1406582571 /nfs/dbraw/zinc/58/25/71/1406582571.db2.gz DTEZXICRXNRHKU-UHFFFAOYSA-N 1 0 393.487 3.201 20 30 GGEDRO CC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340228 1406695616 /nfs/dbraw/zinc/69/56/16/1406695616.db2.gz ISFQUMJVKXDTIT-KRWDZBQOSA-N 1 0 378.476 3.357 20 30 GGEDRO CC[N@H+](CC(=O)N1CCN(Cc2cccs2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340804 1406695728 /nfs/dbraw/zinc/69/57/28/1406695728.db2.gz DYWHMHLAKBXTPX-SFHVURJKSA-N 1 0 396.560 3.347 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000054376973 1406708702 /nfs/dbraw/zinc/70/87/02/1406708702.db2.gz IYPRCRIIANFNRV-UHFFFAOYSA-N 1 0 378.432 3.027 20 30 GGEDRO CC(C)C[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000054428051 1406733440 /nfs/dbraw/zinc/73/34/40/1406733440.db2.gz VGOGMMYWMXZWCF-INIZCTEOSA-N 1 0 388.581 3.347 20 30 GGEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccccc1OC ZINC000054425656 1406730514 /nfs/dbraw/zinc/73/05/14/1406730514.db2.gz VBIOJXGNBUIMSQ-UHFFFAOYSA-N 1 0 394.475 3.246 20 30 GGEDRO COc1ccc(OCC[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000054426876 1406732552 /nfs/dbraw/zinc/73/25/52/1406732552.db2.gz BSKFSOZWZIHWEO-UHFFFAOYSA-N 1 0 399.516 3.456 20 30 GGEDRO CCOc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054604234 1406780668 /nfs/dbraw/zinc/78/06/68/1406780668.db2.gz CNSGNSSAPJJWJU-UHFFFAOYSA-N 1 0 392.503 3.374 20 30 GGEDRO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054642644 1406793054 /nfs/dbraw/zinc/79/30/54/1406793054.db2.gz RFIWVMOTRKEQBN-LJQANCHMSA-N 1 0 388.515 3.044 20 30 GGEDRO Cc1noc(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)n1 ZINC000054678755 1406804229 /nfs/dbraw/zinc/80/42/29/1406804229.db2.gz QJKQNCKMDYWBGE-UHFFFAOYSA-N 1 0 399.520 3.398 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc4cccnc43)CC2)cc1 ZINC000054813382 1406830649 /nfs/dbraw/zinc/83/06/49/1406830649.db2.gz SRZRCEQCBOFETB-UHFFFAOYSA-N 1 0 384.483 3.383 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000054945972 1406855578 /nfs/dbraw/zinc/85/55/78/1406855578.db2.gz YBJCQPYKBKNOHG-OKILXGFUSA-N 1 0 390.915 3.023 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000054947148 1406856207 /nfs/dbraw/zinc/85/62/07/1406856207.db2.gz VXCCPAYXYZZWJE-OKILXGFUSA-N 1 0 390.915 3.023 20 30 GGEDRO CC(C)NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(N(C)C)cc1 ZINC000055009729 1406869670 /nfs/dbraw/zinc/86/96/70/1406869670.db2.gz HHEMYJUSGRSPDV-UHFFFAOYSA-O 1 0 378.468 3.255 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccccc1CC ZINC000055009868 1406869793 /nfs/dbraw/zinc/86/97/93/1406869793.db2.gz PGVPRXUIMAQMGG-UHFFFAOYSA-O 1 0 397.520 3.412 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCC(=O)N3)C(=S)NC(C)(C)C)c1 ZINC000055014144 1406870338 /nfs/dbraw/zinc/87/03/38/1406870338.db2.gz ZWLAIMIZUMVUQE-UHFFFAOYSA-O 1 0 396.536 3.494 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccccc1C)[n+]1ccc2c(c1)CCCC2 ZINC000055012609 1406870345 /nfs/dbraw/zinc/87/03/45/1406870345.db2.gz MQGXTLJGJUWYTK-UHFFFAOYSA-O 1 0 383.537 3.336 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1cccc(CO)c1 ZINC000055011243 1406870358 /nfs/dbraw/zinc/87/03/58/1406870358.db2.gz NVRFSBABSYUBRR-UHFFFAOYSA-O 1 0 383.537 3.379 20 30 GGEDRO CC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(CO)c1 ZINC000055014430 1406871038 /nfs/dbraw/zinc/87/10/38/1406871038.db2.gz XNMXYEARGASAIT-UHFFFAOYSA-O 1 0 383.537 3.282 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NC(C)(C)C)[n+]1ccc(N(C)C)cc1 ZINC000055014352 1406871088 /nfs/dbraw/zinc/87/10/88/1406871088.db2.gz SJMFOVWSVIMIIX-UHFFFAOYSA-O 1 0 386.541 3.376 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055030281 1406873386 /nfs/dbraw/zinc/87/33/86/1406873386.db2.gz DEBBBXHLYVQQSG-UHFFFAOYSA-N 1 0 397.504 3.234 20 30 GGEDRO CCN(C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000055106147 1406886311 /nfs/dbraw/zinc/88/63/11/1406886311.db2.gz YJIHWYSZMNWJTM-UHFFFAOYSA-N 1 0 382.552 3.247 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)cc1 ZINC000055172102 1406897484 /nfs/dbraw/zinc/89/74/84/1406897484.db2.gz HARSLMQLZUSBAO-PKTZIBPZSA-N 1 0 394.563 3.247 20 30 GGEDRO C[C@H](C(=O)NCCC1=CCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172698 1406897730 /nfs/dbraw/zinc/89/77/30/1406897730.db2.gz BUFLMXADYXUCLF-HXUWFJFHSA-N 1 0 394.563 3.461 20 30 GGEDRO CC(C)(C#N)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055341160 1406934691 /nfs/dbraw/zinc/93/46/91/1406934691.db2.gz NOUKTCCSSFBOQK-UHFFFAOYSA-N 1 0 376.504 3.175 20 30 GGEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2C#N)CC1 ZINC000005172779 1398418283 /nfs/dbraw/zinc/41/82/83/1398418283.db2.gz ZFLBPKQXZMDMLH-UHFFFAOYSA-N 1 0 398.894 3.371 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000055471985 1406974943 /nfs/dbraw/zinc/97/49/43/1406974943.db2.gz DMVUZZZOBNRWIB-OAQYLSRUSA-N 1 0 378.472 3.087 20 30 GGEDRO C=CCOc1ccc(/C=C/C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000008122129 1398806263 /nfs/dbraw/zinc/80/62/63/1398806263.db2.gz XJUJLBNRCXCEQQ-FNORWQNLSA-N 1 0 379.460 3.017 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000015317854 1399153764 /nfs/dbraw/zinc/15/37/64/1399153764.db2.gz BNKNBFXWIPIUGY-HNNXBMFYSA-N 1 0 398.894 3.369 20 30 GGEDRO CC(C)(CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[NH+]1CCCCC1 ZINC000055574818 1407009448 /nfs/dbraw/zinc/00/94/48/1407009448.db2.gz LBRLJOZXDLYQPU-UHFFFAOYSA-N 1 0 389.443 3.120 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)NCCc3ccccc3)CC2)cc1 ZINC000017517643 1399284073 /nfs/dbraw/zinc/28/40/73/1399284073.db2.gz SBJKUTSNUIHNBI-UHFFFAOYSA-N 1 0 378.545 3.183 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000017911440 1399294189 /nfs/dbraw/zinc/29/41/89/1399294189.db2.gz OKSJCJPTFMTSQY-VGOFRKELSA-N 1 0 393.487 3.287 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)COc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000018020407 1399296910 /nfs/dbraw/zinc/29/69/10/1399296910.db2.gz JQJHDFWADGBLRR-JOCHJYFZSA-N 1 0 393.487 3.289 20 30 GGEDRO COc1ccc([C@H](CNC(=O)COc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000018020409 1399297009 /nfs/dbraw/zinc/29/70/09/1399297009.db2.gz JQJHDFWADGBLRR-QFIPXVFZSA-N 1 0 393.487 3.289 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022014858 1399431261 /nfs/dbraw/zinc/43/12/61/1399431261.db2.gz FWJXPZHIKGFAGD-MRXNPFEDSA-N 1 0 382.489 3.299 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(N(C)C)cc1 ZINC000022687414 1399491538 /nfs/dbraw/zinc/49/15/38/1399491538.db2.gz QOFOGNHLMUCIMZ-UHFFFAOYSA-O 1 0 376.452 3.033 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(N(C)C)cc1 ZINC000022687496 1399491785 /nfs/dbraw/zinc/49/17/85/1399491785.db2.gz YWTOUUUCOLDPRQ-UHFFFAOYSA-O 1 0 376.452 3.033 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1 ZINC000022792683 1399504168 /nfs/dbraw/zinc/50/41/68/1399504168.db2.gz ALZWJDKRPNGBDH-UHFFFAOYSA-O 1 0 384.308 3.456 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)NCCOC)[n+]2ccc(CC)cc2)cc1 ZINC000022793949 1399504179 /nfs/dbraw/zinc/50/41/79/1399504179.db2.gz PIQNYJJEGQZHKI-UHFFFAOYSA-O 1 0 387.525 3.110 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(N(C)C)cc1 ZINC000022797413 1399505080 /nfs/dbraw/zinc/50/50/80/1399505080.db2.gz CGKVBRFOGZAEDS-UHFFFAOYSA-O 1 0 390.479 3.423 20 30 GGEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022803374 1399506335 /nfs/dbraw/zinc/50/63/35/1399506335.db2.gz JOYASDAMOQVSIV-QHCPKHFHSA-N 1 0 378.520 3.012 20 30 GGEDRO CC(=O)c1ccccc1OCC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000022850316 1399510758 /nfs/dbraw/zinc/51/07/58/1399510758.db2.gz YWUJBVAMEAXQDE-UHFFFAOYSA-N 1 0 377.488 3.348 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)Cc1ccccc1 ZINC000023197000 1399538452 /nfs/dbraw/zinc/53/84/52/1399538452.db2.gz GIYFNXDSLSHKLL-GHTZIAJQSA-N 1 0 379.504 3.395 20 30 GGEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)cc1 ZINC000023245018 1399543380 /nfs/dbraw/zinc/54/33/80/1399543380.db2.gz GKZUMMHNTKZCPI-SFHVURJKSA-N 1 0 393.487 3.069 20 30 GGEDRO COc1ccc(C)cc1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023753385 1399583342 /nfs/dbraw/zinc/58/33/42/1399583342.db2.gz CAQQRBFAHJOMTM-UHFFFAOYSA-N 1 0 377.488 3.152 20 30 GGEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000025228078 1399775449 /nfs/dbraw/zinc/77/54/49/1399775449.db2.gz AOIHYGGWSZRBQU-PZJWPPBQSA-N 1 0 394.471 3.101 20 30 GGEDRO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000025260497 1399781711 /nfs/dbraw/zinc/78/17/11/1399781711.db2.gz HRUNFTUQQAVYHI-MRXNPFEDSA-N 1 0 380.366 3.329 20 30 GGEDRO CC(C)[C@@H](CNC(=O)COc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000025536504 1399817738 /nfs/dbraw/zinc/81/77/38/1399817738.db2.gz ASEMBDPHYJIYDK-OAQYLSRUSA-N 1 0 377.488 3.136 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCNc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC000025579030 1399821323 /nfs/dbraw/zinc/82/13/23/1399821323.db2.gz JHLDETCKJTXDPI-UHFFFAOYSA-N 1 0 379.464 3.399 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCNc3ccc([N+](=O)[O-])cc3C#N)CC2)c1 ZINC000025578995 1399821346 /nfs/dbraw/zinc/82/13/46/1399821346.db2.gz OPOGYQROPCQOTB-UHFFFAOYSA-N 1 0 379.464 3.399 20 30 GGEDRO C=CCc1ccc(OCC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000025940643 1399848034 /nfs/dbraw/zinc/84/80/34/1399848034.db2.gz NCCCBBSWQQWCIC-GOSISDBHSA-N 1 0 394.515 3.366 20 30 GGEDRO Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000026142679 1399864250 /nfs/dbraw/zinc/86/42/50/1399864250.db2.gz OEYFRDXDVXFLTB-UHFFFAOYSA-N 1 0 398.454 3.116 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000026249802 1399873190 /nfs/dbraw/zinc/87/31/90/1399873190.db2.gz XMGJONWYGGJWFC-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO COc1ccc(C)cc1CN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000026263773 1399874568 /nfs/dbraw/zinc/87/45/68/1399874568.db2.gz WSPBJTREMMEFFK-UHFFFAOYSA-N 1 0 392.503 3.022 20 30 GGEDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000026299114 1399876369 /nfs/dbraw/zinc/87/63/69/1399876369.db2.gz SCBSKMGBBPHUGO-AWEZNQCLSA-N 1 0 380.477 3.222 20 30 GGEDRO COC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000026321434 1399877861 /nfs/dbraw/zinc/87/78/61/1399877861.db2.gz VMNRQAZRUBOZRA-UHFFFAOYSA-N 1 0 397.500 3.356 20 30 GGEDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)Cc1cccc(C#N)c1 ZINC000026330784 1399879021 /nfs/dbraw/zinc/87/90/21/1399879021.db2.gz DLPWCJGBZGSQSO-LJQANCHMSA-N 1 0 390.531 3.159 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000026715750 1399924598 /nfs/dbraw/zinc/92/45/98/1399924598.db2.gz XFUWSTUFDSTTQL-QUCCMNQESA-N 1 0 386.517 3.235 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000027036553 1399969834 /nfs/dbraw/zinc/96/98/34/1399969834.db2.gz FSTUWWVZTMKZKP-VXGBXAGGSA-N 1 0 398.850 3.220 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000027036548 1399970067 /nfs/dbraw/zinc/97/00/67/1399970067.db2.gz FSTUWWVZTMKZKP-RYUDHWBXSA-N 1 0 398.850 3.220 20 30 GGEDRO CNC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1ccc(C)cc1 ZINC000027301952 1400017381 /nfs/dbraw/zinc/01/73/81/1400017381.db2.gz WQZFBPBPOBWSMB-UHFFFAOYSA-O 1 0 384.525 3.425 20 30 GGEDRO CNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc(C(C)(C)C)cc1 ZINC000027302404 1400017654 /nfs/dbraw/zinc/01/76/54/1400017654.db2.gz AICLFUAGNVENAY-UHFFFAOYSA-O 1 0 387.525 3.447 20 30 GGEDRO CNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc2c(c1)CCCC2 ZINC000027302428 1400017706 /nfs/dbraw/zinc/01/77/06/1400017706.db2.gz ZARUXQMZHRCSTC-UHFFFAOYSA-O 1 0 385.509 3.028 20 30 GGEDRO COCCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc(C)c1 ZINC000027307730 1400018191 /nfs/dbraw/zinc/01/81/91/1400018191.db2.gz SMMRGWITNPEROK-UHFFFAOYSA-O 1 0 383.537 3.336 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccc(C)cc1 ZINC000027311423 1400018367 /nfs/dbraw/zinc/01/83/67/1400018367.db2.gz ZVHKCPKYVOZZEE-UHFFFAOYSA-O 1 0 382.509 3.345 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(N(C)C)cc1 ZINC000027321942 1400019208 /nfs/dbraw/zinc/01/92/08/1400019208.db2.gz PIBZEEIZFNCLIM-UHFFFAOYSA-O 1 0 398.552 3.304 20 30 GGEDRO O=C(c1ccc(F)cc1)C(C(=S)NC1CCCCC1)[n+]1cccc(CO)c1 ZINC000027461277 1400044042 /nfs/dbraw/zinc/04/40/42/1400044042.db2.gz XWJCHQMSCYVTRY-UHFFFAOYSA-O 1 0 387.500 3.467 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027577990 1400061950 /nfs/dbraw/zinc/06/19/50/1400061950.db2.gz GZADGRAEZKNCGS-QGZVFWFLSA-N 1 0 396.922 3.399 20 30 GGEDRO COc1ccccc1[C@H](CNC(=O)COc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000055752091 1407074432 /nfs/dbraw/zinc/07/44/32/1407074432.db2.gz YVYKLFVSBPRGAG-NRFANRHFSA-N 1 0 393.487 3.289 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000028879014 1400206708 /nfs/dbraw/zinc/20/67/08/1400206708.db2.gz GUTQHEQLHSHGIQ-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000028882746 1400207543 /nfs/dbraw/zinc/20/75/43/1400207543.db2.gz NRBWQLKJODQYIR-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000028961858 1400216776 /nfs/dbraw/zinc/21/67/76/1400216776.db2.gz DFOMOQJYUHJDBT-QHCPKHFHSA-N 1 0 388.515 3.086 20 30 GGEDRO C[C@H](C(=O)N1CCc2ccccc21)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961464 1400216801 /nfs/dbraw/zinc/21/68/01/1400216801.db2.gz OQKVIRSUVURVCT-LJQANCHMSA-N 1 0 388.515 3.044 20 30 GGEDRO COc1ccc(C)cc1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028960381 1400216807 /nfs/dbraw/zinc/21/68/07/1400216807.db2.gz CAXQFPNKXUUVRV-UHFFFAOYSA-N 1 0 392.503 3.022 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(=O)oc4cc(O)ccc34)CC2)cc1 ZINC000028972167 1400218306 /nfs/dbraw/zinc/21/83/06/1400218306.db2.gz ZJLUZGVEKQLHTH-UHFFFAOYSA-N 1 0 389.455 3.078 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3C#N)c(C)c2)CC1 ZINC000029375291 1400290281 /nfs/dbraw/zinc/29/02/81/1400290281.db2.gz ZVSYUDZLZDCTDU-UHFFFAOYSA-N 1 0 378.476 3.026 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCCNc3nnc(C)c(C)c3C#N)CC2)c1 ZINC000029587442 1400319296 /nfs/dbraw/zinc/31/92/96/1400319296.db2.gz OBVZDKLGYOIAAA-UHFFFAOYSA-N 1 0 378.524 3.288 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000029692942 1400337755 /nfs/dbraw/zinc/33/77/55/1400337755.db2.gz YTHJPDLWLOJXKR-KSZLIROESA-N 1 0 398.551 3.334 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000029909859 1400376244 /nfs/dbraw/zinc/37/62/44/1400376244.db2.gz AHUBVAUAXSHMQN-QGZVFWFLSA-N 1 0 387.524 3.159 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCn3cnc4ccccc43)CC2)cc1 ZINC000029980529 1400390809 /nfs/dbraw/zinc/39/08/09/1400390809.db2.gz BSANHVPTXJYWTE-UHFFFAOYSA-N 1 0 387.487 3.033 20 30 GGEDRO C=CCOc1ccc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000030000819 1400395094 /nfs/dbraw/zinc/39/50/94/1400395094.db2.gz UMTMEQYJQLSTCA-HSZRJFAPSA-N 1 0 393.531 3.360 20 30 GGEDRO CC[N@H+](CC(=O)NCCc1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000042742008 1400407055 /nfs/dbraw/zinc/40/70/55/1400407055.db2.gz PWBIRCCJZJEGOF-QGZVFWFLSA-N 1 0 395.503 3.317 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000055870175 1407111450 /nfs/dbraw/zinc/11/14/50/1407111450.db2.gz JLDQLOCCHFCSSF-IAGOWNOFSA-N 1 0 378.476 3.218 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000056016028 1407172727 /nfs/dbraw/zinc/17/27/27/1407172727.db2.gz VEIODRABKJWWHP-UHFFFAOYSA-N 1 0 391.431 3.152 20 30 GGEDRO Cc1cc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000056065753 1407187863 /nfs/dbraw/zinc/18/78/63/1407187863.db2.gz ZZGHALXAQHXCEJ-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000056171884 1407239808 /nfs/dbraw/zinc/23/98/08/1407239808.db2.gz ZHNBFTJHGXDEIF-JKSUJKDBSA-N 1 0 397.475 3.270 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000042957047 1403679422 /nfs/dbraw/zinc/67/94/22/1403679422.db2.gz QJQDQURIVJSLMI-UHFFFAOYSA-N 1 0 389.503 3.355 20 30 GGEDRO Cc1ccc(OCCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000043096815 1403706583 /nfs/dbraw/zinc/70/65/83/1403706583.db2.gz HJVVDVAMXISSQP-UHFFFAOYSA-N 1 0 392.503 3.163 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000043329621 1403748227 /nfs/dbraw/zinc/74/82/27/1403748227.db2.gz BNBZNYFGYXXAEL-CALCHBBNSA-N 1 0 378.476 3.489 20 30 GGEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000043490390 1403772739 /nfs/dbraw/zinc/77/27/39/1403772739.db2.gz CEFZYEXZLXKKKO-UHFFFAOYSA-N 1 0 377.492 3.282 20 30 GGEDRO Cc1cccc(OCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000043781017 1403815948 /nfs/dbraw/zinc/81/59/48/1403815948.db2.gz OYEIVDVEVUFOQE-UHFFFAOYSA-N 1 0 380.492 3.019 20 30 GGEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000043830240 1403825106 /nfs/dbraw/zinc/82/51/06/1403825106.db2.gz XEVUXQQPJKRCID-INIZCTEOSA-N 1 0 390.491 3.269 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCSc1ccccc1 ZINC000043862232 1403834100 /nfs/dbraw/zinc/83/41/00/1403834100.db2.gz PIVSFCCIOIOMCD-UHFFFAOYSA-N 1 0 382.533 3.424 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000044566347 1403951256 /nfs/dbraw/zinc/95/12/56/1403951256.db2.gz DWLRMXVJWUQOCB-UHFFFAOYSA-N 1 0 390.487 3.111 20 30 GGEDRO CC(C)C(=O)Nc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000044566589 1403952485 /nfs/dbraw/zinc/95/24/85/1403952485.db2.gz UNFMMUMOFUHUML-UHFFFAOYSA-N 1 0 392.503 3.357 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000056610687 1407378154 /nfs/dbraw/zinc/37/81/54/1407378154.db2.gz JXHKFDKRGQMMKH-UHFFFAOYSA-N 1 0 379.464 3.138 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCOc1ccccc1 ZINC000045210482 1404075742 /nfs/dbraw/zinc/07/57/42/1404075742.db2.gz USDSHSQERCENRP-UHFFFAOYSA-N 1 0 380.492 3.101 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000056612240 1407378867 /nfs/dbraw/zinc/37/88/67/1407378867.db2.gz RFZOHHIKUNRVDO-UHFFFAOYSA-N 1 0 382.464 3.219 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)NCCSCc1ccccc1C#N)c1ccsc1 ZINC000045572273 1404148923 /nfs/dbraw/zinc/14/89/23/1404148923.db2.gz VYFLDOIAEWTHCZ-SFHVURJKSA-N 1 0 388.562 3.455 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000056624992 1407384748 /nfs/dbraw/zinc/38/47/48/1407384748.db2.gz WGDZMYNOSMKDBX-UHFFFAOYSA-N 1 0 384.524 3.354 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000045696866 1404180343 /nfs/dbraw/zinc/18/03/43/1404180343.db2.gz CQKQTKUVTOSONB-SFHVURJKSA-N 1 0 376.460 3.238 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000045812499 1404212617 /nfs/dbraw/zinc/21/26/17/1404212617.db2.gz RDPLSUILPSEWHO-HOTGVXAUSA-N 1 0 382.508 3.417 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000046037291 1404281693 /nfs/dbraw/zinc/28/16/93/1404281693.db2.gz MTCORUIORCBANB-UHFFFAOYSA-N 1 0 380.448 3.053 20 30 GGEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)CC1 ZINC000046120910 1404304706 /nfs/dbraw/zinc/30/47/06/1404304706.db2.gz WVTXCBHITFZTRB-UHFFFAOYSA-N 1 0 377.492 3.017 20 30 GGEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000046121254 1404305866 /nfs/dbraw/zinc/30/58/66/1404305866.db2.gz RGZCIERPIKQOKF-UHFFFAOYSA-N 1 0 377.492 3.017 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000046426607 1404409766 /nfs/dbraw/zinc/40/97/66/1404409766.db2.gz HQVAKIHMSNJIKX-WOJBJXKFSA-N 1 0 397.567 3.148 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(C#N)cc1 ZINC000046529236 1404464192 /nfs/dbraw/zinc/46/41/92/1404464192.db2.gz CXPUQLPHJPTDRM-UHFFFAOYSA-N 1 0 396.516 3.058 20 30 GGEDRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)Cc1ccc(C#N)cc1 ZINC000046529950 1404465357 /nfs/dbraw/zinc/46/53/57/1404465357.db2.gz ZAHLIHOXTNXKJT-LJQANCHMSA-N 1 0 390.531 3.159 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COc2ccccc2C#N)C1 ZINC000046714337 1404562221 /nfs/dbraw/zinc/56/22/21/1404562221.db2.gz BXMNMOXXPYXCHI-GOSISDBHSA-N 1 0 377.488 3.485 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000046751158 1404576584 /nfs/dbraw/zinc/57/65/84/1404576584.db2.gz MOELMNFHXZVTCM-HXUWFJFHSA-N 1 0 397.567 3.435 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000046796112 1404592060 /nfs/dbraw/zinc/59/20/60/1404592060.db2.gz ONWPXHJMJAVCBP-HXUWFJFHSA-N 1 0 393.487 3.117 20 30 GGEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)o1 ZINC000046850503 1404611252 /nfs/dbraw/zinc/61/12/52/1404611252.db2.gz GECXTWKNDJRAKB-UHFFFAOYSA-N 1 0 380.492 3.346 20 30 GGEDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000046884598 1404621874 /nfs/dbraw/zinc/62/18/74/1404621874.db2.gz LHLXEHQSGWERPD-NRFANRHFSA-N 1 0 377.492 3.059 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000046886047 1404622925 /nfs/dbraw/zinc/62/29/25/1404622925.db2.gz MONLXPQOFMJAIC-UHFFFAOYSA-N 1 0 376.504 3.408 20 30 GGEDRO COc1cc(/C=C/C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)ccc1OCC#N ZINC000046988577 1404663086 /nfs/dbraw/zinc/66/30/86/1404663086.db2.gz UTCFZAPWEFDRAO-CKDFRHGISA-N 1 0 385.508 3.382 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000047011163 1404673435 /nfs/dbraw/zinc/67/34/35/1404673435.db2.gz APAQBSMPGKKALP-UHFFFAOYSA-N 1 0 387.487 3.007 20 30 GGEDRO COc1ccc(OC)c(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000047010353 1404674162 /nfs/dbraw/zinc/67/41/62/1404674162.db2.gz QAAIIYLZVGWTFT-UHFFFAOYSA-N 1 0 395.503 3.098 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2cccn2)cc1 ZINC000047011635 1404674437 /nfs/dbraw/zinc/67/44/37/1404674437.db2.gz VQKITSXAURZNFF-UHFFFAOYSA-N 1 0 387.487 3.007 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047037828 1404683338 /nfs/dbraw/zinc/68/33/38/1404683338.db2.gz MFYIGBWQHUBJRH-HDICACEKSA-N 1 0 387.572 3.221 20 30 GGEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000047262296 1404774594 /nfs/dbraw/zinc/77/45/94/1404774594.db2.gz AYYIQUWZGVBARQ-INIZCTEOSA-N 1 0 384.867 3.336 20 30 GGEDRO N#Cc1ccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000047333775 1404809483 /nfs/dbraw/zinc/80/94/83/1404809483.db2.gz DJSKFKIPWLIMHF-UHFFFAOYSA-N 1 0 377.492 3.282 20 30 GGEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)COc1ccc(C#N)cc1OC ZINC000047444999 1404839458 /nfs/dbraw/zinc/83/94/58/1404839458.db2.gz FJSYZVLDMUDGSY-UHFFFAOYSA-N 1 0 397.475 3.305 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000047671754 1404890892 /nfs/dbraw/zinc/89/08/92/1404890892.db2.gz DPQMEHPWQNXHJA-UHFFFAOYSA-N 1 0 379.489 3.186 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCNC(=O)c3ccco3)c2)c1 ZINC000047699442 1404895208 /nfs/dbraw/zinc/89/52/08/1404895208.db2.gz VACSJLHWPXRHQN-UHFFFAOYSA-N 1 0 375.428 3.250 20 30 GGEDRO CCC[N@H+](CC(=O)N1CCN(c2cccc(C)c2)CC1)Cc1ccc(C#N)cc1 ZINC000047740489 1404913684 /nfs/dbraw/zinc/91/36/84/1404913684.db2.gz SKTKBZZPIFXMGR-UHFFFAOYSA-N 1 0 390.531 3.428 20 30 GGEDRO CCC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)Cc1ccc(C#N)cc1 ZINC000047740358 1404913913 /nfs/dbraw/zinc/91/39/13/1404913913.db2.gz PYMAQZNGLRZDKB-UHFFFAOYSA-N 1 0 395.503 3.446 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)NCC#Cc2ccccc2)[NH+]2CCCC2)c1 ZINC000047986316 1405018947 /nfs/dbraw/zinc/01/89/47/1405018947.db2.gz XTBLGCZOSASKPE-JOCHJYFZSA-N 1 0 377.488 3.183 20 30 GGEDRO COc1cccc([C@H](CNC(=O)NCc2cccc(C#N)c2)[NH+]2CCCC2)c1 ZINC000047986268 1405019190 /nfs/dbraw/zinc/01/91/90/1405019190.db2.gz YUQJOROFWUNEMR-NRFANRHFSA-N 1 0 378.476 3.203 20 30 GGEDRO COc1cccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+](C)C)c1 ZINC000048087435 1405049806 /nfs/dbraw/zinc/04/98/06/1405049806.db2.gz ATOJGPDQIKOHHY-HXUWFJFHSA-N 1 0 383.517 3.219 20 30 GGEDRO COC(=O)c1ccc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000048097025 1405052883 /nfs/dbraw/zinc/05/28/83/1405052883.db2.gz JTRPDFZZQVRKHR-UHFFFAOYSA-N 1 0 394.475 3.249 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000048149531 1405076034 /nfs/dbraw/zinc/07/60/34/1405076034.db2.gz POVKSIFMNQADHP-LJQANCHMSA-N 1 0 384.455 3.166 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000048149139 1405076080 /nfs/dbraw/zinc/07/60/80/1405076080.db2.gz OCLPWGBPFZFCMY-UHFFFAOYSA-N 1 0 392.503 3.389 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000048159508 1405078068 /nfs/dbraw/zinc/07/80/68/1405078068.db2.gz QBIKIEYPWYWWAP-UHFFFAOYSA-N 1 0 380.492 3.198 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000048160229 1405079553 /nfs/dbraw/zinc/07/95/53/1405079553.db2.gz GXWYTJPPOUBLPZ-FQEVSTJZSA-N 1 0 386.540 3.480 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000048159816 1405079694 /nfs/dbraw/zinc/07/96/94/1405079694.db2.gz FGJIQLSKSVENEY-UHFFFAOYSA-N 1 0 392.503 3.342 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000048161328 1405080179 /nfs/dbraw/zinc/08/01/79/1405080179.db2.gz JMMHYRHMBQNMPV-UHFFFAOYSA-N 1 0 398.482 3.337 20 30 GGEDRO N#Cc1ccc(CSCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000048184474 1405090887 /nfs/dbraw/zinc/09/08/87/1405090887.db2.gz RQVAHXJHWIPYPM-UHFFFAOYSA-N 1 0 379.529 3.356 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000048282973 1405127765 /nfs/dbraw/zinc/12/77/65/1405127765.db2.gz BRWWAGFQDPYPSD-OAQYLSRUSA-N 1 0 380.492 3.449 20 30 GGEDRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000048450773 1405192657 /nfs/dbraw/zinc/19/26/57/1405192657.db2.gz FZUNXAGXOSCSKJ-UHFFFAOYSA-N 1 0 382.439 3.446 20 30 GGEDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)C1 ZINC000048746608 1405280161 /nfs/dbraw/zinc/28/01/61/1405280161.db2.gz JELNMPHXZAYDPG-KRWDZBQOSA-N 1 0 383.517 3.269 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000048827388 1405299905 /nfs/dbraw/zinc/29/99/05/1405299905.db2.gz BUQPCVOGZWLXOX-HDICACEKSA-N 1 0 392.503 3.167 20 30 GGEDRO CC1CC[NH+]([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000048828161 1405301153 /nfs/dbraw/zinc/30/11/53/1405301153.db2.gz ZKESRIXJIGNCLI-GOSISDBHSA-N 1 0 396.516 3.148 20 30 GGEDRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)[NH+](C)C)cc1 ZINC000048846871 1405305368 /nfs/dbraw/zinc/30/53/68/1405305368.db2.gz NUFHYBUQFBAKPD-LJQANCHMSA-N 1 0 398.894 3.132 20 30 GGEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000049378266 1405372749 /nfs/dbraw/zinc/37/27/49/1405372749.db2.gz YISVILDUYSTEGG-UHFFFAOYSA-N 1 0 398.894 3.308 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cccc(CC#N)c3)CC2)c1 ZINC000049699193 1405395168 /nfs/dbraw/zinc/39/51/68/1405395168.db2.gz JRUFAMXMTQKOJJ-UHFFFAOYSA-N 1 0 390.531 3.393 20 30 GGEDRO CC[NH+](CC)[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000050026686 1405455078 /nfs/dbraw/zinc/45/50/78/1405455078.db2.gz XIHSIHJSFOTUOR-OAQYLSRUSA-N 1 0 380.492 3.178 20 30 GGEDRO C=CCc1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(OC)c1 ZINC000050040917 1405461599 /nfs/dbraw/zinc/46/15/99/1405461599.db2.gz JRTLOZLGWUMVGJ-GOSISDBHSA-N 1 0 384.476 3.349 20 30 GGEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000051058927 1405716162 /nfs/dbraw/zinc/71/61/62/1405716162.db2.gz AAAXUPIEVNJQKV-VQTJNVASSA-N 1 0 398.551 3.259 20 30 GGEDRO Cc1ccc(C(=O)NC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)s1 ZINC000051099128 1405725555 /nfs/dbraw/zinc/72/55/55/1405725555.db2.gz KKPCMRZLNJYCII-UHFFFAOYSA-N 1 0 396.516 3.151 20 30 GGEDRO Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1C ZINC000051403995 1405805479 /nfs/dbraw/zinc/80/54/79/1405805479.db2.gz QYOBBXJSONPZLZ-HXUWFJFHSA-N 1 0 380.488 3.458 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000051761313 1405861144 /nfs/dbraw/zinc/86/11/44/1405861144.db2.gz JGCKKRVHGGLCBH-UHFFFAOYSA-N 1 0 388.531 3.082 20 30 GGEDRO C=CCc1cc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc(OC)c1OC ZINC000051778076 1405862716 /nfs/dbraw/zinc/86/27/16/1405862716.db2.gz HSAGMNYOOQKPPR-UHFFFAOYSA-N 1 0 387.524 3.202 20 30 GGEDRO Cc1ccc(CNC(=O)C2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc1F ZINC000051880329 1405880735 /nfs/dbraw/zinc/88/07/35/1405880735.db2.gz MDDISNMCPWCXCQ-UHFFFAOYSA-N 1 0 395.478 3.413 20 30 GGEDRO CCc1ccc(CNC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000052409236 1406044428 /nfs/dbraw/zinc/04/44/28/1406044428.db2.gz NFNAXUIKWHLKOH-UHFFFAOYSA-N 1 0 396.560 3.006 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N(C(C)C)C(C)C ZINC000052485641 1406063398 /nfs/dbraw/zinc/06/33/98/1406063398.db2.gz VSMJUEGMQAXWAM-UHFFFAOYSA-N 1 0 393.601 3.230 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cccc(CC#N)c3)cc2)C[C@H](C)O1 ZINC000052690463 1406123021 /nfs/dbraw/zinc/12/30/21/1406123021.db2.gz UVUWJVXAJUOAFO-HDICACEKSA-N 1 0 377.488 3.292 20 30 GGEDRO COc1ccc2c(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)cc(=O)oc2c1 ZINC000052801017 1406173401 /nfs/dbraw/zinc/17/34/01/1406173401.db2.gz ZOXUAIKRISNBDK-UHFFFAOYSA-N 1 0 389.455 3.386 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000052801311 1406175129 /nfs/dbraw/zinc/17/51/29/1406175129.db2.gz KYZYXPMYFVSEKA-UHFFFAOYSA-N 1 0 393.447 3.007 20 30 GGEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000052830008 1406190550 /nfs/dbraw/zinc/19/05/50/1406190550.db2.gz OYRDRFNMMXBIAF-INIZCTEOSA-N 1 0 384.867 3.336 20 30 GGEDRO CC[NH+]=C(NCc1ccoc1)NCc1cc2c(c(Br)c1)OCO2 ZINC000176306795 1428234343 /nfs/dbraw/zinc/23/43/43/1428234343.db2.gz AKOMKHMFTJZLCF-UHFFFAOYSA-N 1 0 380.242 3.026 20 30 GGEDRO CC(C)(C#N)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000056955625 1407484730 /nfs/dbraw/zinc/48/47/30/1407484730.db2.gz HQSXTRVNMQBYOV-UHFFFAOYSA-N 1 0 396.457 3.274 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)CC1 ZINC000057172653 1407544286 /nfs/dbraw/zinc/54/42/86/1407544286.db2.gz PVZBNJKFONIZGL-KRWDZBQOSA-N 1 0 384.524 3.083 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000057177288 1407547393 /nfs/dbraw/zinc/54/73/93/1407547393.db2.gz DXPPVIQJFILNAP-GOSISDBHSA-N 1 0 377.488 3.183 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000057607034 1407664221 /nfs/dbraw/zinc/66/42/21/1407664221.db2.gz XZPJOYNWGOBHMF-NRFANRHFSA-N 1 0 398.482 3.158 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000057616827 1407667853 /nfs/dbraw/zinc/66/78/53/1407667853.db2.gz XIXHGQMBQCBJFF-NRFANRHFSA-N 1 0 398.482 3.158 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000057618625 1407668995 /nfs/dbraw/zinc/66/89/95/1407668995.db2.gz AXEGAKAGDSMTKQ-CEXWTWQISA-N 1 0 386.540 3.083 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000057631008 1407671014 /nfs/dbraw/zinc/67/10/14/1407671014.db2.gz NLXFZKAKBILRRC-JOCHJYFZSA-N 1 0 394.519 3.328 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc4ccccc4[nH]3)CC2)cc1 ZINC000057645591 1407675880 /nfs/dbraw/zinc/67/58/80/1407675880.db2.gz LPVZVAWHPHGHSH-UHFFFAOYSA-N 1 0 387.487 3.457 20 30 GGEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)([NH+](C)C)C1 ZINC000057859052 1407740587 /nfs/dbraw/zinc/74/05/87/1407740587.db2.gz LCLJOWZEMDONEC-XXBNENTESA-N 1 0 397.567 3.290 20 30 GGEDRO C[C@H]1CCC[C@@](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)([NH+](C)C)C1 ZINC000057859049 1407741207 /nfs/dbraw/zinc/74/12/07/1407741207.db2.gz LCLJOWZEMDONEC-WMZHIEFXSA-N 1 0 397.567 3.290 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(OCCO)c(OC)c2)ccc1OC ZINC000057965703 1407762358 /nfs/dbraw/zinc/76/23/58/1407762358.db2.gz PRWSXKVVDVLRSI-UHFFFAOYSA-N 1 0 387.476 3.320 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)ccc1OC ZINC000057964877 1407762713 /nfs/dbraw/zinc/76/27/13/1407762713.db2.gz GBTZBFZLNQOLLL-UHFFFAOYSA-N 1 0 398.503 3.407 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)ccc1OC ZINC000057968303 1407763282 /nfs/dbraw/zinc/76/32/82/1407763282.db2.gz CQXSYMCDSWTIJX-UHFFFAOYSA-N 1 0 390.505 3.311 20 30 GGEDRO CC(C)[N@H+](CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccc(C#N)cc1 ZINC000058397072 1407822284 /nfs/dbraw/zinc/82/22/84/1407822284.db2.gz MBENJNMKOLNOMG-UHFFFAOYSA-N 1 0 396.560 3.175 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000060756533 1408028953 /nfs/dbraw/zinc/02/89/53/1408028953.db2.gz HPTWUIBBXMUACE-UHFFFAOYSA-N 1 0 397.544 3.190 20 30 GGEDRO CCC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000061001827 1408063337 /nfs/dbraw/zinc/06/33/37/1408063337.db2.gz YFIAYWOJGGKDQD-UHFFFAOYSA-N 1 0 378.476 3.186 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCOC3CCCC3)CC2)cc1 ZINC000061018193 1408065412 /nfs/dbraw/zinc/06/54/12/1408065412.db2.gz KFIWTUJPOPBCHS-UHFFFAOYSA-N 1 0 384.524 3.125 20 30 GGEDRO COc1ccc(CCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000061432952 1408127310 /nfs/dbraw/zinc/12/73/10/1408127310.db2.gz AXXDNMOHEICKMG-UHFFFAOYSA-N 1 0 379.504 3.480 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1C)C(C)C ZINC000062205180 1408217927 /nfs/dbraw/zinc/21/79/27/1408217927.db2.gz WVMVLMJPHOHIJH-GOSISDBHSA-N 1 0 377.916 3.402 20 30 GGEDRO C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000062243300 1408223817 /nfs/dbraw/zinc/22/38/17/1408223817.db2.gz NWBLCJBOBVMMMO-IBGZPJMESA-N 1 0 382.552 3.220 20 30 GGEDRO CSc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ccccn21 ZINC000062263564 1408226702 /nfs/dbraw/zinc/22/67/02/1408226702.db2.gz QXBZQYNUUDZKMZ-UHFFFAOYSA-N 1 0 393.516 3.132 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1)CC(F)(F)F ZINC000176399497 1428301443 /nfs/dbraw/zinc/30/14/43/1428301443.db2.gz GRNRQEWGDQHUFU-ZDUSSCGKSA-N 1 0 388.459 3.154 20 30 GGEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000062484528 1408266085 /nfs/dbraw/zinc/26/60/85/1408266085.db2.gz OJQUKRVWBVGVNI-UHFFFAOYSA-N 1 0 380.467 3.030 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000176403397 1428303865 /nfs/dbraw/zinc/30/38/65/1428303865.db2.gz NDTRIWMDJDIGMP-INIZCTEOSA-N 1 0 382.430 3.093 20 30 GGEDRO N#Cc1ccccc1OCC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000063301020 1408332345 /nfs/dbraw/zinc/33/23/45/1408332345.db2.gz VVKOXUPPRKYJFY-UHFFFAOYSA-N 1 0 383.517 3.069 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000063515984 1408366115 /nfs/dbraw/zinc/36/61/15/1408366115.db2.gz SWTCSVRLWCLQQO-SFHVURJKSA-N 1 0 386.496 3.266 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000063551231 1408371198 /nfs/dbraw/zinc/37/11/98/1408371198.db2.gz ODBJLYYYAIWGDN-UHFFFAOYSA-N 1 0 379.456 3.265 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000063561310 1408372313 /nfs/dbraw/zinc/37/23/13/1408372313.db2.gz MHOUMIOTHRCBHT-RTBURBONSA-N 1 0 392.499 3.238 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CNc3ccccc3Cl)CC2)cc1 ZINC000063637272 1408385299 /nfs/dbraw/zinc/38/52/99/1408385299.db2.gz LEUYMFFUQGMHGY-UHFFFAOYSA-N 1 0 382.895 3.358 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000063753444 1408400951 /nfs/dbraw/zinc/40/09/51/1408400951.db2.gz WVQZONOAQZNEGI-JOCHJYFZSA-N 1 0 382.504 3.372 20 30 GGEDRO COc1ccc(NC(=O)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063751019 1408401170 /nfs/dbraw/zinc/40/11/70/1408401170.db2.gz SCOZBZTUKMCHDD-UHFFFAOYSA-N 1 0 380.448 3.126 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000063753488 1408401476 /nfs/dbraw/zinc/40/14/76/1408401476.db2.gz PHEZXTZYFNSSKD-OAQYLSRUSA-N 1 0 392.503 3.034 20 30 GGEDRO Cc1cccc(N2CCN(C(=O)C[N@H+](Cc3ccc(C#N)cc3)C(C)C)CC2)c1 ZINC000063750333 1408401775 /nfs/dbraw/zinc/40/17/75/1408401775.db2.gz JSYWIGSZRFAVMT-UHFFFAOYSA-N 1 0 390.531 3.426 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063789895 1408411893 /nfs/dbraw/zinc/41/18/93/1408411893.db2.gz KPYZWOVZLBZHEM-UHFFFAOYSA-N 1 0 398.551 3.371 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 ZINC000063821790 1408421258 /nfs/dbraw/zinc/42/12/58/1408421258.db2.gz OWCUCYZCSOGVOL-FQEVSTJZSA-N 1 0 378.476 3.005 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2C)[NH+]2CCCC2)cc1 ZINC000064272157 1408526212 /nfs/dbraw/zinc/52/62/12/1408526212.db2.gz NPVJQMDKCCQBKA-OAQYLSRUSA-N 1 0 390.487 3.067 20 30 GGEDRO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000064381120 1408542619 /nfs/dbraw/zinc/54/26/19/1408542619.db2.gz VQBVWZPMVJTNER-UHFFFAOYSA-N 1 0 388.493 3.209 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521843 1408573177 /nfs/dbraw/zinc/57/31/77/1408573177.db2.gz HGWFTVKHPVIZOG-KRWDZBQOSA-N 1 0 399.516 3.036 20 30 GGEDRO COc1ccc(C[NH2+]Cc2cccnc2-n2cccn2)cc1OCCCC#N ZINC000064613930 1408585968 /nfs/dbraw/zinc/58/59/68/1408585968.db2.gz GNGLLHLGJJIEPQ-UHFFFAOYSA-N 1 0 377.448 3.248 20 30 GGEDRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1OCCCC#N ZINC000064614290 1408586125 /nfs/dbraw/zinc/58/61/25/1408586125.db2.gz YXVDCSPOTCKOOT-IBGZPJMESA-N 1 0 386.467 3.458 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCc3ccc(OC)cc3C2)c(OC)c1 ZINC000065162722 1408649893 /nfs/dbraw/zinc/64/98/93/1408649893.db2.gz RVWNRYRKAWYWKF-HXUWFJFHSA-N 1 0 383.488 3.230 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000065253362 1408657382 /nfs/dbraw/zinc/65/73/82/1408657382.db2.gz CKLIMBSEFYGFAT-MSOLQXFVSA-N 1 0 391.581 3.280 20 30 GGEDRO C=CCc1cc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)cc(OC)c1OC ZINC000065282949 1408659721 /nfs/dbraw/zinc/65/97/21/1408659721.db2.gz KLMBMQNLQSZKAN-UHFFFAOYSA-N 1 0 389.540 3.496 20 30 GGEDRO C=CCc1cc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000065285881 1408659778 /nfs/dbraw/zinc/65/97/78/1408659778.db2.gz YIGRSNXMXORJMK-DLBZAZTESA-N 1 0 389.540 3.494 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)cc1 ZINC000065414401 1408666761 /nfs/dbraw/zinc/66/67/61/1408666761.db2.gz SQFMHJUUHPCVMP-GOSISDBHSA-N 1 0 384.480 3.400 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000176501620 1428341853 /nfs/dbraw/zinc/34/18/53/1428341853.db2.gz CZCCUKHNEORQNE-SFHVURJKSA-N 1 0 394.560 3.068 20 30 GGEDRO N#Cc1ccccc1N1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176502242 1428341978 /nfs/dbraw/zinc/34/19/78/1428341978.db2.gz YNPQUVFYPFCNOQ-UHFFFAOYSA-N 1 0 395.551 3.187 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000176501637 1428342038 /nfs/dbraw/zinc/34/20/38/1428342038.db2.gz PDJWIKMIMVZEKL-AWEZNQCLSA-N 1 0 387.459 3.276 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1Cl ZINC000065892640 1408748802 /nfs/dbraw/zinc/74/88/02/1408748802.db2.gz DAEPCGSZFKQDCT-UHFFFAOYSA-N 1 0 396.878 3.427 20 30 GGEDRO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930330 1408755805 /nfs/dbraw/zinc/75/58/05/1408755805.db2.gz FUBALJWXMIZKCG-OAHLLOKOSA-N 1 0 387.430 3.194 20 30 GGEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(OC)c1C ZINC000065930125 1408755867 /nfs/dbraw/zinc/75/58/67/1408755867.db2.gz DDJWRDXSULVDEA-UHFFFAOYSA-N 1 0 381.476 3.088 20 30 GGEDRO CCc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)[nH]c(C)c1C(C)=O ZINC000065930338 1408755891 /nfs/dbraw/zinc/75/58/91/1408755891.db2.gz CEVPVJHSDWWDLC-UHFFFAOYSA-N 1 0 380.492 3.164 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065930332 1408755901 /nfs/dbraw/zinc/75/59/01/1408755901.db2.gz HSGNRHGKJPFSTP-UHFFFAOYSA-N 1 0 391.431 3.152 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000065930142 1408755963 /nfs/dbraw/zinc/75/59/63/1408755963.db2.gz RRJZVNOLLFWOPI-UHFFFAOYSA-N 1 0 390.487 3.111 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1ccc(F)cc1F ZINC000065930341 1408755971 /nfs/dbraw/zinc/75/59/71/1408755971.db2.gz VOJCBAYCEMNALG-UHFFFAOYSA-N 1 0 399.441 3.390 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000065930895 1408756134 /nfs/dbraw/zinc/75/61/34/1408756134.db2.gz YBFYMRGDJYZILL-UHFFFAOYSA-N 1 0 388.471 3.346 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1nc2ccccc2o1 ZINC000065930837 1408756265 /nfs/dbraw/zinc/75/62/65/1408756265.db2.gz WJAYAZYUCZWSHT-UHFFFAOYSA-N 1 0 394.500 3.382 20 30 GGEDRO COc1ccc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)[nH]c2c1 ZINC000065930648 1408756319 /nfs/dbraw/zinc/75/63/19/1408756319.db2.gz OQDHCRSKDOKCCN-UHFFFAOYSA-N 1 0 376.460 3.252 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000065931211 1408756397 /nfs/dbraw/zinc/75/63/97/1408756397.db2.gz QRNDZFGQSVTGGU-UHFFFAOYSA-N 1 0 381.451 3.251 20 30 GGEDRO CC(=O)Nc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1C ZINC000065930460 1408756438 /nfs/dbraw/zinc/75/64/38/1408756438.db2.gz BSPCNKZFUPAUSD-UHFFFAOYSA-N 1 0 378.476 3.029 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSCc1ccc(C#N)cc1 ZINC000065930450 1408756445 /nfs/dbraw/zinc/75/64/45/1408756445.db2.gz MXHVYWUVVAZQNA-UHFFFAOYSA-N 1 0 392.528 3.254 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(Cl)nc2ccccn21 ZINC000065930415 1408756453 /nfs/dbraw/zinc/75/64/53/1408756453.db2.gz IDWGGRHGHGCCFO-UHFFFAOYSA-N 1 0 381.867 3.063 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccs2)on1 ZINC000065930675 1408756509 /nfs/dbraw/zinc/75/65/09/1408756509.db2.gz CGDWTUUYAYASFB-UHFFFAOYSA-N 1 0 380.473 3.479 20 30 GGEDRO COc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1F ZINC000065930836 1408756583 /nfs/dbraw/zinc/75/65/83/1408756583.db2.gz YLIXIEQEXPCFRB-UHFFFAOYSA-N 1 0 383.467 3.229 20 30 GGEDRO C=CCn1c(C)cc(C(O)=CONC(=[NH2+])Cc2ccc(OC)c(OC)c2)c1C ZINC000065948790 1408761416 /nfs/dbraw/zinc/76/14/16/1408761416.db2.gz AEDLPULTAWJJEX-UHFFFAOYSA-N 1 0 385.464 3.022 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000065972328 1408764908 /nfs/dbraw/zinc/76/49/08/1408764908.db2.gz NICRAXGJKJQESM-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO Cc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065975155 1408765862 /nfs/dbraw/zinc/76/58/62/1408765862.db2.gz ITCYWMOFRAJJGC-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000065975269 1408765906 /nfs/dbraw/zinc/76/59/06/1408765906.db2.gz IFWICOKWOBNLEV-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000066390510 1408828653 /nfs/dbraw/zinc/82/86/53/1408828653.db2.gz DBSARXCVUXJLEJ-INIZCTEOSA-N 1 0 381.451 3.362 20 30 GGEDRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)Nc3ccccc3C#N)CCOCC2)cc1 ZINC000066392913 1408829405 /nfs/dbraw/zinc/82/94/05/1408829405.db2.gz GJCZCLQGVFBNMY-QGZVFWFLSA-N 1 0 393.487 3.232 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000066393050 1408829458 /nfs/dbraw/zinc/82/94/58/1408829458.db2.gz JENGNCGJVQWARD-LJQANCHMSA-N 1 0 384.568 3.444 20 30 GGEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000066410389 1408832688 /nfs/dbraw/zinc/83/26/88/1408832688.db2.gz UWKLJPXGKXKEJW-HSZRJFAPSA-N 1 0 388.515 3.305 20 30 GGEDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000066483798 1408845391 /nfs/dbraw/zinc/84/53/91/1408845391.db2.gz BMNWBSJHCNAWMH-FQEVSTJZSA-N 1 0 383.448 3.311 20 30 GGEDRO C[NH+](C)Cc1ccc(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000066618610 1408869409 /nfs/dbraw/zinc/86/94/09/1408869409.db2.gz ULVWUQVPIVRYDB-UHFFFAOYSA-N 1 0 392.503 3.091 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000066618424 1408869586 /nfs/dbraw/zinc/86/95/86/1408869586.db2.gz IEZGQYTVTAUZLC-UHFFFAOYSA-N 1 0 384.524 3.096 20 30 GGEDRO CCCC[NH+]1CCC(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066622411 1408870906 /nfs/dbraw/zinc/87/09/06/1408870906.db2.gz PTDXQNPWLDGNQO-UHFFFAOYSA-N 1 0 384.524 3.094 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(C#N)c(F)c2)CC1 ZINC000066748735 1408898872 /nfs/dbraw/zinc/89/88/72/1408898872.db2.gz QIBRXGOMEPBCRB-UHFFFAOYSA-N 1 0 381.451 3.165 20 30 GGEDRO Cc1cnc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000176553824 1428361524 /nfs/dbraw/zinc/36/15/24/1428361524.db2.gz IKAPPYIDVFTQTF-INIZCTEOSA-N 1 0 383.521 3.302 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000176554095 1428361683 /nfs/dbraw/zinc/36/16/83/1428361683.db2.gz FVZQXPQMIRPTBD-UHFFFAOYSA-N 1 0 379.455 3.264 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000176556808 1428362520 /nfs/dbraw/zinc/36/25/20/1428362520.db2.gz LYIGWIIOFCJRHP-SFHVURJKSA-N 1 0 388.512 3.334 20 30 GGEDRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000066920075 1408951525 /nfs/dbraw/zinc/95/15/25/1408951525.db2.gz OBTFLJBDUQTDPK-UHFFFAOYSA-N 1 0 383.517 3.091 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NCc2ccnc(Oc3ccc(OCC)cc3)c2)CC1 ZINC000066920814 1408951966 /nfs/dbraw/zinc/95/19/66/1408951966.db2.gz GZNVIXIPLPAFPX-UHFFFAOYSA-N 1 0 393.487 3.234 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000066922201 1408952334 /nfs/dbraw/zinc/95/23/34/1408952334.db2.gz LCEABJGXTOCJMU-UHFFFAOYSA-N 1 0 378.520 3.101 20 30 GGEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000066982022 1408970612 /nfs/dbraw/zinc/97/06/12/1408970612.db2.gz ZSSKPSVCHITQAB-INIZCTEOSA-N 1 0 390.553 3.254 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000066982281 1408970816 /nfs/dbraw/zinc/97/08/16/1408970816.db2.gz AOJKVXWDNUXJKR-OAHLLOKOSA-N 1 0 388.537 3.010 20 30 GGEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066984354 1408971558 /nfs/dbraw/zinc/97/15/58/1408971558.db2.gz XJTXQJPRGQVCMM-MRXNPFEDSA-N 1 0 394.475 3.136 20 30 GGEDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)cc1OCCCC#N ZINC000067122592 1409013828 /nfs/dbraw/zinc/01/38/28/1409013828.db2.gz APDSVWWVWZRICZ-HXUWFJFHSA-N 1 0 395.503 3.167 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)CC1 ZINC000067125855 1409014832 /nfs/dbraw/zinc/01/48/32/1409014832.db2.gz UDCIQOQUOJFDDC-UHFFFAOYSA-N 1 0 391.471 3.231 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)CC1 ZINC000067144818 1409021297 /nfs/dbraw/zinc/02/12/97/1409021297.db2.gz CSTFFJFBCRZVPB-UHFFFAOYSA-N 1 0 395.482 3.094 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)CC1 ZINC000067206599 1409041638 /nfs/dbraw/zinc/04/16/38/1409041638.db2.gz AMANPMFBEBVVNH-UHFFFAOYSA-N 1 0 381.520 3.341 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000067232548 1409049417 /nfs/dbraw/zinc/04/94/17/1409049417.db2.gz HNSFLXFAAMJZFA-QGZVFWFLSA-N 1 0 376.884 3.182 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000067233892 1409049792 /nfs/dbraw/zinc/04/97/92/1409049792.db2.gz IKKDULDJFNDGLZ-UHFFFAOYSA-N 1 0 375.310 3.290 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)CC1 ZINC000067237653 1409050491 /nfs/dbraw/zinc/05/04/91/1409050491.db2.gz LLJDMWDALSYXON-QGZVFWFLSA-N 1 0 381.520 3.151 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nnn(-c3cccc(Cl)c3)c2CC)CC1 ZINC000067305205 1409068272 /nfs/dbraw/zinc/06/82/72/1409068272.db2.gz QEWHGICXYPHLOA-UHFFFAOYSA-N 1 0 387.915 3.253 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000067319619 1409071846 /nfs/dbraw/zinc/07/18/46/1409071846.db2.gz WDQLFTCNZWVRIZ-UHFFFAOYSA-N 1 0 395.507 3.110 20 30 GGEDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000067344615 1409079310 /nfs/dbraw/zinc/07/93/10/1409079310.db2.gz RKLLHXMZGVCGDV-MRXNPFEDSA-N 1 0 394.475 3.136 20 30 GGEDRO C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000067351677 1409081748 /nfs/dbraw/zinc/08/17/48/1409081748.db2.gz LYKNHWSFGWPZRX-KRWDZBQOSA-N 1 0 390.487 3.012 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000067497883 1409138163 /nfs/dbraw/zinc/13/81/63/1409138163.db2.gz QJVIZRKSESGTOK-ROUUACIJSA-N 1 0 387.524 3.064 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000067498413 1409138614 /nfs/dbraw/zinc/13/86/14/1409138614.db2.gz FZNWFDWVNIQMLF-UHFFFAOYSA-N 1 0 387.524 3.208 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000067498543 1409138807 /nfs/dbraw/zinc/13/88/07/1409138807.db2.gz AXEFLBGADZEHPR-GOSISDBHSA-N 1 0 387.524 3.208 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000067527383 1409146312 /nfs/dbraw/zinc/14/63/12/1409146312.db2.gz XNYSQWRUSBKQGN-UHFFFAOYSA-N 1 0 395.503 3.170 20 30 GGEDRO CC[NH+](CC)CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000067545822 1409154910 /nfs/dbraw/zinc/15/49/10/1409154910.db2.gz BVUNSLXLDTYNAV-UHFFFAOYSA-N 1 0 390.538 3.165 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000067548894 1409156986 /nfs/dbraw/zinc/15/69/86/1409156986.db2.gz GTYXFPMNPZPDKN-UHFFFAOYSA-N 1 0 391.450 3.087 20 30 GGEDRO N#Cc1cccc(OCCCCC(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000176624131 1428382994 /nfs/dbraw/zinc/38/29/94/1428382994.db2.gz FZFHDOXKNSOUQR-UHFFFAOYSA-N 1 0 392.503 3.283 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000067830757 1409240352 /nfs/dbraw/zinc/24/03/52/1409240352.db2.gz DKMDQNYNJKUGHG-UHFFFAOYSA-N 1 0 385.471 3.219 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1cccc(C)c1 ZINC000067952237 1409263287 /nfs/dbraw/zinc/26/32/87/1409263287.db2.gz PAGUOQJNRBYFPX-UHFFFAOYSA-O 1 0 384.525 3.398 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000067979047 1409268213 /nfs/dbraw/zinc/26/82/13/1409268213.db2.gz MHOUMIOTHRCBHT-OALUTQOASA-N 1 0 392.499 3.238 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068132848 1409311053 /nfs/dbraw/zinc/31/10/53/1409311053.db2.gz BXTMXPXVOOHVIB-IBGZPJMESA-N 1 0 385.508 3.203 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(-c2ccccc2F)n1 ZINC000068310202 1409360568 /nfs/dbraw/zinc/36/05/68/1409360568.db2.gz IYXIVQAGUYYSFX-UHFFFAOYSA-N 1 0 391.450 3.087 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000068309941 1409360583 /nfs/dbraw/zinc/36/05/83/1409360583.db2.gz GKCAEBPDJIVJAL-UHFFFAOYSA-N 1 0 385.471 3.219 20 30 GGEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)oc2c1C(=O)CCC2 ZINC000068310198 1409360597 /nfs/dbraw/zinc/36/05/97/1409360597.db2.gz QYAZNXAACFQZHX-UHFFFAOYSA-N 1 0 379.460 3.183 20 30 GGEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000068386258 1409386644 /nfs/dbraw/zinc/38/66/44/1409386644.db2.gz GSUOGQJDKHRKIP-AWEZNQCLSA-N 1 0 398.894 3.396 20 30 GGEDRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000068532842 1409430063 /nfs/dbraw/zinc/43/00/63/1409430063.db2.gz RSICVICRDSEAQQ-LJQANCHMSA-N 1 0 380.467 3.158 20 30 GGEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000068642644 1409453617 /nfs/dbraw/zinc/45/36/17/1409453617.db2.gz HTUOIDNLZIXXLC-MRXNPFEDSA-N 1 0 394.475 3.054 20 30 GGEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000176687502 1428406953 /nfs/dbraw/zinc/40/69/53/1428406953.db2.gz SOOCQIWRPITNKB-MRVPVSSYSA-N 1 0 387.242 3.251 20 30 GGEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(CC#N)c3)CC2)cc1 ZINC000068801076 1409495486 /nfs/dbraw/zinc/49/54/86/1409495486.db2.gz GVWMBHBEKYGJSY-UHFFFAOYSA-N 1 0 377.488 3.403 20 30 GGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)CCCCC#N)C1 ZINC000068881537 1409515026 /nfs/dbraw/zinc/51/50/26/1409515026.db2.gz JTKGAPHPGXJSGY-QZTJIDSGSA-N 1 0 377.554 3.278 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)CC1 ZINC000068918904 1409524173 /nfs/dbraw/zinc/52/41/73/1409524173.db2.gz BINHZKLREHNMDK-UHFFFAOYSA-N 1 0 391.471 3.231 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 ZINC000068919589 1409524690 /nfs/dbraw/zinc/52/46/90/1409524690.db2.gz PTZPASVHKOAAFI-UHFFFAOYSA-N 1 0 376.382 3.175 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC)c1OC ZINC000068991260 1409537995 /nfs/dbraw/zinc/53/79/95/1409537995.db2.gz QXDZYZWALNPPEK-QGZVFWFLSA-N 1 0 399.466 3.482 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]nc3-c3cccnc3)C2)c(F)c1 ZINC000068991011 1409538138 /nfs/dbraw/zinc/53/81/38/1409538138.db2.gz XVQVYZNOYMXZSO-GOSISDBHSA-N 1 0 376.439 3.241 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1OCCCC#N ZINC000068992244 1409538540 /nfs/dbraw/zinc/53/85/40/1409538540.db2.gz ULCXSKCLYHCNSE-IBGZPJMESA-N 1 0 379.460 3.273 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccc(N(C)C)cc1 ZINC000069047740 1409553381 /nfs/dbraw/zinc/55/33/81/1409553381.db2.gz ZWFRCGLMLJCEMK-UHFFFAOYSA-O 1 0 396.536 3.175 20 30 GGEDRO C=CCc1cc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc(OC)c1OC ZINC000069179737 1409582394 /nfs/dbraw/zinc/58/23/94/1409582394.db2.gz XAJFJUYUYMSLON-FQEVSTJZSA-N 1 0 398.503 3.474 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000069278401 1409603136 /nfs/dbraw/zinc/60/31/36/1409603136.db2.gz PUXNNJGLCRAQGX-UHFFFAOYSA-N 1 0 392.503 3.361 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000069305185 1409610524 /nfs/dbraw/zinc/61/05/24/1409610524.db2.gz OIXCGGHOMCVDLW-NRFANRHFSA-N 1 0 392.503 3.300 20 30 GGEDRO C=CCCO[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000069355131 1409621232 /nfs/dbraw/zinc/62/12/32/1409621232.db2.gz OMZNFMSLDFUBEJ-CQSZACIVSA-N 1 0 385.430 3.377 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000069416381 1409632204 /nfs/dbraw/zinc/63/22/04/1409632204.db2.gz XBCDNSOHJXEYJA-HXUWFJFHSA-N 1 0 396.491 3.146 20 30 GGEDRO C[NH+]1CCN(C[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)CC1 ZINC000069617093 1409663544 /nfs/dbraw/zinc/66/35/44/1409663544.db2.gz JZSZINRDBPXUPY-HXUWFJFHSA-N 1 0 397.910 3.322 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000069722145 1409682832 /nfs/dbraw/zinc/68/28/32/1409682832.db2.gz LLMQBSFWBGDYTG-OAQYLSRUSA-N 1 0 378.476 3.225 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000069729239 1409684972 /nfs/dbraw/zinc/68/49/72/1409684972.db2.gz QVTRYOQDTRLNDH-GOSISDBHSA-N 1 0 384.505 3.287 20 30 GGEDRO N#CCOc1ccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000069729242 1409685499 /nfs/dbraw/zinc/68/54/99/1409685499.db2.gz QVTRYOQDTRLNDH-SFHVURJKSA-N 1 0 384.505 3.287 20 30 GGEDRO C=CC[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)CC1CCCCC1 ZINC000069860278 1409717084 /nfs/dbraw/zinc/71/70/84/1409717084.db2.gz WJPLPRSSBNAFOX-UHFFFAOYSA-N 1 0 383.536 3.263 20 30 GGEDRO C[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)Nc1ccccc1C#N ZINC000069874199 1409719547 /nfs/dbraw/zinc/71/95/47/1409719547.db2.gz BJRZOELTIFKTFW-KRWDZBQOSA-N 1 0 386.565 3.227 20 30 GGEDRO COC(=O)[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000176717073 1428430571 /nfs/dbraw/zinc/43/05/71/1428430571.db2.gz UASHGAYISHAOBK-QFIPXVFZSA-N 1 0 377.488 3.069 20 30 GGEDRO N#Cc1ccsc1N1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1=O ZINC000176717173 1428430646 /nfs/dbraw/zinc/43/06/46/1428430646.db2.gz WLJMPCSOHQOJGP-GOSISDBHSA-N 1 0 381.501 3.063 20 30 GGEDRO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCc3cccc(C#N)c3)cc2)CC1 ZINC000070955247 1409806053 /nfs/dbraw/zinc/80/60/53/1409806053.db2.gz HEZKIYAEBAPYIS-UHFFFAOYSA-N 1 0 390.487 3.045 20 30 GGEDRO CN(C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1(C#N)CCCCC1 ZINC000070976472 1409809401 /nfs/dbraw/zinc/80/94/01/1409809401.db2.gz HJASDQDBLDOCKT-LJQANCHMSA-N 1 0 385.508 3.058 20 30 GGEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000176720671 1428433019 /nfs/dbraw/zinc/43/30/19/1428433019.db2.gz DMQPNYKHVVRASX-NRFANRHFSA-N 1 0 381.451 3.166 20 30 GGEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000072895762 1409855007 /nfs/dbraw/zinc/85/50/07/1409855007.db2.gz VWLZVPWFZMXISU-PMACEKPBSA-N 1 0 382.552 3.314 20 30 GGEDRO C[C@@H](Nc1ccc(CC#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000073644100 1409863813 /nfs/dbraw/zinc/86/38/13/1409863813.db2.gz UHGJFQRABUBFEQ-GOSISDBHSA-N 1 0 376.504 3.334 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000074230675 1409870287 /nfs/dbraw/zinc/87/02/87/1409870287.db2.gz BIUASQUPCIDKLE-HSZRJFAPSA-N 1 0 378.520 3.200 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000074230674 1409870382 /nfs/dbraw/zinc/87/03/82/1409870382.db2.gz BIUASQUPCIDKLE-QHCPKHFHSA-N 1 0 378.520 3.200 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000074322043 1409871816 /nfs/dbraw/zinc/87/18/16/1409871816.db2.gz ROEBWFCKVMGJHA-UHFFFAOYSA-N 1 0 376.504 3.483 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000074621093 1409873689 /nfs/dbraw/zinc/87/36/89/1409873689.db2.gz COMJTBSWUIZONI-GGAORHGYSA-N 1 0 376.504 3.362 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNc1ccc(C#N)cc1 ZINC000075323712 1409881391 /nfs/dbraw/zinc/88/13/91/1409881391.db2.gz FOPPFMLPFZETJX-NRFANRHFSA-N 1 0 376.504 3.341 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CSCC)c2)CC1 ZINC000076282891 1409886611 /nfs/dbraw/zinc/88/66/11/1409886611.db2.gz QANZLFYZFIOLQU-UHFFFAOYSA-N 1 0 375.538 3.035 20 30 GGEDRO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000076969620 1409892726 /nfs/dbraw/zinc/89/27/26/1409892726.db2.gz ZFTGTSYKJGMPNK-IBGZPJMESA-N 1 0 376.504 3.117 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000077391644 1409895893 /nfs/dbraw/zinc/89/58/93/1409895893.db2.gz FZPMACQIUZLSPV-HKUYNNGSSA-N 1 0 375.538 3.142 20 30 GGEDRO C=CCSCCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000077831376 1409902510 /nfs/dbraw/zinc/90/25/10/1409902510.db2.gz LQIATJZJDPHRHL-OAHLLOKOSA-N 1 0 375.538 3.021 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000078602564 1409928637 /nfs/dbraw/zinc/92/86/37/1409928637.db2.gz ZMMHDPBRHDKKLJ-GOSISDBHSA-N 1 0 384.524 3.087 20 30 GGEDRO C=CCOCCCC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000079860164 1409990900 /nfs/dbraw/zinc/99/09/00/1409990900.db2.gz YIYZKFHRBKAORQ-KRWDZBQOSA-N 1 0 377.504 3.128 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000081484952 1410020219 /nfs/dbraw/zinc/02/02/19/1410020219.db2.gz ORBFJDAVBCITJA-LJQANCHMSA-N 1 0 376.504 3.256 20 30 GGEDRO CC[NH+]=C(NCC1CCN(Cc2nc(C)c(C)o2)CC1)N1CCC(C)CC1 ZINC000087069537 1410045841 /nfs/dbraw/zinc/04/58/41/1410045841.db2.gz ICNNFNKOPZCVAQ-UHFFFAOYSA-N 1 0 375.561 3.201 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000090226841 1410063664 /nfs/dbraw/zinc/06/36/64/1410063664.db2.gz NDAIJPQMRZMTKY-QFIPXVFZSA-N 1 0 376.504 3.317 20 30 GGEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000091456195 1410073942 /nfs/dbraw/zinc/07/39/42/1410073942.db2.gz GALNKBKIRSXEOY-UHFFFAOYSA-N 1 0 376.932 3.132 20 30 GGEDRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000091456208 1410073961 /nfs/dbraw/zinc/07/39/61/1410073961.db2.gz DDQNHZAGCMIYMN-UHFFFAOYSA-N 1 0 376.932 3.132 20 30 GGEDRO COCOc1ccc(OC)cc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000091792518 1410081235 /nfs/dbraw/zinc/08/12/35/1410081235.db2.gz WFYWXDMXHSEEJN-UHFFFAOYSA-N 1 0 381.476 3.262 20 30 GGEDRO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000091792589 1410081504 /nfs/dbraw/zinc/08/15/04/1410081504.db2.gz JSPJLYOVBJAMDN-GOSISDBHSA-N 1 0 393.487 3.211 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](N4CCNC4=O)C3)c2)c1 ZINC000092189020 1410118828 /nfs/dbraw/zinc/11/88/28/1410118828.db2.gz VLPWDURUEAUKNE-NRFANRHFSA-N 1 0 390.487 3.127 20 30 GGEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[NH+]1CCC(C)CC1 ZINC000092219927 1410121826 /nfs/dbraw/zinc/12/18/26/1410121826.db2.gz UGZXVTMEDTYZCH-KKXNLOMOSA-N 1 0 399.539 3.063 20 30 GGEDRO CCCC[NH+]1CCC(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000092221744 1410123568 /nfs/dbraw/zinc/12/35/68/1410123568.db2.gz PLQZKOFPKJYXTM-UHFFFAOYSA-N 1 0 399.539 3.207 20 30 GGEDRO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)[C@@H](C)C2)cc1 ZINC000092659815 1410183447 /nfs/dbraw/zinc/18/34/47/1410183447.db2.gz SNMCSUNXTDWDSI-ROUUACIJSA-N 1 0 393.487 3.475 20 30 GGEDRO C=CCc1cc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc(OC)c1O ZINC000092665056 1410184833 /nfs/dbraw/zinc/18/48/33/1410184833.db2.gz XOLWQQAVDHNNTL-RTBURBONSA-N 1 0 387.568 3.120 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000092665038 1410184879 /nfs/dbraw/zinc/18/48/79/1410184879.db2.gz OPXLAGCMOQIYIU-OYRHEFFESA-N 1 0 384.568 3.360 20 30 GGEDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)cc1 ZINC000092964437 1410211903 /nfs/dbraw/zinc/21/19/03/1410211903.db2.gz GKKMAMKZJONZKW-GOSISDBHSA-N 1 0 377.554 3.315 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2cc(C#N)cs2)C(C)C)cc1 ZINC000093149185 1410226394 /nfs/dbraw/zinc/22/63/94/1410226394.db2.gz MJAPAXPISNSMFO-SFHVURJKSA-N 1 0 387.505 3.228 20 30 GGEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534367 1410251103 /nfs/dbraw/zinc/25/11/03/1410251103.db2.gz ZPFPIXAOBAGRCM-KRWDZBQOSA-N 1 0 381.436 3.359 20 30 GGEDRO CNC(=O)CC1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000093588534 1410254733 /nfs/dbraw/zinc/25/47/33/1410254733.db2.gz XANUHAOJZCJUBZ-UHFFFAOYSA-N 1 0 377.488 3.485 20 30 GGEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000093613292 1410256345 /nfs/dbraw/zinc/25/63/45/1410256345.db2.gz ADLGHRFKRUWGAF-RTWAWAEBSA-N 1 0 394.519 3.216 20 30 GGEDRO C=C(C)COc1cc(C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)ccc1OC ZINC000093614449 1410257031 /nfs/dbraw/zinc/25/70/31/1410257031.db2.gz MMBAYTSSVFKIAX-LEWJYISDSA-N 1 0 375.509 3.402 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000093740579 1410262511 /nfs/dbraw/zinc/26/25/11/1410262511.db2.gz JKHBYLFSWRSYEG-INIZCTEOSA-N 1 0 377.444 3.492 20 30 GGEDRO COc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1OCCCC#N ZINC000093741780 1410262568 /nfs/dbraw/zinc/26/25/68/1410262568.db2.gz XMTNMLFAPIGCBO-UHFFFAOYSA-N 1 0 385.508 3.355 20 30 GGEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC(C)(C)CN1CCOCC1 ZINC000093769546 1410265549 /nfs/dbraw/zinc/26/55/49/1410265549.db2.gz MJNDDTDNODZSGL-UHFFFAOYSA-N 1 0 395.551 3.254 20 30 GGEDRO CCc1nsc(N2CCC[N@H+](Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000093871516 1410277923 /nfs/dbraw/zinc/27/79/23/1410277923.db2.gz AGKYKEHCUKAHLX-UHFFFAOYSA-N 1 0 385.537 3.495 20 30 GGEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000097207637 1410358372 /nfs/dbraw/zinc/35/83/72/1410358372.db2.gz QLKRZFJCXLVGSF-QGZVFWFLSA-N 1 0 392.503 3.495 20 30 GGEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cc1 ZINC000097472688 1410370541 /nfs/dbraw/zinc/37/05/41/1410370541.db2.gz LRTBPFXLXGCJSY-UHFFFAOYSA-N 1 0 382.439 3.446 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097570645 1410377694 /nfs/dbraw/zinc/37/76/94/1410377694.db2.gz YLKDVYSRFFWTCX-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000176817421 1428480043 /nfs/dbraw/zinc/48/00/43/1428480043.db2.gz QAKUYLJCAYEDSU-NHCUHLMSSA-N 1 0 386.540 3.083 20 30 GGEDRO Cc1ccc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2ccccc2)cc1[N+](=O)[O-] ZINC000101535075 1410452941 /nfs/dbraw/zinc/45/29/41/1410452941.db2.gz MLLRALDKSNSBTN-UHFFFAOYSA-O 1 0 398.386 3.281 20 30 GGEDRO N#Cc1cccc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000101607750 1410477523 /nfs/dbraw/zinc/47/75/23/1410477523.db2.gz OGWAATTZTPAPEU-UHFFFAOYSA-N 1 0 376.504 3.408 20 30 GGEDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000101654079 1410486695 /nfs/dbraw/zinc/48/66/95/1410486695.db2.gz OBACTVVFEHWCKS-UHFFFAOYSA-N 1 0 378.476 3.317 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)C(C)C ZINC000101684477 1410490791 /nfs/dbraw/zinc/49/07/91/1410490791.db2.gz JOBKGDHRTFYGPK-KRWDZBQOSA-N 1 0 391.947 3.159 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)C(C)C ZINC000101684473 1410490823 /nfs/dbraw/zinc/49/08/23/1410490823.db2.gz JOBKGDHRTFYGPK-QGZVFWFLSA-N 1 0 391.947 3.159 20 30 GGEDRO C[C@H](NC(=O)NCc1cccc(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000101784695 1410502056 /nfs/dbraw/zinc/50/20/56/1410502056.db2.gz JWYAEVLDTOTSOL-INIZCTEOSA-N 1 0 395.482 3.010 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1cccc(C#N)c1 ZINC000101784744 1410502078 /nfs/dbraw/zinc/50/20/78/1410502078.db2.gz NAWXFQWJURTNIN-OAQYLSRUSA-N 1 0 377.492 3.149 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(C#N)cc1 ZINC000101784950 1410502290 /nfs/dbraw/zinc/50/22/90/1410502290.db2.gz BXRWEJCQBOYZCF-NRFANRHFSA-N 1 0 377.492 3.149 20 30 GGEDRO N#Cc1ccc(OCCC[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000101920535 1410523729 /nfs/dbraw/zinc/52/37/29/1410523729.db2.gz GPILJPMAFBILLY-IBGZPJMESA-N 1 0 382.439 3.362 20 30 GGEDRO C=CCc1cc(CNC(=O)NC2CC[NH+](CCCC)CC2)cc(OC)c1OC ZINC000102013697 1410544053 /nfs/dbraw/zinc/54/40/53/1410544053.db2.gz LEJLLJIULJGLIJ-UHFFFAOYSA-N 1 0 389.540 3.496 20 30 GGEDRO COc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000102230733 1410583638 /nfs/dbraw/zinc/58/36/38/1410583638.db2.gz GQGQFGZCMOIMPR-LEWJYISDSA-N 1 0 377.488 3.261 20 30 GGEDRO Cc1nn(-c2ccccc2)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000102230738 1410584247 /nfs/dbraw/zinc/58/42/47/1410584247.db2.gz CHDQERQGYWNBNZ-UHFFFAOYSA-N 1 0 387.487 3.256 20 30 GGEDRO C#Cc1cccc(NC(=O)C[N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000102397607 1410621655 /nfs/dbraw/zinc/62/16/55/1410621655.db2.gz QJSPZUVYZXRHNK-UHFFFAOYSA-N 1 0 385.508 3.185 20 30 GGEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102400977 1410621665 /nfs/dbraw/zinc/62/16/65/1410621665.db2.gz GUSKWBZZGFTJEZ-QGZVFWFLSA-N 1 0 386.471 3.480 20 30 GGEDRO Cc1csc(CCCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000102460645 1410634323 /nfs/dbraw/zinc/63/43/23/1410634323.db2.gz RGRRKDNJSYHVPO-UHFFFAOYSA-N 1 0 397.548 3.173 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000102520834 1410643505 /nfs/dbraw/zinc/64/35/05/1410643505.db2.gz MTEPJBRGZKAWJB-INIZCTEOSA-N 1 0 383.496 3.124 20 30 GGEDRO CC(C)c1nc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cs1 ZINC000102574357 1410653341 /nfs/dbraw/zinc/65/33/41/1410653341.db2.gz TXJVZNLPSDKKHK-UHFFFAOYSA-N 1 0 399.564 3.454 20 30 GGEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CC[NH+](C4CCCC4)CC3)o2)cc1 ZINC000102750732 1410724407 /nfs/dbraw/zinc/72/44/07/1410724407.db2.gz LRYHXRMJOLVQOH-UHFFFAOYSA-N 1 0 379.460 3.431 20 30 GGEDRO C=CCn1c(C2CC2)nn(CN2CCN(Cc3ccccc3OC)CC2)c1=S ZINC000102766193 1410736817 /nfs/dbraw/zinc/73/68/17/1410736817.db2.gz HUDAYOKUFLJUBM-UHFFFAOYSA-N 1 0 399.564 3.261 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)Cc1ccccc1 ZINC000102802788 1410767551 /nfs/dbraw/zinc/76/75/51/1410767551.db2.gz CIAOQGUACOHXRP-INIZCTEOSA-N 1 0 388.418 3.454 20 30 GGEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000176884536 1428511461 /nfs/dbraw/zinc/51/14/61/1428511461.db2.gz BAZWDBCOVXKDAM-OAHLLOKOSA-N 1 0 397.500 3.031 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931024 1410809198 /nfs/dbraw/zinc/80/91/98/1410809198.db2.gz VQWVFELVWCBVQU-UHFFFAOYSA-N 1 0 378.476 3.111 20 30 GGEDRO C[C@@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000103180419 1410834697 /nfs/dbraw/zinc/83/46/97/1410834697.db2.gz MVIMFJDVBPMOCG-QGZVFWFLSA-N 1 0 380.492 3.449 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000103290456 1410843115 /nfs/dbraw/zinc/84/31/15/1410843115.db2.gz NATKPGDRSBQRIV-UHFFFAOYSA-N 1 0 384.524 3.354 20 30 GGEDRO C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000103294736 1410843717 /nfs/dbraw/zinc/84/37/17/1410843717.db2.gz ULGMWGPIYPPCCE-CQSZACIVSA-N 1 0 399.445 3.471 20 30 GGEDRO N#Cc1c(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cn2ccccc12 ZINC000103480028 1410862050 /nfs/dbraw/zinc/86/20/50/1410862050.db2.gz HVDDPJNUKPNEOS-SFHVURJKSA-N 1 0 377.423 3.346 20 30 GGEDRO CC(C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1 ZINC000103482623 1410862718 /nfs/dbraw/zinc/86/27/18/1410862718.db2.gz BKVPDWBTUZTKBI-UHFFFAOYSA-N 1 0 377.423 3.346 20 30 GGEDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccc(F)cc1 ZINC000103491454 1410863508 /nfs/dbraw/zinc/86/35/08/1410863508.db2.gz GZVPEICWGHKAAE-UHFFFAOYSA-N 1 0 382.439 3.375 20 30 GGEDRO CC1(C)CC(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC(C)(C)[NH2+]1 ZINC000103851469 1410877306 /nfs/dbraw/zinc/87/73/06/1410877306.db2.gz LEEOGZXGUUYAGI-UHFFFAOYSA-N 1 0 384.524 3.420 20 30 GGEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000104163753 1410885901 /nfs/dbraw/zinc/88/59/01/1410885901.db2.gz SWDGAJRKWYHRHG-MRXNPFEDSA-N 1 0 381.524 3.358 20 30 GGEDRO [NH2+]=C(NCc1ccnc(-n2cccn2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104164090 1410885918 /nfs/dbraw/zinc/88/59/18/1410885918.db2.gz DPHKZQCPJFWXHN-UHFFFAOYSA-N 1 0 376.342 3.093 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2ccc(OCCOc3ccccc3)nc2)cc1 ZINC000104170268 1410886231 /nfs/dbraw/zinc/88/62/31/1410886231.db2.gz FRYHJJWZWNXQAM-UHFFFAOYSA-N 1 0 392.459 3.475 20 30 GGEDRO CC(C)c1cccc(NC(=[NH2+])NCCc2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000104176611 1410886281 /nfs/dbraw/zinc/88/62/81/1410886281.db2.gz QVUPMEYDJJLAPQ-UHFFFAOYSA-N 1 0 394.519 3.437 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCc2ncc(-c3ccccc3)o2)cc1OC ZINC000104174035 1410886353 /nfs/dbraw/zinc/88/63/53/1410886353.db2.gz WUYXEPXSJICZND-UHFFFAOYSA-N 1 0 380.448 3.006 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCCC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000104183460 1410886448 /nfs/dbraw/zinc/88/64/48/1410886448.db2.gz RAVMDURGOALSFI-UHFFFAOYSA-N 1 0 390.871 3.421 20 30 GGEDRO [NH2+]=C(NCCCNC(=O)c1cccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC000104189207 1410886453 /nfs/dbraw/zinc/88/64/53/1410886453.db2.gz CPOBSULWNGMRGJ-UHFFFAOYSA-N 1 0 386.399 3.193 20 30 GGEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H](O)COC2CCOCC2)cc1 ZINC000176920951 1428521048 /nfs/dbraw/zinc/52/10/48/1428521048.db2.gz GYPFGZBLOJHYOP-QFIPXVFZSA-N 1 0 398.478 3.256 20 30 GGEDRO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000104532565 1410899143 /nfs/dbraw/zinc/89/91/43/1410899143.db2.gz RXRHPKZHOIBPMJ-NRFANRHFSA-N 1 0 394.519 3.149 20 30 GGEDRO C[C@@H](O)C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCCCC1 ZINC000104683879 1410929798 /nfs/dbraw/zinc/92/97/98/1410929798.db2.gz YXOGUKJQAHYOHT-CRAIPNDOSA-N 1 0 378.476 3.239 20 30 GGEDRO C[C@H](O)C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000104683963 1410929964 /nfs/dbraw/zinc/92/99/64/1410929964.db2.gz NXGBUPGILQYNOR-INIZCTEOSA-N 1 0 396.453 3.189 20 30 GGEDRO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715103 1410940040 /nfs/dbraw/zinc/94/00/40/1410940040.db2.gz VQWUPHRENREFCG-SFHVURJKSA-N 1 0 377.488 3.449 20 30 GGEDRO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715108 1410940748 /nfs/dbraw/zinc/94/07/48/1410940748.db2.gz VQWUPHRENREFCG-GOSISDBHSA-N 1 0 377.488 3.449 20 30 GGEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCC(C#N)CC2)CC1 ZINC000104980575 1411008004 /nfs/dbraw/zinc/00/80/04/1411008004.db2.gz CNKJXSOEVWNPMH-UHFFFAOYSA-N 1 0 375.904 3.249 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)c1 ZINC000105033925 1411018451 /nfs/dbraw/zinc/01/84/51/1411018451.db2.gz ZFOAODRNXJLHFP-UHFFFAOYSA-N 1 0 382.464 3.399 20 30 GGEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000176965945 1428533233 /nfs/dbraw/zinc/53/32/33/1428533233.db2.gz GHRLLKAZTFHSBA-MRXNPFEDSA-N 1 0 396.413 3.420 20 30 GGEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccccc1-n1ccnc1 ZINC000176967596 1428533758 /nfs/dbraw/zinc/53/37/58/1428533758.db2.gz JTXYNNNMQMNIJD-UHFFFAOYSA-N 1 0 389.381 3.375 20 30 GGEDRO C=CCc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1OC ZINC000105211258 1411042415 /nfs/dbraw/zinc/04/24/15/1411042415.db2.gz XBGHRUPSDZTFKM-KRWDZBQOSA-N 1 0 389.540 3.352 20 30 GGEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000105272677 1411047747 /nfs/dbraw/zinc/04/77/47/1411047747.db2.gz FDXXDPSDMWBIML-LJQANCHMSA-N 1 0 384.524 3.231 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000105328042 1411054746 /nfs/dbraw/zinc/05/47/46/1411054746.db2.gz DUIAWXMQUVOGHN-IBGZPJMESA-N 1 0 379.508 3.247 20 30 GGEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)c1 ZINC000105391710 1411062083 /nfs/dbraw/zinc/06/20/83/1411062083.db2.gz OYMIXUINRKOJEQ-UHFFFAOYSA-O 1 0 381.433 3.405 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)N[C@H](C)CC)cc1 ZINC000105391837 1411062513 /nfs/dbraw/zinc/06/25/13/1411062513.db2.gz LLVIILYBCSBURI-CYBMUJFWSA-O 1 0 389.497 3.243 20 30 GGEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000105404129 1411063879 /nfs/dbraw/zinc/06/38/79/1411063879.db2.gz NNMWJXGQYSCVFN-WCQYABFASA-N 1 0 390.484 3.309 20 30 GGEDRO C=CCc1cc(C[NH2+]Cc2cnc(N3CCOCC3)s2)cc(OC)c1OC ZINC000105478012 1411070803 /nfs/dbraw/zinc/07/08/03/1411070803.db2.gz PUKFOEOCPNYMQE-UHFFFAOYSA-N 1 0 389.521 3.015 20 30 GGEDRO CN(C(=O)Nc1ccc(CC#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000105718616 1411111795 /nfs/dbraw/zinc/11/17/95/1411111795.db2.gz MUPBDWHOIVVFQR-UHFFFAOYSA-N 1 0 377.492 3.318 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1coc(-c2cccs2)n1 ZINC000106019557 1411151265 /nfs/dbraw/zinc/15/12/65/1411151265.db2.gz NEDVLJQKDVMAAY-UHFFFAOYSA-N 1 0 394.500 3.408 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nn(-c3ccccc3)cc2OCCC)CC1 ZINC000106034393 1411154321 /nfs/dbraw/zinc/15/43/21/1411154321.db2.gz YFQBKRDPWTZKKK-UHFFFAOYSA-N 1 0 382.508 3.431 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000106036252 1411154481 /nfs/dbraw/zinc/15/44/81/1411154481.db2.gz MMWALWAXMYNDTQ-ZDUSSCGKSA-N 1 0 398.334 3.268 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(C)nn(-c4ccccc4)c3n2)CC1 ZINC000106034757 1411154543 /nfs/dbraw/zinc/15/45/43/1411154543.db2.gz UOLRKGBUFIWPFD-UHFFFAOYSA-N 1 0 389.503 3.499 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000106034301 1411154591 /nfs/dbraw/zinc/15/45/91/1411154591.db2.gz DRKOEIMQLRBEQE-IBGZPJMESA-N 1 0 387.524 3.409 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)CC1 ZINC000106035398 1411154674 /nfs/dbraw/zinc/15/46/74/1411154674.db2.gz UNQIJHLMZRRTGS-GCJKJVERSA-N 1 0 397.563 3.143 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCOc2ccc(C(C)=O)cc2OC)CC1 ZINC000106036271 1411154879 /nfs/dbraw/zinc/15/48/79/1411154879.db2.gz QYNZXDPNZOSQTA-UHFFFAOYSA-N 1 0 388.508 3.214 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000106035732 1411154979 /nfs/dbraw/zinc/15/49/79/1411154979.db2.gz QMPSBNRVDXCYPG-UHFFFAOYSA-N 1 0 379.545 3.180 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000106038078 1411155907 /nfs/dbraw/zinc/15/59/07/1411155907.db2.gz LNGBSEYTGHUONL-QFIPXVFZSA-N 1 0 391.515 3.314 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 ZINC000106037565 1411155968 /nfs/dbraw/zinc/15/59/68/1411155968.db2.gz IKBXDOYSACYMGP-HXUWFJFHSA-N 1 0 383.536 3.004 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000106038837 1411156077 /nfs/dbraw/zinc/15/60/77/1411156077.db2.gz FBBKCZMHFNAARO-GOSISDBHSA-N 1 0 384.524 3.087 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)CC1 ZINC000106039316 1411156116 /nfs/dbraw/zinc/15/61/16/1411156116.db2.gz ADTWSQYPVHIHQS-IBGZPJMESA-N 1 0 391.943 3.251 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn3c2nccc3-c2ccccc2)CC1 ZINC000106036532 1411156246 /nfs/dbraw/zinc/15/62/46/1411156246.db2.gz UPAQGYSCVJDYCR-UHFFFAOYSA-N 1 0 375.476 3.167 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000106036354 1411156684 /nfs/dbraw/zinc/15/66/84/1411156684.db2.gz XWPYAOAPGNXZLA-UHFFFAOYSA-N 1 0 386.471 3.355 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2SCC(=O)NC(C)C)CC1 ZINC000106039756 1411157789 /nfs/dbraw/zinc/15/77/89/1411157789.db2.gz UHIUEKCBJUIKJG-UHFFFAOYSA-N 1 0 389.565 3.074 20 30 GGEDRO C=C(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)NC(CC)CC)cn2)CC1 ZINC000106066285 1411163523 /nfs/dbraw/zinc/16/35/23/1411163523.db2.gz YANYDVQAUALGGV-UHFFFAOYSA-N 1 0 380.558 3.001 20 30 GGEDRO C=C(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)N[C@@H](C)CCC)cn2)CC1 ZINC000106066230 1411163624 /nfs/dbraw/zinc/16/36/24/1411163624.db2.gz PHBVEJDYTKPWLK-INIZCTEOSA-N 1 0 380.558 3.001 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176992578 1428544190 /nfs/dbraw/zinc/54/41/90/1428544190.db2.gz FFFQDXBVCHOFDQ-IRXDYDNUSA-N 1 0 388.537 3.267 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000106256561 1411184727 /nfs/dbraw/zinc/18/47/27/1411184727.db2.gz RBBQKWJAJSINGX-OAQYLSRUSA-N 1 0 387.524 3.495 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 ZINC000106260961 1411185671 /nfs/dbraw/zinc/18/56/71/1411185671.db2.gz MTCHPSGKJGOQJQ-KRWDZBQOSA-N 1 0 386.540 3.055 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC1 ZINC000106258987 1411185961 /nfs/dbraw/zinc/18/59/61/1411185961.db2.gz HOCWJQMGGOFHBB-UHFFFAOYSA-N 1 0 384.524 3.265 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-n3ccnc3C)c(F)c2)CC1 ZINC000106266692 1411186985 /nfs/dbraw/zinc/18/69/85/1411186985.db2.gz UMRMOTUOMFDYEO-UHFFFAOYSA-N 1 0 385.487 3.160 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000106267105 1411187752 /nfs/dbraw/zinc/18/77/52/1411187752.db2.gz POTUNWUEDKXECL-MRXNPFEDSA-N 1 0 386.496 3.044 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000106275380 1411188526 /nfs/dbraw/zinc/18/85/26/1411188526.db2.gz AXNODYZFZNBXNP-UHFFFAOYSA-N 1 0 382.508 3.152 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(OCC)c(OCC)c2)CC1 ZINC000106275991 1411189378 /nfs/dbraw/zinc/18/93/78/1411189378.db2.gz YOVXSJOYGWAXGP-UHFFFAOYSA-N 1 0 389.540 3.366 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2CN2CCSCC2)CC1 ZINC000106324235 1411194952 /nfs/dbraw/zinc/19/49/52/1411194952.db2.gz XWUKSTOQYQGSKR-UHFFFAOYSA-N 1 0 388.581 3.397 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000106335660 1411197335 /nfs/dbraw/zinc/19/73/35/1411197335.db2.gz BLOGWMFXVYWDOS-IRXDYDNUSA-N 1 0 398.429 3.022 20 30 GGEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000106335655 1411197396 /nfs/dbraw/zinc/19/73/96/1411197396.db2.gz BLOGWMFXVYWDOS-SJORKVTESA-N 1 0 398.429 3.022 20 30 GGEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000176996993 1428547044 /nfs/dbraw/zinc/54/70/44/1428547044.db2.gz RNRMFJWCBQEUGG-NRFANRHFSA-N 1 0 381.451 3.119 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2ccccc2C(F)(F)F)CC1 ZINC000106562938 1411248419 /nfs/dbraw/zinc/24/84/19/1411248419.db2.gz VRZXTUSELSDDPU-UHFFFAOYSA-N 1 0 385.430 3.424 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000106575668 1411251694 /nfs/dbraw/zinc/25/16/94/1411251694.db2.gz PJDCJMHJJFRHQL-OAQYLSRUSA-N 1 0 380.467 3.458 20 30 GGEDRO COc1cccc([C@@H]2C[C@H]2C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000106619864 1411265725 /nfs/dbraw/zinc/26/57/25/1411265725.db2.gz IUWXQBBTPOZNKO-FCHUYYIVSA-N 1 0 377.488 3.261 20 30 GGEDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3ccc(C#N)cc3)cc2F)CC1 ZINC000106702641 1411281531 /nfs/dbraw/zinc/28/15/31/1411281531.db2.gz ISHKMJWVIZPGOW-UHFFFAOYSA-N 1 0 394.494 3.088 20 30 GGEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(C#N)cs2)CC1 ZINC000177009554 1428552294 /nfs/dbraw/zinc/55/22/94/1428552294.db2.gz OWPFGDMOPCXKGG-CQSZACIVSA-N 1 0 386.496 3.392 20 30 GGEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3C#N)C2)CC1 ZINC000106806477 1411304885 /nfs/dbraw/zinc/30/48/85/1411304885.db2.gz NYEDRRJDYBDMHO-HXUWFJFHSA-N 1 0 388.515 3.077 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCC(=O)N2CCSc3ccccc32)CC1 ZINC000106918552 1411320388 /nfs/dbraw/zinc/32/03/88/1411320388.db2.gz IVKHCCAIAACXMF-UHFFFAOYSA-N 1 0 387.549 3.062 20 30 GGEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000106943289 1411323642 /nfs/dbraw/zinc/32/36/42/1411323642.db2.gz HUEGBGREVKYXSA-QGZVFWFLSA-N 1 0 393.491 3.108 20 30 GGEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000106946302 1411325232 /nfs/dbraw/zinc/32/52/32/1411325232.db2.gz DUTBVBYAODUDEE-KRWDZBQOSA-N 1 0 393.491 3.108 20 30 GGEDRO N#CCCN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CC1 ZINC000177029590 1428561065 /nfs/dbraw/zinc/56/10/65/1428561065.db2.gz ZINUILVINMIJQW-HXUWFJFHSA-N 1 0 388.943 3.219 20 30 GGEDRO CCc1ccc(-n2nc(C(=O)N(CCC#N)CCC[NH+](C)C)c3c2CCC3)cc1 ZINC000107569996 1411387995 /nfs/dbraw/zinc/38/79/95/1411387995.db2.gz IXJBIXYNAAVSEC-UHFFFAOYSA-N 1 0 393.535 3.231 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCOC2)c1C#N ZINC000107693972 1411398806 /nfs/dbraw/zinc/39/88/06/1411398806.db2.gz YVLXHHKEUNNMLC-KRWDZBQOSA-N 1 0 398.482 3.402 20 30 GGEDRO COCc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1F ZINC000107853266 1411419575 /nfs/dbraw/zinc/41/95/75/1411419575.db2.gz RBDCSFGXXXMJNR-UHFFFAOYSA-N 1 0 398.482 3.117 20 30 GGEDRO COc1cccc(C2CC(=O)C(=CNCCC[N@@H+]3CCCC[C@@H]3C)C(=O)C2)c1 ZINC000108178318 1411448939 /nfs/dbraw/zinc/44/89/39/1411448939.db2.gz DCUWZZQAOXSDIL-KKFHFHRHSA-N 1 0 384.520 3.449 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)CC1 ZINC000108278746 1411462905 /nfs/dbraw/zinc/46/29/05/1411462905.db2.gz QTQFHJWOZIBVFC-UHFFFAOYSA-N 1 0 381.476 3.327 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000108295133 1411466130 /nfs/dbraw/zinc/46/61/30/1411466130.db2.gz GVWWSWKIBVHDNL-UHFFFAOYSA-N 1 0 389.908 3.155 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000108328532 1411473758 /nfs/dbraw/zinc/47/37/58/1411473758.db2.gz RMUQZDHOXNCATM-SFHVURJKSA-N 1 0 379.508 3.152 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000108358255 1411480136 /nfs/dbraw/zinc/48/01/36/1411480136.db2.gz LINKLZVNRIMMEO-KRWDZBQOSA-N 1 0 386.565 3.437 20 30 GGEDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+]Cc1cccc(C#N)c1)CC2 ZINC000108421567 1411497398 /nfs/dbraw/zinc/49/73/98/1411497398.db2.gz GKOQTIBZTZIUIC-UHFFFAOYSA-N 1 0 393.487 3.030 20 30 GGEDRO C#CCOc1cccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000108517673 1411527460 /nfs/dbraw/zinc/52/74/60/1411527460.db2.gz WWLPVBADGPDUSB-HXUWFJFHSA-N 1 0 377.488 3.385 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000108529068 1411530654 /nfs/dbraw/zinc/53/06/54/1411530654.db2.gz QIPCNCRTPHTLGZ-HNNXBMFYSA-N 1 0 376.526 3.171 20 30 GGEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000108604200 1411548057 /nfs/dbraw/zinc/54/80/57/1411548057.db2.gz PSYVFHSQMINAGT-MRXNPFEDSA-N 1 0 390.553 3.112 20 30 GGEDRO CC(C)(CNC(=O)C(=O)Nc1ccccc1SCCC#N)[NH+]1CCCCC1 ZINC000108604602 1411548071 /nfs/dbraw/zinc/54/80/71/1411548071.db2.gz KZEZNFTWWMFWKT-UHFFFAOYSA-N 1 0 388.537 3.012 20 30 GGEDRO N#Cc1ccsc1N1CC[C@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000177077953 1428580263 /nfs/dbraw/zinc/58/02/63/1428580263.db2.gz MRLMOECKPCXKPI-MJGOQNOKSA-N 1 0 386.565 3.313 20 30 GGEDRO N#Cc1ccccc1COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000108783667 1411609316 /nfs/dbraw/zinc/60/93/16/1411609316.db2.gz OTLXATSJZOMJLM-QGZVFWFLSA-N 1 0 375.472 3.351 20 30 GGEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccccc3F)cc2)CC1 ZINC000108799813 1411615903 /nfs/dbraw/zinc/61/59/03/1411615903.db2.gz NUDWGEQKEKQASP-NRFANRHFSA-N 1 0 380.467 3.351 20 30 GGEDRO CC[NH+](CC)C1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000108869845 1411628602 /nfs/dbraw/zinc/62/86/02/1411628602.db2.gz KDXSNSKBCMRVGD-GOSISDBHSA-N 1 0 377.492 3.030 20 30 GGEDRO CC(C)(C)[NH+]1CCC(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000108891299 1411632941 /nfs/dbraw/zinc/63/29/41/1411632941.db2.gz ZMOYXPFPSMPNJE-UHFFFAOYSA-N 1 0 384.524 3.093 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)CC1 ZINC000108931312 1411643091 /nfs/dbraw/zinc/64/30/91/1411643091.db2.gz XNXANZXXEAISJW-UHFFFAOYSA-N 1 0 382.489 3.052 20 30 GGEDRO N#Cc1ccc(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)cc1Cl ZINC000108974185 1411652364 /nfs/dbraw/zinc/65/23/64/1411652364.db2.gz JAKGRXCYWFOOLN-UHFFFAOYSA-N 1 0 388.924 3.072 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(n3cccn3)CC2)c1 ZINC000109007103 1411659027 /nfs/dbraw/zinc/65/90/27/1411659027.db2.gz QWQKBKNTRYLDSF-IBGZPJMESA-N 1 0 379.508 3.472 20 30 GGEDRO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000109015727 1411661458 /nfs/dbraw/zinc/66/14/58/1411661458.db2.gz WRYRHWXUQATZGE-FQEVSTJZSA-N 1 0 387.487 3.396 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CC1 ZINC000109108730 1411685777 /nfs/dbraw/zinc/68/57/77/1411685777.db2.gz YRTJBUUWMQPPRF-UHFFFAOYSA-N 1 0 396.878 3.271 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000109163161 1411698101 /nfs/dbraw/zinc/69/81/01/1411698101.db2.gz VQEAGRYLPNSILB-HNNXBMFYSA-N 1 0 376.526 3.001 20 30 GGEDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000109162941 1411698486 /nfs/dbraw/zinc/69/84/86/1411698486.db2.gz HYSBZOPAAJIMNI-UHFFFAOYSA-N 1 0 394.475 3.271 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C[N@@H+]1C1CC1 ZINC000177100015 1428588092 /nfs/dbraw/zinc/58/80/92/1428588092.db2.gz FXJOOQHVEJOPEA-UZLBHIALSA-N 1 0 375.472 3.492 20 30 GGEDRO COCCC[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000109260056 1411727552 /nfs/dbraw/zinc/72/75/52/1411727552.db2.gz XAASRYLXZBGIEE-UHFFFAOYSA-N 1 0 380.492 3.135 20 30 GGEDRO N#CC1(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCOCC1 ZINC000109296876 1411734776 /nfs/dbraw/zinc/73/47/76/1411734776.db2.gz WETSGHTZNNSNIE-UHFFFAOYSA-N 1 0 383.536 3.158 20 30 GGEDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000109340748 1411744443 /nfs/dbraw/zinc/74/44/43/1411744443.db2.gz BXWGTUAWMLYVJY-UHFFFAOYSA-N 1 0 389.443 3.120 20 30 GGEDRO COc1cc(OC)c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC)c1 ZINC000109351786 1411746651 /nfs/dbraw/zinc/74/66/51/1411746651.db2.gz BHJOFYIPGTWRLZ-INIZCTEOSA-N 1 0 399.466 3.482 20 30 GGEDRO CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000109381807 1411751719 /nfs/dbraw/zinc/75/17/19/1411751719.db2.gz NRCPKBQKSBBWHF-UHFFFAOYSA-N 1 0 394.523 3.313 20 30 GGEDRO CCCNC(=O)C1([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCCCC1 ZINC000177118298 1428592563 /nfs/dbraw/zinc/59/25/63/1428592563.db2.gz CJDFCEGDWAJGJA-UHFFFAOYSA-N 1 0 398.551 3.369 20 30 GGEDRO COC(=O)CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000109389913 1411753235 /nfs/dbraw/zinc/75/32/35/1411753235.db2.gz LVMJNNKPBSIQAQ-UHFFFAOYSA-N 1 0 391.537 3.348 20 30 GGEDRO CC(C)[N@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000109404865 1411755969 /nfs/dbraw/zinc/75/59/69/1411755969.db2.gz LTPWOTXYHFXQQX-UHFFFAOYSA-N 1 0 390.531 3.113 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109404725 1411756016 /nfs/dbraw/zinc/75/60/16/1411756016.db2.gz PYYFMKBHUUVNSI-OAQYLSRUSA-N 1 0 381.476 3.167 20 30 GGEDRO CC(C)(C)n1ncc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1=O ZINC000109576050 1411790810 /nfs/dbraw/zinc/79/08/10/1411790810.db2.gz FEASCDBMDXBZGV-UHFFFAOYSA-N 1 0 399.926 3.236 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC1 ZINC000109666980 1411802425 /nfs/dbraw/zinc/80/24/25/1411802425.db2.gz KXHRCEGVEDANMK-UHFFFAOYSA-N 1 0 382.508 3.378 20 30 GGEDRO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000109679768 1411803285 /nfs/dbraw/zinc/80/32/85/1411803285.db2.gz UYJLQYWZMCSRRO-PKOBYXMFSA-N 1 0 384.524 3.294 20 30 GGEDRO CN(Cc1cccc(C#N)c1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000109741744 1411807291 /nfs/dbraw/zinc/80/72/91/1411807291.db2.gz QOQXLNJSDMABSB-UHFFFAOYSA-N 1 0 376.504 3.119 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(n3ccnc3)CC1)CCCC2 ZINC000109792224 1411810609 /nfs/dbraw/zinc/81/06/09/1411810609.db2.gz OOTHUIVRPXHTCA-UHFFFAOYSA-N 1 0 383.521 3.361 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109818159 1411812112 /nfs/dbraw/zinc/81/21/12/1411812112.db2.gz OWHORVRERNPBIU-HXUWFJFHSA-N 1 0 376.460 3.014 20 30 GGEDRO C#Cc1cccc(NC(=O)CNC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)c1 ZINC000110119934 1411832333 /nfs/dbraw/zinc/83/23/33/1411832333.db2.gz PVJWBVDTFUGXOZ-UHFFFAOYSA-N 1 0 377.488 3.267 20 30 GGEDRO CN(c1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1)C1CC[NH+](C)CC1 ZINC000110234942 1411839358 /nfs/dbraw/zinc/83/93/58/1411839358.db2.gz HIWNHQNXTXJERC-UHFFFAOYSA-N 1 0 392.503 3.301 20 30 GGEDRO COc1cc(/C=C/C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1OCC#N ZINC000110352614 1411846151 /nfs/dbraw/zinc/84/61/51/1411846151.db2.gz MVRSKAQLWGURJB-NCUBBLFSSA-N 1 0 393.487 3.247 20 30 GGEDRO N#Cc1cccc(OCC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000110421732 1411849916 /nfs/dbraw/zinc/84/99/16/1411849916.db2.gz SJKLAQCICFOURS-UHFFFAOYSA-N 1 0 375.432 3.262 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)[NH+]1CCCC1 ZINC000110605863 1411859791 /nfs/dbraw/zinc/85/97/91/1411859791.db2.gz PWWJONDEFDDJAW-OAQYLSRUSA-N 1 0 393.487 3.093 20 30 GGEDRO N#CCOc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000110611074 1411859936 /nfs/dbraw/zinc/85/99/36/1411859936.db2.gz WEFJVXWNUWFHOI-UHFFFAOYSA-N 1 0 377.488 3.434 20 30 GGEDRO N#Cc1cccc(OCCCCC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000110635590 1411861601 /nfs/dbraw/zinc/86/16/01/1411861601.db2.gz CXSANDVESBGBIW-UHFFFAOYSA-N 1 0 392.503 3.283 20 30 GGEDRO CC1(C)CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000110719822 1411865648 /nfs/dbraw/zinc/86/56/48/1411865648.db2.gz WSXIOKHDAVBCDH-UHFFFAOYSA-N 1 0 377.488 3.254 20 30 GGEDRO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)c1 ZINC000111043149 1411883641 /nfs/dbraw/zinc/88/36/41/1411883641.db2.gz YBIPDNNVAYZWKT-JOCHJYFZSA-N 1 0 377.488 3.148 20 30 GGEDRO CCCCNC(=S)C(C(=O)c1ccc(NC(N)=O)cc1)[n+]1cccc(C)c1 ZINC000111163140 1411892446 /nfs/dbraw/zinc/89/24/46/1411892446.db2.gz WOEWLHASCJGVFQ-UHFFFAOYSA-O 1 0 385.513 3.102 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(NC(N)=O)cc1)[n+]1ccc(C)cc1 ZINC000111163174 1411892541 /nfs/dbraw/zinc/89/25/41/1411892541.db2.gz SHBIRBBYPCZZLJ-AWEZNQCLSA-O 1 0 385.513 3.100 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc(NC(N)=O)cc1)[n+]1ccc(C)cc1 ZINC000111163170 1411892555 /nfs/dbraw/zinc/89/25/55/1411892555.db2.gz SHBIRBBYPCZZLJ-CQSZACIVSA-O 1 0 385.513 3.100 20 30 GGEDRO C[C@H](O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000111288556 1411899517 /nfs/dbraw/zinc/89/95/17/1411899517.db2.gz DCTHZEKNVJDYOX-AWEZNQCLSA-N 1 0 375.538 3.310 20 30 GGEDRO C[C@@H](O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000111287020 1411899755 /nfs/dbraw/zinc/89/97/55/1411899755.db2.gz ZFKAZSVPVAUYBM-ZIAGYGMSSA-N 1 0 375.538 3.166 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1 ZINC000111406103 1411942997 /nfs/dbraw/zinc/94/29/97/1411942997.db2.gz PUEGRDGGUJYCTF-UHFFFAOYSA-N 1 0 376.504 3.449 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000111408103 1411945200 /nfs/dbraw/zinc/94/52/00/1411945200.db2.gz XFFVEGNNWXMFPZ-HSZRJFAPSA-N 1 0 392.547 3.070 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)cc1 ZINC000111407868 1411945443 /nfs/dbraw/zinc/94/54/43/1411945443.db2.gz IPMKKJOIYLHXPJ-SIKLNZKXSA-N 1 0 379.504 3.011 20 30 GGEDRO CN(CCC#N)c1ccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)cc1 ZINC000111409715 1411945903 /nfs/dbraw/zinc/94/59/03/1411945903.db2.gz PPMLXTAYNSCFSZ-UHFFFAOYSA-N 1 0 376.504 3.496 20 30 GGEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC000111408901 1411946120 /nfs/dbraw/zinc/94/61/20/1411946120.db2.gz ZEBKVJLGPSYQHJ-UHFFFAOYSA-N 1 0 398.532 3.331 20 30 GGEDRO C=CC1CCN(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000111471176 1411974783 /nfs/dbraw/zinc/97/47/83/1411974783.db2.gz WRJFHPDFCXTWAW-UHFFFAOYSA-N 1 0 384.568 3.192 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[N@@H+]1C1CC1 ZINC000177172434 1428612991 /nfs/dbraw/zinc/61/29/91/1428612991.db2.gz WJUOLDXOTIDXLS-OXQOHEQNSA-N 1 0 375.472 3.492 20 30 GGEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177174448 1428613680 /nfs/dbraw/zinc/61/36/80/1428613680.db2.gz JUBYWCOZWRHLSL-UYAOXDASSA-N 1 0 394.544 3.179 20 30 GGEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000177174763 1428613765 /nfs/dbraw/zinc/61/37/65/1428613765.db2.gz GJFGAAAXZJUWIG-GCJKJVERSA-N 1 0 377.488 3.369 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177174433 1428614163 /nfs/dbraw/zinc/61/41/63/1428614163.db2.gz JUBYWCOZWRHLSL-AZUAARDMSA-N 1 0 394.544 3.179 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000111736256 1412020819 /nfs/dbraw/zinc/02/08/19/1412020819.db2.gz VHPZLZMVDZQETG-UHFFFAOYSA-N 1 0 384.524 3.495 20 30 GGEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000111735478 1412021042 /nfs/dbraw/zinc/02/10/42/1412021042.db2.gz KNFQLTPBTRLXRC-KKXNLOMOSA-N 1 0 384.524 3.279 20 30 GGEDRO C[N@H+](CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C1CCCC1 ZINC000111858130 1412039788 /nfs/dbraw/zinc/03/97/88/1412039788.db2.gz HVKCBYIHKGVTTD-UHFFFAOYSA-N 1 0 384.524 3.422 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000111879720 1412042803 /nfs/dbraw/zinc/04/28/03/1412042803.db2.gz JWHDFLZLPMMSPR-NRFANRHFSA-N 1 0 376.504 3.361 20 30 GGEDRO C=CCN(CC1CCCCC1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000112214556 1412094642 /nfs/dbraw/zinc/09/46/42/1412094642.db2.gz XCHAFPDFHWZZCI-UHFFFAOYSA-N 1 0 385.556 3.111 20 30 GGEDRO C=CCNC(=O)c1ccc(NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)nc1 ZINC000112512888 1412161327 /nfs/dbraw/zinc/16/13/27/1412161327.db2.gz KWRXWIVPDAKWNN-FQEVSTJZSA-N 1 0 380.492 3.255 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)N(C)CCC#N ZINC000112527301 1412162795 /nfs/dbraw/zinc/16/27/95/1412162795.db2.gz LIXVDYQWYYUIPT-DLBZAZTESA-N 1 0 378.476 3.350 20 30 GGEDRO C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)C(=O)N(C)CCC#N ZINC000112534750 1412164789 /nfs/dbraw/zinc/16/47/89/1412164789.db2.gz JYEQPJYPPNWNLK-OAHLLOKOSA-N 1 0 397.441 3.104 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000112544527 1412166121 /nfs/dbraw/zinc/16/61/21/1412166121.db2.gz CZURLAMXIDFZJU-MRXNPFEDSA-N 1 0 386.496 3.124 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000112544524 1412166248 /nfs/dbraw/zinc/16/62/48/1412166248.db2.gz CZURLAMXIDFZJU-INIZCTEOSA-N 1 0 386.496 3.124 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112700036 1412195863 /nfs/dbraw/zinc/19/58/63/1412195863.db2.gz YEFQOHNYJHDCJM-RTBURBONSA-N 1 0 398.551 3.196 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)nc1Cl ZINC000112821144 1412221896 /nfs/dbraw/zinc/22/18/96/1412221896.db2.gz MTOHVVYMDVAPQP-UHFFFAOYSA-N 1 0 377.275 3.464 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)C(C)C ZINC000112919938 1412239954 /nfs/dbraw/zinc/23/99/54/1412239954.db2.gz RHMIQJYCCBMYAK-IEBWSBKVSA-N 1 0 387.549 3.304 20 30 GGEDRO Cc1nc(SCC(=O)N2CCC(C[NH+]3CCCC3)CC2)c(C#N)c(C)c1C ZINC000112919172 1412240423 /nfs/dbraw/zinc/24/04/23/1412240423.db2.gz XJCDVAQWJLUNGT-UHFFFAOYSA-N 1 0 386.565 3.305 20 30 GGEDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000112988072 1412251232 /nfs/dbraw/zinc/25/12/32/1412251232.db2.gz KNWMTYYGKWHYAI-GJZGRUSLSA-N 1 0 375.538 3.432 20 30 GGEDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000112988070 1412251777 /nfs/dbraw/zinc/25/17/77/1412251777.db2.gz KNWMTYYGKWHYAI-CABCVRRESA-N 1 0 375.538 3.432 20 30 GGEDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000112998611 1412253373 /nfs/dbraw/zinc/25/33/73/1412253373.db2.gz BKIOGHOCLZLPCB-IYBDPMFKSA-N 1 0 386.496 3.217 20 30 GGEDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2C#N)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000112998614 1412253918 /nfs/dbraw/zinc/25/39/18/1412253918.db2.gz BKIOGHOCLZLPCB-HZPDHXFCSA-N 1 0 386.496 3.217 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113094642 1412261391 /nfs/dbraw/zinc/26/13/91/1412261391.db2.gz XTYRWCGEKVGEBS-UHFFFAOYSA-N 1 0 393.487 3.069 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccc(Cl)cc1Br ZINC000113156301 1412269269 /nfs/dbraw/zinc/26/92/69/1412269269.db2.gz RFEAHKAVXDQPBV-UHFFFAOYSA-N 1 0 386.721 3.339 20 30 GGEDRO Cc1cc(C)c(NC(=O)[C@@H](C)ON=C(N)C[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000113250271 1412282745 /nfs/dbraw/zinc/28/27/45/1412282745.db2.gz XAKCDMFKUKEOLS-LSDHHAIUSA-N 1 0 380.920 3.447 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCNC(=O)c2ccccc2F)c(-c2ccccc2)n1 ZINC000113326301 1412292651 /nfs/dbraw/zinc/29/26/51/1412292651.db2.gz MQEFPQHEVUEUGN-UHFFFAOYSA-N 1 0 391.450 3.122 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCc2nnc3n2CCCCC3)c(-c2ccccc2)n1 ZINC000113318799 1412292684 /nfs/dbraw/zinc/29/26/84/1412292684.db2.gz IIUMIWOUZVRFIH-UHFFFAOYSA-N 1 0 389.507 3.114 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000113323872 1412292759 /nfs/dbraw/zinc/29/27/59/1412292759.db2.gz WHINHVBBQCRSLT-MRXNPFEDSA-N 1 0 391.441 3.438 20 30 GGEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000113328385 1412293019 /nfs/dbraw/zinc/29/30/19/1412293019.db2.gz RGPXHKVKHZKDKJ-KDURUIRLSA-N 1 0 392.499 3.238 20 30 GGEDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000113327751 1412293478 /nfs/dbraw/zinc/29/34/78/1412293478.db2.gz XAKLPANCFAUWBM-OAQYLSRUSA-N 1 0 390.487 3.302 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000113334564 1412294029 /nfs/dbraw/zinc/29/40/29/1412294029.db2.gz BBXMDMVTDXUPMX-KRWDZBQOSA-N 1 0 386.517 3.190 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)ccc1OC ZINC000113347618 1412295182 /nfs/dbraw/zinc/29/51/82/1412295182.db2.gz ZPIRBOXPWHQWNQ-IBGZPJMESA-N 1 0 391.475 3.461 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cnc3c(c2)c(C)nn3C)ccc1OC ZINC000113347511 1412295227 /nfs/dbraw/zinc/29/52/27/1412295227.db2.gz BMMUVRRRUREREW-KRWDZBQOSA-N 1 0 379.464 3.256 20 30 GGEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2ccncc2)ccc1OC ZINC000113347620 1412295281 /nfs/dbraw/zinc/29/52/81/1412295281.db2.gz ZPIRBOXPWHQWNQ-LJQANCHMSA-N 1 0 391.475 3.461 20 30 GGEDRO N#CCOc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000113347104 1412295611 /nfs/dbraw/zinc/29/56/11/1412295611.db2.gz NIMCYQMMGHWFDK-UHFFFAOYSA-N 1 0 376.416 3.040 20 30 GGEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2cccnc2)ccc1OC ZINC000113348030 1412296425 /nfs/dbraw/zinc/29/64/25/1412296425.db2.gz VIONTYMYWKEHRI-LJQANCHMSA-N 1 0 391.475 3.461 20 30 GGEDRO CC[C@@H](CNC(=O)NCc1cccc(OCC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000113374504 1412300468 /nfs/dbraw/zinc/30/04/68/1412300468.db2.gz OUEOPKYHGJNLSO-NRFANRHFSA-N 1 0 392.503 3.225 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2cccc(OCC#N)c2)CC1 ZINC000113378147 1412300965 /nfs/dbraw/zinc/30/09/65/1412300965.db2.gz HVEGFQFJYNTLGL-UHFFFAOYSA-N 1 0 392.503 3.361 20 30 GGEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000113405144 1412304239 /nfs/dbraw/zinc/30/42/39/1412304239.db2.gz VDORLBHWCHYHAM-IBGZPJMESA-N 1 0 384.524 3.376 20 30 GGEDRO N#CCOc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000113410992 1412304756 /nfs/dbraw/zinc/30/47/56/1412304756.db2.gz NWVUVHMLOYYXGM-UHFFFAOYSA-N 1 0 378.476 3.006 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000113453554 1412306899 /nfs/dbraw/zinc/30/68/99/1412306899.db2.gz XYIJUYXDJNLFNR-SFHVURJKSA-N 1 0 379.508 3.104 20 30 GGEDRO N#CCOc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000113580646 1412318028 /nfs/dbraw/zinc/31/80/28/1412318028.db2.gz HDVQJIWIYNTDOM-SFHVURJKSA-N 1 0 384.505 3.287 20 30 GGEDRO CC[C@@H](C#N)Oc1cc(CNC(=O)NC2CC[NH+](C(C)C)CC2)ccc1OC ZINC000113579151 1412318072 /nfs/dbraw/zinc/31/80/72/1412318072.db2.gz GAQMYICGZJUNTL-SFHVURJKSA-N 1 0 388.512 3.048 20 30 GGEDRO C[C@H]([NH2+]C1(CNC(=O)NCc2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000113590061 1412318945 /nfs/dbraw/zinc/31/89/45/1412318945.db2.gz UBIJMDOLKHHAEL-SFHVURJKSA-N 1 0 392.503 3.257 20 30 GGEDRO CC[C@H](C#N)Oc1cc(CNC(=O)NCC[N@H+](C)C2CCCC2)ccc1OC ZINC000113617223 1412322232 /nfs/dbraw/zinc/32/22/32/1412322232.db2.gz QIHJLTZPPZDNAH-GOSISDBHSA-N 1 0 388.512 3.050 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1cccc(OCC#N)c1 ZINC000113630548 1412323991 /nfs/dbraw/zinc/32/39/91/1412323991.db2.gz LQNAAKCHMDPORL-UHFFFAOYSA-N 1 0 384.455 3.001 20 30 GGEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1cccc(OCC#N)c1 ZINC000113629595 1412324027 /nfs/dbraw/zinc/32/40/27/1412324027.db2.gz NGFCGQCJEJSJJS-UHFFFAOYSA-N 1 0 384.455 3.001 20 30 GGEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000113961207 1412359511 /nfs/dbraw/zinc/35/95/11/1412359511.db2.gz LKWXMRKSSHREPW-HXUWFJFHSA-N 1 0 390.487 3.455 20 30 GGEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000113980990 1412363222 /nfs/dbraw/zinc/36/32/22/1412363222.db2.gz OZPDCKSCHSNDHX-CTNGQTDRSA-N 1 0 380.492 3.470 20 30 GGEDRO C[NH+]=C(NCc1nccs1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000114071177 1412378967 /nfs/dbraw/zinc/37/89/67/1412378967.db2.gz OLRSNEAFMXULDQ-UHFFFAOYSA-N 1 0 383.443 3.060 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N(C)Cc1cccc(Cl)c1 ZINC000114087118 1412379425 /nfs/dbraw/zinc/37/94/25/1412379425.db2.gz XYAXHNYSPVLGRF-UHFFFAOYSA-N 1 0 382.899 3.437 20 30 GGEDRO Cc1ccc(-n2ccnc2)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000114163973 1412385786 /nfs/dbraw/zinc/38/57/86/1412385786.db2.gz LVCNYMPRJJURDR-UHFFFAOYSA-N 1 0 399.498 3.401 20 30 GGEDRO Cc1sc(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)c(C#N)c1C ZINC000177240664 1428647077 /nfs/dbraw/zinc/64/70/77/1428647077.db2.gz QHTZKBKRZDYADX-UHFFFAOYSA-N 1 0 382.533 3.035 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000114527301 1412453675 /nfs/dbraw/zinc/45/36/75/1412453675.db2.gz DHGUYKUBMOXLSB-AWEZNQCLSA-N 1 0 379.476 3.244 20 30 GGEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000114676192 1412494699 /nfs/dbraw/zinc/49/46/99/1412494699.db2.gz NUKLPVARBJOIMS-UHFFFAOYSA-N 1 0 398.466 3.495 20 30 GGEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000114689277 1412497874 /nfs/dbraw/zinc/49/78/74/1412497874.db2.gz UZIWSCNCHPYDDI-NRFANRHFSA-N 1 0 375.472 3.351 20 30 GGEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(C#N)ccc1C ZINC000114734800 1412513632 /nfs/dbraw/zinc/51/36/32/1412513632.db2.gz KKCTZIFZLAGFAT-QUCCMNQESA-N 1 0 381.501 3.172 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000114747461 1412516825 /nfs/dbraw/zinc/51/68/25/1412516825.db2.gz DNFSZHMBOSVNPJ-JKSUJKDBSA-N 1 0 376.460 3.363 20 30 GGEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000114746883 1412516844 /nfs/dbraw/zinc/51/68/44/1412516844.db2.gz LPQSYVLBRGNEAG-BTYIYWSLSA-N 1 0 388.471 3.363 20 30 GGEDRO N#Cc1ccc(N2CC[C@@H]([NH2+]CC3(c4ccccc4)CCOCC3)C2=O)cc1 ZINC000114747632 1412516999 /nfs/dbraw/zinc/51/69/99/1412516999.db2.gz BTCUNITYSQWRCG-OAQYLSRUSA-N 1 0 375.472 3.002 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000114747463 1412517238 /nfs/dbraw/zinc/51/72/38/1412517238.db2.gz DNFSZHMBOSVNPJ-HZPDHXFCSA-N 1 0 376.460 3.363 20 30 GGEDRO C[N@H+](CCCOc1ccc(C#N)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000177258181 1428656727 /nfs/dbraw/zinc/65/67/27/1428656727.db2.gz CTZNWYCQVNWAQO-UHFFFAOYSA-N 1 0 378.520 3.361 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000114960526 1412557241 /nfs/dbraw/zinc/55/72/41/1412557241.db2.gz JBHFFPIMSQZEJJ-UHFFFAOYSA-N 1 0 381.524 3.492 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000115029609 1412572346 /nfs/dbraw/zinc/57/23/46/1412572346.db2.gz FMZXSMGUKASTMF-JOCHJYFZSA-N 1 0 377.488 3.153 20 30 GGEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)c2)cc1 ZINC000115320996 1412647772 /nfs/dbraw/zinc/64/77/72/1412647772.db2.gz NDOAJLPPGFTXJU-UHFFFAOYSA-N 1 0 398.466 3.495 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 ZINC000115372854 1412660636 /nfs/dbraw/zinc/66/06/36/1412660636.db2.gz DXSWYEBFUNDLJK-ICSRJNTNSA-N 1 0 389.927 3.016 20 30 GGEDRO N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)c2)c1 ZINC000115376022 1412661114 /nfs/dbraw/zinc/66/11/14/1412661114.db2.gz SGWGFCRFYBRSEC-NRFANRHFSA-N 1 0 375.472 3.351 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCCCNC(=O)NC2CCCCC2)CC1 ZINC000115372856 1412661215 /nfs/dbraw/zinc/66/12/15/1412661215.db2.gz WNANKYZVMRLYNZ-UHFFFAOYSA-N 1 0 392.588 3.335 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sc(-c2cnn(C)c2)nc1C)C(C)C ZINC000115383865 1412664262 /nfs/dbraw/zinc/66/42/62/1412664262.db2.gz MCUIYZUVWZPQPM-QGZVFWFLSA-N 1 0 387.553 3.280 20 30 GGEDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000115512117 1412697572 /nfs/dbraw/zinc/69/75/72/1412697572.db2.gz NGQARUJMFKCSLA-LAUBAEHRSA-N 1 0 388.471 3.158 20 30 GGEDRO CC1CC[NH+](Cc2ccc(CN[C@@H](C(N)=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000115596576 1412723537 /nfs/dbraw/zinc/72/35/37/1412723537.db2.gz FZUJZJHHDHHULV-JOCHJYFZSA-N 1 0 376.504 3.106 20 30 GGEDRO Cc1nc(-c2ccc(CC[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)s2)cs1 ZINC000115595927 1412724047 /nfs/dbraw/zinc/72/40/47/1412724047.db2.gz LSVVTSNCVZPWTC-SFHVURJKSA-N 1 0 382.514 3.410 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000115760419 1412781714 /nfs/dbraw/zinc/78/17/14/1412781714.db2.gz ZOFCTWZELJDKKL-UHFFFAOYSA-N 1 0 384.524 3.331 20 30 GGEDRO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000116401956 1412855118 /nfs/dbraw/zinc/85/51/18/1412855118.db2.gz HCOITOYQPSKQJM-UHFFFAOYSA-N 1 0 398.551 3.349 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116579933 1412880799 /nfs/dbraw/zinc/88/07/99/1412880799.db2.gz PVEPSZGRJCASQI-KRWDZBQOSA-N 1 0 390.487 3.147 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116589140 1412884191 /nfs/dbraw/zinc/88/41/91/1412884191.db2.gz GNCJOWSRFKGOIJ-GOSISDBHSA-N 1 0 375.513 3.063 20 30 GGEDRO COc1cccc(C[N@H+](CC(=O)Nc2sccc2C#N)C2CCC(O)CC2)c1 ZINC000116759958 1412917488 /nfs/dbraw/zinc/91/74/88/1412917488.db2.gz WBCFIEVMJMOLPR-UHFFFAOYSA-N 1 0 399.516 3.373 20 30 GGEDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1Cl ZINC000116815939 1412929169 /nfs/dbraw/zinc/92/91/69/1412929169.db2.gz XPDZCFOTQUQHLG-UHFFFAOYSA-N 1 0 387.867 3.364 20 30 GGEDRO COc1cc(C[NH2+]C(C)(C)C(=O)N(C)C)ccc1OCc1cccc(C#N)c1 ZINC000116879458 1412947135 /nfs/dbraw/zinc/94/71/35/1412947135.db2.gz MUFXBDDTRLTYOL-UHFFFAOYSA-N 1 0 381.476 3.102 20 30 GGEDRO CNC(=O)C1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000116876898 1412947429 /nfs/dbraw/zinc/94/74/29/1412947429.db2.gz RCMBXLLZZXKDGQ-UHFFFAOYSA-N 1 0 393.487 3.104 20 30 GGEDRO COc1cc(C[N@H+](C)CCn2cccn2)ccc1OCc1cccc(C#N)c1 ZINC000116879370 1412947593 /nfs/dbraw/zinc/94/75/93/1412947593.db2.gz YTXKKSJQBNRXPA-UHFFFAOYSA-N 1 0 376.460 3.474 20 30 GGEDRO CCOC(=O)CCCCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000117872469 1413086003 /nfs/dbraw/zinc/08/60/03/1413086003.db2.gz DBNFKRDMSKDYLS-UHFFFAOYSA-N 1 0 386.452 3.052 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 ZINC000118030757 1413099627 /nfs/dbraw/zinc/09/96/27/1413099627.db2.gz XLQRIWCWMCQHTK-GOSISDBHSA-N 1 0 386.540 3.242 20 30 GGEDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)[NH+](C)C ZINC000118098352 1413108678 /nfs/dbraw/zinc/10/86/78/1413108678.db2.gz XYSAVGNPPOXHQQ-KRWDZBQOSA-N 1 0 390.553 3.113 20 30 GGEDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000118108912 1413111151 /nfs/dbraw/zinc/11/11/51/1413111151.db2.gz OTUBAHHOAOIBIX-GOSISDBHSA-N 1 0 398.894 3.002 20 30 GGEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000118117290 1413112542 /nfs/dbraw/zinc/11/25/42/1413112542.db2.gz XCWYSFBBULAZOR-MRXNPFEDSA-N 1 0 394.475 3.136 20 30 GGEDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)C ZINC000118119900 1413112998 /nfs/dbraw/zinc/11/29/98/1413112998.db2.gz ZUVKFMVWVNSHLZ-UHFFFAOYSA-N 1 0 394.475 3.136 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCS[C@H](C)[C@@H]2C)c1=S ZINC000118383406 1413157540 /nfs/dbraw/zinc/15/75/40/1413157540.db2.gz KXGMJIGNFGXARH-DLBZAZTESA-N 1 0 395.642 3.412 20 30 GGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000118392993 1413158237 /nfs/dbraw/zinc/15/82/37/1413158237.db2.gz FFSIWVDJGHVIDN-OAHLLOKOSA-N 1 0 387.480 3.201 20 30 GGEDRO N#Cc1cccc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000118746757 1413214755 /nfs/dbraw/zinc/21/47/55/1413214755.db2.gz HQCXCHOFYSNMKX-UHFFFAOYSA-N 1 0 383.879 3.485 20 30 GGEDRO C=CCCO[C@@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000118746930 1413215467 /nfs/dbraw/zinc/21/54/67/1413215467.db2.gz IOAFRBFORCUNKK-INIZCTEOSA-N 1 0 380.916 3.281 20 30 GGEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000118808668 1413227206 /nfs/dbraw/zinc/22/72/06/1413227206.db2.gz CJQUGSSRRGNTGY-KRWDZBQOSA-N 1 0 391.475 3.226 20 30 GGEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118837452 1413240669 /nfs/dbraw/zinc/24/06/69/1413240669.db2.gz XKNGMUMYHWDBAS-MRXNPFEDSA-N 1 0 379.508 3.473 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000118837891 1413241583 /nfs/dbraw/zinc/24/15/83/1413241583.db2.gz RKVYIPNWQIPQAO-SFHVURJKSA-N 1 0 376.460 3.054 20 30 GGEDRO Cc1cccnc1[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000118841038 1413242480 /nfs/dbraw/zinc/24/24/80/1413242480.db2.gz XMSAEIBWGANGCW-HXUWFJFHSA-N 1 0 388.475 3.373 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](CCCCO)C2CC2)c1C#N ZINC000118844363 1413243621 /nfs/dbraw/zinc/24/36/21/1413243621.db2.gz NYBMQPPCDHPSRP-UHFFFAOYSA-N 1 0 398.482 3.280 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](CCCCO)C2CC2)c1C#N ZINC000118844359 1413243759 /nfs/dbraw/zinc/24/37/59/1413243759.db2.gz CYVQOUGRMGEZSV-UHFFFAOYSA-N 1 0 394.519 3.200 20 30 GGEDRO N#Cc1c(NC(=O)CC[N@@H+](CCCCO)C2CC2)sc2c1CCCCC2 ZINC000118844186 1413243964 /nfs/dbraw/zinc/24/39/64/1413243964.db2.gz QBRBGTMCWWDZIH-UHFFFAOYSA-N 1 0 375.538 3.454 20 30 GGEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)CCCCC1 ZINC000118847247 1413243994 /nfs/dbraw/zinc/24/39/94/1413243994.db2.gz ZFAVLGNWKOLPTC-UHFFFAOYSA-N 1 0 390.915 3.311 20 30 GGEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccccc3OCC#N)c2)CC1 ZINC000118951561 1413271228 /nfs/dbraw/zinc/27/12/28/1413271228.db2.gz KLAINVGWNAAJPI-UHFFFAOYSA-N 1 0 378.476 3.372 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2ccc(OC)c(C#N)c2)c1 ZINC000119102982 1413337235 /nfs/dbraw/zinc/33/72/35/1413337235.db2.gz VEKOJTRJOYZIOU-UHFFFAOYSA-N 1 0 380.492 3.251 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C)cc2OCCOCC)CC1 ZINC000119127994 1413348099 /nfs/dbraw/zinc/34/80/99/1413348099.db2.gz RTSNIQMEVLXPLS-UHFFFAOYSA-N 1 0 389.540 3.250 20 30 GGEDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000119235547 1413384676 /nfs/dbraw/zinc/38/46/76/1413384676.db2.gz UOJGPHYEUQWUQH-UHFFFAOYSA-N 1 0 381.476 3.309 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000119276903 1413396964 /nfs/dbraw/zinc/39/69/64/1413396964.db2.gz KPRPDJAHOPGHLQ-AEFFLSMTSA-N 1 0 379.545 3.227 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000119368143 1413426481 /nfs/dbraw/zinc/42/64/81/1413426481.db2.gz ATDOHSKRUOHSQQ-GJZGRUSLSA-N 1 0 399.441 3.376 20 30 GGEDRO N#Cc1cc(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000119378474 1413429414 /nfs/dbraw/zinc/42/94/14/1413429414.db2.gz YOHWQSBIOFJYHK-FQEVSTJZSA-N 1 0 393.510 3.127 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+]C2(C(=O)NCC(C)C)CCCC2)cc1C ZINC000119378048 1413429668 /nfs/dbraw/zinc/42/96/68/1413429668.db2.gz OUGNIEVMNNZNLX-UHFFFAOYSA-N 1 0 398.551 3.225 20 30 GGEDRO C[C@@H](Cc1cccs1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000119406789 1413436657 /nfs/dbraw/zinc/43/66/57/1413436657.db2.gz UNTCTTRDEWDYHU-KRWDZBQOSA-N 1 0 382.533 3.468 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000119615267 1413504234 /nfs/dbraw/zinc/50/42/34/1413504234.db2.gz GZZCCVKPAILPSW-UHFFFAOYSA-N 1 0 377.488 3.221 20 30 GGEDRO N#Cc1cccc(CS(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000119623981 1413507641 /nfs/dbraw/zinc/50/76/41/1413507641.db2.gz COZUUNWMWDRQKM-UHFFFAOYSA-N 1 0 383.517 3.164 20 30 GGEDRO COc1cc(/C=C/C(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1OCC#N ZINC000177439669 1428737528 /nfs/dbraw/zinc/73/75/28/1428737528.db2.gz HMURZMLTTPOOLA-VQHVLOKHSA-N 1 0 383.492 3.134 20 30 GGEDRO COc1ccc(C#N)cc1C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000119876653 1413601598 /nfs/dbraw/zinc/60/15/98/1413601598.db2.gz NKERBVSYJUSDKR-INIZCTEOSA-N 1 0 394.393 3.457 20 30 GGEDRO COC(=O)[C@@]1(C)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000177450834 1428741889 /nfs/dbraw/zinc/74/18/89/1428741889.db2.gz ZNVHHOJUIDSSTK-FQEVSTJZSA-N 1 0 389.521 3.102 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177455875 1428743962 /nfs/dbraw/zinc/74/39/62/1428743962.db2.gz MWLCURSAAFECGB-MJGOQNOKSA-N 1 0 392.565 3.311 20 30 GGEDRO N#CCOc1cccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000120025936 1413658046 /nfs/dbraw/zinc/65/80/46/1413658046.db2.gz ORZQVXZQMUFSNC-GOSISDBHSA-N 1 0 383.517 3.221 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000120034508 1413661839 /nfs/dbraw/zinc/66/18/39/1413661839.db2.gz GSOCZEYWEZJYIB-MRXNPFEDSA-N 1 0 398.536 3.146 20 30 GGEDRO C[C@H](C#N)Oc1ccc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000120093203 1413685076 /nfs/dbraw/zinc/68/50/76/1413685076.db2.gz URNQQBHRMNXPLF-IIBYNOLFSA-N 1 0 378.476 3.039 20 30 GGEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000120096320 1413686157 /nfs/dbraw/zinc/68/61/57/1413686157.db2.gz HNRKJPMJGOKIFT-DOMZBBRYSA-N 1 0 384.402 3.350 20 30 GGEDRO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H](C)C1 ZINC000120096475 1413686222 /nfs/dbraw/zinc/68/62/22/1413686222.db2.gz HNRKJPMJGOKIFT-WFASDCNBSA-N 1 0 384.402 3.350 20 30 GGEDRO Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000120112912 1413692726 /nfs/dbraw/zinc/69/27/26/1413692726.db2.gz MRYLCWCCPWKUFU-INIZCTEOSA-N 1 0 395.507 3.184 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000120117807 1413694649 /nfs/dbraw/zinc/69/46/49/1413694649.db2.gz NMPKMCFEZWJVJD-WMZOPIPTSA-N 1 0 386.496 3.170 20 30 GGEDRO Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000120270853 1413761430 /nfs/dbraw/zinc/76/14/30/1413761430.db2.gz DPCWKNVNMJWWOU-UHFFFAOYSA-N 1 0 387.528 3.080 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1)C(C)C ZINC000120271759 1413762558 /nfs/dbraw/zinc/76/25/58/1413762558.db2.gz MHHPWRRXAXECGN-FQEVSTJZSA-N 1 0 382.508 3.230 20 30 GGEDRO CC1(C)CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000120274685 1413763417 /nfs/dbraw/zinc/76/34/17/1413763417.db2.gz KWTQAAFCKAMOFM-UHFFFAOYSA-N 1 0 377.488 3.254 20 30 GGEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000120350808 1413799578 /nfs/dbraw/zinc/79/95/78/1413799578.db2.gz IHHYGXOCMGKLLX-SFHVURJKSA-N 1 0 392.503 3.025 20 30 GGEDRO CN(C)c1ccc(C(N)=[NH+]OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000120365616 1413803020 /nfs/dbraw/zinc/80/30/20/1413803020.db2.gz BMKRMGOYJPABMZ-UHFFFAOYSA-N 1 0 395.507 3.019 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(C#N)c1C ZINC000120478290 1413826638 /nfs/dbraw/zinc/82/66/38/1413826638.db2.gz FLBTUTNAWMGPMQ-HXUWFJFHSA-N 1 0 383.448 3.465 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000120507261 1413833052 /nfs/dbraw/zinc/83/30/52/1413833052.db2.gz MIFMHJHCPDKGQC-KRWDZBQOSA-N 1 0 375.472 3.477 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000120645014 1413864035 /nfs/dbraw/zinc/86/40/35/1413864035.db2.gz JETXIOPGJVWSGU-UHFFFAOYSA-N 1 0 375.472 3.477 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000120743620 1413890654 /nfs/dbraw/zinc/89/06/54/1413890654.db2.gz FPGFJGIYBFGCBU-ZWKOTPCHSA-N 1 0 376.888 3.101 20 30 GGEDRO C#CCOc1cccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000120764122 1413896318 /nfs/dbraw/zinc/89/63/18/1413896318.db2.gz SLIQJDWNUBNYJU-QGZVFWFLSA-N 1 0 378.476 3.441 20 30 GGEDRO C#CCOc1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000120767858 1413897041 /nfs/dbraw/zinc/89/70/41/1413897041.db2.gz JUVCRALSPODQAS-QGZVFWFLSA-N 1 0 378.476 3.441 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000177492859 1428767465 /nfs/dbraw/zinc/76/74/65/1428767465.db2.gz HRMOOKZAKSXWSB-YHAMSUFESA-N 1 0 377.554 3.167 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000120836517 1413920456 /nfs/dbraw/zinc/92/04/56/1413920456.db2.gz SYHCYKANPUQILB-UHFFFAOYSA-N 1 0 376.460 3.082 20 30 GGEDRO C[C@H]1C[C@H](NC(=O)Cc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000120851145 1413926620 /nfs/dbraw/zinc/92/66/20/1413926620.db2.gz PADOIZIZPGGXGI-GHTZIAJQSA-N 1 0 377.488 3.301 20 30 GGEDRO COc1cc(C#N)ccc1C[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000120985113 1413968315 /nfs/dbraw/zinc/96/83/15/1413968315.db2.gz UAKHUIZALBFAKN-MRXNPFEDSA-N 1 0 394.393 3.457 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CNc1cccc(C#N)c1 ZINC000121027093 1413981648 /nfs/dbraw/zinc/98/16/48/1413981648.db2.gz ZJRPRDNFKMMRCG-ROUUACIJSA-N 1 0 376.504 3.243 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CNc1cccc(C#N)c1 ZINC000121027241 1413981677 /nfs/dbraw/zinc/98/16/77/1413981677.db2.gz ZJRPRDNFKMMRCG-QZTJIDSGSA-N 1 0 376.504 3.243 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000177501671 1428772091 /nfs/dbraw/zinc/77/20/91/1428772091.db2.gz XFGQEQTWNDGTQP-MRXNPFEDSA-N 1 0 383.496 3.061 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1CCCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N ZINC000121082823 1414001381 /nfs/dbraw/zinc/00/13/81/1414001381.db2.gz UWNMVQCRMGIEOA-KRWDZBQOSA-N 1 0 395.551 3.301 20 30 GGEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000121091119 1414004103 /nfs/dbraw/zinc/00/41/03/1414004103.db2.gz OBTBXANKUDXSAL-LJQANCHMSA-N 1 0 390.487 3.248 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000121131469 1414019124 /nfs/dbraw/zinc/01/91/24/1414019124.db2.gz FWLNPMDEOWULLY-UHFFFAOYSA-N 1 0 386.839 3.324 20 30 GGEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177509511 1428776112 /nfs/dbraw/zinc/77/61/12/1428776112.db2.gz CAULYIHFVVJNDI-OTWHNJEPSA-N 1 0 398.551 3.097 20 30 GGEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000121211362 1414045739 /nfs/dbraw/zinc/04/57/39/1414045739.db2.gz ZPUJKAZVQWFJRF-SFHVURJKSA-N 1 0 379.464 3.014 20 30 GGEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000121250983 1414059348 /nfs/dbraw/zinc/05/93/48/1414059348.db2.gz AERLLXXCGYDVHC-UHFFFAOYSA-N 1 0 390.915 3.121 20 30 GGEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177505934 1428773568 /nfs/dbraw/zinc/77/35/68/1428773568.db2.gz RRRZNCHEMUBPJX-OTWHNJEPSA-N 1 0 398.551 3.097 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000121340918 1414088553 /nfs/dbraw/zinc/08/85/53/1414088553.db2.gz DVXQAYDZTNOQTK-GOSISDBHSA-N 1 0 392.507 3.084 20 30 GGEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000121410311 1414112547 /nfs/dbraw/zinc/11/25/47/1414112547.db2.gz ZNNVNCOZZOFSAQ-OAHLLOKOSA-N 1 0 397.454 3.470 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(NC(=O)c2cccnc2)c1 ZINC000121430980 1414119564 /nfs/dbraw/zinc/11/95/64/1414119564.db2.gz FYDULQRADVWHKT-QGZVFWFLSA-N 1 0 379.460 3.224 20 30 GGEDRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121431052 1414119662 /nfs/dbraw/zinc/11/96/62/1414119662.db2.gz FLFOHBDAVSXFQV-JTQLQIEISA-N 1 0 395.294 3.062 20 30 GGEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000121446932 1414125532 /nfs/dbraw/zinc/12/55/32/1414125532.db2.gz FYXOZQYNFOXGNW-UHFFFAOYSA-N 1 0 384.484 3.275 20 30 GGEDRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)CCCc1[nH]nc(N)c1C#N ZINC000121451902 1414128826 /nfs/dbraw/zinc/12/88/26/1414128826.db2.gz FHQRNUWKJXBFRJ-UHFFFAOYSA-N 1 0 381.402 3.216 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000121473933 1414140319 /nfs/dbraw/zinc/14/03/19/1414140319.db2.gz FTUUJSLBKHLCBO-DYVFJYSZSA-N 1 0 394.924 3.420 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1occc1CN1C(=O)Cc2ccccc21 ZINC000121487668 1414146234 /nfs/dbraw/zinc/14/62/34/1414146234.db2.gz YNTWOHJBGXBFHJ-QGZVFWFLSA-N 1 0 394.471 3.259 20 30 GGEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000121572607 1414182955 /nfs/dbraw/zinc/18/29/55/1414182955.db2.gz LUEPNCQLCAFLNQ-UONOGXRCSA-N 1 0 399.318 3.389 20 30 GGEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl ZINC000121572757 1414183141 /nfs/dbraw/zinc/18/31/41/1414183141.db2.gz LUEPNCQLCAFLNQ-KGLIPLIRSA-N 1 0 399.318 3.389 20 30 GGEDRO N#Cc1cccc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000121654629 1414212847 /nfs/dbraw/zinc/21/28/47/1414212847.db2.gz KOYIEMHPOIHPGE-UHFFFAOYSA-N 1 0 384.379 3.020 20 30 GGEDRO CCNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccc(CC)cc1 ZINC000121769794 1414251483 /nfs/dbraw/zinc/25/14/83/1414251483.db2.gz DLTJFKNNOSOBDD-UHFFFAOYSA-O 1 0 396.536 3.212 20 30 GGEDRO C=CCNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccc(C)cc1 ZINC000121775335 1414253737 /nfs/dbraw/zinc/25/37/37/1414253737.db2.gz CWDYQULACVKSBL-UHFFFAOYSA-O 1 0 394.520 3.124 20 30 GGEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(C)cc1 ZINC000121827259 1414270673 /nfs/dbraw/zinc/27/06/73/1414270673.db2.gz YXWMHQDKHHYYTD-UHFFFAOYSA-O 1 0 383.493 3.158 20 30 GGEDRO N#CCOc1cccc(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000121893798 1414295068 /nfs/dbraw/zinc/29/50/68/1414295068.db2.gz XGJXVCTWCHPUDE-UHFFFAOYSA-N 1 0 381.501 3.319 20 30 GGEDRO COCCC1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000121944975 1414317782 /nfs/dbraw/zinc/31/77/82/1414317782.db2.gz LUYXBGQENUTCFM-UHFFFAOYSA-N 1 0 398.551 3.372 20 30 GGEDRO C=CC[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000122014223 1414340637 /nfs/dbraw/zinc/34/06/37/1414340637.db2.gz MMZDMOMKSLIXMT-AWEZNQCLSA-N 1 0 380.920 3.498 20 30 GGEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1c(F)cc(C#N)cc1F ZINC000122058541 1414351673 /nfs/dbraw/zinc/35/16/73/1414351673.db2.gz YOYWFHBAAAIWCH-UHFFFAOYSA-N 1 0 387.430 3.487 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)CC1 ZINC000122375849 1414439413 /nfs/dbraw/zinc/43/94/13/1414439413.db2.gz BSGFREYYRJCHDD-UHFFFAOYSA-N 1 0 384.461 3.310 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000122499780 1414483260 /nfs/dbraw/zinc/48/32/60/1414483260.db2.gz OEKDVUZDGYBJHF-UNMCSNQZSA-N 1 0 395.528 3.233 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 ZINC000122612875 1414517048 /nfs/dbraw/zinc/51/70/48/1414517048.db2.gz KEBUELWXZXYHLM-UHFFFAOYSA-N 1 0 378.904 3.204 20 30 GGEDRO C[NH+](C)CCOc1ccccc1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000122759491 1414558298 /nfs/dbraw/zinc/55/82/98/1414558298.db2.gz UXNVQEQVMFYQQU-UHFFFAOYSA-N 1 0 383.517 3.048 20 30 GGEDRO COc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc2c1OCO2 ZINC000122800379 1414567862 /nfs/dbraw/zinc/56/78/62/1414567862.db2.gz IJXUVVFMTJQFJW-UHFFFAOYSA-N 1 0 379.460 3.003 20 30 GGEDRO Cc1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1-n1cncn1 ZINC000122803928 1414569344 /nfs/dbraw/zinc/56/93/44/1414569344.db2.gz XHQBKDQGJBYQFU-UHFFFAOYSA-N 1 0 386.503 3.155 20 30 GGEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(OC)c1OC ZINC000122810073 1414570354 /nfs/dbraw/zinc/57/03/54/1414570354.db2.gz SLKUFSXMRWARLW-UHFFFAOYSA-N 1 0 395.503 3.292 20 30 GGEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000122815228 1414571709 /nfs/dbraw/zinc/57/17/09/1414571709.db2.gz MDLCRULBXJFOSA-UHFFFAOYSA-N 1 0 375.520 3.261 20 30 GGEDRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cc(C#N)ccc1F ZINC000122827782 1414574906 /nfs/dbraw/zinc/57/49/06/1414574906.db2.gz OTJOHJJLRJNXOV-PBHICJAKSA-N 1 0 377.460 3.201 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+]C2(C(N)=O)CCCCC2)c1C#N ZINC000122974854 1414610397 /nfs/dbraw/zinc/61/03/97/1414610397.db2.gz OUKLFNKKWQOUKY-UHFFFAOYSA-N 1 0 399.539 3.198 20 30 GGEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000123081980 1414636625 /nfs/dbraw/zinc/63/66/25/1414636625.db2.gz YTYWDYNRFZHRKQ-HXUWFJFHSA-N 1 0 382.439 3.017 20 30 GGEDRO CN1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c2ccccc2C1 ZINC000177656648 1428824385 /nfs/dbraw/zinc/82/43/85/1428824385.db2.gz LTZRXXAKHORMTG-UHFFFAOYSA-N 1 0 395.406 3.218 20 30 GGEDRO N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000177660683 1428825389 /nfs/dbraw/zinc/82/53/89/1428825389.db2.gz WGHVWFQNLRGICM-QGZVFWFLSA-N 1 0 384.499 3.001 20 30 GGEDRO CCNS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2ccc([C@H](C)CC)cc2)cc1 ZINC000123568091 1414776564 /nfs/dbraw/zinc/77/65/64/1414776564.db2.gz GKILMKBYQOJPMJ-OAHLLOKOSA-N 1 0 388.537 3.425 20 30 GGEDRO [NH2+]=C(NCc1csc(-c2ccco2)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000123602990 1414791653 /nfs/dbraw/zinc/79/16/53/1414791653.db2.gz UKZIGHBBRHDJPH-UHFFFAOYSA-N 1 0 385.468 3.179 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000123704904 1414812828 /nfs/dbraw/zinc/81/28/28/1414812828.db2.gz IGJAZSXEDVNAOS-FQEVSTJZSA-N 1 0 393.535 3.238 20 30 GGEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123750823 1414819663 /nfs/dbraw/zinc/81/96/63/1414819663.db2.gz YFHWUKGEWFCNMJ-LSDHHAIUSA-N 1 0 385.899 3.227 20 30 GGEDRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000123882994 1414842456 /nfs/dbraw/zinc/84/24/56/1414842456.db2.gz WUCPBGSHJZGDHP-OALUTQOASA-N 1 0 395.551 3.441 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000123950228 1414856195 /nfs/dbraw/zinc/85/61/95/1414856195.db2.gz KYTDWJLJYLJVBQ-GOSISDBHSA-N 1 0 384.505 3.070 20 30 GGEDRO CC[C@H]1CN(C(NCCc2nc(-c3cccc(Cl)c3)no2)=[NH+]C)CCS1 ZINC000123963727 1414858181 /nfs/dbraw/zinc/85/81/81/1414858181.db2.gz GCGWQQMZBMXJES-HNNXBMFYSA-N 1 0 393.944 3.335 20 30 GGEDRO CC[C@@H]1CN(C(NCCc2nc(-c3cccc(Cl)c3)no2)=[NH+]C)CCS1 ZINC000123963497 1414858300 /nfs/dbraw/zinc/85/83/00/1414858300.db2.gz GCGWQQMZBMXJES-OAHLLOKOSA-N 1 0 393.944 3.335 20 30 GGEDRO COc1ccc(-c2noc(CN3CC[NH+](CC(C)(C)CCC#N)CC3)n2)cc1 ZINC000124058486 1414877431 /nfs/dbraw/zinc/87/74/31/1414877431.db2.gz DAQLVCURVFWHPJ-UHFFFAOYSA-N 1 0 383.496 3.193 20 30 GGEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124097431 1414885392 /nfs/dbraw/zinc/88/53/92/1414885392.db2.gz QMCZMZLCCXWVQH-HXUWFJFHSA-N 1 0 393.466 3.268 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124133590 1414892344 /nfs/dbraw/zinc/89/23/44/1414892344.db2.gz MRDWYRWAIVYTEB-FQEVSTJZSA-N 1 0 393.466 3.268 20 30 GGEDRO CC(C)(C)C[N@H+](CCC#N)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124136031 1414893015 /nfs/dbraw/zinc/89/30/15/1414893015.db2.gz QTDYMNXIAXOORM-UHFFFAOYSA-N 1 0 377.286 3.378 20 30 GGEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCCOc3ccc(C#N)cc3)C2)nc1 ZINC000177738074 1428846454 /nfs/dbraw/zinc/84/64/54/1428846454.db2.gz FTRRHGDDKUFHKU-IBGZPJMESA-N 1 0 378.476 3.381 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000124256230 1414922375 /nfs/dbraw/zinc/92/23/75/1414922375.db2.gz RKHQCPFMONDZIP-NRFANRHFSA-N 1 0 393.487 3.143 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)ccc1OC ZINC000124309169 1414935882 /nfs/dbraw/zinc/93/58/82/1414935882.db2.gz VCYQKRLVGDYZTL-YADHBBJMSA-N 1 0 396.531 3.375 20 30 GGEDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000124410125 1414961078 /nfs/dbraw/zinc/96/10/78/1414961078.db2.gz ZFFYWSHOOOOODF-UHFFFAOYSA-N 1 0 389.443 3.072 20 30 GGEDRO C=CCc1cc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc(OC)c1O ZINC000124607962 1415004411 /nfs/dbraw/zinc/00/44/11/1415004411.db2.gz LKUHKHXGXDBJPZ-UHFFFAOYSA-N 1 0 397.475 3.211 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000124650319 1415013679 /nfs/dbraw/zinc/01/36/79/1415013679.db2.gz HRPGXLBJIPSXFR-HNNXBMFYSA-N 1 0 380.448 3.059 20 30 GGEDRO CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124785464 1415043614 /nfs/dbraw/zinc/04/36/14/1415043614.db2.gz YUXWTJFUDKHWCZ-GOTSBHOMSA-N 1 0 396.579 3.286 20 30 GGEDRO CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124785241 1415044020 /nfs/dbraw/zinc/04/40/20/1415044020.db2.gz YUXWTJFUDKHWCZ-PKTZIBPZSA-N 1 0 396.579 3.286 20 30 GGEDRO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124807923 1415049414 /nfs/dbraw/zinc/04/94/14/1415049414.db2.gz QFEHLWHHPRREAL-SLFFLAALSA-N 1 0 382.552 3.244 20 30 GGEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125011843 1415091695 /nfs/dbraw/zinc/09/16/95/1415091695.db2.gz XYCINNBBGALLLO-UHFFFAOYSA-N 1 0 393.459 3.109 20 30 GGEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000177823461 1428865656 /nfs/dbraw/zinc/86/56/56/1428865656.db2.gz GFCIVPQEJXEWPR-OAHLLOKOSA-N 1 0 389.546 3.050 20 30 GGEDRO C[N@@H+]1CCC[C@H]1CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N ZINC000125123787 1415114298 /nfs/dbraw/zinc/11/42/98/1415114298.db2.gz WQCCZGAUWHIFOT-INIZCTEOSA-N 1 0 381.505 3.364 20 30 GGEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000125247268 1415140142 /nfs/dbraw/zinc/14/01/42/1415140142.db2.gz LAGYWUWTDVTDJD-FQEVSTJZSA-N 1 0 398.894 3.485 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125273954 1415148820 /nfs/dbraw/zinc/14/88/20/1415148820.db2.gz MRJRMSKZSDERRJ-CYBMUJFWSA-N 1 0 394.903 3.385 20 30 GGEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125273767 1415148989 /nfs/dbraw/zinc/14/89/89/1415148989.db2.gz MRJRMSKZSDERRJ-ZDUSSCGKSA-N 1 0 394.903 3.385 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(C#N)cc1 ZINC000125278484 1415150252 /nfs/dbraw/zinc/15/02/52/1415150252.db2.gz MTBHBNREPWKIKJ-UHFFFAOYSA-N 1 0 376.460 3.146 20 30 GGEDRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000125290178 1415153816 /nfs/dbraw/zinc/15/38/16/1415153816.db2.gz FVDKTOLLIXFNEV-UHFFFAOYSA-N 1 0 394.903 3.387 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC000125358624 1415174510 /nfs/dbraw/zinc/17/45/10/1415174510.db2.gz GXZCNAHPWFNHGD-UHFFFAOYSA-N 1 0 377.488 3.454 20 30 GGEDRO Cc1cccc(C)c1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000125374950 1415179962 /nfs/dbraw/zinc/17/99/62/1415179962.db2.gz SRPMSFJAZOHJAA-UHFFFAOYSA-N 1 0 378.520 3.491 20 30 GGEDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000125416734 1415192384 /nfs/dbraw/zinc/19/23/84/1415192384.db2.gz OHZUOBUOYZAFEC-GJZGRUSLSA-N 1 0 375.900 3.173 20 30 GGEDRO N#CC1(c2ccccc2)CC([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)C1 ZINC000125528288 1415220553 /nfs/dbraw/zinc/22/05/53/1415220553.db2.gz URNYVHLKXSLTNI-OOMBGRCJSA-N 1 0 379.479 3.413 20 30 GGEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000125653807 1415246774 /nfs/dbraw/zinc/24/67/74/1415246774.db2.gz LPEIZCMJAMJMGO-OAQYLSRUSA-N 1 0 379.460 3.185 20 30 GGEDRO CCOc1ccc(NC(=O)CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000177895725 1428885795 /nfs/dbraw/zinc/88/57/95/1428885795.db2.gz JPCYSEJVMOAIMX-UHFFFAOYSA-N 1 0 392.503 3.498 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000177895762 1428885990 /nfs/dbraw/zinc/88/59/90/1428885990.db2.gz KGPJALWVWVSKTB-SFHVURJKSA-N 1 0 398.528 3.334 20 30 GGEDRO CC[N@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125746760 1415268845 /nfs/dbraw/zinc/26/88/45/1415268845.db2.gz COBGHOVZDUZKCQ-INIZCTEOSA-N 1 0 394.475 3.436 20 30 GGEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)C[C@@H](C)O1 ZINC000177902766 1428887608 /nfs/dbraw/zinc/88/76/08/1428887608.db2.gz FTMYBBOHKSBJFN-HZPDHXFCSA-N 1 0 388.487 3.441 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(OC(F)F)cc1 ZINC000125808668 1415286292 /nfs/dbraw/zinc/28/62/92/1415286292.db2.gz VORBOSWTWWDRLA-WMLDXEAASA-N 1 0 376.403 3.445 20 30 GGEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000125827025 1415291314 /nfs/dbraw/zinc/29/13/14/1415291314.db2.gz JOVWZYGPCMMKKA-HNAYVOBHSA-N 1 0 387.480 3.029 20 30 GGEDRO C[NH+]=C(NCc1ccn(C)c1)NCC1(c2cccc(Br)c2)CC1 ZINC000125876809 1415302311 /nfs/dbraw/zinc/30/23/11/1415302311.db2.gz PWKPFDYPHSVCFF-UHFFFAOYSA-N 1 0 375.314 3.184 20 30 GGEDRO N#Cc1cccc(OCCC[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000125956016 1415321962 /nfs/dbraw/zinc/32/19/62/1415321962.db2.gz PPTUINSXCDURTI-LJQANCHMSA-N 1 0 382.439 3.362 20 30 GGEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cccc(C)c1C#N ZINC000125960063 1415323111 /nfs/dbraw/zinc/32/31/11/1415323111.db2.gz ULSRPPBPIVBVRC-UHFFFAOYSA-N 1 0 391.459 3.152 20 30 GGEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC000126101135 1415358230 /nfs/dbraw/zinc/35/82/30/1415358230.db2.gz FXAVMVKFQGFCRA-SFHVURJKSA-N 1 0 382.508 3.128 20 30 GGEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc21 ZINC000126127488 1415365078 /nfs/dbraw/zinc/36/50/78/1415365078.db2.gz IDRZBKWLLLOYHK-UHFFFAOYSA-N 1 0 376.460 3.286 20 30 GGEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)C1 ZINC000126176964 1415377905 /nfs/dbraw/zinc/37/79/05/1415377905.db2.gz AMXNQHHIDGEWJC-XERBYJISSA-N 1 0 389.499 3.309 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 ZINC000126210587 1415385204 /nfs/dbraw/zinc/38/52/04/1415385204.db2.gz HROJFEBWAUUNFC-SFHVURJKSA-N 1 0 395.551 3.451 20 30 GGEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000126251404 1415394511 /nfs/dbraw/zinc/39/45/11/1415394511.db2.gz YGTVNBBTUKDQFQ-UHFFFAOYSA-N 1 0 399.535 3.305 20 30 GGEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000126419718 1415447277 /nfs/dbraw/zinc/44/72/77/1415447277.db2.gz ZCAGMJWRZFXITL-INIZCTEOSA-N 1 0 394.475 3.136 20 30 GGEDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000126445701 1415455436 /nfs/dbraw/zinc/45/54/36/1415455436.db2.gz ZHPAFMPPRUMODJ-UHFFFAOYSA-N 1 0 389.443 3.072 20 30 GGEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000177996865 1428922756 /nfs/dbraw/zinc/92/27/56/1428922756.db2.gz OEMPQJUIASYSHE-LEWJYISDSA-N 1 0 382.508 3.011 20 30 GGEDRO Cc1ccc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000126827788 1415574026 /nfs/dbraw/zinc/57/40/26/1415574026.db2.gz BTYIBJUZMMYRTE-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000126872286 1415591455 /nfs/dbraw/zinc/59/14/55/1415591455.db2.gz XJEABYLXPAUJRC-NRFANRHFSA-N 1 0 379.545 3.180 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178047269 1428955684 /nfs/dbraw/zinc/95/56/84/1428955684.db2.gz MAAVVUXPXWLCMD-MRXNPFEDSA-N 1 0 396.516 3.090 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1ccc2c(c1)OCO2 ZINC000126959669 1415618682 /nfs/dbraw/zinc/61/86/82/1415618682.db2.gz NKNSZPFKSHMMGS-HNNXBMFYSA-N 1 0 383.423 3.322 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178063736 1428964634 /nfs/dbraw/zinc/96/46/34/1428964634.db2.gz UMKSFPHYWJGANH-SFHVURJKSA-N 1 0 390.487 3.029 20 30 GGEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000127237103 1415698610 /nfs/dbraw/zinc/69/86/10/1415698610.db2.gz QQOVWHJESMKSGN-GASCZTMLSA-N 1 0 391.462 3.188 20 30 GGEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000127267852 1415710445 /nfs/dbraw/zinc/71/04/45/1415710445.db2.gz LSVCWXGNENCGIW-HXUWFJFHSA-N 1 0 383.879 3.093 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]C[C@H](O)CN2CCc3ccccc3C2)ccc1OC ZINC000127274939 1415713384 /nfs/dbraw/zinc/71/33/84/1415713384.db2.gz QBBGLANEVOQZEZ-QFIPXVFZSA-N 1 0 396.531 3.159 20 30 GGEDRO C#CCCN1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000127285878 1415719261 /nfs/dbraw/zinc/71/92/61/1415719261.db2.gz KLMMEECTYVWCTL-ZDUSSCGKSA-N 1 0 387.833 3.327 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178101588 1428981786 /nfs/dbraw/zinc/98/17/86/1428981786.db2.gz NOASJAVEXPBDAE-SFHVURJKSA-N 1 0 375.472 3.020 20 30 GGEDRO N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000178126839 1428991492 /nfs/dbraw/zinc/99/14/92/1428991492.db2.gz UTWBJBFHSSEDAZ-FQEVSTJZSA-N 1 0 380.536 3.252 20 30 GGEDRO C=C(C)COCCNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000127447142 1415781462 /nfs/dbraw/zinc/78/14/62/1415781462.db2.gz HDDAXTUXLUFYCJ-HXUWFJFHSA-N 1 0 375.513 3.114 20 30 GGEDRO C=C(C)COCCNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000127446911 1415781984 /nfs/dbraw/zinc/78/19/84/1415781984.db2.gz HDDAXTUXLUFYCJ-FQEVSTJZSA-N 1 0 375.513 3.114 20 30 GGEDRO C#CCCOc1ccc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000127509554 1415802496 /nfs/dbraw/zinc/80/24/96/1415802496.db2.gz QLEDGAYWEVYRMA-OAQYLSRUSA-N 1 0 391.515 3.398 20 30 GGEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]C3CC(C#N)(c4ccccc4)C3)C2)c1 ZINC000127510369 1415802846 /nfs/dbraw/zinc/80/28/46/1415802846.db2.gz NQGCFOZANNVWDI-HGCBZUSOSA-N 1 0 377.488 3.496 20 30 GGEDRO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000127586021 1415814257 /nfs/dbraw/zinc/81/42/57/1415814257.db2.gz BEIQQOSNPMPGCW-ZIAGYGMSSA-N 1 0 380.448 3.203 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(N4CCNC4=O)CC3)c2)c1 ZINC000127613039 1415819619 /nfs/dbraw/zinc/81/96/19/1415819619.db2.gz WGDYGDHFOCQDOF-UHFFFAOYSA-N 1 0 390.487 3.127 20 30 GGEDRO CN(C)c1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)NC(C)(C)C)cc1 ZINC000127677301 1415831509 /nfs/dbraw/zinc/83/15/09/1415831509.db2.gz KZLMQLYEKCLASR-UHFFFAOYSA-O 1 0 398.552 3.302 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)NC(C)(C)C)cc1 ZINC000127693338 1415834735 /nfs/dbraw/zinc/83/47/35/1415834735.db2.gz ZKDGEBNRDWXLJC-UHFFFAOYSA-O 1 0 385.509 3.381 20 30 GGEDRO CCC1(CO)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000127779496 1415848972 /nfs/dbraw/zinc/84/89/72/1415848972.db2.gz UHQKPRSCLYWZCR-UHFFFAOYSA-N 1 0 375.538 3.312 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(C(=O)CCOC)CC2)cc1 ZINC000127890310 1415870730 /nfs/dbraw/zinc/87/07/30/1415870730.db2.gz TZQRTKZUOIPOMV-INIZCTEOSA-N 1 0 380.916 3.496 20 30 GGEDRO C[NH+]=C(NCC1(c2cccc(Br)c2)CC1)N(C)C[C@H]1CCOC1 ZINC000128014340 1415893351 /nfs/dbraw/zinc/89/33/51/1415893351.db2.gz PCJLPZZUPDHYLI-CQSZACIVSA-N 1 0 380.330 3.024 20 30 GGEDRO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000128025623 1415895390 /nfs/dbraw/zinc/89/53/90/1415895390.db2.gz VMRHRUULTBQRMZ-IBGZPJMESA-N 1 0 388.515 3.044 20 30 GGEDRO C[NH+]=C(NCc1ccn(C)c1)NCC1(c2ccccc2Br)CC1 ZINC000128071422 1415905764 /nfs/dbraw/zinc/90/57/64/1415905764.db2.gz QPAIOTCHDPHATM-UHFFFAOYSA-N 1 0 375.314 3.184 20 30 GGEDRO CO/N=C/c1ccc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000178240770 1429028807 /nfs/dbraw/zinc/02/88/07/1429028807.db2.gz MMVURFNFAZKHGD-FPTXZJODSA-N 1 0 387.524 3.018 20 30 GGEDRO CO/N=C/c1ccc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000178240793 1429028928 /nfs/dbraw/zinc/02/89/28/1429028928.db2.gz MMVURFNFAZKHGD-JPHQKMQESA-N 1 0 387.524 3.018 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2ccc(-c3ccccc3)o2)c1C#N ZINC000128130821 1415920246 /nfs/dbraw/zinc/92/02/46/1415920246.db2.gz HHQBWAYRSZAFFQ-UHFFFAOYSA-N 1 0 377.448 3.265 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)c1C#N ZINC000128197614 1415936725 /nfs/dbraw/zinc/93/67/25/1415936725.db2.gz LWLNGARPILYCLX-AWEZNQCLSA-N 1 0 383.496 3.137 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)c1C#N ZINC000128198089 1415936840 /nfs/dbraw/zinc/93/68/40/1415936840.db2.gz BNJQTIHKZMPPOS-HNNXBMFYSA-N 1 0 383.496 3.271 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1C#N ZINC000128221274 1415942769 /nfs/dbraw/zinc/94/27/69/1415942769.db2.gz CGHUHOSXCNFSBT-CQSZACIVSA-N 1 0 383.496 3.137 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1 ZINC000178221705 1429021767 /nfs/dbraw/zinc/02/17/67/1429021767.db2.gz DSLZIFKKZWOXBJ-UHFFFAOYSA-N 1 0 394.401 3.058 20 30 GGEDRO C=CCNC(=O)c1ccc(NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)nc1 ZINC000178229317 1429024588 /nfs/dbraw/zinc/02/45/88/1429024588.db2.gz OUXFLZOIDSCTPA-IBGZPJMESA-N 1 0 380.492 3.255 20 30 GGEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)nc1 ZINC000128358655 1415970738 /nfs/dbraw/zinc/97/07/38/1415970738.db2.gz KQXIGOKFADRRKP-LJQANCHMSA-N 1 0 378.476 3.381 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000128574923 1416016826 /nfs/dbraw/zinc/01/68/26/1416016826.db2.gz XPWFLLOWMZWLCN-ROUUACIJSA-N 1 0 397.544 3.134 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000128603932 1416023347 /nfs/dbraw/zinc/02/33/47/1416023347.db2.gz MBICTENRPUAQCA-ROUUACIJSA-N 1 0 397.544 3.188 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000128604193 1416023395 /nfs/dbraw/zinc/02/33/95/1416023395.db2.gz MBICTENRPUAQCA-QZTJIDSGSA-N 1 0 397.544 3.188 20 30 GGEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2ccc(C#N)cc2F)CC1 ZINC000178342737 1429055758 /nfs/dbraw/zinc/05/57/58/1429055758.db2.gz YWIBPFCNIAWXIU-UHFFFAOYSA-N 1 0 381.451 3.119 20 30 GGEDRO CC[NH+]1CCN([C@H](C)CNc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000178347470 1429057515 /nfs/dbraw/zinc/05/75/15/1429057515.db2.gz MXGDEQZBMFIYKD-CYBMUJFWSA-N 1 0 375.879 3.337 20 30 GGEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000178296832 1429045184 /nfs/dbraw/zinc/04/51/84/1429045184.db2.gz ZGCUUTBOMLMCNI-UHFFFAOYSA-N 1 0 381.451 3.314 20 30 GGEDRO Cc1ccccc1NC(=[NH2+])NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000178299946 1429046534 /nfs/dbraw/zinc/04/65/34/1429046534.db2.gz WVCBGYYZCTURJS-OAHLLOKOSA-N 1 0 381.398 3.471 20 30 GGEDRO C[NH+]1CCN(CCOc2ccc(NC3CC(C#N)(c4ccccc4)C3)cc2)CC1 ZINC000129110125 1416147365 /nfs/dbraw/zinc/14/73/65/1416147365.db2.gz VVECVKKTNRWHGI-UHFFFAOYSA-N 1 0 390.531 3.349 20 30 GGEDRO Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c(O[C@@H]2CCOC2)c1 ZINC000129177921 1416163364 /nfs/dbraw/zinc/16/33/64/1416163364.db2.gz UNGJAELCDQQGIF-IEBWSBKVSA-N 1 0 381.476 3.091 20 30 GGEDRO Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c(O[C@H]2CCOC2)c1 ZINC000129178155 1416164065 /nfs/dbraw/zinc/16/40/65/1416164065.db2.gz UNGJAELCDQQGIF-PKOBYXMFSA-N 1 0 381.476 3.091 20 30 GGEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000178405098 1429071174 /nfs/dbraw/zinc/07/11/74/1429071174.db2.gz LOGXBRHCNJMCQU-ROUUACIJSA-N 1 0 387.528 3.004 20 30 GGEDRO COc1cc(CCNC(=[NH2+])Nc2cccc3c2CCCC3)c([N+](=O)[O-])cc1OC ZINC000178421560 1429074417 /nfs/dbraw/zinc/07/44/17/1429074417.db2.gz LAIQGJVRFVCJLC-UHFFFAOYSA-N 1 0 398.463 3.460 20 30 GGEDRO C=CCOc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1Cl ZINC000129272370 1416183445 /nfs/dbraw/zinc/18/34/45/1416183445.db2.gz QZTMWJMTIHBGQA-UHFFFAOYSA-N 1 0 391.943 3.035 20 30 GGEDRO CC(C)OC(=O)[C@H](C)N(C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000129619087 1416237882 /nfs/dbraw/zinc/23/78/82/1416237882.db2.gz XOYXOCAQHUHLQN-ZDUSSCGKSA-N 1 0 377.510 3.099 20 30 GGEDRO C=CCNc1ncc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000129676377 1416247214 /nfs/dbraw/zinc/24/72/14/1416247214.db2.gz RABDUFUIIAWDSY-IYBDPMFKSA-N 1 0 392.569 3.093 20 30 GGEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000129714142 1416252457 /nfs/dbraw/zinc/25/24/57/1416252457.db2.gz MBGWQUHSPZLNKZ-JOCHJYFZSA-N 1 0 395.503 3.218 20 30 GGEDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2C)[NH+]2CCCC2)cc1 ZINC000178458772 1429081687 /nfs/dbraw/zinc/08/16/87/1429081687.db2.gz IEAFSWFYDNMKMG-NRFANRHFSA-N 1 0 390.487 3.067 20 30 GGEDRO COc1ccc2[nH]cc(CC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2c1 ZINC000129885990 1416280081 /nfs/dbraw/zinc/28/00/81/1416280081.db2.gz JMZMHUSDNPTSPE-UHFFFAOYSA-N 1 0 390.487 3.181 20 30 GGEDRO N#CCCn1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000129898108 1416281826 /nfs/dbraw/zinc/28/18/26/1416281826.db2.gz VHYJWYCRJOGQAX-UXHICEINSA-N 1 0 392.507 3.315 20 30 GGEDRO CC(C)(O)C[NH+]1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000129998980 1416300368 /nfs/dbraw/zinc/30/03/68/1416300368.db2.gz KRSAURFYIWVKPS-UHFFFAOYSA-N 1 0 379.504 3.026 20 30 GGEDRO C=C(C)COCCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000130011349 1416302274 /nfs/dbraw/zinc/30/22/74/1416302274.db2.gz APLDIJUIHTUXEV-UHFFFAOYSA-N 1 0 379.932 3.444 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1c(C)cccc1C ZINC000130040603 1416307320 /nfs/dbraw/zinc/30/73/20/1416307320.db2.gz UCXJZWPXNLUJPM-UHFFFAOYSA-N 1 0 378.476 3.464 20 30 GGEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000130058271 1416309899 /nfs/dbraw/zinc/30/98/99/1416309899.db2.gz PCBCVPYEIFQDEC-IBGZPJMESA-N 1 0 391.515 3.452 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000130058475 1416310496 /nfs/dbraw/zinc/31/04/96/1416310496.db2.gz PCBCVPYEIFQDEC-LJQANCHMSA-N 1 0 391.515 3.452 20 30 GGEDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000178495483 1429090372 /nfs/dbraw/zinc/09/03/72/1429090372.db2.gz ZJDNIANMXNCEML-UHFFFAOYSA-N 1 0 391.924 3.354 20 30 GGEDRO [NH2+]=C(NCc1ccc(COC2CCOCC2)cc1)N[C@H]1CCOc2ccccc21 ZINC000130634632 1416414740 /nfs/dbraw/zinc/41/47/40/1416414740.db2.gz SJAREZIISKZPRF-NRFANRHFSA-N 1 0 395.503 3.310 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c1C#N ZINC000130660921 1416420181 /nfs/dbraw/zinc/42/01/81/1416420181.db2.gz DSTYWAOCOOCFSE-HKUYNNGSSA-N 1 0 399.539 3.054 20 30 GGEDRO CCOc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000130755314 1416442824 /nfs/dbraw/zinc/44/28/24/1416442824.db2.gz QRYPPRPYCWEOCB-QGZVFWFLSA-N 1 0 395.503 3.444 20 30 GGEDRO Cc1nc(C(=O)N(CCC#N)CCC[NH+](C)C)nn1-c1ccccc1C(C)C ZINC000130772891 1416447305 /nfs/dbraw/zinc/44/73/05/1416447305.db2.gz WOLZBDGGWDKVNN-UHFFFAOYSA-N 1 0 382.512 3.007 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000130789850 1416451635 /nfs/dbraw/zinc/45/16/35/1416451635.db2.gz DDNKOTJHNAHFRN-UHFFFAOYSA-N 1 0 394.306 3.487 20 30 GGEDRO C[C@@H]1C[C@@H](N(C)C(=O)CNc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000130828444 1416461202 /nfs/dbraw/zinc/46/12/02/1416461202.db2.gz LQEOHVBPCJJZEW-GCJKJVERSA-N 1 0 376.504 3.482 20 30 GGEDRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000130867159 1416471391 /nfs/dbraw/zinc/47/13/91/1416471391.db2.gz LVQRRAHWPQAHFS-CYBMUJFWSA-N 1 0 395.912 3.328 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCOCC3CC3)sc2C1 ZINC000130886562 1416475715 /nfs/dbraw/zinc/47/57/15/1416475715.db2.gz VRKRUPMMKCUKCA-CQSZACIVSA-N 1 0 375.538 3.432 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)[NH+]1CCCC1 ZINC000130898365 1416477439 /nfs/dbraw/zinc/47/74/39/1416477439.db2.gz MLLFIMWBWACUMR-OAQYLSRUSA-N 1 0 393.487 3.093 20 30 GGEDRO CN(CCC#N)C(=O)CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000130944471 1416485528 /nfs/dbraw/zinc/48/55/28/1416485528.db2.gz ZZUULGZKNAYQRN-UHFFFAOYSA-N 1 0 390.531 3.156 20 30 GGEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000131044428 1416500624 /nfs/dbraw/zinc/50/06/24/1416500624.db2.gz IQQCKWFLPMXCII-IBGZPJMESA-N 1 0 385.533 3.379 20 30 GGEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000131082563 1416506146 /nfs/dbraw/zinc/50/61/46/1416506146.db2.gz KRSSZUOZYOOULB-FQEVSTJZSA-N 1 0 398.551 3.479 20 30 GGEDRO CCOc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000131170220 1416518849 /nfs/dbraw/zinc/51/88/49/1416518849.db2.gz WXYJBFMDPQCGGT-QGZVFWFLSA-N 1 0 395.503 3.444 20 30 GGEDRO COCC[N@H+](C)CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000131192025 1416521792 /nfs/dbraw/zinc/52/17/92/1416521792.db2.gz BHKKUYAREDTTCM-UHFFFAOYSA-N 1 0 387.867 3.312 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NCCSC)[n+]1ccc(C)cc1 ZINC000131249982 1416530109 /nfs/dbraw/zinc/53/01/09/1416530109.db2.gz SMOBBRFPIWWQOV-UHFFFAOYSA-O 1 0 389.566 3.491 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000131275067 1416533264 /nfs/dbraw/zinc/53/32/64/1416533264.db2.gz IPKIPFHNVOJIID-HXUWFJFHSA-N 1 0 396.535 3.190 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000131274850 1416533383 /nfs/dbraw/zinc/53/33/83/1416533383.db2.gz IPKIPFHNVOJIID-FQEVSTJZSA-N 1 0 396.535 3.190 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131329374 1416540811 /nfs/dbraw/zinc/54/08/11/1416540811.db2.gz NVYPYWRRKCKPBV-QZTJIDSGSA-N 1 0 386.565 3.339 20 30 GGEDRO C=C(C)COc1cc(CNc2ccc(N3CC[NH+](C)CC3)cn2)ccc1OC ZINC000131516520 1416569932 /nfs/dbraw/zinc/56/99/32/1416569932.db2.gz HOXNQQPOBQVSBY-UHFFFAOYSA-N 1 0 382.508 3.409 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCCCc2c[nH]c3ccccc23)cc1OC ZINC000178570804 1429109750 /nfs/dbraw/zinc/10/97/50/1429109750.db2.gz YEECKAOTYFGUNI-UHFFFAOYSA-N 1 0 380.492 3.265 20 30 GGEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131653691 1416591168 /nfs/dbraw/zinc/59/11/68/1416591168.db2.gz IBUPGRMCPRWEPT-LJQANCHMSA-N 1 0 377.488 3.192 20 30 GGEDRO CCC(CC)[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000131663307 1416592696 /nfs/dbraw/zinc/59/26/96/1416592696.db2.gz OFLCKDQETQHGSB-RTWAWAEBSA-N 1 0 386.540 3.468 20 30 GGEDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(C#N)c3C)cc2F)CC1 ZINC000178572893 1429110443 /nfs/dbraw/zinc/11/04/43/1429110443.db2.gz YAWAKALQHNVHIS-UHFFFAOYSA-N 1 0 395.482 3.469 20 30 GGEDRO [NH2+]=C(NCc1cccc(-n2cncn2)c1)Nc1ccccc1OC(F)(F)F ZINC000178574701 1429110957 /nfs/dbraw/zinc/11/09/57/1429110957.db2.gz ZBOVSHTVBLRJTM-UHFFFAOYSA-N 1 0 376.342 3.093 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000178577589 1429112536 /nfs/dbraw/zinc/11/25/36/1429112536.db2.gz NMYJYKFJVRENFB-UHFFFAOYSA-N 1 0 385.855 3.046 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000131818110 1416627863 /nfs/dbraw/zinc/62/78/63/1416627863.db2.gz WZXUXEGTAAGXDR-GOSISDBHSA-N 1 0 393.487 3.069 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000131827895 1416630555 /nfs/dbraw/zinc/63/05/55/1416630555.db2.gz MPMSVRGZSJMDET-IBGZPJMESA-N 1 0 377.488 3.254 20 30 GGEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@](C)(O)c2ccc(F)cc2F)c1 ZINC000178589835 1429114758 /nfs/dbraw/zinc/11/47/58/1429114758.db2.gz ADJSGMMUYVLXSH-FQEVSTJZSA-N 1 0 393.434 3.397 20 30 GGEDRO CC(C)C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000178593248 1429115574 /nfs/dbraw/zinc/11/55/74/1429115574.db2.gz QCHQXPLFAQXMST-GOSISDBHSA-N 1 0 398.551 3.476 20 30 GGEDRO C[NH+](C)CCOc1cccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000131958631 1416659996 /nfs/dbraw/zinc/65/99/96/1416659996.db2.gz RGKDPTXTNVZMPF-OAQYLSRUSA-N 1 0 380.492 3.471 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131964965 1416661994 /nfs/dbraw/zinc/66/19/94/1416661994.db2.gz YLCVAHWQJCVQES-ROUUACIJSA-N 1 0 392.565 3.169 20 30 GGEDRO N#Cc1ccc(OCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000132023633 1416676301 /nfs/dbraw/zinc/67/63/01/1416676301.db2.gz HRVQHSQWTTWWKL-GMAHTHKFSA-N 1 0 389.499 3.450 20 30 GGEDRO N#Cc1ccccc1OCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000132118901 1416700607 /nfs/dbraw/zinc/70/06/07/1416700607.db2.gz WCSBHWMWPHDASP-YADHBBJMSA-N 1 0 389.499 3.450 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000132282055 1416728533 /nfs/dbraw/zinc/72/85/33/1416728533.db2.gz PEWWBCAFUGOPMJ-KSFYIVLOSA-N 1 0 395.528 3.300 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000132398516 1416752463 /nfs/dbraw/zinc/75/24/63/1416752463.db2.gz GMISXBQACIZBJN-KRWDZBQOSA-N 1 0 389.540 3.393 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000132415898 1416756451 /nfs/dbraw/zinc/75/64/51/1416756451.db2.gz JBJWKCCIDJRXNU-OPAMFIHVSA-N 1 0 395.528 3.443 20 30 GGEDRO C[C@H]1C[C@H](N(C)C(=O)COc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000132421265 1416757095 /nfs/dbraw/zinc/75/70/95/1416757095.db2.gz IJFYGFCBNZHTFZ-GHTZIAJQSA-N 1 0 377.488 3.449 20 30 GGEDRO C=CCNC(=O)C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000132463007 1416766058 /nfs/dbraw/zinc/76/60/58/1416766058.db2.gz FRHWUTINLLIIPN-UHFFFAOYSA-N 1 0 380.488 3.163 20 30 GGEDRO C=C(C)COc1cc(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)ccc1OC ZINC000132539892 1416781327 /nfs/dbraw/zinc/78/13/27/1416781327.db2.gz MVJLXZJAMXOIPQ-UHFFFAOYSA-N 1 0 393.480 3.353 20 30 GGEDRO COC(=O)c1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000132609007 1416793196 /nfs/dbraw/zinc/79/31/96/1416793196.db2.gz LEZKZRCRNQAVTM-UHFFFAOYSA-N 1 0 381.451 3.192 20 30 GGEDRO Cn1ncc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C(F)(F)F ZINC000132608708 1416793407 /nfs/dbraw/zinc/79/34/07/1416793407.db2.gz MCEREOZJOXHQTJ-UHFFFAOYSA-N 1 0 377.414 3.018 20 30 GGEDRO CCCCNC(=O)C1([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)CCCCC1 ZINC000132793127 1416815783 /nfs/dbraw/zinc/81/57/83/1416815783.db2.gz BWSVRJXQNDRTBM-UHFFFAOYSA-N 1 0 390.553 3.384 20 30 GGEDRO CCCCNC(=O)C1([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)CCCCC1 ZINC000132823215 1416819708 /nfs/dbraw/zinc/81/97/08/1416819708.db2.gz MZACRLQSMKARDD-UHFFFAOYSA-N 1 0 390.915 3.359 20 30 GGEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2cccc(OCC#N)c2)CC1 ZINC000132883456 1416826937 /nfs/dbraw/zinc/82/69/37/1416826937.db2.gz XHMMLYRTFVPTBF-QGZVFWFLSA-N 1 0 393.491 3.009 20 30 GGEDRO C[C@@H](CS(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000133061245 1416847543 /nfs/dbraw/zinc/84/75/43/1416847543.db2.gz TUMGJQINXMPYGU-SFHVURJKSA-N 1 0 385.533 3.055 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)c1C#N ZINC000133249006 1416869936 /nfs/dbraw/zinc/86/99/36/1416869936.db2.gz ACPQPIURUBUVKC-VXGBXAGGSA-N 1 0 392.290 3.482 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000133276901 1416873388 /nfs/dbraw/zinc/87/33/88/1416873388.db2.gz NJAYAJSEUSFOGE-CABCVRRESA-N 1 0 390.553 3.112 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000133297239 1416875789 /nfs/dbraw/zinc/87/57/89/1416875789.db2.gz NXWIUZUYFIGFAJ-HXUWFJFHSA-N 1 0 378.476 3.086 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1C#N ZINC000133419934 1416887986 /nfs/dbraw/zinc/88/79/86/1416887986.db2.gz YUZBCIMQKXLEHD-CHWSQXEVSA-N 1 0 392.290 3.482 20 30 GGEDRO CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000133425156 1416888655 /nfs/dbraw/zinc/88/86/55/1416888655.db2.gz BODWXXMIOYCHEY-PZJWPPBQSA-N 1 0 396.535 3.072 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)c1C#N ZINC000133576440 1416908687 /nfs/dbraw/zinc/90/86/87/1416908687.db2.gz NENIYLCTOYLMSE-HNNXBMFYSA-N 1 0 382.512 3.451 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)c1C#N ZINC000133653057 1416932144 /nfs/dbraw/zinc/93/21/44/1416932144.db2.gz ZGWFJBNGJRNTNY-JTQLQIEISA-N 1 0 396.278 3.146 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2ccc3c(c2)CCCC3)c1C#N ZINC000133683680 1416940274 /nfs/dbraw/zinc/94/02/74/1416940274.db2.gz DZZMPILXMKWIFA-UHFFFAOYSA-N 1 0 395.507 3.110 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1C#N ZINC000133766329 1416959424 /nfs/dbraw/zinc/95/94/24/1416959424.db2.gz XCOUVTCWWRNPDE-ZDUSSCGKSA-N 1 0 390.491 3.292 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)ccc2OC(C)C)c1C#N ZINC000133791722 1416963990 /nfs/dbraw/zinc/96/39/90/1416963990.db2.gz ACNCPQWHXWPYAI-UHFFFAOYSA-N 1 0 375.860 3.126 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133793151 1416964687 /nfs/dbraw/zinc/96/46/87/1416964687.db2.gz DHZPEWQJUSDRET-IAGOWNOFSA-N 1 0 386.517 3.361 20 30 GGEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OC2CCCCC2)c1C#N ZINC000133800264 1416966070 /nfs/dbraw/zinc/96/60/70/1416966070.db2.gz APJKIODQYKAORJ-UHFFFAOYSA-N 1 0 381.480 3.397 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000178711691 1429149143 /nfs/dbraw/zinc/14/91/43/1429149143.db2.gz MLABEDQJGALRQR-WOJBJXKFSA-N 1 0 375.488 3.074 20 30 GGEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000134097300 1417022125 /nfs/dbraw/zinc/02/21/25/1417022125.db2.gz HIECBRBJAKNBRP-JOCHJYFZSA-N 1 0 375.472 3.063 20 30 GGEDRO CCS(=O)(=O)NCCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000134132916 1417027224 /nfs/dbraw/zinc/02/72/24/1417027224.db2.gz ZGTJZFIGMYXPMA-UHFFFAOYSA-N 1 0 389.496 3.029 20 30 GGEDRO CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NC[C@H]2CCCCO2)cc1 ZINC000134165790 1417032107 /nfs/dbraw/zinc/03/21/07/1417032107.db2.gz ZVSNYUHODBELJU-LJQANCHMSA-O 1 0 398.552 3.138 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NC[C@H]1CCCCO1)[n+]1ccc(C)cc1 ZINC000134202866 1417037673 /nfs/dbraw/zinc/03/76/73/1417037673.db2.gz SHGXRIZJTAEPEP-QGZVFWFLSA-O 1 0 399.536 3.389 20 30 GGEDRO O=C(c1ccc2c(c1)CCO2)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134208245 1417038091 /nfs/dbraw/zinc/03/80/91/1417038091.db2.gz RTKJEKXASDHBES-SFHVURJKSA-O 1 0 397.520 3.007 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccc(C)cc2)c(C)[nH]1 ZINC000134214135 1417038213 /nfs/dbraw/zinc/03/82/13/1417038213.db2.gz QPGQFBPXCKXCCE-KRWDZBQOSA-O 1 0 386.541 3.325 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NC[C@H]1CCCCO1)[n+]1cccc(C)c1 ZINC000134212913 1417038217 /nfs/dbraw/zinc/03/82/17/1417038217.db2.gz YZNIVVVSCMJHKZ-QGZVFWFLSA-O 1 0 399.536 3.389 20 30 GGEDRO O=C(c1ccc(F)cc1F)C(C(=S)NC[C@@H]1CCCCO1)[n+]1ccccc1 ZINC000134213481 1417038238 /nfs/dbraw/zinc/03/82/38/1417038238.db2.gz SAYHWORXYCVMQA-HNNXBMFYSA-O 1 0 391.463 3.350 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NC[C@@H]1CCCCO1)[n+]1cccc(C)c1 ZINC000134212797 1417038513 /nfs/dbraw/zinc/03/85/13/1417038513.db2.gz YZNIVVVSCMJHKZ-KRWDZBQOSA-O 1 0 399.536 3.389 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c(-c2ccccc2)n1 ZINC000134547084 1417085311 /nfs/dbraw/zinc/08/53/11/1417085311.db2.gz UNYQXOSVHFXXHH-NRFANRHFSA-N 1 0 391.519 3.344 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1OCCCC#N ZINC000134556573 1417086288 /nfs/dbraw/zinc/08/62/88/1417086288.db2.gz RQGSMZOCZKCEGE-LJQANCHMSA-N 1 0 385.508 3.258 20 30 GGEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000134672078 1417110889 /nfs/dbraw/zinc/11/08/89/1417110889.db2.gz FQIQCVOFUZCVIN-UHFFFAOYSA-N 1 0 398.894 3.175 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134778750 1417124684 /nfs/dbraw/zinc/12/46/84/1417124684.db2.gz NGPCEXLWMDIEHX-SJBKTWHCSA-N 1 0 384.451 3.025 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134899717 1417141851 /nfs/dbraw/zinc/14/18/51/1417141851.db2.gz LAUITVKRPLQGNM-AKCHCHLHSA-N 1 0 386.927 3.487 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000134901066 1417141997 /nfs/dbraw/zinc/14/19/97/1417141997.db2.gz YEFDFDVBJQXAII-NFBKMPQASA-N 1 0 394.563 3.499 20 30 GGEDRO N#Cc1ccc(NC(=O)CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000134912221 1417143719 /nfs/dbraw/zinc/14/37/19/1417143719.db2.gz GNXYBSOSMKGUMJ-UZLBHIALSA-N 1 0 386.927 3.489 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134928408 1417147184 /nfs/dbraw/zinc/14/71/84/1417147184.db2.gz KDWJWLBPWRSIIU-NJNPRVFISA-N 1 0 398.526 3.410 20 30 GGEDRO C[NH+](C)CCCOc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1 ZINC000134965430 1417153887 /nfs/dbraw/zinc/15/38/87/1417153887.db2.gz XPGFOYMYFLDPGT-UHFFFAOYSA-N 1 0 381.480 3.360 20 30 GGEDRO C=C(C)COCCNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000135016697 1417161705 /nfs/dbraw/zinc/16/17/05/1417161705.db2.gz RJTYVPSMZJMIJP-LJQANCHMSA-N 1 0 375.513 3.114 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccn(CCC#N)n1 ZINC000135029610 1417164822 /nfs/dbraw/zinc/16/48/22/1417164822.db2.gz VVIURDPEJAKFGB-XEWABKELSA-N 1 0 380.496 3.075 20 30 GGEDRO C=C(C)COCCNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000135030188 1417164895 /nfs/dbraw/zinc/16/48/95/1417164895.db2.gz WUJGOWMWDVQVPZ-KRWDZBQOSA-N 1 0 385.430 3.172 20 30 GGEDRO N#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000135252414 1417197342 /nfs/dbraw/zinc/19/73/42/1417197342.db2.gz QDIJKCVFJUAABG-GOSISDBHSA-N 1 0 396.466 3.414 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135265181 1417199037 /nfs/dbraw/zinc/19/90/37/1417199037.db2.gz DICZYLLLDYLVNO-UHFFFAOYSA-N 1 0 388.418 3.463 20 30 GGEDRO N#CCC[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000178774733 1429166150 /nfs/dbraw/zinc/16/61/50/1429166150.db2.gz BMLMBKGAZCZBJX-NRFANRHFSA-N 1 0 377.492 3.390 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000135353929 1417210650 /nfs/dbraw/zinc/21/06/50/1417210650.db2.gz MADNGBYUFFVSGD-QGZVFWFLSA-N 1 0 389.540 3.222 20 30 GGEDRO C#CCSCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000135481077 1417225532 /nfs/dbraw/zinc/22/55/32/1417225532.db2.gz XZTFADDUADNSBR-YOEHRIQHSA-N 1 0 383.920 3.138 20 30 GGEDRO CC[C@]1(C)C[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 ZINC000135728318 1417262439 /nfs/dbraw/zinc/26/24/39/1417262439.db2.gz NJBHJNYMBGNSQU-JOCHJYFZSA-N 1 0 398.507 3.447 20 30 GGEDRO CC[C@@]1(C)C[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 ZINC000135728352 1417263013 /nfs/dbraw/zinc/26/30/13/1417263013.db2.gz NJBHJNYMBGNSQU-QFIPXVFZSA-N 1 0 398.507 3.447 20 30 GGEDRO C=CCNc1ncc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)s1 ZINC000136049111 1417288513 /nfs/dbraw/zinc/28/85/13/1417288513.db2.gz HNSJXZWDOPDWPF-KRWDZBQOSA-N 1 0 386.521 3.317 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(O)cc3Cl)CC2)cc1 ZINC000136095022 1417291478 /nfs/dbraw/zinc/29/14/78/1417291478.db2.gz WHYYENXCKKRCBP-UHFFFAOYSA-N 1 0 383.879 3.194 20 30 GGEDRO C[NH+](C)CCOc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccn1 ZINC000136267930 1417306155 /nfs/dbraw/zinc/30/61/55/1417306155.db2.gz HKWQSOZYOZGWAG-UHFFFAOYSA-N 1 0 386.455 3.069 20 30 GGEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CN(Cc2ccccc2)C1 ZINC000136390067 1417313404 /nfs/dbraw/zinc/31/34/04/1417313404.db2.gz DFVPIILYIQKYIR-WMZHIEFXSA-N 1 0 389.547 3.422 20 30 GGEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC[C@@H]1CCOC1)[n+]1cccc(C)c1 ZINC000136489656 1417320707 /nfs/dbraw/zinc/32/07/07/1417320707.db2.gz APJYZJHHMZHNAF-KRWDZBQOSA-O 1 0 399.536 3.164 20 30 GGEDRO CCc1ccc(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2cccc(C)c2)cc1 ZINC000136511467 1417322647 /nfs/dbraw/zinc/32/26/47/1417322647.db2.gz TZYSBENMCRWLKR-SFHVURJKSA-O 1 0 383.537 3.410 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000136522946 1417323631 /nfs/dbraw/zinc/32/36/31/1417323631.db2.gz DIWASPRHACPXSW-KRWDZBQOSA-O 1 0 395.548 3.336 20 30 GGEDRO Cc1cc(C)c(C(=O)C(C(=S)NC[C@@H]2CCOC2)[n+]2ccccc2)cc1C ZINC000136535475 1417324623 /nfs/dbraw/zinc/32/46/23/1417324623.db2.gz PMUXWEAVASQXRA-SFHVURJKSA-O 1 0 383.537 3.464 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000178805283 1429175630 /nfs/dbraw/zinc/17/56/30/1429175630.db2.gz RZEDXUSMQHSOGC-AREMUKBSSA-N 1 0 389.908 3.410 20 30 GGEDRO CCOc1ccccc1NC(=O)CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000136577190 1417328639 /nfs/dbraw/zinc/32/86/39/1417328639.db2.gz PDRJJEWAQTWZGE-UHFFFAOYSA-N 1 0 392.503 3.498 20 30 GGEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000178805375 1429175800 /nfs/dbraw/zinc/17/58/00/1429175800.db2.gz RDOHUHFIDOLZQA-QGZVFWFLSA-N 1 0 393.491 3.009 20 30 GGEDRO C=C(C)CN1CCC([NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000137461162 1417387361 /nfs/dbraw/zinc/38/73/61/1417387361.db2.gz UCIKRUUHBCNAFZ-HKUYNNGSSA-N 1 0 381.561 3.031 20 30 GGEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000137540326 1417390366 /nfs/dbraw/zinc/39/03/66/1417390366.db2.gz KHZPQORYJMEXHJ-QGZVFWFLSA-N 1 0 376.456 3.109 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F ZINC000138378564 1417413121 /nfs/dbraw/zinc/41/31/21/1417413121.db2.gz KIDWBLXAQCKJOR-UHFFFAOYSA-N 1 0 392.475 3.480 20 30 GGEDRO N#Cc1ccccc1OCC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000138709184 1417435492 /nfs/dbraw/zinc/43/54/92/1417435492.db2.gz HVBNHRUERZWPHS-UHFFFAOYSA-N 1 0 381.501 3.167 20 30 GGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(C[NH+](C)C)CC2)cc1C ZINC000139960229 1417483150 /nfs/dbraw/zinc/48/31/50/1417483150.db2.gz BUICHVUELSWXEJ-UHFFFAOYSA-N 1 0 393.535 3.494 20 30 GGEDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000139962249 1417483266 /nfs/dbraw/zinc/48/32/66/1417483266.db2.gz NZODLCIJWBTIMA-GOSISDBHSA-N 1 0 379.508 3.152 20 30 GGEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000141685208 1417550891 /nfs/dbraw/zinc/55/08/91/1417550891.db2.gz RMENASRFBLFUSW-LJQANCHMSA-N 1 0 389.503 3.174 20 30 GGEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000141712715 1417552645 /nfs/dbraw/zinc/55/26/45/1417552645.db2.gz BJEIYEUCQHGZHB-HNNXBMFYSA-N 1 0 386.565 3.386 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000141712906 1417552707 /nfs/dbraw/zinc/55/27/07/1417552707.db2.gz BJEIYEUCQHGZHB-OAHLLOKOSA-N 1 0 386.565 3.386 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178858744 1429199260 /nfs/dbraw/zinc/19/92/60/1429199260.db2.gz KSLUMBOFXXZULP-WIYYLYMNSA-N 1 0 398.576 3.450 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178858753 1429199355 /nfs/dbraw/zinc/19/93/55/1429199355.db2.gz KSLUMBOFXXZULP-NQIIRXRSSA-N 1 0 398.576 3.450 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178858770 1429199608 /nfs/dbraw/zinc/19/96/08/1429199608.db2.gz KSLUMBOFXXZULP-RXVVDRJESA-N 1 0 398.576 3.450 20 30 GGEDRO N#Cc1ccccc1CSCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178858760 1429199820 /nfs/dbraw/zinc/19/98/20/1429199820.db2.gz KSLUMBOFXXZULP-GHTZIAJQSA-N 1 0 398.576 3.450 20 30 GGEDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc(C)c2)cc1OCCCC#N ZINC000147189142 1417740787 /nfs/dbraw/zinc/74/07/87/1417740787.db2.gz PEJRRENFIKKTIK-LJQANCHMSA-N 1 0 384.476 3.216 20 30 GGEDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)cc1OCCCC#N ZINC000147200975 1417741796 /nfs/dbraw/zinc/74/17/96/1417741796.db2.gz LMEYFWJLRBTQKX-GOSISDBHSA-N 1 0 379.460 3.273 20 30 GGEDRO CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000178875875 1429206596 /nfs/dbraw/zinc/20/65/96/1429206596.db2.gz PTVUYSKTPHNFOS-VXKWHMMOSA-N 1 0 382.552 3.162 20 30 GGEDRO C=CCCOCC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000147587657 1417749760 /nfs/dbraw/zinc/74/97/60/1417749760.db2.gz KAMNTTXPZFQDPZ-UHFFFAOYSA-N 1 0 393.531 3.218 20 30 GGEDRO Cc1nc(SCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(C#N)c(C)c1C ZINC000150741479 1417795497 /nfs/dbraw/zinc/79/54/97/1417795497.db2.gz NVGUICAQUOVGRH-SFHVURJKSA-N 1 0 386.565 3.448 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750144 1417798220 /nfs/dbraw/zinc/79/82/20/1417798220.db2.gz HJBHKUNXOZAFQK-ZWKOTPCHSA-N 1 0 386.565 3.437 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750178 1417798229 /nfs/dbraw/zinc/79/82/29/1417798229.db2.gz JONYGUCSIZPEQA-QZTJIDSGSA-N 1 0 386.565 3.295 20 30 GGEDRO N#Cc1ccnc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1[N+](=O)[O-] ZINC000150811179 1417811673 /nfs/dbraw/zinc/81/16/73/1417811673.db2.gz DJKKEEAGWWVOEO-HNNXBMFYSA-N 1 0 387.827 3.297 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150818310 1417813416 /nfs/dbraw/zinc/81/34/16/1417813416.db2.gz WUNRAKRYTHKVJX-IBGZPJMESA-N 1 0 385.508 3.203 20 30 GGEDRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C2(C#N)CCCC2)CC1 ZINC000150876964 1417826279 /nfs/dbraw/zinc/82/62/79/1417826279.db2.gz XKNLXEFQSHSSLH-UHFFFAOYSA-N 1 0 394.441 3.157 20 30 GGEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)COc1ccccc1C#N ZINC000150904804 1417832023 /nfs/dbraw/zinc/83/20/23/1417832023.db2.gz YYTUHWJYMQGTSS-QZTJIDSGSA-N 1 0 377.488 3.210 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000150975403 1417847047 /nfs/dbraw/zinc/84/70/47/1417847047.db2.gz BCVHHYLUXNOQSR-OALUTQOASA-N 1 0 391.515 3.404 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1nc2ccccc2[nH]1 ZINC000151090208 1417870323 /nfs/dbraw/zinc/87/03/23/1417870323.db2.gz QNVBJDVFABXMQZ-UHFFFAOYSA-N 1 0 393.516 3.117 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151112401 1417874546 /nfs/dbraw/zinc/87/45/46/1417874546.db2.gz ANQKIGABKQRZEG-HXUWFJFHSA-N 1 0 391.519 3.156 20 30 GGEDRO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(OCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000151120556 1417876259 /nfs/dbraw/zinc/87/62/59/1417876259.db2.gz BVNKKHFGGUEVAC-YLJYHZDGSA-N 1 0 378.476 3.051 20 30 GGEDRO C[C@@H]1C[C@H](NC(=O)NCc2cccc(OCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000151120438 1417876332 /nfs/dbraw/zinc/87/63/32/1417876332.db2.gz BVNKKHFGGUEVAC-XLIONFOSSA-N 1 0 378.476 3.051 20 30 GGEDRO C[C@H]1C[C@@H](NC(=O)NCc2cccc(OCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000151120617 1417876340 /nfs/dbraw/zinc/87/63/40/1417876340.db2.gz BVNKKHFGGUEVAC-FXAWDEMLSA-N 1 0 378.476 3.051 20 30 GGEDRO C=CCOc1ccccc1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000151139016 1417880509 /nfs/dbraw/zinc/88/05/09/1417880509.db2.gz SIPKKKUENJTGKO-UHFFFAOYSA-N 1 0 380.444 3.413 20 30 GGEDRO Cc1nc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000151167972 1417886101 /nfs/dbraw/zinc/88/61/01/1417886101.db2.gz YFPMINZTYJKAEI-UHFFFAOYSA-N 1 0 397.548 3.092 20 30 GGEDRO CC(C)CN(C(=O)CCCC(=O)Nc1ccccc1C#N)C1CC[NH+](C)CC1 ZINC000151217066 1417895611 /nfs/dbraw/zinc/89/56/11/1417895611.db2.gz CYBGRUMBEOABMU-UHFFFAOYSA-N 1 0 384.524 3.246 20 30 GGEDRO COc1ccc(CNc2cc(C(N)=O)ccc2C[NH+](C)C)cc1OCCCC#N ZINC000151227430 1417897928 /nfs/dbraw/zinc/89/79/28/1417897928.db2.gz VOMIYUVEJSFHFH-UHFFFAOYSA-N 1 0 396.491 3.150 20 30 GGEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000151265322 1417908640 /nfs/dbraw/zinc/90/86/40/1417908640.db2.gz VNAWCAARCISDOK-UHFFFAOYSA-N 1 0 377.404 3.032 20 30 GGEDRO COc1cccc([C@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+]2CCCC2)c1 ZINC000151286728 1417915821 /nfs/dbraw/zinc/91/58/21/1417915821.db2.gz CVPCKNGIDIOTBF-IBGZPJMESA-N 1 0 385.414 3.412 20 30 GGEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000151311091 1417923345 /nfs/dbraw/zinc/92/33/45/1417923345.db2.gz DOGQVUCDSHDSRO-HNNXBMFYSA-N 1 0 388.541 3.150 20 30 GGEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCCC(=O)Nc2ccccc2C#N)o1 ZINC000151345282 1417931581 /nfs/dbraw/zinc/93/15/81/1417931581.db2.gz DBMIWNUOBKERMT-UHFFFAOYSA-N 1 0 396.491 3.159 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]/CCN(C)S(=O)(=O)c2cccs2)c(O)c1 ZINC000151348181 1417931966 /nfs/dbraw/zinc/93/19/66/1417931966.db2.gz SWQUMIFTHPOKGV-XMHGGMMESA-N 1 0 395.550 3.040 20 30 GGEDRO N#Cc1cccc(C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)c1 ZINC000151376129 1417940979 /nfs/dbraw/zinc/94/09/79/1417940979.db2.gz WDMTWGNVRBCOKQ-UHFFFAOYSA-N 1 0 385.895 3.212 20 30 GGEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000151393024 1417946897 /nfs/dbraw/zinc/94/68/97/1417946897.db2.gz LFRCBEZSBXUGCI-INIZCTEOSA-N 1 0 395.484 3.481 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1c(F)cc(C#N)cc1F ZINC000151415956 1417958007 /nfs/dbraw/zinc/95/80/07/1417958007.db2.gz CMNCOSHTBSGTLI-UHFFFAOYSA-N 1 0 379.357 3.319 20 30 GGEDRO C=CCOc1ccccc1CN(C(=O)[C@@H]([NH3+])CC)c1ccc2c(c1)OCCO2 ZINC000151469826 1417987255 /nfs/dbraw/zinc/98/72/55/1417987255.db2.gz YBNAFJCAZZJJOY-SFHVURJKSA-N 1 0 382.460 3.293 20 30 GGEDRO NC(=[NH+]OCc1ncc(-c2ccccc2)o1)c1ccc(N2CCC(O)CC2)cc1 ZINC000151521558 1418011973 /nfs/dbraw/zinc/01/19/73/1418011973.db2.gz JRDGWYICJIYNHR-UHFFFAOYSA-N 1 0 392.459 3.140 20 30 GGEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)cc1C#N ZINC000151740268 1418075744 /nfs/dbraw/zinc/07/57/44/1418075744.db2.gz VYGNVDIOWMYCBG-HKUYNNGSSA-N 1 0 385.464 3.002 20 30 GGEDRO COC(=O)C(C)(C)C[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000151802003 1418090396 /nfs/dbraw/zinc/09/03/96/1418090396.db2.gz QECJHBLXIAURHX-LBPRGKRZSA-N 1 0 377.510 3.004 20 30 GGEDRO COC(=O)C(C)(C)C[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000151802089 1418090448 /nfs/dbraw/zinc/09/04/48/1418090448.db2.gz QECJHBLXIAURHX-GFCCVEGCSA-N 1 0 377.510 3.004 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000151834834 1418097758 /nfs/dbraw/zinc/09/77/58/1418097758.db2.gz UIHBGJZEYFDANG-OAQYLSRUSA-N 1 0 386.540 3.227 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1 ZINC000151954080 1418102976 /nfs/dbraw/zinc/10/29/76/1418102976.db2.gz MPHGUJKKYHAJEN-UHFFFAOYSA-N 1 0 398.482 3.198 20 30 GGEDRO Cc1ccc2c(c1)[C@H](NC(=O)N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)CO2 ZINC000152058052 1418132945 /nfs/dbraw/zinc/13/29/45/1418132945.db2.gz YVASGDODWPWOSV-OAQYLSRUSA-N 1 0 390.487 3.218 20 30 GGEDRO C=CCc1cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc(OC)c1O ZINC000179059256 1429252236 /nfs/dbraw/zinc/25/22/36/1429252236.db2.gz ZVJGCBQVLRSZID-IBGZPJMESA-N 1 0 380.488 3.268 20 30 GGEDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000179147649 1429277791 /nfs/dbraw/zinc/27/77/91/1429277791.db2.gz HPSRLJBMVGCSHP-AWEZNQCLSA-N 1 0 389.521 3.245 20 30 GGEDRO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CCC(=O)N(C)CCC#N)OCCO3 ZINC000179189124 1429290074 /nfs/dbraw/zinc/29/00/74/1429290074.db2.gz HFSWLCOAONNNHT-KRWDZBQOSA-N 1 0 397.519 3.408 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(OCC#N)c3)c(C)c2)CC1 ZINC000179262326 1429307814 /nfs/dbraw/zinc/30/78/14/1429307814.db2.gz ZBJPFBGPLFPQIQ-UHFFFAOYSA-N 1 0 392.503 3.221 20 30 GGEDRO CCC[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@@H+]1CCOC ZINC000179281221 1429313275 /nfs/dbraw/zinc/31/32/75/1429313275.db2.gz NZZUQSYNPPZDNB-KRWDZBQOSA-N 1 0 375.517 3.079 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1OCCCC#N ZINC000179344205 1429337072 /nfs/dbraw/zinc/33/70/72/1429337072.db2.gz UEJFXIHHIQZCJH-LJQANCHMSA-N 1 0 385.508 3.116 20 30 GGEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000179377730 1429349917 /nfs/dbraw/zinc/34/99/17/1429349917.db2.gz IBFLBCDMHHVQSX-UHFFFAOYSA-N 1 0 392.544 3.004 20 30 GGEDRO N#CCOc1cccc(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000179437466 1429375860 /nfs/dbraw/zinc/37/58/60/1429375860.db2.gz VKRDJDMDQTXLFQ-UHFFFAOYSA-N 1 0 377.488 3.160 20 30 GGEDRO CC(C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(F)c1 ZINC000179575368 1429445733 /nfs/dbraw/zinc/44/57/33/1429445733.db2.gz MVFJNVLGZQLOBM-UHFFFAOYSA-N 1 0 377.423 3.346 20 30 GGEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(c4nccs4)CC3)CC2)nc1 ZINC000179594763 1429460572 /nfs/dbraw/zinc/46/05/72/1429460572.db2.gz LPGWDJRGNYKHIG-UHFFFAOYSA-N 1 0 383.521 3.358 20 30 GGEDRO COc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1OC ZINC000179620674 1429474364 /nfs/dbraw/zinc/47/43/64/1429474364.db2.gz VXMLRMSYCUKDQA-OAHLLOKOSA-N 1 0 388.489 3.008 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000179624792 1429476061 /nfs/dbraw/zinc/47/60/61/1429476061.db2.gz GTAOXZGKCDXBKW-OAQYLSRUSA-N 1 0 397.906 3.370 20 30 GGEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000179625685 1429476855 /nfs/dbraw/zinc/47/68/55/1429476855.db2.gz HNRKGHRYZHWVDC-JXFKEZNVSA-N 1 0 389.883 3.184 20 30 GGEDRO CCC[C@@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000179638385 1429483896 /nfs/dbraw/zinc/48/38/96/1429483896.db2.gz YBOYQCZVBNDPOJ-LJQANCHMSA-N 1 0 380.496 3.315 20 30 GGEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179650178 1429489235 /nfs/dbraw/zinc/48/92/35/1429489235.db2.gz DTJMNBMDRWWPNF-HNNXBMFYSA-N 1 0 379.460 3.075 20 30 GGEDRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000179671245 1429500163 /nfs/dbraw/zinc/50/01/63/1429500163.db2.gz IGMVGKWGLUHBNN-ICSRJNTNSA-N 1 0 396.560 3.425 20 30 GGEDRO CCc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cc1 ZINC000179665268 1429497720 /nfs/dbraw/zinc/49/77/20/1429497720.db2.gz YUMONCZUMILGAU-XLIONFOSSA-N 1 0 396.560 3.370 20 30 GGEDRO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000179665429 1429497962 /nfs/dbraw/zinc/49/79/62/1429497962.db2.gz ZXARXRLFCJZURI-MJGOQNOKSA-N 1 0 382.533 3.116 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000179702991 1429514665 /nfs/dbraw/zinc/51/46/65/1429514665.db2.gz JVBOTLDTTNXKRD-HXUWFJFHSA-N 1 0 385.895 3.226 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN(C)C[C@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000152354365 1422081798 /nfs/dbraw/zinc/08/17/98/1422081798.db2.gz KIFKOZBKKIVJIW-KRWDZBQOSA-N 1 0 376.932 3.169 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000179731418 1429527100 /nfs/dbraw/zinc/52/71/00/1429527100.db2.gz SUSPCJMKRVNMGI-JOCHJYFZSA-N 1 0 377.444 3.399 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 ZINC000152495948 1422120707 /nfs/dbraw/zinc/12/07/07/1422120707.db2.gz VSWYSGVYSXBWQB-UHFFFAOYSA-N 1 0 380.492 3.059 20 30 GGEDRO CCOc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000179740183 1429531985 /nfs/dbraw/zinc/53/19/85/1429531985.db2.gz GQULSFOWMZGTFK-UHFFFAOYSA-N 1 0 393.487 3.414 20 30 GGEDRO CCOC(=O)N1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000179746236 1429534834 /nfs/dbraw/zinc/53/48/34/1429534834.db2.gz XJMIVLFREPAUTQ-UHFFFAOYSA-N 1 0 381.480 3.128 20 30 GGEDRO Cc1oc(NC(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(C#N)c1C ZINC000179750263 1429537674 /nfs/dbraw/zinc/53/76/74/1429537674.db2.gz OKHJLXBPSUGMHW-HXUWFJFHSA-N 1 0 381.432 3.219 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179745305 1429534047 /nfs/dbraw/zinc/53/40/47/1429534047.db2.gz HMPOEXHBSLYWSW-IBGZPJMESA-N 1 0 383.473 3.460 20 30 GGEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 ZINC000152729053 1422227546 /nfs/dbraw/zinc/22/75/46/1422227546.db2.gz RTYMADCSTJXNPY-UHFFFAOYSA-N 1 0 394.475 3.245 20 30 GGEDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000152742046 1422232757 /nfs/dbraw/zinc/23/27/57/1422232757.db2.gz KBXJKUHKLNANBX-GOSISDBHSA-N 1 0 385.533 3.297 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 ZINC000152744813 1422234541 /nfs/dbraw/zinc/23/45/41/1422234541.db2.gz IJLGOFRWYBUPTO-GOSISDBHSA-N 1 0 389.565 3.418 20 30 GGEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1C[C@@H]3CCC[C@@H]3C1)CCCC2 ZINC000152773688 1422243598 /nfs/dbraw/zinc/24/35/98/1422243598.db2.gz IAYDYKDASHXLSH-KSZLIROESA-N 1 0 396.535 3.088 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000152780980 1422246312 /nfs/dbraw/zinc/24/63/12/1422246312.db2.gz LPKOBILJTVJHHO-MRXNPFEDSA-N 1 0 393.528 3.363 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000152785434 1422247967 /nfs/dbraw/zinc/24/79/67/1422247967.db2.gz PQPAFLCFCGBZPG-QGZVFWFLSA-N 1 0 375.538 3.223 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccc(C#N)cc1 ZINC000179756916 1429542521 /nfs/dbraw/zinc/54/25/21/1429542521.db2.gz KTYUVGDKVYCHGG-NRFANRHFSA-N 1 0 377.488 3.319 20 30 GGEDRO C=CCOc1cccc(NC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000152835020 1422265527 /nfs/dbraw/zinc/26/55/27/1422265527.db2.gz BHVOMPKNSPTVHQ-KDURUIRLSA-N 1 0 386.540 3.274 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179753646 1429539883 /nfs/dbraw/zinc/53/98/83/1429539883.db2.gz LCYOASMHLGCDBA-QFIPXVFZSA-N 1 0 380.444 3.458 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000152978539 1422314769 /nfs/dbraw/zinc/31/47/69/1422314769.db2.gz NDCXJXXQJOMTAL-SCLBCKFNSA-N 1 0 388.851 3.225 20 30 GGEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000153052417 1422340467 /nfs/dbraw/zinc/34/04/67/1422340467.db2.gz SRPKBSSRODOATP-IBGZPJMESA-N 1 0 375.394 3.433 20 30 GGEDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000153073726 1422347267 /nfs/dbraw/zinc/34/72/67/1422347267.db2.gz AMYPWVKQZSEMMB-SFHVURJKSA-N 1 0 387.524 3.121 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000153080390 1422350553 /nfs/dbraw/zinc/35/05/53/1422350553.db2.gz MDSYUUTUZOUNTI-DNVCBOLYSA-N 1 0 380.492 3.140 20 30 GGEDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000153086106 1422351575 /nfs/dbraw/zinc/35/15/75/1422351575.db2.gz JVJOXTCWDHKVIQ-HXUWFJFHSA-N 1 0 387.867 3.046 20 30 GGEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@@H](C[NH+](C)C)C2)c1=S ZINC000153148340 1422372546 /nfs/dbraw/zinc/37/25/46/1422372546.db2.gz CGJYAOXXLRZXRH-HNNXBMFYSA-N 1 0 375.517 3.247 20 30 GGEDRO [NH2+]=C(NCc1nc(C2CC2)cs1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000153219167 1422398454 /nfs/dbraw/zinc/39/84/54/1422398454.db2.gz QEHGJVALJZTZJD-UHFFFAOYSA-N 1 0 375.929 3.311 20 30 GGEDRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153254746 1422421750 /nfs/dbraw/zinc/42/17/50/1422421750.db2.gz LEABTAPJDBXPKG-JTQLQIEISA-N 1 0 395.294 3.062 20 30 GGEDRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153254814 1422422407 /nfs/dbraw/zinc/42/24/07/1422422407.db2.gz LEABTAPJDBXPKG-SNVBAGLBSA-N 1 0 395.294 3.062 20 30 GGEDRO N#Cc1ccc(OC2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000153305866 1422457129 /nfs/dbraw/zinc/45/71/29/1422457129.db2.gz RMAPWJAFUZLMFI-UHFFFAOYSA-N 1 0 382.508 3.128 20 30 GGEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](CCC#N)c3ccccc3)c2)CC1 ZINC000153328071 1422472812 /nfs/dbraw/zinc/47/28/12/1422472812.db2.gz IJNVRYOFBBHHLS-JOCHJYFZSA-N 1 0 376.504 3.209 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OCC#N ZINC000153376655 1422504889 /nfs/dbraw/zinc/50/48/89/1422504889.db2.gz WLBLKFXDYHCVMZ-KCKZCELBSA-N 1 0 395.503 3.086 20 30 GGEDRO CC(=O)OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000153455260 1422546556 /nfs/dbraw/zinc/54/65/56/1422546556.db2.gz SNNIBUSZLXOQTK-ZDUSSCGKSA-N 1 0 389.521 3.101 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cc(CSCCO)ccn3)CC2)cc1 ZINC000179799725 1429573376 /nfs/dbraw/zinc/57/33/76/1429573376.db2.gz BBNNGCNTVQVRLF-UHFFFAOYSA-N 1 0 382.533 3.255 20 30 GGEDRO C=CCn1c(Cc2ccccc2)nn(CN2CC[N@@H+](C)C[C@H]2C(C)C)c1=S ZINC000153627091 1422656942 /nfs/dbraw/zinc/65/69/42/1422656942.db2.gz KKNCQBALAKGNEQ-IBGZPJMESA-N 1 0 385.581 3.420 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)CC1 ZINC000153667476 1422692304 /nfs/dbraw/zinc/69/23/04/1422692304.db2.gz NBIMVQUNRPRTEB-UHFFFAOYSA-N 1 0 384.307 3.007 20 30 GGEDRO C=C[C@@H](CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000153698683 1422709319 /nfs/dbraw/zinc/70/93/19/1422709319.db2.gz LICDWHWDWWAJNH-QFIPXVFZSA-N 1 0 377.532 3.410 20 30 GGEDRO C[NH+]=C(NCc1cc(Cl)ccc1OC(F)F)N[C@@H]1CCCn2nc(C)nc21 ZINC000153709218 1422714842 /nfs/dbraw/zinc/71/48/42/1422714842.db2.gz ZAFZMGDKCCBKOG-CYBMUJFWSA-N 1 0 398.845 3.041 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N1CCS[C@@H](C(C)C)C1 ZINC000153779540 1422753200 /nfs/dbraw/zinc/75/32/00/1422753200.db2.gz JRINJHPOUMRGLK-GOSISDBHSA-N 1 0 386.569 3.033 20 30 GGEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153916922 1422810416 /nfs/dbraw/zinc/81/04/16/1422810416.db2.gz SNBNVDDWBUUILR-CBQOVEMMSA-N 1 0 381.520 3.437 20 30 GGEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1OCCCC#N ZINC000153939716 1422814376 /nfs/dbraw/zinc/81/43/76/1422814376.db2.gz ROJSWVMNCIGZKF-KRWDZBQOSA-N 1 0 384.455 3.280 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000153988543 1422821492 /nfs/dbraw/zinc/82/14/92/1422821492.db2.gz DOTVAGXKOOUASF-UHFFFAOYSA-N 1 0 399.466 3.097 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000154005892 1422824247 /nfs/dbraw/zinc/82/42/47/1422824247.db2.gz JVUMVLGXEVDNSZ-GHTZIAJQSA-N 1 0 377.488 3.301 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000154186795 1422852152 /nfs/dbraw/zinc/85/21/52/1422852152.db2.gz YJZIICOVJHLUNL-UHFFFAOYSA-N 1 0 389.500 3.045 20 30 GGEDRO COc1ccc(CNC(=O)C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cc1 ZINC000154217480 1422856923 /nfs/dbraw/zinc/85/69/23/1422856923.db2.gz LQFGMYXBCRIDTC-UHFFFAOYSA-N 1 0 380.463 3.214 20 30 GGEDRO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccccc1 ZINC000154306686 1422870248 /nfs/dbraw/zinc/87/02/48/1422870248.db2.gz CQWLEDNVSAXDFE-YMPZKCBVSA-N 1 0 378.516 3.346 20 30 GGEDRO COc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1C#N ZINC000154356204 1422877622 /nfs/dbraw/zinc/87/76/22/1422877622.db2.gz FIUMZBAMWFHVTE-LEWJYISDSA-N 1 0 385.895 3.382 20 30 GGEDRO c1coc(CC[NH+]=C(N[C@@H]2CCOc3ccccc32)N2CC[C@@]3(CCOC3)C2)c1 ZINC000154481977 1422894817 /nfs/dbraw/zinc/89/48/17/1422894817.db2.gz RABIBYPUFKFOPK-NFBKMPQASA-N 1 0 395.503 3.404 20 30 GGEDRO CCOc1ccc(C(=O)C(C(=S)N[C@@H](C)CC)[n+]2cccc(CO)c2)cc1 ZINC000154493321 1422896519 /nfs/dbraw/zinc/89/65/19/1422896519.db2.gz QAQMUUYGWTWBPB-HNNXBMFYSA-O 1 0 387.525 3.192 20 30 GGEDRO CC[C@H](C)NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(CO)c1 ZINC000154507034 1422898235 /nfs/dbraw/zinc/89/82/35/1422898235.db2.gz NGOASMZEHNXKKP-LBPRGKRZSA-O 1 0 379.452 3.072 20 30 GGEDRO CC[C@@H](C)NC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(C)cc1 ZINC000154530744 1422906250 /nfs/dbraw/zinc/90/62/50/1422906250.db2.gz IAYWNGHABAIPEP-OAHLLOKOSA-O 1 0 385.509 3.381 20 30 GGEDRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000154553163 1422924268 /nfs/dbraw/zinc/92/42/68/1422924268.db2.gz GSQPORQYKMWETA-UHFFFAOYSA-N 1 0 384.524 3.007 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000154576661 1422940930 /nfs/dbraw/zinc/94/09/30/1422940930.db2.gz ROVRWRPEXMQKAK-UHFFFAOYSA-N 1 0 387.524 3.160 20 30 GGEDRO c1coc(CCNC(N[C@@H]2CCO[C@@]3(CCSC3)C2)=[NH+]C2CCCC2)c1 ZINC000154617670 1422965582 /nfs/dbraw/zinc/96/55/82/1422965582.db2.gz REHITIPBESPARD-XLIONFOSSA-N 1 0 377.554 3.355 20 30 GGEDRO C[NH+](C)Cc1ccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC000154647865 1422982332 /nfs/dbraw/zinc/98/23/32/1422982332.db2.gz OYKAKKFZLFNTSF-UHFFFAOYSA-N 1 0 378.476 3.045 20 30 GGEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(N4CCNC4=O)cc3)CC2)cc1 ZINC000154736893 1423016680 /nfs/dbraw/zinc/01/66/80/1423016680.db2.gz LEZZMBGLJWFWBW-UHFFFAOYSA-N 1 0 375.476 3.164 20 30 GGEDRO C[C@@H]([NH2+]C1(CNC(=O)c2c(F)cc(C#N)cc2F)CCOCC1)c1ccccc1 ZINC000154792996 1423034744 /nfs/dbraw/zinc/03/47/44/1423034744.db2.gz SHMVMRRZWCHNSR-OAHLLOKOSA-N 1 0 399.441 3.466 20 30 GGEDRO N#CCCn1cc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(-c2ccccc2)n1 ZINC000154820674 1423044912 /nfs/dbraw/zinc/04/49/12/1423044912.db2.gz JNVYUOCYISLTNI-FQEVSTJZSA-N 1 0 391.519 3.202 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](C)C2CCOCC2)c1C#N ZINC000179862867 1429614684 /nfs/dbraw/zinc/61/46/84/1429614684.db2.gz KDOQKIYYQQILOI-QGZVFWFLSA-N 1 0 394.519 3.368 20 30 GGEDRO N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1Cl ZINC000155084098 1423152980 /nfs/dbraw/zinc/15/29/80/1423152980.db2.gz XLCSLFDAQJZQJG-UHFFFAOYSA-N 1 0 396.878 3.161 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cc(F)cc(F)c1 ZINC000155155094 1423200925 /nfs/dbraw/zinc/20/09/25/1423200925.db2.gz JVOFZXHZJNHGOC-UHFFFAOYSA-N 1 0 386.446 3.152 20 30 GGEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000155208689 1423246276 /nfs/dbraw/zinc/24/62/76/1423246276.db2.gz UJPTUWREXUNYPP-WEBJUUICSA-N 1 0 390.487 3.339 20 30 GGEDRO CN(C)c1cccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000155283558 1423299345 /nfs/dbraw/zinc/29/93/45/1423299345.db2.gz WJCIFSGLIWALED-UHFFFAOYSA-N 1 0 391.519 3.042 20 30 GGEDRO CN(Cc1cc(C#N)ccc1F)Cc1ccccc1OCC(=O)NCC1CC1 ZINC000155410656 1423353067 /nfs/dbraw/zinc/35/30/67/1423353067.db2.gz RCRNXCVPQDVFQF-UHFFFAOYSA-N 1 0 381.451 3.234 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000155463641 1423375228 /nfs/dbraw/zinc/37/52/28/1423375228.db2.gz MNKYIMLDFZEAHO-HNNXBMFYSA-N 1 0 392.372 3.445 20 30 GGEDRO Cc1cccc(C(=O)N2CCC[N@H+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000155533840 1423404708 /nfs/dbraw/zinc/40/47/08/1423404708.db2.gz UOMGZXLODSEQQJ-UHFFFAOYSA-N 1 0 377.488 3.484 20 30 GGEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000155597411 1423436820 /nfs/dbraw/zinc/43/68/20/1423436820.db2.gz BPBUZRIJGAAACF-INIZCTEOSA-N 1 0 380.517 3.387 20 30 GGEDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H](CO)C(C)C)cc1 ZINC000179925761 1429644655 /nfs/dbraw/zinc/64/46/55/1429644655.db2.gz YWPSEGFUGDCDLB-OAQYLSRUSA-N 1 0 381.476 3.024 20 30 GGEDRO COc1ccc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](CO)C(C)C)cc1 ZINC000179926630 1429645723 /nfs/dbraw/zinc/64/57/23/1429645723.db2.gz HPIUNLMFZSOSSO-HXUWFJFHSA-N 1 0 399.491 3.234 20 30 GGEDRO Cn1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179934618 1429650451 /nfs/dbraw/zinc/65/04/51/1429650451.db2.gz YSPZERZCZBJQNB-UHFFFAOYSA-N 1 0 395.507 3.448 20 30 GGEDRO COCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000179939406 1429652761 /nfs/dbraw/zinc/65/27/61/1429652761.db2.gz JEJKPLMANKGAPZ-UHFFFAOYSA-N 1 0 385.471 3.479 20 30 GGEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000155892952 1423580535 /nfs/dbraw/zinc/58/05/35/1423580535.db2.gz CDKLZYFKLYOZFE-OAHLLOKOSA-N 1 0 378.423 3.499 20 30 GGEDRO COCC[N@H+](C)CCCNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000155957423 1423609458 /nfs/dbraw/zinc/60/94/58/1423609458.db2.gz YBNGSRGEVQBWNI-UHFFFAOYSA-N 1 0 381.476 3.357 20 30 GGEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000155964378 1423612407 /nfs/dbraw/zinc/61/24/07/1423612407.db2.gz SLJKSYVFWWPTLJ-FGZHOGPDSA-N 1 0 398.551 3.246 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CC2CCOCC2)c1C#N ZINC000156072035 1423660490 /nfs/dbraw/zinc/66/04/90/1423660490.db2.gz PRNFFKWYHRKSDN-UHFFFAOYSA-N 1 0 398.507 3.305 20 30 GGEDRO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156083351 1423664885 /nfs/dbraw/zinc/66/48/85/1423664885.db2.gz JNCNNAMRCJIUFQ-MOPGFXCFSA-N 1 0 377.554 3.214 20 30 GGEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000156106465 1423675525 /nfs/dbraw/zinc/67/55/25/1423675525.db2.gz QSCIFTNGYJMJOI-FQEVSTJZSA-N 1 0 387.867 3.046 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000156167775 1423703795 /nfs/dbraw/zinc/70/37/95/1423703795.db2.gz ZEXMAMMMCSDXDG-UHFFFAOYSA-N 1 0 375.476 3.191 20 30 GGEDRO C[C@H](CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@H+](C)Cc1ccccc1 ZINC000156169495 1423704347 /nfs/dbraw/zinc/70/43/47/1423704347.db2.gz SIJPPUOGDNBSAL-OAHLLOKOSA-N 1 0 398.894 3.177 20 30 GGEDRO C=CCN(CCc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000156186509 1423713310 /nfs/dbraw/zinc/71/33/10/1423713310.db2.gz PWJSHYCATHNJRT-YADHBBJMSA-N 1 0 385.552 3.195 20 30 GGEDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000156229902 1423736620 /nfs/dbraw/zinc/73/66/20/1423736620.db2.gz FXHMADSXSOVKIA-UHFFFAOYSA-N 1 0 397.422 3.117 20 30 GGEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000179969941 1429667680 /nfs/dbraw/zinc/66/76/80/1429667680.db2.gz SMXAQWXAHKRGLK-VFNWGFHPSA-N 1 0 376.460 3.363 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000179973755 1429670178 /nfs/dbraw/zinc/67/01/78/1429670178.db2.gz FZDFCLSVONXQNO-VFNWGFHPSA-N 1 0 388.471 3.289 20 30 GGEDRO C=CCC[C@@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000156499507 1423818944 /nfs/dbraw/zinc/81/89/44/1423818944.db2.gz MOJVNNPEHSJSSU-OAQYLSRUSA-N 1 0 393.535 3.340 20 30 GGEDRO N#Cc1cccc(OCCC[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000156546371 1423826501 /nfs/dbraw/zinc/82/65/01/1423826501.db2.gz OVHUPUYZPUWQRN-UHFFFAOYSA-N 1 0 377.444 3.342 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000156560570 1423828757 /nfs/dbraw/zinc/82/87/57/1423828757.db2.gz XXPDNZYSDSBXDO-PZJWPPBQSA-N 1 0 379.508 3.330 20 30 GGEDRO N#Cc1cccc(NCC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000156597461 1423833927 /nfs/dbraw/zinc/83/39/27/1423833927.db2.gz GTMXGHJNMMIJBH-UHFFFAOYSA-N 1 0 376.504 3.137 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2N(C)C2CCCC2)CC1 ZINC000156638043 1423839138 /nfs/dbraw/zinc/83/91/38/1423839138.db2.gz FRNZLUUYYVDFPJ-UHFFFAOYSA-N 1 0 398.551 3.161 20 30 GGEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000156640592 1423839344 /nfs/dbraw/zinc/83/93/44/1423839344.db2.gz XYKIAEODMLHLNX-HXUWFJFHSA-N 1 0 377.488 3.469 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(F)c1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000156855078 1423875818 /nfs/dbraw/zinc/87/58/18/1423875818.db2.gz UNTWNQRPKBLMBD-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156929531 1423887762 /nfs/dbraw/zinc/88/77/62/1423887762.db2.gz PFOQXDQHYKZZOG-OIBXWCBGSA-N 1 0 393.531 3.283 20 30 GGEDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156966478 1423894627 /nfs/dbraw/zinc/89/46/27/1423894627.db2.gz WBGXHTFIFWXUNB-PGRDOPGGSA-N 1 0 376.504 3.482 20 30 GGEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000156997171 1423899695 /nfs/dbraw/zinc/89/96/95/1423899695.db2.gz HGYBOMXUSNPIEF-IRXDYDNUSA-N 1 0 377.916 3.439 20 30 GGEDRO C[C@@H]1C[C@H](N(C)CC(=O)NC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157002723 1423900275 /nfs/dbraw/zinc/90/02/75/1423900275.db2.gz YWGVMSJVCWWXEC-TZIWHRDSSA-N 1 0 382.552 3.314 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000157154840 1423938960 /nfs/dbraw/zinc/93/89/60/1423938960.db2.gz WSZAFGHDWRYLFC-UHFFFAOYSA-N 1 0 393.487 3.500 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000157180275 1423946574 /nfs/dbraw/zinc/94/65/74/1423946574.db2.gz RESZTSJXNRMFSV-UHFFFAOYSA-N 1 0 393.413 3.199 20 30 GGEDRO C=CCC[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000157322419 1423984582 /nfs/dbraw/zinc/98/45/82/1423984582.db2.gz YPQDYFJUBPSPPR-NRFANRHFSA-N 1 0 393.535 3.340 20 30 GGEDRO C=CCC[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000157322570 1423984612 /nfs/dbraw/zinc/98/46/12/1423984612.db2.gz YPQDYFJUBPSPPR-OAQYLSRUSA-N 1 0 393.535 3.340 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157347849 1423991248 /nfs/dbraw/zinc/99/12/48/1423991248.db2.gz IXHHAWSQDMFFLC-CVEARBPZSA-N 1 0 386.565 3.386 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c(OC)c1 ZINC000157442386 1424012123 /nfs/dbraw/zinc/01/21/23/1424012123.db2.gz UNIKAZGDZODNIR-SFTDATJTSA-N 1 0 388.552 3.114 20 30 GGEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000157646584 1424056861 /nfs/dbraw/zinc/05/68/61/1424056861.db2.gz ZNGGKLMLJDHFIR-HNNXBMFYSA-N 1 0 387.480 3.201 20 30 GGEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000157646756 1424056930 /nfs/dbraw/zinc/05/69/30/1424056930.db2.gz ZNGGKLMLJDHFIR-OAHLLOKOSA-N 1 0 387.480 3.201 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCC(=O)Nc3ccc(C#N)cc3)ccc2NC1=O ZINC000180017319 1429694642 /nfs/dbraw/zinc/69/46/42/1429694642.db2.gz CGVIDCCFYLAHFH-KUHUBIRLSA-N 1 0 392.459 3.347 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000157687279 1424064880 /nfs/dbraw/zinc/06/48/80/1424064880.db2.gz OVHZGLYEGWJOOX-UHFFFAOYSA-N 1 0 399.516 3.210 20 30 GGEDRO Cn1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180028479 1429702763 /nfs/dbraw/zinc/70/27/63/1429702763.db2.gz MEQWOUBQXVMGMI-HXUWFJFHSA-N 1 0 375.476 3.478 20 30 GGEDRO CC[C@@H](CC#N)NC(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000157790940 1424088664 /nfs/dbraw/zinc/08/86/64/1424088664.db2.gz CQLKQBDZEXKUQX-AWEZNQCLSA-N 1 0 393.919 3.225 20 30 GGEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000157836058 1424099271 /nfs/dbraw/zinc/09/92/71/1424099271.db2.gz PERWJDLTNAGNJS-PXNSSMCTSA-N 1 0 383.517 3.232 20 30 GGEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000157895819 1424115467 /nfs/dbraw/zinc/11/54/67/1424115467.db2.gz XGQZRFOUYSNTHV-UHFFFAOYSA-N 1 0 384.402 3.495 20 30 GGEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCC(=O)Nc3cccc(C#N)c3)ccc2NC1=O ZINC000180028974 1429702619 /nfs/dbraw/zinc/70/26/19/1429702619.db2.gz AFPISFDNYCBIPR-IFXJQAMLSA-N 1 0 392.459 3.347 20 30 GGEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 ZINC000180038652 1429707583 /nfs/dbraw/zinc/70/75/83/1429707583.db2.gz VMKAZEDFABXNQG-LJQANCHMSA-N 1 0 377.444 3.148 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000180038619 1429707634 /nfs/dbraw/zinc/70/76/34/1429707634.db2.gz NSDUMJPAUXJRMQ-MRXNPFEDSA-N 1 0 382.464 3.240 20 30 GGEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 ZINC000180038635 1429707711 /nfs/dbraw/zinc/70/77/11/1429707711.db2.gz VMKAZEDFABXNQG-IBGZPJMESA-N 1 0 377.444 3.148 20 30 GGEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000158092247 1424165839 /nfs/dbraw/zinc/16/58/39/1424165839.db2.gz CALLDVGBYJNTHG-UHFFFAOYSA-N 1 0 375.432 3.391 20 30 GGEDRO CN(Cc1cccc(C#N)c1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000158317213 1424224636 /nfs/dbraw/zinc/22/46/36/1424224636.db2.gz IEZCBPXENJDSOX-UHFFFAOYSA-N 1 0 377.488 3.035 20 30 GGEDRO C=CCC[C@H]([NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000180044355 1429710560 /nfs/dbraw/zinc/71/05/60/1429710560.db2.gz OTZMDILODUKILZ-IBGZPJMESA-N 1 0 387.430 3.317 20 30 GGEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000180043658 1429710702 /nfs/dbraw/zinc/71/07/02/1429710702.db2.gz HLLFULHRAPHOQE-GOSISDBHSA-N 1 0 385.515 3.495 20 30 GGEDRO COc1cccc([C@H](CNC(=O)Nc2ccccc2O[C@H](C)C#N)[NH+](C)C)c1 ZINC000180045628 1429711486 /nfs/dbraw/zinc/71/14/86/1429711486.db2.gz JQUUMUFFXKPRNY-BEFAXECRSA-N 1 0 382.464 3.410 20 30 GGEDRO CCC(CC)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCOCC1 ZINC000180047638 1429712114 /nfs/dbraw/zinc/71/21/14/1429712114.db2.gz XGUNNZYABDYKRZ-QFIPXVFZSA-N 1 0 395.551 3.185 20 30 GGEDRO N#CCCn1cc(C[NH+]2CCN(c3ccccc3O)CC2)c(-c2ccccc2)n1 ZINC000158523894 1424279273 /nfs/dbraw/zinc/27/92/73/1424279273.db2.gz MVVJZEPXAPTJKC-UHFFFAOYSA-N 1 0 387.487 3.492 20 30 GGEDRO CC[NH+]=C(NCCc1sc(C)nc1C)N1CCN(c2cccs2)CC1 ZINC000158905696 1424368780 /nfs/dbraw/zinc/36/87/80/1424368780.db2.gz ZJXYWKZVFXRNBG-UHFFFAOYSA-N 1 0 377.583 3.152 20 30 GGEDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180064479 1429721382 /nfs/dbraw/zinc/72/13/82/1429721382.db2.gz ZXBAJGVBUBMPMI-UHFFFAOYSA-N 1 0 393.535 3.476 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)CCSc2ccc3c(c2)OCCO3)CC1 ZINC000159232308 1424452315 /nfs/dbraw/zinc/45/23/15/1424452315.db2.gz GFXYGHXGNMGMNL-UHFFFAOYSA-N 1 0 376.522 3.097 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000180080157 1429728229 /nfs/dbraw/zinc/72/82/29/1429728229.db2.gz YUUFGBZKWWPQIB-KRWDZBQOSA-N 1 0 391.475 3.445 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000159497454 1424508415 /nfs/dbraw/zinc/50/84/15/1424508415.db2.gz ZZIZZNOKFKVEIB-FPOVZHCZSA-N 1 0 394.519 3.056 20 30 GGEDRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)ccc1OCC(C)C ZINC000180089134 1429732243 /nfs/dbraw/zinc/73/22/43/1429732243.db2.gz VREMLFOAMYGFDI-KKSFZXQISA-N 1 0 375.513 3.435 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCC[C@@H]1O ZINC000159847186 1424543832 /nfs/dbraw/zinc/54/38/32/1424543832.db2.gz LZFXDNMXSHVKFJ-YOEHRIQHSA-N 1 0 375.538 3.310 20 30 GGEDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000159873285 1424546928 /nfs/dbraw/zinc/54/69/28/1424546928.db2.gz XVPAEIHIXPYIFV-JKSUJKDBSA-N 1 0 389.459 3.024 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000159944244 1424554835 /nfs/dbraw/zinc/55/48/35/1424554835.db2.gz OZQDQUCRLXSXLD-UTKZUKDTSA-N 1 0 392.503 3.387 20 30 GGEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000159999775 1424561919 /nfs/dbraw/zinc/56/19/19/1424561919.db2.gz SNGHMFRSONTZBG-PXNSSMCTSA-N 1 0 383.517 3.232 20 30 GGEDRO C[NH+]=C(NCCc1nc(C(C)(C)C)cs1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000160065092 1424569134 /nfs/dbraw/zinc/56/91/34/1424569134.db2.gz ZXLYPYKEXXXLBZ-JKSUJKDBSA-N 1 0 388.585 3.338 20 30 GGEDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000160076807 1424570511 /nfs/dbraw/zinc/57/05/11/1424570511.db2.gz APHXUTIWZSQAFH-GOSISDBHSA-N 1 0 391.519 3.058 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160115092 1424575560 /nfs/dbraw/zinc/57/55/60/1424575560.db2.gz QHWSTEYVRDLFFF-UHFFFAOYSA-N 1 0 387.362 3.313 20 30 GGEDRO N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000160135568 1424577677 /nfs/dbraw/zinc/57/76/77/1424577677.db2.gz ZONZDOYIGXWJCR-KRWDZBQOSA-N 1 0 393.509 3.015 20 30 GGEDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160175640 1424583775 /nfs/dbraw/zinc/58/37/75/1424583775.db2.gz OMQCBROKBLCGSY-HKUYNNGSSA-N 1 0 386.515 3.437 20 30 GGEDRO CC(C)CCn1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000160224425 1424589053 /nfs/dbraw/zinc/58/90/53/1424589053.db2.gz JAMLISMIHRMNBF-UHFFFAOYSA-N 1 0 382.512 3.397 20 30 GGEDRO C[C@H]1CN(C(C)(C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000160630292 1424620823 /nfs/dbraw/zinc/62/08/23/1424620823.db2.gz CPRFWZTZCKQBOB-STQMWFEESA-N 1 0 388.434 3.200 20 30 GGEDRO C[NH+]=C(NCc1ccccc1-n1nc(C)cc1C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000160631874 1424621510 /nfs/dbraw/zinc/62/15/10/1424621510.db2.gz JNDVOJNLSFTDGQ-TYPHKJRUSA-N 1 0 393.535 3.112 20 30 GGEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160664947 1424624479 /nfs/dbraw/zinc/62/44/79/1424624479.db2.gz FCBZPXJQFIXQSQ-ONTIZHBOSA-N 1 0 397.567 3.231 20 30 GGEDRO [NH2+]=C(NCc1ccccc1N1CCOCC1)Nc1ccccc1OC(F)(F)F ZINC000160667737 1424624562 /nfs/dbraw/zinc/62/45/62/1424624562.db2.gz SFSJRKBZOIKDES-UHFFFAOYSA-N 1 0 394.397 3.349 20 30 GGEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160664846 1424624662 /nfs/dbraw/zinc/62/46/62/1424624662.db2.gz FCBZPXJQFIXQSQ-VWPQPMDRSA-N 1 0 397.567 3.231 20 30 GGEDRO [NH2+]=C(NCCN1CCc2sccc2C1)Nc1ccccc1OC(F)(F)F ZINC000160690582 1424627160 /nfs/dbraw/zinc/62/71/60/1424627160.db2.gz YYPXMTRKJPWIRP-UHFFFAOYSA-N 1 0 384.427 3.432 20 30 GGEDRO [NH2+]=C(NCCCc1nnc2n1CCCCC2)Nc1ccccc1OC(F)(F)F ZINC000160706946 1424627837 /nfs/dbraw/zinc/62/78/37/1424627837.db2.gz FMMQFGAUMXYIDU-UHFFFAOYSA-N 1 0 396.417 3.263 20 30 GGEDRO [NH2+]=C(NCCCNC(=O)c1cccs1)Nc1ccccc1OC(F)(F)F ZINC000160707398 1424629080 /nfs/dbraw/zinc/62/90/80/1424629080.db2.gz RCLJSLWZYLMZSN-UHFFFAOYSA-N 1 0 386.399 3.193 20 30 GGEDRO C[C@@](O)(CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1F ZINC000160747620 1424631793 /nfs/dbraw/zinc/63/17/93/1424631793.db2.gz HIUFTDDHQIIXAK-MRXNPFEDSA-N 1 0 389.324 3.498 20 30 GGEDRO [NH2+]=C(NCc1cn(-c2ccccc2)nn1)Nc1ccccc1OC(F)(F)F ZINC000160752117 1424632409 /nfs/dbraw/zinc/63/24/09/1424632409.db2.gz VZSLGUHAZITODG-UHFFFAOYSA-N 1 0 376.342 3.093 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C(C)C ZINC000160834120 1424637824 /nfs/dbraw/zinc/63/78/24/1424637824.db2.gz SFFKLQOFIWMARN-LJQANCHMSA-N 1 0 382.512 3.302 20 30 GGEDRO COC(=O)c1csc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000160839936 1424637913 /nfs/dbraw/zinc/63/79/13/1424637913.db2.gz MBSPCTCRVNWCOP-UHFFFAOYSA-N 1 0 386.477 3.002 20 30 GGEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000160913433 1424644413 /nfs/dbraw/zinc/64/44/13/1424644413.db2.gz ALVJCZXMHGRRSV-QZTJIDSGSA-N 1 0 399.535 3.063 20 30 GGEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000160940964 1424646367 /nfs/dbraw/zinc/64/63/67/1424646367.db2.gz SRFJGDKYZAPABZ-GOSISDBHSA-N 1 0 390.491 3.235 20 30 GGEDRO CC[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000161116056 1424659807 /nfs/dbraw/zinc/65/98/07/1424659807.db2.gz JYQHYMHOPUZNRQ-OAHLLOKOSA-N 1 0 387.503 3.322 20 30 GGEDRO C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000161341199 1424680075 /nfs/dbraw/zinc/68/00/75/1424680075.db2.gz SQBMHMYUSPEDIE-SFHVURJKSA-N 1 0 393.462 3.039 20 30 GGEDRO C[C@H]1C[C@@H](N(C)C(=O)CNc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000161486757 1424694381 /nfs/dbraw/zinc/69/43/81/1424694381.db2.gz ZJGNDNBDMJJGPO-AVRDEDQJSA-N 1 0 376.504 3.482 20 30 GGEDRO C#CCOc1cccc(NC(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)c1 ZINC000161533693 1424702645 /nfs/dbraw/zinc/70/26/45/1424702645.db2.gz XMOPZSSVCIMBFJ-UHFFFAOYSA-N 1 0 387.524 3.301 20 30 GGEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CNc1cccc(C#N)c1 ZINC000161565799 1424713133 /nfs/dbraw/zinc/71/31/33/1424713133.db2.gz IWQPNSJJMDEKOS-NRFANRHFSA-N 1 0 392.503 3.189 20 30 GGEDRO N#C[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000161616118 1424725756 /nfs/dbraw/zinc/72/57/56/1424725756.db2.gz JULMJXBZQSQVPX-QFIPXVFZSA-N 1 0 397.567 3.062 20 30 GGEDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000161675775 1424738143 /nfs/dbraw/zinc/73/81/43/1424738143.db2.gz AZGLXGSXPZRNPF-UHFFFAOYSA-N 1 0 381.436 3.371 20 30 GGEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)COc1ccc(C#N)cc1 ZINC000161683531 1424739579 /nfs/dbraw/zinc/73/95/79/1424739579.db2.gz SAGUJMDEQJRKDG-HXUWFJFHSA-N 1 0 393.487 3.156 20 30 GGEDRO COc1cc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1OC ZINC000161691867 1424742336 /nfs/dbraw/zinc/74/23/36/1424742336.db2.gz QPRJRNUPTVCERL-HNNXBMFYSA-N 1 0 396.491 3.299 20 30 GGEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000161700937 1424743560 /nfs/dbraw/zinc/74/35/60/1424743560.db2.gz PMPKZMGLQOHQGQ-INIZCTEOSA-N 1 0 391.475 3.229 20 30 GGEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161793855 1424766842 /nfs/dbraw/zinc/76/68/42/1424766842.db2.gz OUJKNPHVVFSYKT-MRXNPFEDSA-N 1 0 379.464 3.441 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180132382 1429751556 /nfs/dbraw/zinc/75/15/56/1429751556.db2.gz QLXYNFFMONOLJA-GOSISDBHSA-N 1 0 393.535 3.333 20 30 GGEDRO CC(C)Cc1nnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000161863921 1424782606 /nfs/dbraw/zinc/78/26/06/1424782606.db2.gz FMASDNFJMYMUBF-UHFFFAOYSA-N 1 0 386.525 3.204 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000161959947 1424803786 /nfs/dbraw/zinc/80/37/86/1424803786.db2.gz GXOAEGPTRDSFOS-GOSISDBHSA-N 1 0 381.476 3.438 20 30 GGEDRO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000162257874 1424832216 /nfs/dbraw/zinc/83/22/16/1424832216.db2.gz WEXKSTMNLMNQJV-OYSTVDSJSA-N 1 0 377.573 3.340 20 30 GGEDRO N#CCCN(Cc1ccco1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000162361230 1424841661 /nfs/dbraw/zinc/84/16/61/1424841661.db2.gz RFXIFYNQBAPRRJ-UHFFFAOYSA-N 1 0 381.476 3.040 20 30 GGEDRO CC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000162452358 1424854040 /nfs/dbraw/zinc/85/40/40/1424854040.db2.gz BNCYLABESAKYAY-UHFFFAOYSA-N 1 0 379.464 3.112 20 30 GGEDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162571969 1424867803 /nfs/dbraw/zinc/86/78/03/1424867803.db2.gz PTWKUXWSQMBTLH-KRWDZBQOSA-N 1 0 375.538 3.453 20 30 GGEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1C#N ZINC000162586736 1424869160 /nfs/dbraw/zinc/86/91/60/1424869160.db2.gz BITCJXRUKYYPOX-LJQANCHMSA-N 1 0 398.482 3.279 20 30 GGEDRO COC(=O)[C@@H](c1ccccc1C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000162724675 1424885136 /nfs/dbraw/zinc/88/51/36/1424885136.db2.gz KUDLCSSRSVXKFY-JOCHJYFZSA-N 1 0 377.488 3.289 20 30 GGEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)[C@@H]2CCOC2)c1C#N ZINC000162923817 1424906324 /nfs/dbraw/zinc/90/63/24/1424906324.db2.gz VNTFHQIXSGYZQP-CRAIPNDOSA-N 1 0 398.482 3.117 20 30 GGEDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1CO ZINC000162924608 1424907341 /nfs/dbraw/zinc/90/73/41/1424907341.db2.gz IILULSCAZPAZOV-RHSMWYFYSA-N 1 0 375.538 3.310 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000162931921 1424907983 /nfs/dbraw/zinc/90/79/83/1424907983.db2.gz VAWWKMWRUSKKSQ-SFHVURJKSA-N 1 0 386.515 3.411 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1 ZINC000180150692 1429763065 /nfs/dbraw/zinc/76/30/65/1429763065.db2.gz QFSZJIFDYASGSC-MRXNPFEDSA-N 1 0 382.895 3.211 20 30 GGEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000163016896 1424923975 /nfs/dbraw/zinc/92/39/75/1424923975.db2.gz VONQPIWVFUQNQG-OAQYLSRUSA-N 1 0 391.515 3.396 20 30 GGEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1F ZINC000163079016 1424936061 /nfs/dbraw/zinc/93/60/61/1424936061.db2.gz DOJQPGSCTKUERZ-OAQYLSRUSA-N 1 0 381.451 3.025 20 30 GGEDRO COc1cc(/C=C/C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1OCC#N ZINC000180157096 1429767233 /nfs/dbraw/zinc/76/72/33/1429767233.db2.gz JVETWQXDSKDLOK-CDLAPJCCSA-N 1 0 391.471 3.172 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2SC(C)C)CC1 ZINC000163262109 1424968809 /nfs/dbraw/zinc/96/88/09/1424968809.db2.gz DQXQYYWQMCFWMP-UHFFFAOYSA-N 1 0 375.538 3.282 20 30 GGEDRO COc1cc(/C=C/C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1OCC#N ZINC000163338595 1424981110 /nfs/dbraw/zinc/98/11/10/1424981110.db2.gz WLCZABOOWFQYCK-XSBJJCPUSA-N 1 0 385.508 3.095 20 30 GGEDRO C[NH+]1CCN(Cc2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)CC1 ZINC000163533154 1425012365 /nfs/dbraw/zinc/01/23/65/1425012365.db2.gz FGPPZPVIQRVANP-UHFFFAOYSA-N 1 0 392.503 3.102 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNc1cccc(C#N)c1 ZINC000163695299 1425035250 /nfs/dbraw/zinc/03/52/50/1425035250.db2.gz OWIJTEAVEYJFSP-NRFANRHFSA-N 1 0 376.504 3.341 20 30 GGEDRO Cn1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180160163 1429771698 /nfs/dbraw/zinc/77/16/98/1429771698.db2.gz NUTAFVTYIUJDCK-UHFFFAOYSA-N 1 0 377.414 3.075 20 30 GGEDRO C#CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000163854754 1425051108 /nfs/dbraw/zinc/05/11/08/1425051108.db2.gz HXHLJDFUQKTYEV-UHFFFAOYSA-N 1 0 378.472 3.155 20 30 GGEDRO C=CCc1cc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c(O)c(OC)c1 ZINC000163978285 1425064605 /nfs/dbraw/zinc/06/46/05/1425064605.db2.gz WYZOCECBYQYFIV-UHFFFAOYSA-N 1 0 396.516 3.456 20 30 GGEDRO N#Cc1ccsc1NC(=O)CCN1CCN(Cc2ccccc2Cl)CC1 ZINC000164029337 1425069634 /nfs/dbraw/zinc/06/96/34/1425069634.db2.gz QTOOBNAPEFMDNS-UHFFFAOYSA-N 1 0 388.924 3.420 20 30 GGEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000164279448 1425094493 /nfs/dbraw/zinc/09/44/93/1425094493.db2.gz SSXBNYAXISWYLF-XLIONFOSSA-N 1 0 379.460 3.287 20 30 GGEDRO Cn1cc(C[NH2+]CCc2cc(F)cc3c2OCOC3)c(-c2ccc(C#N)cc2)n1 ZINC000180169375 1429778088 /nfs/dbraw/zinc/77/80/88/1429778088.db2.gz JRRUDTYIVQNYJL-UHFFFAOYSA-N 1 0 392.434 3.297 20 30 GGEDRO C=CCn1c(-c2ccncc2)nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164659507 1425132835 /nfs/dbraw/zinc/13/28/35/1425132835.db2.gz GBFUFKVXRIDQNL-MSOLQXFVSA-N 1 0 384.553 3.036 20 30 GGEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1=S ZINC000164664567 1425133188 /nfs/dbraw/zinc/13/31/88/1425133188.db2.gz DNTRVTBZBFAZCO-MOPGFXCFSA-N 1 0 398.580 3.426 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000165065197 1425161385 /nfs/dbraw/zinc/16/13/85/1425161385.db2.gz SITBCBAEQRZXFX-FPOVZHCZSA-N 1 0 396.535 3.449 20 30 GGEDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(F)(F)F)c(C#N)c3)cn2)CC1 ZINC000165363060 1425177652 /nfs/dbraw/zinc/17/76/52/1425177652.db2.gz WTEBTNVFCFKLNN-UHFFFAOYSA-N 1 0 375.398 3.336 20 30 GGEDRO CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000165539072 1425184589 /nfs/dbraw/zinc/18/45/89/1425184589.db2.gz URKLEROSDDHMHG-SFTDATJTSA-N 1 0 383.540 3.359 20 30 GGEDRO CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000165538930 1425185120 /nfs/dbraw/zinc/18/51/20/1425185120.db2.gz URKLEROSDDHMHG-RTWAWAEBSA-N 1 0 383.540 3.359 20 30 GGEDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000165691198 1425192439 /nfs/dbraw/zinc/19/24/39/1425192439.db2.gz NRLXHGRAIZSHDZ-AWEZNQCLSA-N 1 0 389.521 3.245 20 30 GGEDRO CC[NH+]1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2)CC1 ZINC000165719357 1425194011 /nfs/dbraw/zinc/19/40/11/1425194011.db2.gz VPCITPXEAZVMJM-UHFFFAOYSA-N 1 0 379.464 3.216 20 30 GGEDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000170652750 1425278479 /nfs/dbraw/zinc/27/84/79/1425278479.db2.gz KFQPBZKNVMZJBU-QGZVFWFLSA-N 1 0 386.496 3.218 20 30 GGEDRO Cc1cc(C(=O)NC2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000170775668 1425337106 /nfs/dbraw/zinc/33/71/06/1425337106.db2.gz MJRVPKCLYOHQKR-UHFFFAOYSA-N 1 0 381.476 3.431 20 30 GGEDRO N#CCOc1ccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000170804341 1425348913 /nfs/dbraw/zinc/34/89/13/1425348913.db2.gz XUQUVACTWDVRKM-OAQYLSRUSA-N 1 0 378.476 3.225 20 30 GGEDRO CCOCCCNC(=[NH2+])NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000170904004 1425386573 /nfs/dbraw/zinc/38/65/73/1425386573.db2.gz YDGDQJHFZXIBJD-LJQANCHMSA-N 1 0 386.565 3.178 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1OC ZINC000170909094 1425388269 /nfs/dbraw/zinc/38/82/69/1425388269.db2.gz YPCVJSMPBZWVQP-DENIHFKCSA-N 1 0 397.519 3.319 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCc2c(OC)ccc3ccccc32)cc1OC ZINC000170911120 1425388360 /nfs/dbraw/zinc/38/83/60/1425388360.db2.gz DADLHWGFOGBCAS-UHFFFAOYSA-N 1 0 379.460 3.470 20 30 GGEDRO COc1cccc(Oc2ccc(CNC(=[NH2+])NCc3ccccc3OC)cn2)c1 ZINC000170911883 1425388575 /nfs/dbraw/zinc/38/85/75/1425388575.db2.gz GUJOSCZRKCYYHR-UHFFFAOYSA-N 1 0 392.459 3.496 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000170909368 1425388718 /nfs/dbraw/zinc/38/87/18/1425388718.db2.gz PPQOVADRHLEDLX-UHFFFAOYSA-N 1 0 397.397 3.249 20 30 GGEDRO CN(C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000170918956 1425392293 /nfs/dbraw/zinc/39/22/93/1425392293.db2.gz HZOFUGILPPMBOE-QGZVFWFLSA-N 1 0 386.496 3.076 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)CC1 ZINC000170982716 1425424669 /nfs/dbraw/zinc/42/46/69/1425424669.db2.gz XAFSDIUMDRLJPP-UHFFFAOYSA-N 1 0 378.520 3.440 20 30 GGEDRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2NC1=O ZINC000171066428 1425465012 /nfs/dbraw/zinc/46/50/12/1425465012.db2.gz GXUCJDURFODLKK-OAHLLOKOSA-N 1 0 389.455 3.373 20 30 GGEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000171112188 1425489597 /nfs/dbraw/zinc/48/95/97/1425489597.db2.gz LJEBEFMWUZYSEQ-KRWDZBQOSA-N 1 0 390.487 3.159 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000171112990 1425489820 /nfs/dbraw/zinc/48/98/20/1425489820.db2.gz RMQINZAZAYROFX-QGZVFWFLSA-N 1 0 390.487 3.301 20 30 GGEDRO COCCC[NH+]1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000171124514 1425493943 /nfs/dbraw/zinc/49/39/43/1425493943.db2.gz DCURLNVFMUZMTQ-UHFFFAOYSA-N 1 0 377.488 3.456 20 30 GGEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000171148605 1425507997 /nfs/dbraw/zinc/50/79/97/1425507997.db2.gz ZUYCJDQQJBMIQT-UHFFFAOYSA-N 1 0 380.496 3.296 20 30 GGEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H](C)O1 ZINC000171154013 1425512125 /nfs/dbraw/zinc/51/21/25/1425512125.db2.gz CJAZARCYOKEMIM-NUJGCVRESA-N 1 0 387.528 3.220 20 30 GGEDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)c2C1 ZINC000171192462 1425532257 /nfs/dbraw/zinc/53/22/57/1425532257.db2.gz SUQBVQGMHSUROS-UHFFFAOYSA-N 1 0 390.487 3.288 20 30 GGEDRO N#Cc1ccccc1CN1C(=O)CN(C[N@H+](CC2CC2)C2CCCCC2)C1=O ZINC000171214566 1425543608 /nfs/dbraw/zinc/54/36/08/1425543608.db2.gz HDMGBPJLAVOYCI-UHFFFAOYSA-N 1 0 380.492 3.325 20 30 GGEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000171225699 1425549526 /nfs/dbraw/zinc/54/95/26/1425549526.db2.gz PGQGNWAOKQZENB-QGZVFWFLSA-N 1 0 380.492 3.303 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2scnc2c1)C(C)C ZINC000171270128 1425586212 /nfs/dbraw/zinc/58/62/12/1425586212.db2.gz DOTIPGBINJAJQW-QGZVFWFLSA-N 1 0 386.521 3.050 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sc(-c2ncccn2)nc1C)C(C)C ZINC000171314419 1425612791 /nfs/dbraw/zinc/61/27/91/1425612791.db2.gz UYLNYEFUWQMDIP-INIZCTEOSA-N 1 0 385.537 3.337 20 30 GGEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCCCCC#N)CC1 ZINC000171438146 1425678391 /nfs/dbraw/zinc/67/83/91/1425678391.db2.gz LJPQABKCYSFXML-MRXNPFEDSA-N 1 0 375.492 3.022 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000171548268 1425729905 /nfs/dbraw/zinc/72/99/05/1425729905.db2.gz AYIWREMCTZXNTP-UHFFFAOYSA-N 1 0 396.491 3.372 20 30 GGEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171585106 1425745370 /nfs/dbraw/zinc/74/53/70/1425745370.db2.gz PCIBXSAWOLYHRC-DLBZAZTESA-N 1 0 381.561 3.425 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000171590841 1425751676 /nfs/dbraw/zinc/75/16/76/1425751676.db2.gz QJVSHHSZNTXXSE-UHFFFAOYSA-N 1 0 399.322 3.272 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000171696964 1425792343 /nfs/dbraw/zinc/79/23/43/1425792343.db2.gz HQBNKOGZUYXGGQ-MRXNPFEDSA-N 1 0 375.513 3.495 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000171715641 1425800935 /nfs/dbraw/zinc/80/09/35/1425800935.db2.gz HBFHUZBTWJGQQP-OAHLLOKOSA-N 1 0 396.318 3.113 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)CC1 ZINC000171716153 1425801026 /nfs/dbraw/zinc/80/10/26/1425801026.db2.gz XGCUHZXLAMCETD-UHFFFAOYSA-N 1 0 377.488 3.343 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)CC1 ZINC000171718351 1425802088 /nfs/dbraw/zinc/80/20/88/1425802088.db2.gz HTBWMOAKIUSWQS-UHFFFAOYSA-N 1 0 383.517 3.058 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000171719798 1425802888 /nfs/dbraw/zinc/80/28/88/1425802888.db2.gz XXILYXJCYDXKOE-UHFFFAOYSA-N 1 0 393.466 3.182 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 ZINC000171721052 1425803251 /nfs/dbraw/zinc/80/32/51/1425803251.db2.gz YSAXUIUZDZKTIQ-UHFFFAOYSA-N 1 0 375.419 3.319 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000171721605 1425803316 /nfs/dbraw/zinc/80/33/16/1425803316.db2.gz XEPQKCRVSMEVGC-QFIPXVFZSA-N 1 0 391.515 3.314 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)CC1 ZINC000171721457 1425803327 /nfs/dbraw/zinc/80/33/27/1425803327.db2.gz WIHLMBSLYZJHQQ-DHZHZOJOSA-N 1 0 377.488 3.440 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 ZINC000171721220 1425803475 /nfs/dbraw/zinc/80/34/75/1425803475.db2.gz COORLDLQEGDXRM-UHFFFAOYSA-N 1 0 390.890 3.413 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 ZINC000171723224 1425803964 /nfs/dbraw/zinc/80/39/64/1425803964.db2.gz VRNYNTGVMQOOOS-UHFFFAOYSA-N 1 0 386.496 3.211 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H](C)CC)CC1 ZINC000171727681 1425804426 /nfs/dbraw/zinc/80/44/26/1425804426.db2.gz GOBQJZAXWBMYPQ-HNAYVOBHSA-N 1 0 391.943 3.251 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccccc3F)s2)CC1 ZINC000171739841 1425807954 /nfs/dbraw/zinc/80/79/54/1425807954.db2.gz BZSHOBXOAHYSJG-UHFFFAOYSA-N 1 0 375.473 3.040 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)CC1 ZINC000171739663 1425808110 /nfs/dbraw/zinc/80/81/10/1425808110.db2.gz DBORMAQPTJGGGB-UHFFFAOYSA-N 1 0 398.429 3.059 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000171739295 1425808211 /nfs/dbraw/zinc/80/82/11/1425808211.db2.gz CVSNXXHFEMMAGU-INIZCTEOSA-N 1 0 392.494 3.003 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000171780907 1425818565 /nfs/dbraw/zinc/81/85/65/1425818565.db2.gz QFCUTIXHAFDSOF-HXUWFJFHSA-N 1 0 391.943 3.445 20 30 GGEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000171890953 1425845114 /nfs/dbraw/zinc/84/51/14/1425845114.db2.gz UFHNXXSKSHQRLU-HXUWFJFHSA-N 1 0 389.459 3.122 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)CC1 ZINC000171907772 1425848850 /nfs/dbraw/zinc/84/88/50/1425848850.db2.gz UZUMNUPXJJNJGI-HNAYVOBHSA-N 1 0 377.916 3.462 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)CC1 ZINC000171907770 1425848987 /nfs/dbraw/zinc/84/89/87/1425848987.db2.gz UZUMNUPXJJNJGI-KXBFYZLASA-N 1 0 377.916 3.462 20 30 GGEDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000171956153 1425860945 /nfs/dbraw/zinc/86/09/45/1425860945.db2.gz UCGZUGWXBNJBLU-ZDUSSCGKSA-N 1 0 394.903 3.385 20 30 GGEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000171962369 1425862598 /nfs/dbraw/zinc/86/25/98/1425862598.db2.gz ZBPQKEMYENUSOI-IBGZPJMESA-N 1 0 396.878 3.278 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)C1 ZINC000172054757 1425883930 /nfs/dbraw/zinc/88/39/30/1425883930.db2.gz SSQGDOYMLSVZSA-AEFFLSMTSA-N 1 0 389.544 3.373 20 30 GGEDRO C[C@H]([NH2+]C1(CNC(=O)Cc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000172062059 1425886592 /nfs/dbraw/zinc/88/65/92/1425886592.db2.gz ZZANXXVHBPGHKL-SFHVURJKSA-N 1 0 377.488 3.117 20 30 GGEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000172112375 1425899397 /nfs/dbraw/zinc/89/93/97/1425899397.db2.gz ZTLOAOODPHSDOP-UHFFFAOYSA-N 1 0 386.517 3.019 20 30 GGEDRO CN(C(=O)NCc1ccc(OCC#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172261889 1425973192 /nfs/dbraw/zinc/97/31/92/1425973192.db2.gz JBVXIZIQXBHXSF-UHFFFAOYSA-N 1 0 392.503 3.395 20 30 GGEDRO C=CCn1c2ccccc2n(CN2CC[NH+](CC3CCOCC3)CC2)c1=S ZINC000172407511 1426028650 /nfs/dbraw/zinc/02/86/50/1426028650.db2.gz BGEBGWYGNNYSAN-UHFFFAOYSA-N 1 0 386.565 3.360 20 30 GGEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000172411127 1426030606 /nfs/dbraw/zinc/03/06/06/1426030606.db2.gz YAEOVZWPPVWIAK-UHFFFAOYSA-N 1 0 388.874 3.448 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172580701 1426096676 /nfs/dbraw/zinc/09/66/76/1426096676.db2.gz YQCJBMSACFEGBA-SFHVURJKSA-N 1 0 386.515 3.411 20 30 GGEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@@H+](C3CCCC3)CC1)CCC2 ZINC000172583586 1426097638 /nfs/dbraw/zinc/09/76/38/1426097638.db2.gz OTLPNLZUOWBUJO-UHFFFAOYSA-N 1 0 386.565 3.387 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000172648651 1426126706 /nfs/dbraw/zinc/12/67/06/1426126706.db2.gz RTOYILLSLYDGJC-GOSISDBHSA-N 1 0 379.460 3.296 20 30 GGEDRO N#Cc1ccc(N2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)nc1 ZINC000172651879 1426127948 /nfs/dbraw/zinc/12/79/48/1426127948.db2.gz HGSNCDLMOWYEAL-UHFFFAOYSA-N 1 0 394.866 3.021 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000172675168 1426138172 /nfs/dbraw/zinc/13/81/72/1426138172.db2.gz QZMFDUXYZHQPTC-UHFFFAOYSA-N 1 0 398.532 3.198 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000172674774 1426138283 /nfs/dbraw/zinc/13/82/83/1426138283.db2.gz CYFVFYCAWSGLAB-UHFFFAOYSA-N 1 0 397.544 3.399 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000172700074 1426150263 /nfs/dbraw/zinc/15/02/63/1426150263.db2.gz NLEAGFMYVKGCKB-IBGZPJMESA-N 1 0 392.503 3.395 20 30 GGEDRO CN(C(=O)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000172718853 1426158577 /nfs/dbraw/zinc/15/85/77/1426158577.db2.gz CSZBKTRUAAHIQJ-NRFANRHFSA-N 1 0 390.487 3.171 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCC(=O)N(CCC#N)Cc3ccco3)CC2)c1 ZINC000172726777 1426162120 /nfs/dbraw/zinc/16/21/20/1426162120.db2.gz CNOVXQONRIOJSX-UHFFFAOYSA-N 1 0 380.492 3.043 20 30 GGEDRO Cc1cc2c(cc1C)O[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C2 ZINC000172899489 1426245755 /nfs/dbraw/zinc/24/57/55/1426245755.db2.gz AWNYBHCLVUTKHG-QFIPXVFZSA-N 1 0 377.488 3.069 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000172899529 1426246064 /nfs/dbraw/zinc/24/60/64/1426246064.db2.gz YWCJLGPXFSWKSN-OAQYLSRUSA-N 1 0 379.529 3.479 20 30 GGEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[C@H]([NH+]3CC=CC3)C2)c1=S ZINC000172933571 1426272179 /nfs/dbraw/zinc/27/21/79/1426272179.db2.gz LHIMHVAOYVUOAB-INIZCTEOSA-N 1 0 385.512 3.310 20 30 GGEDRO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000172950622 1426281740 /nfs/dbraw/zinc/28/17/40/1426281740.db2.gz MFBLTDJBIGOOSQ-YLJYHZDGSA-N 1 0 391.496 3.304 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)CC1 ZINC000173101932 1426342849 /nfs/dbraw/zinc/34/28/49/1426342849.db2.gz QPRSWXQHPOEYPM-UHFFFAOYSA-N 1 0 376.407 3.058 20 30 GGEDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000173121044 1426351647 /nfs/dbraw/zinc/35/16/47/1426351647.db2.gz YKQZNPRQLBTDCN-UHFFFAOYSA-N 1 0 382.464 3.440 20 30 GGEDRO C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000173179561 1426380297 /nfs/dbraw/zinc/38/02/97/1426380297.db2.gz DWQIYKYWNBLGJF-IBGZPJMESA-N 1 0 399.535 3.257 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)CC1 ZINC000173197770 1426387673 /nfs/dbraw/zinc/38/76/73/1426387673.db2.gz WOGWPQVAPWYUOJ-QFIPXVFZSA-N 1 0 385.552 3.379 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173198591 1426387700 /nfs/dbraw/zinc/38/77/00/1426387700.db2.gz IKLQBYJCOJRLDX-AEFFLSMTSA-N 1 0 394.560 3.020 20 30 GGEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000173223554 1426407048 /nfs/dbraw/zinc/40/70/48/1426407048.db2.gz YNICYPLBHAOVDZ-QFIPXVFZSA-N 1 0 397.544 3.232 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000173222935 1426407337 /nfs/dbraw/zinc/40/73/37/1426407337.db2.gz MVRFPGDLYVWWCB-OAQYLSRUSA-N 1 0 397.544 3.399 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000173224192 1426408269 /nfs/dbraw/zinc/40/82/69/1426408269.db2.gz YUOPOOLBYKVQBU-OAQYLSRUSA-N 1 0 397.544 3.399 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)ccc2NC1=O ZINC000173225032 1426410341 /nfs/dbraw/zinc/41/03/41/1426410341.db2.gz YVXKDRIWMSRQSI-TYILLQQXSA-N 1 0 392.459 3.346 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(C(C)C)sc3c2)CC1 ZINC000173273081 1426450873 /nfs/dbraw/zinc/45/08/73/1426450873.db2.gz BHNAQOHRJAWGEO-UHFFFAOYSA-N 1 0 386.521 3.125 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000173274376 1426452104 /nfs/dbraw/zinc/45/21/04/1426452104.db2.gz BAJLUZPFPTXJOM-UHFFFAOYSA-N 1 0 389.805 3.064 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000173274502 1426452870 /nfs/dbraw/zinc/45/28/70/1426452870.db2.gz VYNWLHZDBKJQHX-UHFFFAOYSA-N 1 0 389.805 3.064 20 30 GGEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000173306045 1426487088 /nfs/dbraw/zinc/48/70/88/1426487088.db2.gz SQKVQWYNNGSWKL-UHFFFAOYSA-N 1 0 378.476 3.111 20 30 GGEDRO CCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000173309792 1426493190 /nfs/dbraw/zinc/49/31/90/1426493190.db2.gz QNUDNXIMUKYWBV-UHFFFAOYSA-N 1 0 380.448 3.233 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000173325196 1426507773 /nfs/dbraw/zinc/50/77/73/1426507773.db2.gz VNNNNRXNJRFINI-LPHOPBHVSA-N 1 0 389.546 3.290 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000173334905 1426515886 /nfs/dbraw/zinc/51/58/86/1426515886.db2.gz KCVKWGUJIDRTNM-KRWDZBQOSA-N 1 0 380.496 3.493 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000173354899 1426530611 /nfs/dbraw/zinc/53/06/11/1426530611.db2.gz KXWGAWCAAVNKLT-KRWDZBQOSA-N 1 0 380.496 3.493 20 30 GGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ccn(CCC#N)n3)cc2)C1 ZINC000173354924 1426531023 /nfs/dbraw/zinc/53/10/23/1426531023.db2.gz DKCRTMGIPWRNTL-QGZVFWFLSA-N 1 0 380.496 3.350 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000173354888 1426531057 /nfs/dbraw/zinc/53/10/57/1426531057.db2.gz KXWGAWCAAVNKLT-QGZVFWFLSA-N 1 0 380.496 3.493 20 30 GGEDRO CC1CC[NH+]([C@H](CNC(=O)Nc2ccn(CCC#N)n2)c2cccs2)CC1 ZINC000173360628 1426535029 /nfs/dbraw/zinc/53/50/29/1426535029.db2.gz SCTSMKCWECYGOO-MRXNPFEDSA-N 1 0 386.525 3.453 20 30 GGEDRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ccn(CCC#N)n3)cc2)CC1 ZINC000173372088 1426544961 /nfs/dbraw/zinc/54/49/61/1426544961.db2.gz ANTZRWMYMXPUIB-UHFFFAOYSA-N 1 0 380.496 3.350 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000173516826 1426688632 /nfs/dbraw/zinc/68/86/32/1426688632.db2.gz KYJKNYLAAWGDOI-GOSISDBHSA-N 1 0 393.487 3.069 20 30 GGEDRO CC(C)CCN(CCC#N)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000173547550 1426721140 /nfs/dbraw/zinc/72/11/40/1426721140.db2.gz JNLGIOJMVFNZER-UHFFFAOYSA-N 1 0 388.581 3.436 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000173580645 1426745524 /nfs/dbraw/zinc/74/55/24/1426745524.db2.gz JRVORCYDLGTEEM-OAQYLSRUSA-N 1 0 379.529 3.479 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1SCCc2ccccc21 ZINC000173580632 1426745538 /nfs/dbraw/zinc/74/55/38/1426745538.db2.gz JRVORCYDLGTEEM-NRFANRHFSA-N 1 0 379.529 3.479 20 30 GGEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nnc5ccccn54)C3)o2)cc1 ZINC000173776238 1426848013 /nfs/dbraw/zinc/84/80/13/1426848013.db2.gz NVUWOXRFXISEJU-QGZVFWFLSA-N 1 0 385.431 3.031 20 30 GGEDRO C#CCOc1ccc(F)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000173781376 1426849924 /nfs/dbraw/zinc/84/99/24/1426849924.db2.gz VIPQFCROLBRDNW-UHFFFAOYSA-N 1 0 394.450 3.305 20 30 GGEDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000173790999 1426852027 /nfs/dbraw/zinc/85/20/27/1426852027.db2.gz HMKNLTCULMZUKV-MRXNPFEDSA-N 1 0 388.581 3.491 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173798288 1426853972 /nfs/dbraw/zinc/85/39/72/1426853972.db2.gz PQHIYTQBCZXJGW-UHFFFAOYSA-N 1 0 394.431 3.338 20 30 GGEDRO C[C@@H](CCc1cccn1C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000173826732 1426861890 /nfs/dbraw/zinc/86/18/90/1426861890.db2.gz DTXXOOYESMRWBA-IBGZPJMESA-N 1 0 393.535 3.135 20 30 GGEDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000173851232 1426870777 /nfs/dbraw/zinc/87/07/77/1426870777.db2.gz CDGXFZZCZQYTJE-GOSISDBHSA-N 1 0 376.932 3.311 20 30 GGEDRO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000173877213 1426878999 /nfs/dbraw/zinc/87/89/99/1426878999.db2.gz XBPACABCSOATNX-JTQLQIEISA-N 1 0 377.291 3.225 20 30 GGEDRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)CC1 ZINC000173882357 1426880734 /nfs/dbraw/zinc/88/07/34/1426880734.db2.gz CKWXPPCQFFXKEZ-UHFFFAOYSA-N 1 0 376.504 3.487 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CCN(c2ccc(C)cn2)CC1)C(C)C ZINC000173927362 1426895460 /nfs/dbraw/zinc/89/54/60/1426895460.db2.gz WPABCRBCAGHLHK-OAQYLSRUSA-N 1 0 399.583 3.357 20 30 GGEDRO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC000173972120 1426917622 /nfs/dbraw/zinc/91/76/22/1426917622.db2.gz ZGJJSABRCARCGL-UHFFFAOYSA-N 1 0 377.492 3.130 20 30 GGEDRO N#CCCN(C(=O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1)c1ccccc1 ZINC000173984451 1426926892 /nfs/dbraw/zinc/92/68/92/1426926892.db2.gz WPYZDYSVLYRYQK-NRFANRHFSA-N 1 0 377.488 3.472 20 30 GGEDRO N#Cc1ccc(OCCC[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000174054733 1426975321 /nfs/dbraw/zinc/97/53/21/1426975321.db2.gz VPXXBPGXCJFLGD-UHFFFAOYSA-N 1 0 377.444 3.342 20 30 GGEDRO C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)NC[C@H]1CCc2ccccc21 ZINC000174059159 1426979297 /nfs/dbraw/zinc/97/92/97/1426979297.db2.gz BCVTVCSFCKPRIO-HXUWFJFHSA-N 1 0 388.519 3.279 20 30 GGEDRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000174088820 1426995945 /nfs/dbraw/zinc/99/59/45/1426995945.db2.gz SNNWLRKNZPDVCH-UHFFFAOYSA-N 1 0 397.445 3.116 20 30 GGEDRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000174088631 1426995967 /nfs/dbraw/zinc/99/59/67/1426995967.db2.gz RCECONKELVJRHO-STQMWFEESA-N 1 0 384.402 3.198 20 30 GGEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174098962 1427001696 /nfs/dbraw/zinc/00/16/96/1427001696.db2.gz VWFSEHQTRSIHLI-HNNXBMFYSA-N 1 0 384.402 3.152 20 30 GGEDRO CN(C)C(=O)c1cccc(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)c1 ZINC000174128240 1427013413 /nfs/dbraw/zinc/01/34/13/1427013413.db2.gz HASLBKCBTXUNLP-UHFFFAOYSA-N 1 0 380.492 3.216 20 30 GGEDRO NC(=[NH+]OCc1ccc(OC(F)F)cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000174126856 1427013722 /nfs/dbraw/zinc/01/37/22/1427013722.db2.gz GHILEAAFNNIEJE-UHFFFAOYSA-N 1 0 391.418 3.086 20 30 GGEDRO COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000174128780 1427014553 /nfs/dbraw/zinc/01/45/53/1427014553.db2.gz NVABBZXXNDPLGI-UHFFFAOYSA-N 1 0 396.491 3.270 20 30 GGEDRO C[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000174129493 1427014664 /nfs/dbraw/zinc/01/46/64/1427014664.db2.gz FDWZXCIBQPDZJQ-QGZVFWFLSA-N 1 0 380.492 3.191 20 30 GGEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174138894 1427018621 /nfs/dbraw/zinc/01/86/21/1427018621.db2.gz HNZJJAPXHWOCRQ-QGZVFWFLSA-N 1 0 379.426 3.184 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)C[C@H]2CCCOC2)c1C#N ZINC000174141498 1427019421 /nfs/dbraw/zinc/01/94/21/1427019421.db2.gz DZUWDSVRTVLXGI-GOSISDBHSA-N 1 0 380.492 3.263 20 30 GGEDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000174207554 1427051344 /nfs/dbraw/zinc/05/13/44/1427051344.db2.gz SDJRJEXEVOKYDA-KRWDZBQOSA-N 1 0 376.932 3.250 20 30 GGEDRO COc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C#N ZINC000174246138 1427067656 /nfs/dbraw/zinc/06/76/56/1427067656.db2.gz PSTNTSYVOSMWRD-UHFFFAOYSA-N 1 0 399.516 3.031 20 30 GGEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000174281366 1427083448 /nfs/dbraw/zinc/08/34/48/1427083448.db2.gz QIELLDXSWJQAJY-LJQANCHMSA-N 1 0 381.476 3.275 20 30 GGEDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)cc1C#N ZINC000174304865 1427093318 /nfs/dbraw/zinc/09/33/18/1427093318.db2.gz KFQDIWVWPBHUMV-INIZCTEOSA-N 1 0 380.366 3.115 20 30 GGEDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)cc1C#N ZINC000174306777 1427094197 /nfs/dbraw/zinc/09/41/97/1427094197.db2.gz DDPOXJKFIXTNBY-CQSZACIVSA-N 1 0 381.259 3.403 20 30 GGEDRO CCO[C@@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000174332644 1427105565 /nfs/dbraw/zinc/10/55/65/1427105565.db2.gz HAIAUVPRIQLZAK-NRFANRHFSA-N 1 0 386.540 3.227 20 30 GGEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174355833 1427117468 /nfs/dbraw/zinc/11/74/68/1427117468.db2.gz VNDYPBSEEKAPGZ-UHFFFAOYSA-N 1 0 388.515 3.134 20 30 GGEDRO C[C@H](CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccccc1 ZINC000174410556 1427145986 /nfs/dbraw/zinc/14/59/86/1427145986.db2.gz CASVCEPPGOPSIZ-OAHLLOKOSA-N 1 0 398.894 3.177 20 30 GGEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(CCC#N)CC(F)(F)F)cc2)CC1 ZINC000174432399 1427153360 /nfs/dbraw/zinc/15/33/60/1427153360.db2.gz DRCJITSAFJAACQ-UHFFFAOYSA-N 1 0 382.430 3.135 20 30 GGEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CN2CCN(c3ccccc3)CC2)cc1 ZINC000174438451 1427156285 /nfs/dbraw/zinc/15/62/85/1427156285.db2.gz GNUCQWSSRGELOD-VQTJNVASSA-N 1 0 378.520 3.278 20 30 GGEDRO N#CCCN(C(=O)CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000174529203 1427205831 /nfs/dbraw/zinc/20/58/31/1427205831.db2.gz JLCBGZDGPNIHBZ-HXUWFJFHSA-N 1 0 396.535 3.048 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000174567658 1427228189 /nfs/dbraw/zinc/22/81/89/1427228189.db2.gz GRAUGOWSWQDGCZ-UHFFFAOYSA-N 1 0 385.508 3.203 20 30 GGEDRO COc1cc(/C=C/C(=O)N2CC[N@H+](C)CC23CCCCC3)ccc1OCC#N ZINC000174571278 1427232416 /nfs/dbraw/zinc/23/24/16/1427232416.db2.gz ZPFOEJPAZVUZOX-VQHVLOKHSA-N 1 0 383.492 3.088 20 30 GGEDRO CCC[NH+](CCC)CCCC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000174578410 1427237035 /nfs/dbraw/zinc/23/70/35/1427237035.db2.gz VRWIWXKVHPEBRB-UHFFFAOYSA-N 1 0 386.540 3.360 20 30 GGEDRO N#C[C@H](c1ccccc1)N1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000174578311 1427237051 /nfs/dbraw/zinc/23/70/51/1427237051.db2.gz UWNIBPYFGMZCPF-OAQYLSRUSA-N 1 0 396.922 3.229 20 30 GGEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174627215 1427273925 /nfs/dbraw/zinc/27/39/25/1427273925.db2.gz XGVAFLHAJJIULB-UHFFFAOYSA-N 1 0 390.531 3.358 20 30 GGEDRO C[C@](CO)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000174791825 1427370212 /nfs/dbraw/zinc/37/02/12/1427370212.db2.gz LNGKYMMXKYCELC-HXUWFJFHSA-N 1 0 396.453 3.094 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1 ZINC000174792689 1427370748 /nfs/dbraw/zinc/37/07/48/1427370748.db2.gz PKIWVHMLIBVEFI-VQTJNVASSA-N 1 0 382.508 3.201 20 30 GGEDRO N#CCCn1cc(C(=O)CN(CCC(N)=O)Cc2ccccc2)c2ccccc21 ZINC000174813161 1427381971 /nfs/dbraw/zinc/38/19/71/1427381971.db2.gz VJRLWSPOFZLVEW-UHFFFAOYSA-N 1 0 388.471 3.115 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000174907316 1427439970 /nfs/dbraw/zinc/43/99/70/1427439970.db2.gz QJXSCULYKRGOQC-REWPJTCUSA-N 1 0 380.488 3.060 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000174907337 1427440022 /nfs/dbraw/zinc/44/00/22/1427440022.db2.gz QJXSCULYKRGOQC-NZQKXSOJSA-N 1 0 380.488 3.060 20 30 GGEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000174930474 1427451618 /nfs/dbraw/zinc/45/16/18/1427451618.db2.gz HIUMCACRGPGHIX-WMZOPIPTSA-N 1 0 381.476 3.363 20 30 GGEDRO CS(=O)(=O)CC1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000174939721 1427455658 /nfs/dbraw/zinc/45/56/58/1427455658.db2.gz KVNGYFXCVCXEIG-UHFFFAOYSA-N 1 0 384.501 3.052 20 30 GGEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174954452 1427464644 /nfs/dbraw/zinc/46/46/44/1427464644.db2.gz WYBOQGBWEBXUKY-NRFANRHFSA-N 1 0 376.504 3.483 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCCC(C)C)cc2)CC1 ZINC000175131543 1427562127 /nfs/dbraw/zinc/56/21/27/1427562127.db2.gz KSDCVBFRNFGSJG-UHFFFAOYSA-N 1 0 387.524 3.207 20 30 GGEDRO C[NH+](C)C1CCN(CCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000175150684 1427569994 /nfs/dbraw/zinc/56/99/94/1427569994.db2.gz IFKVABHZRKYKCD-UHFFFAOYSA-N 1 0 390.531 3.234 20 30 GGEDRO Cc1nc(CCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000175185036 1427588537 /nfs/dbraw/zinc/58/85/37/1427588537.db2.gz LLOVYLKXQKGIJZ-UHFFFAOYSA-N 1 0 382.533 3.380 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000175223704 1427611830 /nfs/dbraw/zinc/61/18/30/1427611830.db2.gz VFGWOKPEJZYGNO-SDNWHVSQSA-N 1 0 387.480 3.062 20 30 GGEDRO N#Cc1ccc(F)c(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000175225205 1427612619 /nfs/dbraw/zinc/61/26/19/1427612619.db2.gz SYNHPAYQXYGTKK-UHFFFAOYSA-N 1 0 384.430 3.300 20 30 GGEDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000175266044 1427635058 /nfs/dbraw/zinc/63/50/58/1427635058.db2.gz BSNKDGZVWJLRNA-UWJYYQICSA-N 1 0 388.471 3.158 20 30 GGEDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000175268884 1427636509 /nfs/dbraw/zinc/63/65/09/1427636509.db2.gz RYKYICCJIPFUHI-NIJIEXERSA-N 1 0 388.471 3.161 20 30 GGEDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000175269329 1427637486 /nfs/dbraw/zinc/63/74/86/1427637486.db2.gz FFADRZLPOBVSKQ-UWJYYQICSA-N 1 0 388.471 3.158 20 30 GGEDRO CC(C)[N@H+](C)CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000175278301 1427643317 /nfs/dbraw/zinc/64/33/17/1427643317.db2.gz JAGZZSXWWMIZPE-UHFFFAOYSA-N 1 0 390.538 3.164 20 30 GGEDRO COCC[N@H+](C)CCCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175282263 1427645744 /nfs/dbraw/zinc/64/57/44/1427645744.db2.gz NYLQWNBXFBFMPF-UHFFFAOYSA-N 1 0 383.517 3.408 20 30 GGEDRO N#C[C@@H]1CN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CCO1 ZINC000175348317 1427696334 /nfs/dbraw/zinc/69/63/34/1427696334.db2.gz XWLNAZSAQTZEIL-JOCHJYFZSA-N 1 0 392.503 3.013 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)CC1 ZINC000175474310 1427775100 /nfs/dbraw/zinc/77/51/00/1427775100.db2.gz SHBMNEPXAZDDEL-OAQYLSRUSA-N 1 0 398.551 3.021 20 30 GGEDRO C[NH+]=C(NCC[C@@H]1C(=O)Nc2ccccc21)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000175566555 1427817104 /nfs/dbraw/zinc/81/71/04/1427817104.db2.gz SPROXLUZFCOLAB-PXNSSMCTSA-N 1 0 394.494 3.392 20 30 GGEDRO C[NH+]=C(NCC[C@@H]1C(=O)Nc2ccccc21)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000175566514 1427817114 /nfs/dbraw/zinc/81/71/14/1427817114.db2.gz SPROXLUZFCOLAB-XLIONFOSSA-N 1 0 394.494 3.392 20 30 GGEDRO COC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(C)o1 ZINC000175661901 1427848392 /nfs/dbraw/zinc/84/83/92/1427848392.db2.gz DUPCLBZMCISPFJ-HXUWFJFHSA-N 1 0 396.491 3.065 20 30 GGEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 ZINC000175696404 1427861726 /nfs/dbraw/zinc/86/17/26/1427861726.db2.gz DBDAMLXLJLRRKE-UHFFFAOYSA-N 1 0 382.489 3.445 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)CC1 ZINC000175765531 1427884231 /nfs/dbraw/zinc/88/42/31/1427884231.db2.gz HSTMPUHCOXEXDN-GOSISDBHSA-N 1 0 396.576 3.266 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000175806351 1427900729 /nfs/dbraw/zinc/90/07/29/1427900729.db2.gz DPGLKORGJXOVPF-IFMALSPDSA-N 1 0 389.536 3.205 20 30 GGEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000175812604 1427904811 /nfs/dbraw/zinc/90/48/11/1427904811.db2.gz UZCGQTRJTZFSGQ-MRXNPFEDSA-N 1 0 399.004 3.373 20 30 GGEDRO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175844973 1427926945 /nfs/dbraw/zinc/92/69/45/1427926945.db2.gz XNHGMRBZGNFDAT-UTKZUKDTSA-N 1 0 383.517 3.031 20 30 GGEDRO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000175844987 1427927088 /nfs/dbraw/zinc/92/70/88/1427927088.db2.gz XNHGMRBZGNFDAT-UWJYYQICSA-N 1 0 383.517 3.031 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175845299 1427927171 /nfs/dbraw/zinc/92/71/71/1427927171.db2.gz QLDHVOJIASTUAE-XLIONFOSSA-N 1 0 383.517 3.198 20 30 GGEDRO N#CC(CC[NH+]1CCN(c2ncccn2)CC1)(c1ccccc1)c1ccccc1 ZINC000175848643 1427930553 /nfs/dbraw/zinc/93/05/53/1427930553.db2.gz CRFFDEOFYFQVPU-UHFFFAOYSA-N 1 0 383.499 3.499 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(SCC#N)c2)[C@H](C)C1 ZINC000175976924 1428009397 /nfs/dbraw/zinc/00/93/97/1428009397.db2.gz XARKFTJTOXCASC-APWZRJJASA-N 1 0 375.538 3.169 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2C)CC1 ZINC000176007045 1428023995 /nfs/dbraw/zinc/02/39/95/1428023995.db2.gz HBXGVSIGXXNHRE-UHFFFAOYSA-N 1 0 383.414 3.109 20 30 GGEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176047395 1428048465 /nfs/dbraw/zinc/04/84/65/1428048465.db2.gz RAOMXXOSJSHRHO-UHFFFAOYSA-N 1 0 396.491 3.076 20 30 GGEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000176218584 1428173870 /nfs/dbraw/zinc/17/38/70/1428173870.db2.gz HWYGFXWAELHFHT-UHFFFAOYSA-N 1 0 394.475 3.137 20 30 GGEDRO Cn1cc(C[NH2+]CCCNC(=O)c2cccc(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180192176 1429795285 /nfs/dbraw/zinc/79/52/85/1429795285.db2.gz HBNPQVCNMSYADT-UHFFFAOYSA-N 1 0 391.450 3.008 20 30 GGEDRO Cn1cc(C[NH2+]CCNC(=O)CC2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180210718 1429802701 /nfs/dbraw/zinc/80/27/01/1429802701.db2.gz OQDCNSKMANNGRG-UHFFFAOYSA-N 1 0 379.508 3.135 20 30 GGEDRO Cn1cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c(-c2ccc(C#N)cc2)n1 ZINC000180215382 1429803893 /nfs/dbraw/zinc/80/38/93/1429803893.db2.gz HABGAYVLLCNEFR-OAQYLSRUSA-N 1 0 382.414 3.234 20 30 GGEDRO C=CCOc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000180218389 1429805171 /nfs/dbraw/zinc/80/51/71/1429805171.db2.gz XXEFQZVGQUPJSR-UHFFFAOYSA-N 1 0 381.476 3.301 20 30 GGEDRO C=CCc1cc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc(OC)c1O ZINC000180220003 1429805661 /nfs/dbraw/zinc/80/56/61/1429805661.db2.gz RJNIWPROZBLZFX-OAHLLOKOSA-N 1 0 388.414 3.303 20 30 GGEDRO N#Cc1ccc(CSCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180229213 1429808675 /nfs/dbraw/zinc/80/86/75/1429808675.db2.gz XUPXUIUDMCITNP-UHFFFAOYSA-N 1 0 380.517 3.219 20 30 GGEDRO COc1cc(OC)cc(OCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180299515 1429829615 /nfs/dbraw/zinc/82/96/15/1429829615.db2.gz JZLJODCBDGWNIS-UHFFFAOYSA-N 1 0 392.459 3.145 20 30 GGEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1)C1CC1 ZINC000180308449 1429832169 /nfs/dbraw/zinc/83/21/69/1429832169.db2.gz ATMZMNYCWKHWHZ-DENIHFKCSA-N 1 0 381.451 3.344 20 30 GGEDRO COc1cc(C#N)ccc1OCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180314730 1429834183 /nfs/dbraw/zinc/83/41/83/1429834183.db2.gz QJWRDFUBNQYQHA-UHFFFAOYSA-N 1 0 379.460 3.223 20 30 GGEDRO C=C(Br)CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180316683 1429834835 /nfs/dbraw/zinc/83/48/35/1429834835.db2.gz HXCODVSQEQEDCP-UHFFFAOYSA-N 1 0 381.318 3.238 20 30 GGEDRO Cn1cc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180351913 1429843243 /nfs/dbraw/zinc/84/32/43/1429843243.db2.gz VYGURRCNDLFLJX-LJQANCHMSA-N 1 0 395.507 3.352 20 30 GGEDRO Cn1cc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180351899 1429843288 /nfs/dbraw/zinc/84/32/88/1429843288.db2.gz VYGURRCNDLFLJX-IBGZPJMESA-N 1 0 395.507 3.352 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000180411935 1429861474 /nfs/dbraw/zinc/86/14/74/1429861474.db2.gz IHMLWWYLXOKFNN-QZTJIDSGSA-N 1 0 399.535 3.349 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)CC1 ZINC000180479526 1429879317 /nfs/dbraw/zinc/87/93/17/1429879317.db2.gz WCMVWWQAYCUREU-UHFFFAOYSA-N 1 0 376.350 3.270 20 30 GGEDRO C=CCOc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000180486304 1429880552 /nfs/dbraw/zinc/88/05/52/1429880552.db2.gz QIUVURGPKGCIAL-OAQYLSRUSA-N 1 0 380.488 3.138 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180538722 1429893108 /nfs/dbraw/zinc/89/31/08/1429893108.db2.gz IOWZYTHBUAKQDW-MSOLQXFVSA-N 1 0 381.879 3.259 20 30 GGEDRO N#CCOc1ccc(/C=C/C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180551822 1429896163 /nfs/dbraw/zinc/89/61/63/1429896163.db2.gz DUWYDCCZGNTRES-ZZXKWVIFSA-N 1 0 376.460 3.030 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180601441 1429925365 /nfs/dbraw/zinc/92/53/65/1429925365.db2.gz ARRXWXPDVVHKFA-INIZCTEOSA-N 1 0 396.466 3.491 20 30 GGEDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654956 1429959379 /nfs/dbraw/zinc/95/93/79/1429959379.db2.gz ZHIGBSSURSGBOQ-NQIIRXRSSA-N 1 0 398.507 3.057 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000180716597 1429997707 /nfs/dbraw/zinc/99/77/07/1429997707.db2.gz GRPOKMFFDWFEAZ-MOPGFXCFSA-N 1 0 379.451 3.135 20 30 GGEDRO CC[NH+](CC)CCCC1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000180725729 1430002204 /nfs/dbraw/zinc/00/22/04/1430002204.db2.gz LFRBFKRDJGTZDI-NRFANRHFSA-N 1 0 396.535 3.024 20 30 GGEDRO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1 ZINC000180727086 1430002979 /nfs/dbraw/zinc/00/29/79/1430002979.db2.gz DJBLGQRNNWZMNH-UHFFFAOYSA-N 1 0 378.476 3.130 20 30 GGEDRO CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180869911 1430078519 /nfs/dbraw/zinc/07/85/19/1430078519.db2.gz WDFJWVCPTLIKIA-SKQREZPOSA-N 1 0 375.900 3.413 20 30 GGEDRO COc1cccc(C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2ccccc2)c1 ZINC000180877681 1430083614 /nfs/dbraw/zinc/08/36/14/1430083614.db2.gz LZMICMCZKJTYBT-LPNGOHTBSA-N 1 0 391.471 3.095 20 30 GGEDRO O=C(NCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21)C1N=CC=CC1=O ZINC000180880432 1430085404 /nfs/dbraw/zinc/08/54/04/1430085404.db2.gz RRDGUNLNISLABH-LTRYHMRKSA-N 1 0 396.274 3.323 20 30 GGEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000180880269 1430085624 /nfs/dbraw/zinc/08/56/24/1430085624.db2.gz SWNXCFCMQHXRES-NFFVOIMASA-N 1 0 382.508 3.244 20 30 GGEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000180880601 1430086300 /nfs/dbraw/zinc/08/63/00/1430086300.db2.gz XPEQGEJHRCZELU-DPPKGPFUSA-N 1 0 381.501 3.456 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1Cl ZINC000180948190 1430130010 /nfs/dbraw/zinc/13/00/10/1430130010.db2.gz CAIDQIKDLZUGRC-INIZCTEOSA-N 1 0 387.892 3.385 20 30 GGEDRO C=CCC[C@H](CC)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000180968643 1430142059 /nfs/dbraw/zinc/14/20/59/1430142059.db2.gz KXIKYVYIXNQXGU-INIZCTEOSA-N 1 0 396.553 3.191 20 30 GGEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000180972187 1430144298 /nfs/dbraw/zinc/14/42/98/1430144298.db2.gz GXNHIRATFABBGG-UHFFFAOYSA-N 1 0 387.530 3.216 20 30 GGEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000180975603 1430147158 /nfs/dbraw/zinc/14/71/58/1430147158.db2.gz BGTPCYYSGZMJRA-UHFFFAOYSA-N 1 0 387.530 3.216 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000181034519 1430178651 /nfs/dbraw/zinc/17/86/51/1430178651.db2.gz PSEUKPILNFAVQY-MRXNPFEDSA-N 1 0 394.922 3.398 20 30 GGEDRO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000181034759 1430178706 /nfs/dbraw/zinc/17/87/06/1430178706.db2.gz DNRCYTNTKXMFIT-UHFFFAOYSA-N 1 0 398.532 3.198 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000181035145 1430179726 /nfs/dbraw/zinc/17/97/26/1430179726.db2.gz OIPAHPMEUUVOPR-UHFFFAOYSA-N 1 0 398.532 3.198 20 30 GGEDRO C=CCNC(=O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000181127279 1430219234 /nfs/dbraw/zinc/21/92/34/1430219234.db2.gz GJLVDPQPUWBZBB-UHFFFAOYSA-N 1 0 375.812 3.432 20 30 GGEDRO CCc1nnc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(C#N)c1CC ZINC000181135256 1430221579 /nfs/dbraw/zinc/22/15/79/1430221579.db2.gz RUKFBUKJEOGACF-SFHVURJKSA-N 1 0 379.508 3.042 20 30 GGEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](C[C@H](O)COc4ccc(C#N)cc4)C3)nc2c1 ZINC000181157407 1430230898 /nfs/dbraw/zinc/23/08/98/1430230898.db2.gz RCSSPABXGACLQU-OALUTQOASA-N 1 0 390.487 3.362 20 30 GGEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@H](O)COc4ccc(C#N)cc4)C3)nc2c1 ZINC000181157383 1430231216 /nfs/dbraw/zinc/23/12/16/1430231216.db2.gz RCSSPABXGACLQU-MOPGFXCFSA-N 1 0 390.487 3.362 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC000181160332 1430232189 /nfs/dbraw/zinc/23/21/89/1430232189.db2.gz YCMTVKXXCCZOBZ-LBPRGKRZSA-N 1 0 387.450 3.073 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC000181160317 1430232393 /nfs/dbraw/zinc/23/23/93/1430232393.db2.gz YCMTVKXXCCZOBZ-GFCCVEGCSA-N 1 0 387.450 3.073 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181191186 1430243257 /nfs/dbraw/zinc/24/32/57/1430243257.db2.gz IZPIKQYVYWXEQH-RXVVDRJESA-N 1 0 384.501 3.089 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181191219 1430243802 /nfs/dbraw/zinc/24/38/02/1430243802.db2.gz IZPIKQYVYWXEQH-NQIIRXRSSA-N 1 0 384.501 3.089 20 30 GGEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000181214194 1430249210 /nfs/dbraw/zinc/24/92/10/1430249210.db2.gz DQILIFZTGLRRGH-CQSZACIVSA-N 1 0 396.434 3.316 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000181275768 1430261201 /nfs/dbraw/zinc/26/12/01/1430261201.db2.gz SLVROPLMTZNTQA-LSDHHAIUSA-N 1 0 378.432 3.193 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000181280113 1430261842 /nfs/dbraw/zinc/26/18/42/1430261842.db2.gz JXBOPEHKFMWWIQ-ZDUSSCGKSA-N 1 0 398.850 3.458 20 30 GGEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c(C#N)c1C ZINC000181288904 1430263960 /nfs/dbraw/zinc/26/39/60/1430263960.db2.gz QATDYHJKAQUIEA-CYBMUJFWSA-N 1 0 398.488 3.483 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181288615 1430264013 /nfs/dbraw/zinc/26/40/13/1430264013.db2.gz RZLPMGPOARLCAI-ZDUSSCGKSA-N 1 0 398.850 3.458 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H](O)C(F)(F)F ZINC000181293062 1430265061 /nfs/dbraw/zinc/26/50/61/1430265061.db2.gz DRRFUZKDWMDEKA-CQSZACIVSA-N 1 0 389.443 3.072 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c(C#N)c1C ZINC000181292517 1430265114 /nfs/dbraw/zinc/26/51/14/1430265114.db2.gz YBOPKRSXOJTWID-KGLIPLIRSA-N 1 0 396.447 3.403 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(COC)nn3C2)cc1 ZINC000181293673 1430265256 /nfs/dbraw/zinc/26/52/56/1430265256.db2.gz YNQKVSRJPFSQMT-HOCLYGCPSA-N 1 0 376.888 3.221 20 30 GGEDRO N#CCOc1ccc(CC(=O)O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCC4)C2)cc1 ZINC000181292855 1430265281 /nfs/dbraw/zinc/26/52/81/1430265281.db2.gz AHYJAQDQVFQDEB-HSZRJFAPSA-N 1 0 390.483 3.438 20 30 GGEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c(C#N)c1C ZINC000181292461 1430265292 /nfs/dbraw/zinc/26/52/92/1430265292.db2.gz YBOPKRSXOJTWID-UONOGXRCSA-N 1 0 396.447 3.403 20 30 GGEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)NC1(C#N)CCCCC1 ZINC000181306027 1430268648 /nfs/dbraw/zinc/26/86/48/1430268648.db2.gz YWZXZOYBGFDHLQ-HZPDHXFCSA-N 1 0 384.480 3.025 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(N2CCOC2=O)c1 ZINC000181313401 1430270421 /nfs/dbraw/zinc/27/04/21/1430270421.db2.gz RGLUUBBWPVEZCH-ZDUSSCGKSA-N 1 0 398.850 3.458 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c(C#N)c1C ZINC000181330018 1430274641 /nfs/dbraw/zinc/27/46/41/1430274641.db2.gz XHKYBOBLRPOIRH-KBPBESRZSA-N 1 0 396.447 3.403 20 30 GGEDRO COc1ccc(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181386205 1430286175 /nfs/dbraw/zinc/28/61/75/1430286175.db2.gz YBXNPGYOSBLMEB-UHFFFAOYSA-N 1 0 379.504 3.372 20 30 GGEDRO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181402357 1430289575 /nfs/dbraw/zinc/28/95/75/1430289575.db2.gz YSWGWINCXURXQN-JTSKRJEESA-N 1 0 383.467 3.452 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(N2CCCC2=O)c1 ZINC000181412202 1430291265 /nfs/dbraw/zinc/29/12/65/1430291265.db2.gz DZGZXKAZENMOSI-CVEARBPZSA-N 1 0 376.460 3.363 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000181420545 1430294167 /nfs/dbraw/zinc/29/41/67/1430294167.db2.gz QULQPYFMDRZEOI-INIZCTEOSA-N 1 0 376.460 3.364 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181447369 1430301683 /nfs/dbraw/zinc/30/16/83/1430301683.db2.gz MYZHUAFLBWUHBN-INIZCTEOSA-N 1 0 379.460 3.423 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181484779 1430308718 /nfs/dbraw/zinc/30/87/18/1430308718.db2.gz ALKIURKKMPGCGT-VQIMIIECSA-N 1 0 385.556 3.115 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181484755 1430308752 /nfs/dbraw/zinc/30/87/52/1430308752.db2.gz ALKIURKKMPGCGT-QFBILLFUSA-N 1 0 385.556 3.115 20 30 GGEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000181516872 1430313829 /nfs/dbraw/zinc/31/38/29/1430313829.db2.gz JWKZLQFNLVHDDG-DYESRHJHSA-N 1 0 394.560 3.104 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181519048 1430314095 /nfs/dbraw/zinc/31/40/95/1430314095.db2.gz YKBLWXHFYSYTAC-IEBWSBKVSA-N 1 0 399.535 3.495 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000181523757 1430315006 /nfs/dbraw/zinc/31/50/06/1430315006.db2.gz BJZWWACGJBFGAP-UHFFFAOYSA-N 1 0 389.547 3.172 20 30 GGEDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(OCC#N)cc1 ZINC000181577158 1430322506 /nfs/dbraw/zinc/32/25/06/1430322506.db2.gz IJCCYMPGTOJIIP-JTSKRJEESA-N 1 0 393.487 3.349 20 30 GGEDRO C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181592630 1430325051 /nfs/dbraw/zinc/32/50/51/1430325051.db2.gz QWPBUMPFHFBRQV-HTAPYJJXSA-N 1 0 383.467 3.452 20 30 GGEDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181635843 1430332306 /nfs/dbraw/zinc/33/23/06/1430332306.db2.gz VYSGDTDJKDQTIN-KRWDZBQOSA-N 1 0 377.488 3.451 20 30 GGEDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181635969 1430332446 /nfs/dbraw/zinc/33/24/46/1430332446.db2.gz XWKJVWSENCJWEX-KRWDZBQOSA-N 1 0 377.488 3.451 20 30 GGEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000181652438 1430335226 /nfs/dbraw/zinc/33/52/26/1430335226.db2.gz CGNCPEOTTLPHNG-UHFFFAOYSA-N 1 0 392.381 3.358 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CCCc3nnc4n3CCCCC4)CC2)cc1 ZINC000181668631 1430338531 /nfs/dbraw/zinc/33/85/31/1430338531.db2.gz XEZCSVSQBOYAJD-UHFFFAOYSA-N 1 0 392.551 3.063 20 30 GGEDRO CC(=O)Nc1ccc(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181682292 1430341007 /nfs/dbraw/zinc/34/10/07/1430341007.db2.gz PESNTSYONCWMPX-UHFFFAOYSA-N 1 0 376.504 3.313 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000181683157 1430341250 /nfs/dbraw/zinc/34/12/50/1430341250.db2.gz TVRAZDNRSZZDPI-OAQYLSRUSA-N 1 0 392.503 3.376 20 30 GGEDRO CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000181683132 1430341281 /nfs/dbraw/zinc/34/12/81/1430341281.db2.gz TVRAZDNRSZZDPI-NRFANRHFSA-N 1 0 392.503 3.376 20 30 GGEDRO N#CCC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000181700832 1430343874 /nfs/dbraw/zinc/34/38/74/1430343874.db2.gz IOAGDPREAIZFHV-VXKWHMMOSA-N 1 0 392.503 3.097 20 30 GGEDRO C[C@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181739214 1430350558 /nfs/dbraw/zinc/35/05/58/1430350558.db2.gz UXESAOVJLARYLB-SIKLNZKXSA-N 1 0 379.504 3.183 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]CCNC(=O)c3ccccc3Cl)CC2)cc1 ZINC000181747159 1430351925 /nfs/dbraw/zinc/35/19/25/1430351925.db2.gz RSIXITBWIVYUTM-UHFFFAOYSA-N 1 0 396.922 3.196 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000181757992 1430353637 /nfs/dbraw/zinc/35/36/37/1430353637.db2.gz WRNMFPDUERYVFE-QFIPXVFZSA-N 1 0 388.515 3.197 20 30 GGEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000181762524 1430354438 /nfs/dbraw/zinc/35/44/38/1430354438.db2.gz CDPOCZCRQWOFQZ-OAQYLSRUSA-N 1 0 382.552 3.154 20 30 GGEDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000181788028 1430360136 /nfs/dbraw/zinc/36/01/36/1430360136.db2.gz UZXKUKREZQUJQF-FZKQIMNGSA-N 1 0 388.851 3.398 20 30 GGEDRO C=CCOc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000181789580 1430360826 /nfs/dbraw/zinc/36/08/26/1430360826.db2.gz WJTYBUTXOIGKEX-FQEVSTJZSA-N 1 0 381.476 3.140 20 30 GGEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181804750 1430364149 /nfs/dbraw/zinc/36/41/49/1430364149.db2.gz PHCNSPVJCQZVHZ-SFHVURJKSA-N 1 0 392.503 3.106 20 30 GGEDRO CC(C)OCCN1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181851159 1430372248 /nfs/dbraw/zinc/37/22/48/1430372248.db2.gz RYFYKHUHCHCRHY-UHFFFAOYSA-N 1 0 384.568 3.002 20 30 GGEDRO COC(=O)c1ccc(F)c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181867155 1430374447 /nfs/dbraw/zinc/37/44/47/1430374447.db2.gz HTBIDHMKGONLIL-UHFFFAOYSA-N 1 0 381.451 3.192 20 30 GGEDRO COc1ccc(COCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181916789 1430382800 /nfs/dbraw/zinc/38/28/00/1430382800.db2.gz KBJKPGYEUUKYJB-UHFFFAOYSA-N 1 0 379.504 3.338 20 30 GGEDRO CC(=O)Nc1cccc(OCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181923723 1430383894 /nfs/dbraw/zinc/38/38/94/1430383894.db2.gz OURAPOKDEFMQHS-UHFFFAOYSA-N 1 0 392.503 3.150 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2C(=O)c2ccc(OC)cc2)CC1 ZINC000181957423 1430388141 /nfs/dbraw/zinc/38/81/41/1430388141.db2.gz KKDIHQFJVXEWHI-UHFFFAOYSA-N 1 0 378.472 3.306 20 30 GGEDRO N#CCCn1cc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000181959304 1430388569 /nfs/dbraw/zinc/38/85/69/1430388569.db2.gz FEZMFSVQVXQANI-HXUWFJFHSA-N 1 0 385.471 3.359 20 30 GGEDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000181968306 1430389908 /nfs/dbraw/zinc/38/99/08/1430389908.db2.gz JUVDEVONMSUURW-KKSFZXQISA-N 1 0 379.460 3.049 20 30 GGEDRO C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181978084 1430391199 /nfs/dbraw/zinc/39/11/99/1430391199.db2.gz AGWMLKIWGSWXOD-LJQANCHMSA-N 1 0 376.504 3.338 20 30 GGEDRO C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000181978028 1430391234 /nfs/dbraw/zinc/39/12/34/1430391234.db2.gz RBGOJYZGSUVCET-LJQANCHMSA-N 1 0 376.504 3.338 20 30 GGEDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000181988250 1430392565 /nfs/dbraw/zinc/39/25/65/1430392565.db2.gz QSEAKBKASGJNMF-QGZVFWFLSA-N 1 0 380.467 3.087 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000181988231 1430392710 /nfs/dbraw/zinc/39/27/10/1430392710.db2.gz QSEAKBKASGJNMF-KRWDZBQOSA-N 1 0 380.467 3.087 20 30 GGEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000181995741 1430393328 /nfs/dbraw/zinc/39/33/28/1430393328.db2.gz PQSIVFDKECQQBR-WZONZLPQSA-N 1 0 388.515 3.306 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000182024345 1430398148 /nfs/dbraw/zinc/39/81/48/1430398148.db2.gz ZTBWJJDZPOYFBL-UHFFFAOYSA-N 1 0 391.393 3.487 20 30 GGEDRO N#CCCN(C(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1)c1cccc(Cl)c1 ZINC000182043098 1430400902 /nfs/dbraw/zinc/40/09/02/1430400902.db2.gz XSHKNPPSBJRWOW-GOSISDBHSA-N 1 0 390.915 3.001 20 30 GGEDRO COc1ccc(CCNC(=[NH2+])NCc2ccccc2N2CCCCC2)cc1OC ZINC000182090032 1430409619 /nfs/dbraw/zinc/40/96/19/1430409619.db2.gz OPXDLVPUMYSIEA-UHFFFAOYSA-N 1 0 396.535 3.341 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccnc3OCC(F)F)CC2)cc1 ZINC000182093654 1430410407 /nfs/dbraw/zinc/41/04/07/1430410407.db2.gz INESFXYKFADZLB-UHFFFAOYSA-N 1 0 386.446 3.351 20 30 GGEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000182163164 1430422896 /nfs/dbraw/zinc/42/28/96/1430422896.db2.gz KMUPKPDBJDFDEL-GOSISDBHSA-N 1 0 381.476 3.437 20 30 GGEDRO C=C(C)C[NH+]1CCC(NCc2cn(-c3ccccc3)nc2C(=O)OCC)CC1 ZINC000182187612 1430426761 /nfs/dbraw/zinc/42/67/61/1430426761.db2.gz IMGAPOICMGVRBQ-UHFFFAOYSA-N 1 0 382.508 3.179 20 30 GGEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182296257 1430444300 /nfs/dbraw/zinc/44/43/00/1430444300.db2.gz BYXLDSMTCPNMMU-NRFANRHFSA-N 1 0 386.499 3.222 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(Cl)cc1 ZINC000182308273 1430446026 /nfs/dbraw/zinc/44/60/26/1430446026.db2.gz CSSZKMITPJXPKU-OALUTQOASA-N 1 0 376.932 3.073 20 30 GGEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CCCO1 ZINC000182352617 1430452526 /nfs/dbraw/zinc/45/25/26/1430452526.db2.gz DHTKTPWAJRCYRV-OALUTQOASA-N 1 0 384.480 3.104 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)CC1 ZINC000182356166 1430452941 /nfs/dbraw/zinc/45/29/41/1430452941.db2.gz FVGRHDXCXMBIKS-UHFFFAOYSA-N 1 0 392.503 3.301 20 30 GGEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2)CC1 ZINC000182371109 1430454631 /nfs/dbraw/zinc/45/46/31/1430454631.db2.gz BFHQXZYYWNNOLU-UHFFFAOYSA-N 1 0 392.503 3.301 20 30 GGEDRO C#CCOc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182373973 1430454843 /nfs/dbraw/zinc/45/48/43/1430454843.db2.gz NUVHGDKJOZGXMQ-UHFFFAOYSA-N 1 0 377.488 3.481 20 30 GGEDRO CC[NH+](CC)CCCC1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000182379033 1430455656 /nfs/dbraw/zinc/45/56/56/1430455656.db2.gz STWAPGNFPHJHKO-UHFFFAOYSA-N 1 0 377.554 3.389 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CCC(=O)N(CC)CC)CC2)CC1 ZINC000182517039 1430482217 /nfs/dbraw/zinc/48/22/17/1430482217.db2.gz JSPZSYNBJKUREB-UHFFFAOYSA-N 1 0 392.588 3.097 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000182530782 1430484275 /nfs/dbraw/zinc/48/42/75/1430484275.db2.gz RNYIDKUVVABGNC-GOSISDBHSA-N 1 0 397.441 3.439 20 30 GGEDRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000182544635 1430487642 /nfs/dbraw/zinc/48/76/42/1430487642.db2.gz XBTAAIZACJUKMJ-UHFFFAOYSA-N 1 0 390.553 3.309 20 30 GGEDRO CCCCN(C)C(=O)C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182664131 1430513015 /nfs/dbraw/zinc/51/30/15/1430513015.db2.gz YWAKIHBTVAKEQZ-OAQYLSRUSA-N 1 0 396.535 3.024 20 30 GGEDRO CC[N@H+](CCc1ccccc1)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182684288 1430516642 /nfs/dbraw/zinc/51/66/42/1430516642.db2.gz WDHIVBDKGOSTDB-FQEVSTJZSA-N 1 0 396.560 3.022 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H](N3CC[NH+](CC4CCCCC4)CC3)C2=O)cc1 ZINC000182697604 1430520399 /nfs/dbraw/zinc/52/03/99/1430520399.db2.gz BMPHSEZWYCAROW-QFIPXVFZSA-N 1 0 380.536 3.252 20 30 GGEDRO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182759944 1430535246 /nfs/dbraw/zinc/53/52/46/1430535246.db2.gz BVDRCODPBPMAFL-VQTJNVASSA-N 1 0 377.492 3.150 20 30 GGEDRO CC1CCC([NH+]2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000182792895 1430541194 /nfs/dbraw/zinc/54/11/94/1430541194.db2.gz MRCSILALTVOKFE-ZOGYUUGASA-N 1 0 380.536 3.250 20 30 GGEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182810628 1430544284 /nfs/dbraw/zinc/54/42/84/1430544284.db2.gz UWOBXFYGCHKWEO-OAHLLOKOSA-N 1 0 391.397 3.439 20 30 GGEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182809964 1430544382 /nfs/dbraw/zinc/54/43/82/1430544382.db2.gz LEUCJUACRHWMSE-MRXNPFEDSA-N 1 0 391.397 3.439 20 30 GGEDRO C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822841 1430547101 /nfs/dbraw/zinc/54/71/01/1430547101.db2.gz OXGXMXGTEZCULT-PKOBYXMFSA-N 1 0 396.535 3.436 20 30 GGEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182840487 1430551431 /nfs/dbraw/zinc/55/14/31/1430551431.db2.gz GTWBXRGTINJFAD-OAHLLOKOSA-N 1 0 394.397 3.498 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182890948 1430563699 /nfs/dbraw/zinc/56/36/99/1430563699.db2.gz YESXBJMHVOSCER-NQIIRXRSSA-N 1 0 398.551 3.369 20 30 GGEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000182892692 1430564036 /nfs/dbraw/zinc/56/40/36/1430564036.db2.gz UOOUDGAORYEVPK-OAQYLSRUSA-N 1 0 397.494 3.290 20 30 GGEDRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182924765 1430573155 /nfs/dbraw/zinc/57/31/55/1430573155.db2.gz XUVPUDUSESFJDL-UYAOXDASSA-N 1 0 383.492 3.109 20 30 GGEDRO C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(OCC#N)cc1 ZINC000183012989 1430592470 /nfs/dbraw/zinc/59/24/70/1430592470.db2.gz VHISMZPHMYLRQY-HRAATJIYSA-N 1 0 378.476 3.212 20 30 GGEDRO CC(C)[NH+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)C ZINC000183056059 1430601020 /nfs/dbraw/zinc/60/10/20/1430601020.db2.gz UQHFVBPQZJWPNW-KRWDZBQOSA-N 1 0 386.540 3.475 20 30 GGEDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000183062543 1430602940 /nfs/dbraw/zinc/60/29/40/1430602940.db2.gz ZWIHLBBGKFIBGN-BBWFWOEESA-N 1 0 386.540 3.380 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000183102392 1430613692 /nfs/dbraw/zinc/61/36/92/1430613692.db2.gz XNGGNCZFDGAARS-KRWDZBQOSA-N 1 0 393.487 3.434 20 30 GGEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccccc3O[C@H](C)C#N)CC2)c1 ZINC000183109289 1430615634 /nfs/dbraw/zinc/61/56/34/1430615634.db2.gz VSQAHODBIZXHBV-LJQANCHMSA-N 1 0 392.503 3.437 20 30 GGEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183182109 1430641660 /nfs/dbraw/zinc/64/16/60/1430641660.db2.gz KJUBUPMSKPTXJG-XWSJACJDSA-N 1 0 386.565 3.110 20 30 GGEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183185795 1430642288 /nfs/dbraw/zinc/64/22/88/1430642288.db2.gz WLNWQDQZCNFZSV-UHFFFAOYSA-N 1 0 394.397 3.498 20 30 GGEDRO COc1ccc(/C=C/C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1O ZINC000183336230 1430682155 /nfs/dbraw/zinc/68/21/55/1430682155.db2.gz OIHIOBQKPVRYGM-CSKARUKUSA-N 1 0 391.471 3.020 20 30 GGEDRO C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183401600 1430702183 /nfs/dbraw/zinc/70/21/83/1430702183.db2.gz NWXNOOSGTQFPBA-UHFFFAOYSA-N 1 0 391.924 3.354 20 30 GGEDRO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CC1 ZINC000183456515 1430716043 /nfs/dbraw/zinc/71/60/43/1430716043.db2.gz OEIDIAOCIVNUCY-HXUWFJFHSA-N 1 0 398.482 3.117 20 30 GGEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000183597968 1430750507 /nfs/dbraw/zinc/75/05/07/1430750507.db2.gz HRSCUJMQGCHUTO-IEBWSBKVSA-N 1 0 382.508 3.084 20 30 GGEDRO Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183644847 1430762655 /nfs/dbraw/zinc/76/26/55/1430762655.db2.gz VKMLXJZYGZUZEP-UHFFFAOYSA-N 1 0 391.924 3.273 20 30 GGEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(N4CCOC4=O)cc3)CC2)cc1 ZINC000183730158 1430782826 /nfs/dbraw/zinc/78/28/26/1430782826.db2.gz WEYVAMJRJLZRCG-UHFFFAOYSA-N 1 0 390.487 3.269 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1C ZINC000183867706 1430806669 /nfs/dbraw/zinc/80/66/69/1430806669.db2.gz BOZBTKWQEFWVAU-IBGZPJMESA-N 1 0 385.508 3.025 20 30 GGEDRO CC1([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)OCCO1 ZINC000183874967 1430807507 /nfs/dbraw/zinc/80/75/07/1430807507.db2.gz YGQOYIDHMPNNPF-HNNXBMFYSA-N 1 0 377.872 3.015 20 30 GGEDRO CC1([C@H]2CCC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)OCCO1 ZINC000183876060 1430807754 /nfs/dbraw/zinc/80/77/54/1430807754.db2.gz IMYYJIOYMLZRTH-KRWDZBQOSA-N 1 0 381.476 3.213 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000183885940 1430808947 /nfs/dbraw/zinc/80/89/47/1430808947.db2.gz UIBWMBXNUHAVDE-LJQANCHMSA-N 1 0 385.508 3.025 20 30 GGEDRO Cc1csc([C@H](C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000183920844 1430813535 /nfs/dbraw/zinc/81/35/35/1430813535.db2.gz GCATYIQNMJPSNY-MRXNPFEDSA-N 1 0 397.548 3.344 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1CN1CCNC1=O)C(C)C ZINC000183957280 1430818487 /nfs/dbraw/zinc/81/84/87/1430818487.db2.gz KZVDDHJXROUTPD-HXUWFJFHSA-N 1 0 399.539 3.032 20 30 GGEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000184031544 1430831806 /nfs/dbraw/zinc/83/18/06/1430831806.db2.gz QBVGQABRFJUEMT-HXUWFJFHSA-N 1 0 390.531 3.234 20 30 GGEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000184180274 1430851856 /nfs/dbraw/zinc/85/18/56/1430851856.db2.gz DQRVADPTXZJRBZ-UHFFFAOYSA-N 1 0 391.475 3.368 20 30 GGEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000184314477 1430872255 /nfs/dbraw/zinc/87/22/55/1430872255.db2.gz IRDCECMRDRUWSJ-INIZCTEOSA-N 1 0 388.537 3.461 20 30 GGEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184321542 1430872944 /nfs/dbraw/zinc/87/29/44/1430872944.db2.gz HNSUYOJEJFQHDW-IRXDYDNUSA-N 1 0 389.569 3.086 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184321600 1430872958 /nfs/dbraw/zinc/87/29/58/1430872958.db2.gz HNSUYOJEJFQHDW-IAGOWNOFSA-N 1 0 389.569 3.086 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184324053 1430873187 /nfs/dbraw/zinc/87/31/87/1430873187.db2.gz NOXDEKDITAALFN-DLBZAZTESA-N 1 0 389.569 3.228 20 30 GGEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000184334038 1430874446 /nfs/dbraw/zinc/87/44/46/1430874446.db2.gz ATVVQYPWFNZZJX-NRFANRHFSA-N 1 0 385.533 3.134 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1C[S@](C)=O)C(C)C ZINC000184342459 1430875549 /nfs/dbraw/zinc/87/55/49/1430875549.db2.gz UONNWRQGTWPVGO-SIBVEZHUSA-N 1 0 377.554 3.385 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(O)(c2ccccc2)CC1)C(C)C ZINC000184350059 1430876605 /nfs/dbraw/zinc/87/66/05/1430876605.db2.gz QZKHFAIWLPSPIV-OAQYLSRUSA-N 1 0 385.552 3.378 20 30 GGEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000184374302 1430879992 /nfs/dbraw/zinc/87/99/92/1430879992.db2.gz OAVBNODKDSIUGF-AEFFLSMTSA-N 1 0 384.549 3.244 20 30 GGEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000184374244 1430880071 /nfs/dbraw/zinc/88/00/71/1430880071.db2.gz OAVBNODKDSIUGF-FUHWJXTLSA-N 1 0 384.549 3.244 20 30 GGEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000184459758 1430890310 /nfs/dbraw/zinc/89/03/10/1430890310.db2.gz WAXDZRNHXZFDEV-HXUWFJFHSA-N 1 0 390.531 3.234 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000184590108 1430911352 /nfs/dbraw/zinc/91/13/52/1430911352.db2.gz TVSSUMQTZYSVGZ-LJQANCHMSA-N 1 0 377.916 3.463 20 30 GGEDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(C#N)ccc2OCCOC)c1 ZINC000184610193 1430918607 /nfs/dbraw/zinc/91/86/07/1430918607.db2.gz MWIPGHLUWRUOSV-UHFFFAOYSA-N 1 0 396.491 3.357 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000184617868 1430920989 /nfs/dbraw/zinc/92/09/89/1430920989.db2.gz JSHJSBXTPPUDBB-UHFFFAOYSA-N 1 0 388.512 3.169 20 30 GGEDRO CCO[C@H]1C[C@H](NC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C12CCOCC2 ZINC000184643946 1430928310 /nfs/dbraw/zinc/92/83/10/1430928310.db2.gz OTWFDHOVDBPZBF-GJZGRUSLSA-N 1 0 387.402 3.286 20 30 GGEDRO CCO[C@H]1C[C@@H](NC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C12CCOCC2 ZINC000184643981 1430928599 /nfs/dbraw/zinc/92/85/99/1430928599.db2.gz OTWFDHOVDBPZBF-CABCVRRESA-N 1 0 387.402 3.286 20 30 GGEDRO COc1ccc2c(c1)nc(CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)n2C ZINC000184657834 1430932477 /nfs/dbraw/zinc/93/24/77/1430932477.db2.gz NNQQFUSFHDKVOW-UHFFFAOYSA-N 1 0 393.369 3.407 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000184838532 1430999416 /nfs/dbraw/zinc/99/94/16/1430999416.db2.gz VUWHRLNUTXSFMM-QGZVFWFLSA-N 1 0 391.393 3.375 20 30 GGEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000184842000 1431000527 /nfs/dbraw/zinc/00/05/27/1431000527.db2.gz GCKGYQJBXNYLDJ-QFIPXVFZSA-N 1 0 379.504 3.404 20 30 GGEDRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccc(OCC#N)cc3)c2)CC1 ZINC000184913876 1431019806 /nfs/dbraw/zinc/01/98/06/1431019806.db2.gz VHXPZLXMKQVJOD-UHFFFAOYSA-N 1 0 393.491 3.053 20 30 GGEDRO C[NH+](C)CC1(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCCC1 ZINC000185057782 1431051082 /nfs/dbraw/zinc/05/10/82/1431051082.db2.gz CYFOSGWYGQVHFG-UHFFFAOYSA-N 1 0 399.539 3.064 20 30 GGEDRO C[NH+]1CCN(c2ncccc2CNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000185253723 1431094248 /nfs/dbraw/zinc/09/42/48/1431094248.db2.gz JAYVQQKHMIPRFC-UHFFFAOYSA-N 1 0 375.398 3.336 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)C1CC1 ZINC000185296227 1431103415 /nfs/dbraw/zinc/10/34/15/1431103415.db2.gz NNMQVHBDSDQFLW-QFIPXVFZSA-N 1 0 377.488 3.158 20 30 GGEDRO CC[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000185345863 1431121209 /nfs/dbraw/zinc/12/12/09/1431121209.db2.gz VEDLCYRMHUMVEO-OAQYLSRUSA-N 1 0 377.488 3.254 20 30 GGEDRO N#Cc1cc(Cl)ccc1CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000185375859 1431129509 /nfs/dbraw/zinc/12/95/09/1431129509.db2.gz WOAOJDRNSGOADQ-UHFFFAOYSA-N 1 0 384.867 3.010 20 30 GGEDRO C=CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000185383507 1431132355 /nfs/dbraw/zinc/13/23/55/1431132355.db2.gz FHBVYXUJJQMVNT-RTWAWAEBSA-N 1 0 376.566 3.320 20 30 GGEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000185391750 1431134648 /nfs/dbraw/zinc/13/46/48/1431134648.db2.gz UTBCDSQQWWNCHV-UHFFFAOYSA-N 1 0 395.956 3.488 20 30 GGEDRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)c2ccc(F)cc2)cn1 ZINC000185427656 1431143202 /nfs/dbraw/zinc/14/32/02/1431143202.db2.gz UUQNTWBQJKITBJ-SFHVURJKSA-N 1 0 383.452 3.200 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000185460887 1431150253 /nfs/dbraw/zinc/15/02/53/1431150253.db2.gz QHIAGOAAKSCUTC-HXUWFJFHSA-N 1 0 393.478 3.336 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000185475526 1431153404 /nfs/dbraw/zinc/15/34/04/1431153404.db2.gz KNGKOPSPZYDWFG-OXJNMPFZSA-N 1 0 393.478 3.336 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000185475489 1431153493 /nfs/dbraw/zinc/15/34/93/1431153493.db2.gz KNGKOPSPZYDWFG-OXQOHEQNSA-N 1 0 393.478 3.336 20 30 GGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000185606021 1431182048 /nfs/dbraw/zinc/18/20/48/1431182048.db2.gz GTNYBDUTEZMANO-FUHIMQAGSA-N 1 0 398.551 3.476 20 30 GGEDRO CCOc1cc(NC2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)ncn1 ZINC000185667175 1431200523 /nfs/dbraw/zinc/20/05/23/1431200523.db2.gz SMVVAHMUNZFVIV-MRXNPFEDSA-N 1 0 381.480 3.243 20 30 GGEDRO C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000185779509 1431233663 /nfs/dbraw/zinc/23/36/63/1431233663.db2.gz BOMADIBOMGDZGS-LJQANCHMSA-N 1 0 387.430 3.399 20 30 GGEDRO NC(=NOCc1ccc(C(F)F)cc1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000185790372 1431236874 /nfs/dbraw/zinc/23/68/74/1431236874.db2.gz OWRMRZLSQNVDSD-UHFFFAOYSA-N 1 0 389.446 3.418 20 30 GGEDRO C=C(C)[C@@H](NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000185833952 1431246685 /nfs/dbraw/zinc/24/66/85/1431246685.db2.gz NSELEZCBKVULTO-FOIQADDNSA-N 1 0 393.478 3.477 20 30 GGEDRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185843763 1431249797 /nfs/dbraw/zinc/24/97/97/1431249797.db2.gz ZTTXOADCDLPXEF-WBVHZDCISA-N 1 0 385.489 3.449 20 30 GGEDRO CSc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1[N+](=O)[O-] ZINC000186148882 1431341932 /nfs/dbraw/zinc/34/19/32/1431341932.db2.gz PWFYGMBNEFNMSC-UHFFFAOYSA-N 1 0 398.488 3.392 20 30 GGEDRO CC(C)C[C@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000186219287 1431355238 /nfs/dbraw/zinc/35/52/38/1431355238.db2.gz LDFNUVXBQRPTSL-NHCUHLMSSA-N 1 0 386.540 3.225 20 30 GGEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C#N)cc2C)C(C)C)cc1 ZINC000186224951 1431356590 /nfs/dbraw/zinc/35/65/90/1431356590.db2.gz BAGKAJPXPUCFEA-JOCHJYFZSA-N 1 0 395.503 3.475 20 30 GGEDRO CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186267575 1431366591 /nfs/dbraw/zinc/36/65/91/1431366591.db2.gz WPEMQSRQXZVSCL-FCHUYYIVSA-N 1 0 398.551 3.369 20 30 GGEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000186274503 1431368780 /nfs/dbraw/zinc/36/87/80/1431368780.db2.gz LUISPNUOVVSTFM-KRWDZBQOSA-N 1 0 386.492 3.410 20 30 GGEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCOc1ccccc1C#N ZINC000186303865 1431376474 /nfs/dbraw/zinc/37/64/74/1431376474.db2.gz LOKLBSFVFRPTCT-KRWDZBQOSA-N 1 0 399.516 3.170 20 30 GGEDRO CCN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186319906 1431381426 /nfs/dbraw/zinc/38/14/26/1431381426.db2.gz PGHLEXQYXRJTCX-NRFANRHFSA-N 1 0 377.488 3.254 20 30 GGEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000186320445 1431381447 /nfs/dbraw/zinc/38/14/47/1431381447.db2.gz OHUOSZSVIVHRFD-LJQANCHMSA-N 1 0 384.524 3.094 20 30 GGEDRO CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186322709 1431382399 /nfs/dbraw/zinc/38/23/99/1431382399.db2.gz MUDBKZULJUGXGF-NRFANRHFSA-N 1 0 377.488 3.254 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186372151 1431394839 /nfs/dbraw/zinc/39/48/39/1431394839.db2.gz FJMAUOGDNLHIQU-UHFFFAOYSA-N 1 0 395.887 3.103 20 30 GGEDRO COC(=O)N1CCC([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000186382158 1431397035 /nfs/dbraw/zinc/39/70/35/1431397035.db2.gz SWMHGEPKBHHRMR-CQSZACIVSA-N 1 0 384.398 3.393 20 30 GGEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ncccc1OCCCC#N ZINC000186449013 1431422453 /nfs/dbraw/zinc/42/24/53/1431422453.db2.gz ZOKAAYSHZOBKEP-QGZVFWFLSA-N 1 0 381.480 3.406 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+](C)C)cc1 ZINC000186447601 1431422603 /nfs/dbraw/zinc/42/26/03/1431422603.db2.gz HSMYRCSUTKZUTA-GOSISDBHSA-N 1 0 381.480 3.497 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(OC)c1 ZINC000186619887 1431471218 /nfs/dbraw/zinc/47/12/18/1431471218.db2.gz WUEWYFDZXRSFFU-GBXCKJPGSA-N 1 0 395.499 3.295 20 30 GGEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c(Cl)c1 ZINC000186638105 1431477298 /nfs/dbraw/zinc/47/72/98/1431477298.db2.gz NBZUQPLXCRINFP-INIZCTEOSA-N 1 0 387.892 3.385 20 30 GGEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000186673285 1431488598 /nfs/dbraw/zinc/48/85/98/1431488598.db2.gz LAWUGPHEURXBHK-MRXNPFEDSA-N 1 0 388.537 3.012 20 30 GGEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000186673266 1431488624 /nfs/dbraw/zinc/48/86/24/1431488624.db2.gz LAWUGPHEURXBHK-INIZCTEOSA-N 1 0 388.537 3.012 20 30 GGEDRO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000186678808 1431490162 /nfs/dbraw/zinc/49/01/62/1431490162.db2.gz WBVDLNXBAYPTPW-UHFFFAOYSA-N 1 0 390.959 3.272 20 30 GGEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CC[N@H+](C)C2CC2)c1C#N ZINC000186769671 1431511803 /nfs/dbraw/zinc/51/18/03/1431511803.db2.gz OVJDTUUUHOSVQL-UHFFFAOYSA-N 1 0 385.556 3.446 20 30 GGEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186837166 1431533059 /nfs/dbraw/zinc/53/30/59/1431533059.db2.gz SFGPADIPVKZHOR-INIZCTEOSA-N 1 0 391.512 3.059 20 30 GGEDRO C[C@@](O)(CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000186891596 1431556493 /nfs/dbraw/zinc/55/64/93/1431556493.db2.gz VWGIHUXZMOTVTH-GOSISDBHSA-N 1 0 381.398 3.287 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186933846 1431570095 /nfs/dbraw/zinc/57/00/95/1431570095.db2.gz HEDVPOCMQYEGNU-UHFFFAOYSA-N 1 0 387.480 3.157 20 30 GGEDRO COCCNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000186959681 1431576946 /nfs/dbraw/zinc/57/69/46/1431576946.db2.gz IIGDUWWNBOKSRX-UHFFFAOYSA-O 1 0 390.529 3.051 20 30 GGEDRO Cc1noc(C)c1C(=O)C(C(=S)NCCc1cccs1)[n+]1ccccc1 ZINC000186967761 1431579217 /nfs/dbraw/zinc/57/92/17/1431579217.db2.gz JACKAQZZOQEMTC-UHFFFAOYSA-O 1 0 386.522 3.412 20 30 GGEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(F)cc1)[n+]1cccc(CO)c1 ZINC000186971007 1431579880 /nfs/dbraw/zinc/57/98/80/1431579880.db2.gz KRJXWBZUYTXFAS-UHFFFAOYSA-O 1 0 375.489 3.323 20 30 GGEDRO CSc1ccccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000186973714 1431580497 /nfs/dbraw/zinc/58/04/97/1431580497.db2.gz VWOKEFWPGUWTHG-UHFFFAOYSA-N 1 0 389.546 3.033 20 30 GGEDRO CCC(C)(C)NC(=S)C(C(=O)c1cnn(C)c1)[n+]1ccc2c(c1)CCCC2 ZINC000186979533 1431581729 /nfs/dbraw/zinc/58/17/29/1431581729.db2.gz HJVJSSIWWMILBB-UHFFFAOYSA-O 1 0 385.557 3.303 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000187037956 1431597062 /nfs/dbraw/zinc/59/70/62/1431597062.db2.gz UEDGOVUDYWZRMH-UHFFFAOYSA-N 1 0 394.560 3.116 20 30 GGEDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000187046405 1431599054 /nfs/dbraw/zinc/59/90/54/1431599054.db2.gz AZYQMKPVALFUKJ-MOPGFXCFSA-N 1 0 395.507 3.256 20 30 GGEDRO CCCCCCCCNC(=[NH2+])NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000187046465 1431599088 /nfs/dbraw/zinc/59/90/88/1431599088.db2.gz WPFMYUZFVQBVAY-UHFFFAOYSA-N 1 0 398.548 3.130 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCCc2ccc(OCC(F)(F)F)nc2)cc1OC ZINC000187048950 1431599952 /nfs/dbraw/zinc/59/99/52/1431599952.db2.gz IEJBOYLXPMVXCD-UHFFFAOYSA-N 1 0 398.385 3.009 20 30 GGEDRO CSc1ccccc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000187088012 1431611008 /nfs/dbraw/zinc/61/10/08/1431611008.db2.gz OJMZKHUTJKWVNE-UHFFFAOYSA-N 1 0 389.546 3.033 20 30 GGEDRO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000187092477 1431612432 /nfs/dbraw/zinc/61/24/32/1431612432.db2.gz NUMIJMKBPDROQS-UHFFFAOYSA-N 1 0 382.439 3.446 20 30 GGEDRO C#CCOc1ccccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000187163535 1431635232 /nfs/dbraw/zinc/63/52/32/1431635232.db2.gz DNIXDDZIECWEBO-UHFFFAOYSA-N 1 0 377.488 3.481 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187238713 1431661151 /nfs/dbraw/zinc/66/11/51/1431661151.db2.gz BMEQLXNFNUYQGB-VGOFRKELSA-N 1 0 381.524 3.154 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC1(O)CCCCCC1 ZINC000187333487 1431700118 /nfs/dbraw/zinc/70/01/18/1431700118.db2.gz OJIYMVLCMOBUSS-SFHVURJKSA-N 1 0 387.524 3.347 20 30 GGEDRO C=CCC[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000187376475 1431713330 /nfs/dbraw/zinc/71/33/30/1431713330.db2.gz TYDRBKCICZOZEN-VJBWXMMDSA-N 1 0 378.516 3.488 20 30 GGEDRO C=C(C)[C@H](NC(=O)NCCCC[NH+]1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000187523371 1431755692 /nfs/dbraw/zinc/75/56/92/1431755692.db2.gz VFEHCJNASBFDKX-FQEVSTJZSA-N 1 0 394.510 3.299 20 30 GGEDRO COc1cc(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc(OC)c1OC ZINC000187724770 1431804141 /nfs/dbraw/zinc/80/41/41/1431804141.db2.gz NLVCRFZNGGYJFJ-MRXNPFEDSA-N 1 0 381.476 3.467 20 30 GGEDRO COc1cc(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc(OC)c1OC ZINC000187724754 1431804259 /nfs/dbraw/zinc/80/42/59/1431804259.db2.gz NLVCRFZNGGYJFJ-INIZCTEOSA-N 1 0 381.476 3.467 20 30 GGEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187771362 1431810439 /nfs/dbraw/zinc/81/04/39/1431810439.db2.gz HDRSVFXZUMKUJG-RTBURBONSA-N 1 0 381.444 3.309 20 30 GGEDRO C=C(C)[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187771302 1431810514 /nfs/dbraw/zinc/81/05/14/1431810514.db2.gz HDRSVFXZUMKUJG-OALUTQOASA-N 1 0 381.444 3.309 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(OCC#N)cc1)C1CC1 ZINC000187780097 1431811645 /nfs/dbraw/zinc/81/16/45/1431811645.db2.gz QNRUDBBEGUFXDU-QFIPXVFZSA-N 1 0 392.503 3.299 20 30 GGEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(SCC#N)c1 ZINC000188158246 1431854406 /nfs/dbraw/zinc/85/44/06/1431854406.db2.gz YWJNDTHWVBIPQJ-QFIPXVFZSA-N 1 0 395.528 3.011 20 30 GGEDRO C=CC[C@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000188173526 1431856487 /nfs/dbraw/zinc/85/64/87/1431856487.db2.gz SDWUNMUUYMKNAH-UPVQGACJSA-N 1 0 378.516 3.442 20 30 GGEDRO C=CC[C@H](C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000188173503 1431856515 /nfs/dbraw/zinc/85/65/15/1431856515.db2.gz SDWUNMUUYMKNAH-LADGPHEKSA-N 1 0 378.516 3.442 20 30 GGEDRO C=CC[C@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000188274315 1431868463 /nfs/dbraw/zinc/86/84/63/1431868463.db2.gz UUTTWTXTVBRASF-QHCPKHFHSA-N 1 0 377.532 3.410 20 30 GGEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1ccco1 ZINC000188282727 1431869371 /nfs/dbraw/zinc/86/93/71/1431869371.db2.gz BGDXBOOWGMGXSF-UHFFFAOYSA-N 1 0 375.542 3.232 20 30 GGEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000188387166 1431879854 /nfs/dbraw/zinc/87/98/54/1431879854.db2.gz AQTCPWVSHAHJNH-NRFANRHFSA-N 1 0 398.894 3.312 20 30 GGEDRO CC(=O)Nc1ccc(C)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000188403653 1431881342 /nfs/dbraw/zinc/88/13/42/1431881342.db2.gz IHJAJUGUGHCJHQ-UHFFFAOYSA-N 1 0 378.476 3.029 20 30 GGEDRO C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000188431844 1431883743 /nfs/dbraw/zinc/88/37/43/1431883743.db2.gz NAHURIOCZLKQEL-VGOFRKELSA-N 1 0 391.531 3.374 20 30 GGEDRO C[C@@H](c1nnnn1C1CCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000188563293 1431895436 /nfs/dbraw/zinc/89/54/36/1431895436.db2.gz IZYOERDRMUJYJN-SFHVURJKSA-N 1 0 393.539 3.319 20 30 GGEDRO C=CC[C@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000188593178 1431898345 /nfs/dbraw/zinc/89/83/45/1431898345.db2.gz FLMAQKYVGKQQPJ-NRFANRHFSA-N 1 0 399.579 3.289 20 30 GGEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188752435 1431957876 /nfs/dbraw/zinc/95/78/76/1431957876.db2.gz GBNSNQCOZNCJJM-INIZCTEOSA-N 1 0 394.475 3.136 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc(-c4ccccc4F)no3)CC2)cc1 ZINC000188933148 1432011744 /nfs/dbraw/zinc/01/17/44/1432011744.db2.gz HKBXNUHYRKYODE-UHFFFAOYSA-N 1 0 391.450 3.455 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cccc(F)c3C#N)cc2)C[C@H](C)O1 ZINC000188999839 1432024616 /nfs/dbraw/zinc/02/46/16/1432024616.db2.gz UQYAJCBODUMHIE-IYBDPMFKSA-N 1 0 381.451 3.237 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCN2CCc3ccccc3C2=O)c(-c2ccccc2)n1 ZINC000189040176 1432032595 /nfs/dbraw/zinc/03/25/95/1432032595.db2.gz HSWMJMJQQSGHJF-UHFFFAOYSA-N 1 0 399.498 3.252 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000189137241 1432050983 /nfs/dbraw/zinc/05/09/83/1432050983.db2.gz GFTBUEHZLLDFHA-QGZVFWFLSA-N 1 0 384.524 3.398 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC([C@H]3CCCO3)CC2)c(OC)c1 ZINC000189169979 1432056897 /nfs/dbraw/zinc/05/68/97/1432056897.db2.gz KEFPOHYVEDGHSD-VQTJNVASSA-N 1 0 375.509 3.054 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC([C@H]3CCCO3)CC2)c(OC)c1 ZINC000189169957 1432057116 /nfs/dbraw/zinc/05/71/16/1432057116.db2.gz KEFPOHYVEDGHSD-WOJBJXKFSA-N 1 0 375.509 3.054 20 30 GGEDRO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000189222636 1432066175 /nfs/dbraw/zinc/06/61/75/1432066175.db2.gz HIFRCPFCEOMPDO-LJQANCHMSA-N 1 0 394.437 3.064 20 30 GGEDRO N#Cc1ccc(CSc2ccccc2C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000189433026 1432109647 /nfs/dbraw/zinc/10/96/47/1432109647.db2.gz WHFMCCJHXLQFBK-UHFFFAOYSA-N 1 0 395.528 3.303 20 30 GGEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000189522272 1432147232 /nfs/dbraw/zinc/14/72/32/1432147232.db2.gz SWRBICYPPCHCBV-MSOLQXFVSA-N 1 0 383.521 3.336 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000189549141 1432156430 /nfs/dbraw/zinc/15/64/30/1432156430.db2.gz SDFWJZDPZLVUNN-UHFFFAOYSA-N 1 0 390.405 3.353 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189564593 1432160374 /nfs/dbraw/zinc/16/03/74/1432160374.db2.gz QLWJHJJWFKQZAA-XMSQKQJNSA-N 1 0 389.499 3.118 20 30 GGEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(C)c1 ZINC000189597097 1432171025 /nfs/dbraw/zinc/17/10/25/1432171025.db2.gz OIVRGJNYAREZAF-QFIPXVFZSA-N 1 0 395.478 3.474 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000189692998 1432206231 /nfs/dbraw/zinc/20/62/31/1432206231.db2.gz ZOOGULQSYVDRBD-OAQYLSRUSA-N 1 0 376.504 3.476 20 30 GGEDRO C=CCN(CCOC)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000189712005 1432211669 /nfs/dbraw/zinc/21/16/69/1432211669.db2.gz VMPZOJUSBAVJBT-QAPCUYQASA-N 1 0 383.895 3.316 20 30 GGEDRO C=CCC[C@H](NS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C)c1ccccc1 ZINC000189748688 1432222952 /nfs/dbraw/zinc/22/29/52/1432222952.db2.gz GJUXDNYXXSITOO-IBGZPJMESA-N 1 0 390.553 3.047 20 30 GGEDRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000189809384 1432241111 /nfs/dbraw/zinc/24/11/11/1432241111.db2.gz YPZXZNICFWMOIZ-UHFFFAOYSA-N 1 0 394.475 3.089 20 30 GGEDRO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189966688 1432291750 /nfs/dbraw/zinc/29/17/50/1432291750.db2.gz CQJNUEIIXLLEOZ-UHFFFAOYSA-N 1 0 387.405 3.485 20 30 GGEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@]1(CO)C[C@H](OCC)C1(C)C ZINC000189979526 1432296504 /nfs/dbraw/zinc/29/65/04/1432296504.db2.gz YFQUBZKBWPUEJN-FXAWDEMLSA-N 1 0 378.538 3.059 20 30 GGEDRO C#CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000189983328 1432299816 /nfs/dbraw/zinc/29/98/16/1432299816.db2.gz QVVKACQWVHZKIG-SFHVURJKSA-N 1 0 398.528 3.432 20 30 GGEDRO CC(C)(C)n1nccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000190411168 1432376232 /nfs/dbraw/zinc/37/62/32/1432376232.db2.gz HINUUGLVRCSTTH-UHFFFAOYSA-N 1 0 380.496 3.250 20 30 GGEDRO C#Cc1cccc(NC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)c1 ZINC000190598200 1432416107 /nfs/dbraw/zinc/41/61/07/1432416107.db2.gz KTKOYHRYWSUNKD-UHFFFAOYSA-N 1 0 391.471 3.028 20 30 GGEDRO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190603698 1432417445 /nfs/dbraw/zinc/41/74/45/1432417445.db2.gz UPEYICGJYGPFFP-VGSWGCGISA-N 1 0 377.488 3.279 20 30 GGEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000190613727 1432420656 /nfs/dbraw/zinc/42/06/56/1432420656.db2.gz UMJBVIJIUKDVSZ-VGSWGCGISA-N 1 0 385.471 3.196 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000190613670 1432420884 /nfs/dbraw/zinc/42/08/84/1432420884.db2.gz UMJBVIJIUKDVSZ-HTAPYJJXSA-N 1 0 385.471 3.196 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cnn(Cc2ccccc2)c1 ZINC000190618974 1432422821 /nfs/dbraw/zinc/42/28/21/1432422821.db2.gz STRKJBPLIMLEJV-WZONZLPQSA-N 1 0 399.498 3.255 20 30 GGEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C12CCCCC2 ZINC000190625402 1432424360 /nfs/dbraw/zinc/42/43/60/1432424360.db2.gz LFHIOGVJDZCNDO-QHAWAJNXSA-N 1 0 381.520 3.377 20 30 GGEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000190632839 1432426714 /nfs/dbraw/zinc/42/67/14/1432426714.db2.gz ISCOCNDXJZBJSJ-YWZLYKJASA-N 1 0 379.460 3.027 20 30 GGEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 ZINC000190631948 1432426921 /nfs/dbraw/zinc/42/69/21/1432426921.db2.gz MDAHNUCBGZOVFD-YWZLYKJASA-N 1 0 379.460 3.027 20 30 GGEDRO C[C@H]1CN([C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)c2c(F)cccc2Cl)CCO1 ZINC000190770347 1432472560 /nfs/dbraw/zinc/47/25/60/1432472560.db2.gz OJPCEBVXPRVQAN-LIRRHRJNSA-N 1 0 390.890 3.241 20 30 GGEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F ZINC000190837823 1432501580 /nfs/dbraw/zinc/50/15/80/1432501580.db2.gz XIJPGOGRGPISMX-IIBYNOLFSA-N 1 0 395.478 3.275 20 30 GGEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F ZINC000190837809 1432501833 /nfs/dbraw/zinc/50/18/33/1432501833.db2.gz XIJPGOGRGPISMX-HRAATJIYSA-N 1 0 395.478 3.275 20 30 GGEDRO CCC[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000190921981 1432530035 /nfs/dbraw/zinc/53/00/35/1432530035.db2.gz TXWCAKLTYUSPGS-OAQYLSRUSA-N 1 0 379.508 3.394 20 30 GGEDRO C=CCN(CCOC)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000191110181 1432569825 /nfs/dbraw/zinc/56/98/25/1432569825.db2.gz PXJOGTMZCBILBF-UHFFFAOYSA-N 1 0 380.492 3.098 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)c(O)c1 ZINC000191161001 1432579342 /nfs/dbraw/zinc/57/93/42/1432579342.db2.gz QPWHHGJVJQRSAV-UHFFFAOYSA-N 1 0 391.393 3.487 20 30 GGEDRO Cn1cc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc1C#N ZINC000191315563 1432630049 /nfs/dbraw/zinc/63/00/49/1432630049.db2.gz HABTWAGXMRLQHR-ZDUSSCGKSA-N 1 0 383.805 3.332 20 30 GGEDRO Cn1cc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)cc1C#N ZINC000191564952 1432684179 /nfs/dbraw/zinc/68/41/79/1432684179.db2.gz XHNOJOVBUMBODJ-GOSISDBHSA-N 1 0 390.409 3.196 20 30 GGEDRO COC(=O)[C@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000191579700 1432686924 /nfs/dbraw/zinc/68/69/24/1432686924.db2.gz KTQKXDYWLPNTIB-HSZRJFAPSA-N 1 0 388.471 3.179 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3ccncc3)CC2)c(OC)c1 ZINC000191629263 1432695846 /nfs/dbraw/zinc/69/58/46/1432695846.db2.gz YBFCFASDFLQLGR-OAQYLSRUSA-N 1 0 382.504 3.438 20 30 GGEDRO C#CCOc1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000191686838 1432706342 /nfs/dbraw/zinc/70/63/42/1432706342.db2.gz KSCXEVVLDPAKCY-UHFFFAOYSA-N 1 0 396.438 3.281 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@@H](C)Cc2ccccc2)c1 ZINC000191699818 1432708941 /nfs/dbraw/zinc/70/89/41/1432708941.db2.gz PFONPWKBEUANHX-KRWDZBQOSA-O 1 0 393.536 3.176 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@H](C)Cc2ccccc2)c1 ZINC000191699833 1432708963 /nfs/dbraw/zinc/70/89/63/1432708963.db2.gz PFONPWKBEUANHX-QGZVFWFLSA-O 1 0 393.536 3.176 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2cnn(C)c2)C(=S)N[C@@H](C)Cc2ccccc2)cc1 ZINC000191697904 1432709029 /nfs/dbraw/zinc/70/90/29/1432709029.db2.gz AYTIQVSYYBLLRQ-KRWDZBQOSA-O 1 0 393.536 3.176 20 30 GGEDRO COc1ccc(CN2CCSC[C@@H]2c2cnn(C)c2)cc1OCCCC#N ZINC000191744618 1432716660 /nfs/dbraw/zinc/71/66/60/1432716660.db2.gz OTMXGRVPRTXZHD-GOSISDBHSA-N 1 0 386.521 3.401 20 30 GGEDRO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191877347 1432745192 /nfs/dbraw/zinc/74/51/92/1432745192.db2.gz KUIFCEVYPSGZSW-HXUWFJFHSA-N 1 0 378.476 3.279 20 30 GGEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191910876 1432753752 /nfs/dbraw/zinc/75/37/52/1432753752.db2.gz CPYLFMPMKPNMSP-IBGZPJMESA-N 1 0 382.439 3.110 20 30 GGEDRO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(C#N)c(F)c1 ZINC000191916475 1432755340 /nfs/dbraw/zinc/75/53/40/1432755340.db2.gz GQPMSQFCKCLAGL-IBGZPJMESA-N 1 0 398.434 3.377 20 30 GGEDRO C#CCCCC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000191927200 1432757416 /nfs/dbraw/zinc/75/74/16/1432757416.db2.gz KKOIJRZYEXGLBL-UHFFFAOYSA-N 1 0 381.442 3.137 20 30 GGEDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000191976433 1432773462 /nfs/dbraw/zinc/77/34/62/1432773462.db2.gz JKEQDWYGTOJWNS-UHFFFAOYSA-N 1 0 399.516 3.246 20 30 GGEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000192044024 1432785435 /nfs/dbraw/zinc/78/54/35/1432785435.db2.gz JDWHGOGWUIXFIM-OALUTQOASA-N 1 0 390.892 3.105 20 30 GGEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000192044011 1432785442 /nfs/dbraw/zinc/78/54/42/1432785442.db2.gz JDWHGOGWUIXFIM-RBUKOAKNSA-N 1 0 390.892 3.105 20 30 GGEDRO CN(C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C1(C#N)CCCCC1 ZINC000192057954 1432789527 /nfs/dbraw/zinc/78/95/27/1432789527.db2.gz BIGBWRICONTKFC-MJGOQNOKSA-N 1 0 375.900 3.444 20 30 GGEDRO CN(C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C1(C#N)CCCCC1 ZINC000192057947 1432789549 /nfs/dbraw/zinc/78/95/49/1432789549.db2.gz BIGBWRICONTKFC-PKOBYXMFSA-N 1 0 375.900 3.444 20 30 GGEDRO CN(C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)C1(C#N)CCCCC1 ZINC000192057961 1432789592 /nfs/dbraw/zinc/78/95/92/1432789592.db2.gz BIGBWRICONTKFC-HKUYNNGSSA-N 1 0 375.900 3.444 20 30 GGEDRO N#CC1(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCCCC1 ZINC000192086504 1432795426 /nfs/dbraw/zinc/79/54/26/1432795426.db2.gz TYNUSBOZYMKBMF-SJLPKXTDSA-N 1 0 379.863 3.241 20 30 GGEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000192126270 1432802475 /nfs/dbraw/zinc/80/24/75/1432802475.db2.gz URFOZCUMHZYHNL-UZCIPKQKSA-N 1 0 389.402 3.493 20 30 GGEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192133702 1432804085 /nfs/dbraw/zinc/80/40/85/1432804085.db2.gz CYFTXZNEOSSOBB-WBVHZDCISA-N 1 0 377.416 3.346 20 30 GGEDRO CN(C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C1(C#N)CCCCC1 ZINC000192139396 1432805279 /nfs/dbraw/zinc/80/52/79/1432805279.db2.gz MNEYMDLCHMNSKL-PKOBYXMFSA-N 1 0 377.435 3.069 20 30 GGEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(C[NH+](C)C)ccc3C)CC2)o1 ZINC000192228404 1432819859 /nfs/dbraw/zinc/81/98/59/1432819859.db2.gz OTORTPNSEAFRIP-UHFFFAOYSA-N 1 0 381.480 3.080 20 30 GGEDRO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc(Cl)c1OC ZINC000192242169 1432821425 /nfs/dbraw/zinc/82/14/25/1432821425.db2.gz HRTQNACJEWDAOX-GOSISDBHSA-N 1 0 399.878 3.120 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000192243439 1432821691 /nfs/dbraw/zinc/82/16/91/1432821691.db2.gz ZIGNYBJBHOHRAR-GOSISDBHSA-N 1 0 389.377 3.348 20 30 GGEDRO CC(C)COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192244270 1432821771 /nfs/dbraw/zinc/82/17/71/1432821771.db2.gz FEEGQIQEIJVSKE-QFIPXVFZSA-N 1 0 377.488 3.484 20 30 GGEDRO CC(C)COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192244264 1432821797 /nfs/dbraw/zinc/82/17/97/1432821797.db2.gz FEEGQIQEIJVSKE-JOCHJYFZSA-N 1 0 377.488 3.484 20 30 GGEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(OCC(F)F)cc3)C2=O)cc1 ZINC000192243286 1432821850 /nfs/dbraw/zinc/82/18/50/1432821850.db2.gz SSZLYCZWLKVERD-LJQANCHMSA-N 1 0 385.414 3.093 20 30 GGEDRO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000192243923 1432821898 /nfs/dbraw/zinc/82/18/98/1432821898.db2.gz RPXHEISGPMWENC-HXUWFJFHSA-N 1 0 393.487 3.245 20 30 GGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000192244357 1432821908 /nfs/dbraw/zinc/82/19/08/1432821908.db2.gz PFDVZUCJSGBXKA-HXUWFJFHSA-N 1 0 391.471 3.022 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192357061 1432836267 /nfs/dbraw/zinc/83/62/67/1432836267.db2.gz VKRGTMWBQMNMKH-WMZHIEFXSA-N 1 0 379.504 3.358 20 30 GGEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192360882 1432837117 /nfs/dbraw/zinc/83/71/17/1432837117.db2.gz XGKMLGNXLWFFFZ-LJQANCHMSA-N 1 0 387.443 3.055 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)CC1 ZINC000192444067 1432845269 /nfs/dbraw/zinc/84/52/69/1432845269.db2.gz KDGGRWMRAUIADW-UHFFFAOYSA-N 1 0 391.943 3.374 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000192530382 1432855648 /nfs/dbraw/zinc/85/56/48/1432855648.db2.gz FLPHDCZZIOPAIV-JOCHJYFZSA-N 1 0 394.515 3.003 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cccc(CC#N)c2)c1 ZINC000192570936 1432861480 /nfs/dbraw/zinc/86/14/80/1432861480.db2.gz XRSIJYCYHYYBAB-UHFFFAOYSA-N 1 0 378.476 3.077 20 30 GGEDRO COC(=O)[C@H](C)[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000192687402 1432875437 /nfs/dbraw/zinc/87/54/37/1432875437.db2.gz PTJZKVADJYWYIK-HBGVWJBISA-N 1 0 391.471 3.194 20 30 GGEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)C2=O)cc1 ZINC000192710207 1432878290 /nfs/dbraw/zinc/87/82/90/1432878290.db2.gz VNSPBRXZKHCBJJ-AABGKKOBSA-N 1 0 385.533 3.040 20 30 GGEDRO C[C@@H](CCO)[N@H+](Cc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192720291 1432879865 /nfs/dbraw/zinc/87/98/65/1432879865.db2.gz SLHGWRRMQUJTPV-PGRDOPGGSA-N 1 0 377.488 3.327 20 30 GGEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)NC(=O)OC(C)(C)C ZINC000192956345 1432912826 /nfs/dbraw/zinc/91/28/26/1432912826.db2.gz CCGBZIOFMUBVAQ-MRXNPFEDSA-N 1 0 383.496 3.467 20 30 GGEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192984208 1432917093 /nfs/dbraw/zinc/91/70/93/1432917093.db2.gz MXMVYDIWBQQPMJ-MRXNPFEDSA-N 1 0 389.908 3.012 20 30 GGEDRO N#CC(CC[NH+]1CCC(N2CCNC2=O)CC1)(c1ccccc1)c1ccccc1 ZINC000193044525 1432926946 /nfs/dbraw/zinc/92/69/46/1432926946.db2.gz SMOCCTKAVJTFRX-UHFFFAOYSA-N 1 0 388.515 3.376 20 30 GGEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193087346 1432934078 /nfs/dbraw/zinc/93/40/78/1432934078.db2.gz IBRVEVKCUDTXBO-QGZVFWFLSA-N 1 0 384.524 3.055 20 30 GGEDRO COc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+](C)C)cc1OC ZINC000193103616 1432936194 /nfs/dbraw/zinc/93/61/94/1432936194.db2.gz QTSQQSQMUDLSOO-IBGZPJMESA-N 1 0 396.491 3.020 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2ncsc2c1)C(C)C ZINC000193107469 1432936930 /nfs/dbraw/zinc/93/69/30/1432936930.db2.gz FLXUOZAXWQDLHX-KRWDZBQOSA-N 1 0 386.521 3.050 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000193192326 1432954868 /nfs/dbraw/zinc/95/48/68/1432954868.db2.gz KRMSTGXJBGDVGP-OAHLLOKOSA-N 1 0 392.525 3.231 20 30 GGEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)C1CCCC1 ZINC000193194437 1432955545 /nfs/dbraw/zinc/95/55/45/1432955545.db2.gz UDTCTCJPODBLHG-QGZVFWFLSA-N 1 0 392.544 3.002 20 30 GGEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000193239218 1432965194 /nfs/dbraw/zinc/96/51/94/1432965194.db2.gz OAVWVAQUCSOLFI-SFHVURJKSA-N 1 0 385.895 3.164 20 30 GGEDRO Cc1nc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)ccc1C#N ZINC000193334650 1432981330 /nfs/dbraw/zinc/98/13/30/1432981330.db2.gz DNURVVBVFZRNLA-UHFFFAOYSA-N 1 0 391.475 3.329 20 30 GGEDRO C=CCn1c(-c2ccccc2F)nn(CN2CC[NH+](CC3CC3)CC2)c1=S ZINC000193427193 1432996594 /nfs/dbraw/zinc/99/65/94/1432996594.db2.gz NTZOBKSBRMFREB-UHFFFAOYSA-N 1 0 387.528 3.391 20 30 GGEDRO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000193508470 1433011226 /nfs/dbraw/zinc/01/12/26/1433011226.db2.gz IPIGCPWMERHZGS-IRXDYDNUSA-N 1 0 378.476 3.218 20 30 GGEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000193592729 1433025434 /nfs/dbraw/zinc/02/54/34/1433025434.db2.gz RIUXBKOZUDITDS-UHFFFAOYSA-N 1 0 384.524 3.495 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000193751644 1433052022 /nfs/dbraw/zinc/05/20/22/1433052022.db2.gz DLLOJFCQLBKJIU-LJQANCHMSA-N 1 0 392.503 3.246 20 30 GGEDRO N#Cc1ccc(CSCC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000193832428 1433068526 /nfs/dbraw/zinc/06/85/26/1433068526.db2.gz BIRBJYXRJGKGAA-OAQYLSRUSA-N 1 0 379.529 3.430 20 30 GGEDRO N#CCCCOc1cccnc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193880644 1433077462 /nfs/dbraw/zinc/07/74/62/1433077462.db2.gz CHJHVMDUSANFRX-LJQANCHMSA-N 1 0 393.491 3.408 20 30 GGEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2OCC#N)CC1 ZINC000194105806 1433118666 /nfs/dbraw/zinc/11/86/66/1433118666.db2.gz QLVDHTYIXCTKGT-UHFFFAOYSA-N 1 0 384.867 3.246 20 30 GGEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccccc1OCC#N)c1ccccc1O2 ZINC000194332662 1433162923 /nfs/dbraw/zinc/16/29/23/1433162923.db2.gz OQDKBKAYCDVNIE-IBGZPJMESA-N 1 0 391.471 3.307 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000194856619 1433249563 /nfs/dbraw/zinc/24/95/63/1433249563.db2.gz KFYZGKAHXWEKGC-HDICACEKSA-N 1 0 377.488 3.026 20 30 GGEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000194895018 1433259398 /nfs/dbraw/zinc/25/93/98/1433259398.db2.gz LVBPHGDXYLNQSB-LAUBAEHRSA-N 1 0 378.476 3.086 20 30 GGEDRO CCC1CC(=O)C(=CNc2ccc(C(=O)NCC[NH+](CC)CC)cc2)C(=O)C1 ZINC000194958502 1433272358 /nfs/dbraw/zinc/27/23/58/1433272358.db2.gz FYQIMASLRBXXCV-UHFFFAOYSA-N 1 0 385.508 3.012 20 30 GGEDRO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194961316 1433273058 /nfs/dbraw/zinc/27/30/58/1433273058.db2.gz NSISRNGWIBSDKW-OAQYLSRUSA-N 1 0 394.471 3.174 20 30 GGEDRO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000194970302 1433274537 /nfs/dbraw/zinc/27/45/37/1433274537.db2.gz UJBXWXRPUTXIDK-SFTDATJTSA-N 1 0 375.472 3.335 20 30 GGEDRO COCC[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000195036166 1433284074 /nfs/dbraw/zinc/28/40/74/1433284074.db2.gz CJRBQSMPFGTOHQ-UHFFFAOYSA-N 1 0 377.488 3.319 20 30 GGEDRO C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)NC(=O)OC(C)(C)C ZINC000195292358 1433315870 /nfs/dbraw/zinc/31/58/70/1433315870.db2.gz FLYSGNRWKZLCRC-SNVBAGLBSA-N 1 0 376.379 3.225 20 30 GGEDRO C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)NC(=O)OC(C)(C)C ZINC000195292490 1433315944 /nfs/dbraw/zinc/31/59/44/1433315944.db2.gz CJGBSIGBQCLAPX-SNVBAGLBSA-N 1 0 376.379 3.225 20 30 GGEDRO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)NC(=O)OC(C)(C)C ZINC000195292479 1433315961 /nfs/dbraw/zinc/31/59/61/1433315961.db2.gz CJGBSIGBQCLAPX-JTQLQIEISA-N 1 0 376.379 3.225 20 30 GGEDRO C=CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC(OCC)C2)cc1Cl ZINC000195460757 1433332656 /nfs/dbraw/zinc/33/26/56/1433332656.db2.gz VCSYBPBJFYYMOS-UHFFFAOYSA-N 1 0 394.943 3.264 20 30 GGEDRO C[N@H+](CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000195614335 1433341989 /nfs/dbraw/zinc/34/19/89/1433341989.db2.gz URUHFTDTHQXBOW-UHFFFAOYSA-N 1 0 389.421 3.488 20 30 GGEDRO CCN1C[C@@H](C[N@H+](C)CCC(=O)Nc2ccccc2C#N)Oc2ccccc21 ZINC000198392257 1433349710 /nfs/dbraw/zinc/34/97/10/1433349710.db2.gz ANOSMWYNOOCSMK-GOSISDBHSA-N 1 0 378.476 3.106 20 30 GGEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000216166898 1433363002 /nfs/dbraw/zinc/36/30/02/1433363002.db2.gz ATPQRLUWZCBNBE-KRWDZBQOSA-N 1 0 393.553 3.086 20 30 GGEDRO C=CCOc1ccc(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)cc1 ZINC000236681506 1433376062 /nfs/dbraw/zinc/37/60/62/1433376062.db2.gz MOOJRCZGFOSQJV-UHFFFAOYSA-N 1 0 380.444 3.413 20 30 GGEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000237308017 1433396525 /nfs/dbraw/zinc/39/65/25/1433396525.db2.gz GVIXYEYTEBRPEB-NRFANRHFSA-N 1 0 394.515 3.470 20 30 GGEDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cn2)CCO1 ZINC000237446240 1433403607 /nfs/dbraw/zinc/40/36/07/1433403607.db2.gz NLWPHHHDGREQHN-GOSISDBHSA-N 1 0 380.492 3.279 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000237491110 1433405880 /nfs/dbraw/zinc/40/58/80/1433405880.db2.gz BJEKZSWSLUWQQQ-JTSKRJEESA-N 1 0 383.467 3.280 20 30 GGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000237496164 1433406281 /nfs/dbraw/zinc/40/62/81/1433406281.db2.gz LNIYEQQTHLZKOT-JTSKRJEESA-N 1 0 393.487 3.176 20 30 GGEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000237530743 1433407994 /nfs/dbraw/zinc/40/79/94/1433407994.db2.gz KRDQQCJEZODLGF-CQSZACIVSA-N 1 0 376.298 3.392 20 30 GGEDRO Cc1ccc([C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)N2CCOCC2)o1 ZINC000237634218 1433414039 /nfs/dbraw/zinc/41/40/39/1433414039.db2.gz CQMJNKWZAZOLSK-NRFANRHFSA-N 1 0 383.492 3.434 20 30 GGEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c1 ZINC000237824642 1433426589 /nfs/dbraw/zinc/42/65/89/1433426589.db2.gz FGZVWSMJZBELHK-UHFFFAOYSA-N 1 0 379.504 3.491 20 30 GGEDRO Cc1ccc([C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)N2CCOCC2)o1 ZINC000237886882 1433431564 /nfs/dbraw/zinc/43/15/64/1433431564.db2.gz CQMJNKWZAZOLSK-OAQYLSRUSA-N 1 0 383.492 3.434 20 30 GGEDRO C#CCOc1ccc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000238044174 1433440873 /nfs/dbraw/zinc/44/08/73/1433440873.db2.gz AEZRVWOFAYZLRA-KRWDZBQOSA-N 1 0 379.378 3.247 20 30 GGEDRO C#CCOc1ccccc1C[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000238054639 1433441131 /nfs/dbraw/zinc/44/11/31/1433441131.db2.gz BYOPQNRWMCNAFQ-KRWDZBQOSA-N 1 0 379.378 3.247 20 30 GGEDRO C#CCOc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1 ZINC000238140338 1433444319 /nfs/dbraw/zinc/44/43/19/1433444319.db2.gz WKYXNPUJLXDGBB-QGZVFWFLSA-N 1 0 379.378 3.247 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C)O1 ZINC000245199236 1433453811 /nfs/dbraw/zinc/45/38/11/1433453811.db2.gz CJAZARCYOKEMIM-SOLBZPMBSA-N 1 0 387.528 3.220 20 30 GGEDRO C[C@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245201355 1433454745 /nfs/dbraw/zinc/45/47/45/1433454745.db2.gz HQWUOULFYQHYLO-KZNAEPCWSA-N 1 0 391.519 3.016 20 30 GGEDRO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000245391930 1433458765 /nfs/dbraw/zinc/45/87/65/1433458765.db2.gz SDSQMOAHPMYSCL-WOJBJXKFSA-N 1 0 398.551 3.259 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3CCCOC3)sc2C1 ZINC000245419530 1433464053 /nfs/dbraw/zinc/46/40/53/1433464053.db2.gz AWRXBVMVBCFROH-LSDHHAIUSA-N 1 0 375.538 3.432 20 30 GGEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245437563 1433467545 /nfs/dbraw/zinc/46/75/45/1433467545.db2.gz DWDXILPHXSGMJH-PZJWPPBQSA-N 1 0 382.552 3.171 20 30 GGEDRO N#C[C@@H](NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000245461605 1433473047 /nfs/dbraw/zinc/47/30/47/1433473047.db2.gz NEXNGEWVHLDIIS-YLJYHZDGSA-N 1 0 383.879 3.312 20 30 GGEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245513834 1433479970 /nfs/dbraw/zinc/47/99/70/1433479970.db2.gz AZVXMCUCXXQKII-DSKINZAPSA-N 1 0 396.535 3.070 20 30 GGEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000245542865 1433483140 /nfs/dbraw/zinc/48/31/40/1433483140.db2.gz KJGYREBNTPAKOC-YLJYHZDGSA-N 1 0 398.507 3.039 20 30 GGEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCCC[C@H]1O ZINC000245552418 1433483997 /nfs/dbraw/zinc/48/39/97/1433483997.db2.gz QKXHTSRSYJGIIX-RHSMWYFYSA-N 1 0 375.538 3.310 20 30 GGEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3ccccc3C#N)ccc2NC1=O ZINC000245586086 1433488064 /nfs/dbraw/zinc/48/80/64/1433488064.db2.gz AISRXKNGLBGBAY-LPMFXHHGSA-N 1 0 392.459 3.346 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000245699607 1433502316 /nfs/dbraw/zinc/50/23/16/1433502316.db2.gz YYAUBPQQLAKJOH-SFTDATJTSA-N 1 0 393.487 3.142 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000245778117 1433516468 /nfs/dbraw/zinc/51/64/68/1433516468.db2.gz HGYBOMXUSNPIEF-IAGOWNOFSA-N 1 0 377.916 3.439 20 30 GGEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245868105 1433530182 /nfs/dbraw/zinc/53/01/82/1433530182.db2.gz KJUBUPMSKPTXJG-YDZRNGNQSA-N 1 0 386.565 3.110 20 30 GGEDRO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245900153 1433537913 /nfs/dbraw/zinc/53/79/13/1433537913.db2.gz RYGZZKLJGLFLKX-PGRDOPGGSA-N 1 0 394.494 3.228 20 30 GGEDRO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245952740 1433550339 /nfs/dbraw/zinc/55/03/39/1433550339.db2.gz BKIQORNNSKDKHU-CEXWTWQISA-N 1 0 377.271 3.489 20 30 GGEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 ZINC000246095152 1433567932 /nfs/dbraw/zinc/56/79/32/1433567932.db2.gz HONIXJBPCCLYKD-RBBKRZOGSA-N 1 0 392.455 3.127 20 30 GGEDRO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000246165286 1433576929 /nfs/dbraw/zinc/57/69/29/1433576929.db2.gz MFBLTDJBIGOOSQ-XLIONFOSSA-N 1 0 391.496 3.304 20 30 GGEDRO C[C@H]1CN([C@H](C[NH2+]Cc2ccc(C#N)o2)c2c(F)cccc2Cl)CCO1 ZINC000246188306 1433579782 /nfs/dbraw/zinc/57/97/82/1433579782.db2.gz NWOXEQPCUPXCTK-SCLBCKFNSA-N 1 0 377.847 3.495 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000246224343 1433583921 /nfs/dbraw/zinc/58/39/21/1433583921.db2.gz VQFITTGERBCISJ-JKSUJKDBSA-N 1 0 395.956 3.487 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000246299283 1433591564 /nfs/dbraw/zinc/59/15/64/1433591564.db2.gz WGRMUKCCORFPRQ-MSOLQXFVSA-N 1 0 386.565 3.437 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000246378301 1433603475 /nfs/dbraw/zinc/60/34/75/1433603475.db2.gz MOJGWELZTHTKAP-JKSUJKDBSA-N 1 0 395.956 3.487 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3CCC[C@@H]3O)sc2C1 ZINC000246390895 1433605874 /nfs/dbraw/zinc/60/58/74/1433605874.db2.gz HNDAGVFKCNBCPM-CPUCHLNUSA-N 1 0 375.538 3.166 20 30 GGEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3CCC[C@H]3O)sc2C1 ZINC000246390905 1433605970 /nfs/dbraw/zinc/60/59/70/1433605970.db2.gz HNDAGVFKCNBCPM-JKIFEVAISA-N 1 0 375.538 3.166 20 30 GGEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246406950 1433608345 /nfs/dbraw/zinc/60/83/45/1433608345.db2.gz JUBYWCOZWRHLSL-ICSRJNTNSA-N 1 0 394.544 3.179 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1C#N ZINC000246414384 1433609085 /nfs/dbraw/zinc/60/90/85/1433609085.db2.gz IDOMIYBFKJVHTF-OXJNMPFZSA-N 1 0 398.482 3.136 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)c1C#N ZINC000246414394 1433609138 /nfs/dbraw/zinc/60/91/38/1433609138.db2.gz IDOMIYBFKJVHTF-OXQOHEQNSA-N 1 0 398.482 3.136 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1C#N ZINC000246489072 1433620194 /nfs/dbraw/zinc/62/01/94/1433620194.db2.gz AORZUGPEZNEQCS-IFXJQAMLSA-N 1 0 398.482 3.279 20 30 GGEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246493241 1433620458 /nfs/dbraw/zinc/62/04/58/1433620458.db2.gz PMDKGZIWGQBFLR-JZXOWHBKSA-N 1 0 388.537 3.265 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246538437 1433627367 /nfs/dbraw/zinc/62/73/67/1433627367.db2.gz JSJQOPFTCBUGOF-ZRGWGRIASA-N 1 0 398.576 3.384 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246538424 1433627430 /nfs/dbraw/zinc/62/74/30/1433627430.db2.gz JSJQOPFTCBUGOF-VCBZYWHSSA-N 1 0 398.576 3.384 20 30 GGEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246538412 1433627594 /nfs/dbraw/zinc/62/75/94/1433627594.db2.gz JSJQOPFTCBUGOF-CLCXKQKWSA-N 1 0 398.576 3.384 20 30 GGEDRO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246543641 1433628375 /nfs/dbraw/zinc/62/83/75/1433628375.db2.gz QLDHVOJIASTUAE-FXAWDEMLSA-N 1 0 383.517 3.198 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246697719 1433651503 /nfs/dbraw/zinc/65/15/03/1433651503.db2.gz DOCXQRZOUVRKLK-FXAWDEMLSA-N 1 0 389.565 3.045 20 30 GGEDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000246722803 1433655552 /nfs/dbraw/zinc/65/55/52/1433655552.db2.gz KNWMTYYGKWHYAI-LSDHHAIUSA-N 1 0 375.538 3.432 20 30 GGEDRO COc1cc(N[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000246768441 1433662509 /nfs/dbraw/zinc/66/25/09/1433662509.db2.gz QJHHABNSQFQRDS-XMSQKQJNSA-N 1 0 381.476 3.185 20 30 GGEDRO CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000246789968 1433667165 /nfs/dbraw/zinc/66/71/65/1433667165.db2.gz PKORVZJBMQNACN-NHCUHLMSSA-N 1 0 383.540 3.359 20 30 GGEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246790887 1433667198 /nfs/dbraw/zinc/66/71/98/1433667198.db2.gz MIRLTXZTQOZXLF-KNKQGSTJSA-N 1 0 380.536 3.270 20 30 GGEDRO C=CCn1c(-c2ccccn2)nn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1=S ZINC000246804267 1433670436 /nfs/dbraw/zinc/67/04/36/1433670436.db2.gz AFGFAAMUXPUMOO-FUHWJXTLSA-N 1 0 384.553 3.036 20 30 GGEDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)C1(C#N)CCCCC1 ZINC000247232577 1433693952 /nfs/dbraw/zinc/69/39/52/1433693952.db2.gz SFCUDNLGZJEZJM-IAGOWNOFSA-N 1 0 375.538 3.321 20 30 GGEDRO CCCCOc1ccc(CN2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC ZINC000247263357 1433697988 /nfs/dbraw/zinc/69/79/88/1433697988.db2.gz XTCUKSMXVPEXHT-QGZVFWFLSA-N 1 0 395.507 3.246 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(SCC#N)c2)[C@@H](C)C1 ZINC000247277341 1433699439 /nfs/dbraw/zinc/69/94/39/1433699439.db2.gz XARKFTJTOXCASC-LPHOPBHVSA-N 1 0 375.538 3.169 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)C(C)C ZINC000247313515 1433704306 /nfs/dbraw/zinc/70/43/06/1433704306.db2.gz FYHJEVLAXJNTJU-GGPKGHCWSA-N 1 0 381.586 3.039 20 30 GGEDRO C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000247319677 1433705548 /nfs/dbraw/zinc/70/55/48/1433705548.db2.gz WBGUXHFRPLQCHA-CRAIPNDOSA-N 1 0 386.565 3.243 20 30 GGEDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000247319684 1433705657 /nfs/dbraw/zinc/70/56/57/1433705657.db2.gz WBGUXHFRPLQCHA-MAUKXSAKSA-N 1 0 386.565 3.243 20 30 GGEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247359448 1433712929 /nfs/dbraw/zinc/71/29/29/1433712929.db2.gz YQTDITZQAPDTPU-JAXLGGSGSA-N 1 0 382.552 3.355 20 30 GGEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247401620 1433716486 /nfs/dbraw/zinc/71/64/86/1433716486.db2.gz RKUSDEIDITVZLD-UXHICEINSA-N 1 0 392.503 3.077 20 30 GGEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000247446394 1433724055 /nfs/dbraw/zinc/72/40/55/1433724055.db2.gz YFHWUKGEWFCNMJ-GJZGRUSLSA-N 1 0 385.899 3.227 20 30 GGEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000247642777 1433741988 /nfs/dbraw/zinc/74/19/88/1433741988.db2.gz VVIURDPEJAKFGB-YRWFTTLQSA-N 1 0 380.496 3.075 20 30 GGEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 ZINC000247881091 1433754778 /nfs/dbraw/zinc/75/47/78/1433754778.db2.gz JBXOFDRRNNDOLH-UHFFFAOYSA-N 1 0 377.488 3.234 20 30 GGEDRO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000247887838 1433755141 /nfs/dbraw/zinc/75/51/41/1433755141.db2.gz UKDZKUHWIDHGFW-HSZRJFAPSA-N 1 0 393.531 3.123 20 30 GGEDRO Cc1ccccc1CN(C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000248026833 1433764120 /nfs/dbraw/zinc/76/41/20/1433764120.db2.gz GZUDSXLNIMKCCU-UHFFFAOYSA-N 1 0 390.531 3.033 20 30 GGEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000248078913 1433768397 /nfs/dbraw/zinc/76/83/97/1433768397.db2.gz IFDKUOMZXGMZGR-QFIPXVFZSA-N 1 0 393.535 3.300 20 30 GGEDRO N#CCC[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248439353 1433802761 /nfs/dbraw/zinc/80/27/61/1433802761.db2.gz IOAGDPREAIZFHV-FGZHOGPDSA-N 1 0 392.503 3.097 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000248507206 1433806392 /nfs/dbraw/zinc/80/63/92/1433806392.db2.gz YJURIXUQONWOAC-DOTOQJQBSA-N 1 0 395.956 3.487 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c(OC)c1 ZINC000248595302 1433810193 /nfs/dbraw/zinc/81/01/93/1433810193.db2.gz MGKMXRKTNGEWKX-HQRMLTQVSA-N 1 0 383.488 3.318 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c(OC)c1 ZINC000248595304 1433810253 /nfs/dbraw/zinc/81/02/53/1433810253.db2.gz MGKMXRKTNGEWKX-POAQFYNOSA-N 1 0 383.488 3.318 20 30 GGEDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000248619706 1433811721 /nfs/dbraw/zinc/81/17/21/1433811721.db2.gz ZWIHLBBGKFIBGN-GVDBMIGSSA-N 1 0 386.540 3.380 20 30 GGEDRO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000248687287 1433815316 /nfs/dbraw/zinc/81/53/16/1433815316.db2.gz AMINCHRBJIIZQV-XMSQKQJNSA-N 1 0 385.508 3.233 20 30 GGEDRO C[C@H](CCO)[N@H+](Cc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248770094 1433821435 /nfs/dbraw/zinc/82/14/35/1433821435.db2.gz SLHGWRRMQUJTPV-GCJKJVERSA-N 1 0 377.488 3.327 20 30 GGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248905093 1433828788 /nfs/dbraw/zinc/82/87/88/1433828788.db2.gz YTHJPDLWLOJXKR-FGTMMUONSA-N 1 0 398.551 3.334 20 30 GGEDRO CCOC(=O)c1ccc(N2CCC[N@@H+]([C@H](C)c3cccc(C#N)c3)CC2)nc1 ZINC000248936353 1433829914 /nfs/dbraw/zinc/82/99/14/1433829914.db2.gz NFJJUCVTLPZWQM-QGZVFWFLSA-N 1 0 378.476 3.403 20 30 GGEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000249053202 1433833258 /nfs/dbraw/zinc/83/32/58/1433833258.db2.gz OLCDFXPNXXSPKA-SXSPYAJSSA-N 1 0 388.515 3.084 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000249059641 1433833489 /nfs/dbraw/zinc/83/34/89/1433833489.db2.gz GFDFJRIQSSENKM-KSSFIOAISA-N 1 0 381.467 3.069 20 30 GGEDRO C[C@H](O)C[N@@H+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000249219006 1433839166 /nfs/dbraw/zinc/83/91/66/1433839166.db2.gz FRHAKYGQNYPOFH-SFTDATJTSA-N 1 0 377.532 3.273 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249323815 1433841363 /nfs/dbraw/zinc/84/13/63/1433841363.db2.gz GOMRKJKWXQZOSV-HZPDHXFCSA-N 1 0 390.553 3.247 20 30 GGEDRO C=CC[C@@H](C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000249517466 1433845987 /nfs/dbraw/zinc/84/59/87/1433845987.db2.gz SDWUNMUUYMKNAH-ISKFKSNPSA-N 1 0 378.516 3.442 20 30 GGEDRO CN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249727647 1433850018 /nfs/dbraw/zinc/85/00/18/1433850018.db2.gz QXOTWOAWVJFLER-IEBWSBKVSA-N 1 0 390.270 3.394 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c(OC)c1 ZINC000249870260 1433853315 /nfs/dbraw/zinc/85/33/15/1433853315.db2.gz JPCIGHQYFJXYEI-QZTJIDSGSA-N 1 0 388.533 3.500 20 30 GGEDRO CN(CCC#N)c1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000250071664 1433854024 /nfs/dbraw/zinc/85/40/24/1433854024.db2.gz NZJWABHXVKGPGI-DEOSSOPVSA-N 1 0 392.547 3.105 20 30 GGEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000250118444 1433854581 /nfs/dbraw/zinc/85/45/81/1433854581.db2.gz PJNCFNITAGKSEK-IFMALSPDSA-N 1 0 384.451 3.118 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000250200352 1433854998 /nfs/dbraw/zinc/85/49/98/1433854998.db2.gz CFDJIOOVMDFEIH-UPVQGACJSA-N 1 0 394.515 3.462 20 30 GGEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000250415589 1433855995 /nfs/dbraw/zinc/85/59/95/1433855995.db2.gz AAAXUPIEVNJQKV-WOJBJXKFSA-N 1 0 398.551 3.259 20 30 GGEDRO CC(C)CN(CC(C)C)C(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000250607998 1433856965 /nfs/dbraw/zinc/85/69/65/1433856965.db2.gz XNHIWVWBEYKYJM-UHFFFAOYSA-N 1 0 375.513 3.014 20 30 GGEDRO C=CCN(CCOC)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000250978368 1433857559 /nfs/dbraw/zinc/85/75/59/1433857559.db2.gz VMPZOJUSBAVJBT-CRAIPNDOSA-N 1 0 383.895 3.316 20 30 GGEDRO Cc1cc(Cl)ccc1NC(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000251062154 1433857722 /nfs/dbraw/zinc/85/77/22/1433857722.db2.gz YSPAVLYZMPVXIM-UHFFFAOYSA-N 1 0 387.867 3.474 20 30 GGEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c(OC)c1 ZINC000253188437 1433865132 /nfs/dbraw/zinc/86/51/32/1433865132.db2.gz GCPFODXNBVEQKY-VAMGGRTRSA-N 1 0 385.508 3.133 20 30 GGEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CSc2nc(C)cc(N)n2)c1C#N ZINC000253478288 1433867838 /nfs/dbraw/zinc/86/78/38/1433867838.db2.gz KFHCHWIMMOMVIS-UHFFFAOYSA-N 1 0 392.488 3.377 20 30 GGEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCN(c3ccccc3OC)C2=O)c(O)c1 ZINC000254915031 1433872415 /nfs/dbraw/zinc/87/24/15/1433872415.db2.gz RYMDHOHRJRFVJJ-JYBCESJWSA-N 1 0 381.476 3.471 20 30 GGEDRO CCN(C(=O)[C@@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000254935777 1433872580 /nfs/dbraw/zinc/87/25/80/1433872580.db2.gz FXDZZHCRTZMZLF-GOSISDBHSA-N 1 0 381.476 3.315 20 30 GGEDRO CON=Cc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000254943836 1433872711 /nfs/dbraw/zinc/87/27/11/1433872711.db2.gz WOMKCYCOVOERNW-NRFANRHFSA-N 1 0 381.476 3.242 20 30 GGEDRO CN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000255130629 1433877202 /nfs/dbraw/zinc/87/72/02/1433877202.db2.gz UEZRLEAXMMPAOW-MLDHBFCZSA-N 1 0 394.563 3.367 20 30 GGEDRO O=C1[C@@H](O[NH+]=Cc2ccc(N3CCOCC3)cc2)CCCN1c1ccccc1F ZINC000255194232 1433878252 /nfs/dbraw/zinc/87/82/52/1433878252.db2.gz RFLJCNQIMUQWRV-NRFANRHFSA-N 1 0 397.450 3.208 20 30 GGEDRO O=C1[C@H](O[NH+]=Cc2ccc(N3CCOCC3)cc2)CCCN1c1ccccc1F ZINC000255194238 1433878254 /nfs/dbraw/zinc/87/82/54/1433878254.db2.gz RFLJCNQIMUQWRV-OAQYLSRUSA-N 1 0 397.450 3.208 20 30 GGEDRO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)C1CC1 ZINC000255288174 1433879278 /nfs/dbraw/zinc/87/92/78/1433879278.db2.gz AKPLRPMMCCCORZ-UHFFFAOYSA-N 1 0 393.487 3.065 20 30 GGEDRO COc1cccc(C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)c2ccccc2)c1 ZINC000255366326 1433881275 /nfs/dbraw/zinc/88/12/75/1433881275.db2.gz LZMICMCZKJTYBT-QAHCAUCSSA-N 1 0 391.471 3.095 20 30 GGEDRO C[C@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000255381527 1433881881 /nfs/dbraw/zinc/88/18/81/1433881881.db2.gz HDXQTVBBMPMPPE-MSOLQXFVSA-N 1 0 393.487 3.240 20 30 GGEDRO C[C@@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000255381529 1433881883 /nfs/dbraw/zinc/88/18/83/1433881883.db2.gz HDXQTVBBMPMPPE-QZTJIDSGSA-N 1 0 393.487 3.240 20 30 GGEDRO N#Cc1ccccc1/C=C\C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000255520260 1433884292 /nfs/dbraw/zinc/88/42/92/1433884292.db2.gz XZWWHWBWYAKLSV-SEYXRHQNSA-N 1 0 388.515 3.290 20 30 GGEDRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255566950 1433885348 /nfs/dbraw/zinc/88/53/48/1433885348.db2.gz FIZPAMAEVHBDJF-KRWDZBQOSA-N 1 0 399.466 3.232 20 30 GGEDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255566951 1433885399 /nfs/dbraw/zinc/88/53/99/1433885399.db2.gz FIZPAMAEVHBDJF-QGZVFWFLSA-N 1 0 399.466 3.232 20 30 GGEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255710745 1433888158 /nfs/dbraw/zinc/88/81/58/1433888158.db2.gz LMPDILUTVULDCQ-MOPGFXCFSA-N 1 0 395.503 3.448 20 30 GGEDRO C[NH+]=C(NCc1ccccc1OC(F)F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261643609 1433898174 /nfs/dbraw/zinc/89/81/74/1433898174.db2.gz DMZBVLQHRURVPT-USXIJHARSA-N 1 0 379.451 3.301 20 30 GGEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261645025 1433898185 /nfs/dbraw/zinc/89/81/85/1433898185.db2.gz DTXASTXDCLDWDF-LJQANCHMSA-N 1 0 398.894 3.035 20 30 GGEDRO C[NH+]=C(NCc1csc(CCc2ccccc2)n1)N1CC[C@@]2(CCOC2)C1 ZINC000261663652 1433898510 /nfs/dbraw/zinc/89/85/10/1433898510.db2.gz BDPQWSRJHCWSGV-OAQYLSRUSA-N 1 0 384.549 3.116 20 30 GGEDRO CC[NH+]=C(N[C@H](C)c1cccc(-n2cccn2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261667889 1433898557 /nfs/dbraw/zinc/89/85/57/1433898557.db2.gz OTGXQIFZGBSJTM-UMSONDCASA-N 1 0 393.535 3.446 20 30 GGEDRO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1nc(-c2ccccc2)no1 ZINC000261684581 1433899001 /nfs/dbraw/zinc/89/90/01/1433899001.db2.gz MFKUMCZDKRNEPD-CQSZACIVSA-N 1 0 393.447 3.428 20 30 GGEDRO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1nc(-c2ccccc2)no1 ZINC000261684579 1433899049 /nfs/dbraw/zinc/89/90/49/1433899049.db2.gz MFKUMCZDKRNEPD-AWEZNQCLSA-N 1 0 393.447 3.428 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1)N(C)C[C@H]1CCOC1 ZINC000261734361 1433900570 /nfs/dbraw/zinc/90/05/70/1433900570.db2.gz YMTFQIKEJLEOIV-DLBZAZTESA-N 1 0 378.948 3.018 20 30 GGEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CCN(c2cccs2)CC1 ZINC000261753205 1433901505 /nfs/dbraw/zinc/90/15/05/1433901505.db2.gz MAZQKKFFCPZNHI-UHFFFAOYSA-N 1 0 387.534 3.362 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2Cl)CCOCC1)N(C)Cc1ccon1 ZINC000261763441 1433902582 /nfs/dbraw/zinc/90/25/82/1433902582.db2.gz NGQATURRZUTLDG-UHFFFAOYSA-N 1 0 376.888 3.084 20 30 GGEDRO C[NH+]=C(NCC1(c2ccccc2Br)CC1)N(C)Cc1ccon1 ZINC000261772298 1433903009 /nfs/dbraw/zinc/90/30/09/1433903009.db2.gz OFNQELSQXJKMIJ-UHFFFAOYSA-N 1 0 377.286 3.176 20 30 GGEDRO C[NH+]=C(NCCc1sc(C)nc1C)N(C)Cc1cc(Br)cn1C ZINC000261778211 1433903331 /nfs/dbraw/zinc/90/33/31/1433903331.db2.gz OXBNUYUNRCJYFU-UHFFFAOYSA-N 1 0 398.374 3.111 20 30 GGEDRO C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1nc(-c2ccccc2)no1 ZINC000261776451 1433903386 /nfs/dbraw/zinc/90/33/86/1433903386.db2.gz ZWQCAFSDLKXCMX-PBHICJAKSA-N 1 0 377.448 3.268 20 30 GGEDRO CC[NH+]=C(NCc1csc2ccccc12)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261790896 1433904013 /nfs/dbraw/zinc/90/40/13/1433904013.db2.gz QVIALBJESMEWGX-QGZVFWFLSA-N 1 0 386.565 3.021 20 30 GGEDRO CC[NH+]=C(NCc1csc2ccccc12)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261790895 1433904108 /nfs/dbraw/zinc/90/41/08/1433904108.db2.gz QVIALBJESMEWGX-KRWDZBQOSA-N 1 0 386.565 3.021 20 30 GGEDRO [NH2+]=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000261788298 1433904267 /nfs/dbraw/zinc/90/42/67/1433904267.db2.gz LTNQZHYVYSHYII-SFHVURJKSA-N 1 0 376.504 3.341 20 30 GGEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NC[C@H]2CCCc3ccccc32)=[NH+]C)C1 ZINC000261815788 1433905354 /nfs/dbraw/zinc/90/53/54/1433905354.db2.gz TYKDRAVFASJEAK-OHTOYBKXSA-N 1 0 375.582 3.351 20 30 GGEDRO C[NH+]=C(NCCc1cc(Cl)ccc1Br)N(C)Cc1ccon1 ZINC000261822264 1433905523 /nfs/dbraw/zinc/90/55/23/1433905523.db2.gz UPQZNPAFPOHFOL-UHFFFAOYSA-N 1 0 385.693 3.340 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCCO[C@H]1C(C)(C)C)N1CCN(c2cccs2)CC1 ZINC000261863260 1433907698 /nfs/dbraw/zinc/90/76/98/1433907698.db2.gz ZORJDFPODPLSFH-FUHWJXTLSA-N 1 0 378.586 3.287 20 30 GGEDRO C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=[NH2+])NC3CCCCCC3)c2)C1=O ZINC000261887327 1433909681 /nfs/dbraw/zinc/90/96/81/1433909681.db2.gz SHPKSXUQBZSYJH-QFIPXVFZSA-N 1 0 397.523 3.039 20 30 GGEDRO C[NH+]=C(NCc1cc(F)ccc1Br)N(C)CCC1CCOCC1 ZINC000261936684 1433914088 /nfs/dbraw/zinc/91/40/88/1433914088.db2.gz CQQIULRBPGJJAN-UHFFFAOYSA-N 1 0 386.309 3.412 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N(C)Cc2cc3ccccc3o2)n1C ZINC000261948113 1433915283 /nfs/dbraw/zinc/91/52/83/1433915283.db2.gz GMDLSXFZIWBDHI-UHFFFAOYSA-N 1 0 380.496 3.390 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CC2)N2CCC[C@@]3(CCCc4ccccc43)C2)n1C ZINC000261956669 1433916293 /nfs/dbraw/zinc/91/62/93/1433916293.db2.gz IYBHLOIGIOJJGN-QHCPKHFHSA-N 1 0 392.551 3.102 20 30 GGEDRO C[NH+]=C(NCc1cc(-c2ccccc2)no1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261959724 1433916329 /nfs/dbraw/zinc/91/63/29/1433916329.db2.gz JUKAKYGZXLAPBN-OXJNMPFZSA-N 1 0 378.480 3.197 20 30 GGEDRO C[NH+]=C(NCc1cc(-c2ccccc2)no1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261959723 1433916389 /nfs/dbraw/zinc/91/63/89/1433916389.db2.gz JUKAKYGZXLAPBN-JXFKEZNVSA-N 1 0 378.480 3.197 20 30 GGEDRO Cc1nnc(CNC(N[C@H](C)c2ccccc2)=[NH+][C@@H]2CCOC3(CCC3)C2)n1C ZINC000261970919 1433918001 /nfs/dbraw/zinc/91/80/01/1433918001.db2.gz MTJUXBYJKZZWAD-VQIMIIECSA-N 1 0 396.539 3.022 20 30 GGEDRO C[NH+]=C(NCc1ccc(Oc2cccc(OC)c2)nc1)N1CC[C@]2(CCOC2)C1 ZINC000261975009 1433918485 /nfs/dbraw/zinc/91/84/85/1433918485.db2.gz NOAKSOGZCQOBNQ-QFIPXVFZSA-N 1 0 396.491 3.070 20 30 GGEDRO Cc1nnc(CNC(=[NH+]C2CCCCC2)N2CC[C@H](c3ccccc3)C2)n1C ZINC000261977399 1433918503 /nfs/dbraw/zinc/91/85/03/1433918503.db2.gz NZUPHYAQHWLCDP-IBGZPJMESA-N 1 0 380.540 3.391 20 30 GGEDRO CC[NH+]=C(NCc1nnc2n1CCCCC2)N1CCSC2(CCCCC2)C1 ZINC000261983679 1433919061 /nfs/dbraw/zinc/91/90/61/1433919061.db2.gz RRGDNIASDYSISI-UHFFFAOYSA-N 1 0 390.601 3.222 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261982068 1433919088 /nfs/dbraw/zinc/91/90/88/1433919088.db2.gz PDDPRCLRBRASDB-PWIZWCRZSA-N 1 0 381.524 3.288 20 30 GGEDRO CC[NH+]=C(NCc1cc(F)ccc1Br)N1CC[C@]2(CCOC2)C1 ZINC000261982026 1433919314 /nfs/dbraw/zinc/91/93/14/1433919314.db2.gz PBSVDCMIHZYSPB-KRWDZBQOSA-N 1 0 384.293 3.166 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261998649 1433920733 /nfs/dbraw/zinc/92/07/33/1433920733.db2.gz SZIXSTWVGUETAR-DBVUQKKJSA-N 1 0 379.508 3.042 20 30 GGEDRO CC[NH+]=C(NCCn1c(C)nc2ccccc21)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261998997 1433920806 /nfs/dbraw/zinc/92/08/06/1433920806.db2.gz TXMJNMNWKXNWDP-UWJYYQICSA-N 1 0 393.539 3.090 20 30 GGEDRO [NH2+]=C(NCCNc1nc2ccccc2s1)Nc1ccc2c(c1)OCCCO2 ZINC000261997689 1433920902 /nfs/dbraw/zinc/92/09/02/1433920902.db2.gz OMUSRVHUCWBYST-UHFFFAOYSA-N 1 0 383.477 3.296 20 30 GGEDRO [NH2+]=C(NCC1(c2ccc(F)cc2)CCOCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262007730 1433921244 /nfs/dbraw/zinc/92/12/44/1433921244.db2.gz SDAAANQACNARNU-UHFFFAOYSA-N 1 0 399.466 3.462 20 30 GGEDRO C[NH+]=C(NCC(C)(C)c1cccc(Br)c1)N1CC[C@@]2(CCOC2)C1 ZINC000262005183 1433921320 /nfs/dbraw/zinc/92/13/20/1433921320.db2.gz VKVOTWWVOBGUJW-LJQANCHMSA-N 1 0 394.357 3.415 20 30 GGEDRO Cc1nnc(CNC(N[C@@H]2CCOc3ccccc32)=[NH+][C@H]2CCC[C@H](C)C2)n1C ZINC000262012268 1433921402 /nfs/dbraw/zinc/92/14/02/1433921402.db2.gz WWMIISBASLXZKC-VDZJLULYSA-N 1 0 396.539 3.261 20 30 GGEDRO CC[NH+]=C(NCc1cc(OC)ccc1Br)N1CC[C@@]2(CCOC2)C1 ZINC000262009075 1433921676 /nfs/dbraw/zinc/92/16/76/1433921676.db2.gz WEFAXHJOAUFGBH-GOSISDBHSA-N 1 0 396.329 3.036 20 30 GGEDRO [NH2+]=C(NCC1(c2ccccc2)CCOCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262022204 1433922787 /nfs/dbraw/zinc/92/27/87/1433922787.db2.gz YHUHCYBBIPDJHK-UHFFFAOYSA-N 1 0 381.476 3.323 20 30 GGEDRO [NH2+]=C(NC[C@H](O)c1ccc(Cl)c(F)c1)Nc1ccc2c(c1)OCCCO2 ZINC000262019801 1433922796 /nfs/dbraw/zinc/92/27/96/1433922796.db2.gz LVLVXBCTHOPKAV-HNNXBMFYSA-N 1 0 379.819 3.101 20 30 GGEDRO N#Cc1cc(S(=O)(=O)N2CCCc3cc(C[NH3+])ccc32)ccc1C(F)(F)F ZINC000262076684 1433925942 /nfs/dbraw/zinc/92/59/42/1433925942.db2.gz PZDLHLGTDLSZHU-UHFFFAOYSA-N 1 0 395.406 3.177 20 30 GGEDRO [NH2+]=C(NC[C@@H]1COC2(CCOCC2)O1)Nc1cccc(Oc2ccccc2)c1 ZINC000262128427 1433927878 /nfs/dbraw/zinc/92/78/78/1433927878.db2.gz KLSIQPIHXGLCCP-LJQANCHMSA-N 1 0 383.448 3.128 20 30 GGEDRO C[C@H](NC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CC1)c1cccc2ccccc21 ZINC000262156765 1433928808 /nfs/dbraw/zinc/92/88/08/1433928808.db2.gz BKCJVPCEXKIIMZ-HOTGVXAUSA-N 1 0 385.533 3.033 20 30 GGEDRO C[C@@H]1CCCC[C@@H]1[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000262291609 1433933748 /nfs/dbraw/zinc/93/37/48/1433933748.db2.gz LICGMIJYCZPBPO-QRVBRYPASA-N 1 0 392.588 3.070 20 30 GGEDRO CN(C)C(=O)CNC(=[NH+]C1CC1)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000262326168 1433934924 /nfs/dbraw/zinc/93/49/24/1433934924.db2.gz UAFKOFZPJKWZPS-UHFFFAOYSA-N 1 0 394.972 3.093 20 30 GGEDRO COc1ccc(C2(CNC(=[NH2+])Nc3cc(F)ccc3F)CCOCC2)cc1 ZINC000262321894 1433935039 /nfs/dbraw/zinc/93/50/39/1433935039.db2.gz VWJLZNCLGFRRHY-UHFFFAOYSA-N 1 0 375.419 3.448 20 30 GGEDRO CC[C@]1(C)CCN(C(N[C@@H](C)c2ccccc2)=[NH+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000262331063 1433935219 /nfs/dbraw/zinc/93/52/19/1433935219.db2.gz AXPGKNSCCQVZDD-BBTUJRGHSA-N 1 0 391.581 3.250 20 30 GGEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@@H](COCc2ccccc2)C1 ZINC000262329782 1433935412 /nfs/dbraw/zinc/93/54/12/1433935412.db2.gz ARDURQINAUFYNT-MHTWAQMVSA-N 1 0 385.552 3.304 20 30 GGEDRO C[NH+]=C(NCc1cc(Cl)ccc1OC(F)F)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262332875 1433935534 /nfs/dbraw/zinc/93/55/34/1433935534.db2.gz BIPGYOFBOFOMJF-NWANDNLSSA-N 1 0 387.858 3.420 20 30 GGEDRO [NH2+]=C(NCCOc1cccc(Br)c1)N[C@H]1CCOc2ccccc21 ZINC000262340866 1433935584 /nfs/dbraw/zinc/93/55/84/1433935584.db2.gz AHTIAGAKYSTVCR-INIZCTEOSA-N 1 0 390.281 3.256 20 30 GGEDRO [NH2+]=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCCCO2 ZINC000262345918 1433935952 /nfs/dbraw/zinc/93/59/52/1433935952.db2.gz ZTRCHGXBWUXWNY-UHFFFAOYSA-N 1 0 390.827 3.379 20 30 GGEDRO C[C@H](NC(NCC(=O)N(C)C)=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccs1 ZINC000262342253 1433935964 /nfs/dbraw/zinc/93/59/64/1433935964.db2.gz XFDYMSFGFUGQDY-LUKYLMHMSA-N 1 0 376.570 3.401 20 30 GGEDRO CC[NH+]=C(NCc1ccc(Cl)cc1Cl)NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262349978 1433936087 /nfs/dbraw/zinc/93/60/87/1433936087.db2.gz BDORPDPYZBHKPZ-ZDUSSCGKSA-N 1 0 395.338 3.211 20 30 GGEDRO CN(Cc1ccc(Cl)cc1)C(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1CCCC1 ZINC000262350612 1433936089 /nfs/dbraw/zinc/93/60/89/1433936089.db2.gz FDAOFDSTQRUEOW-INIZCTEOSA-N 1 0 397.972 3.095 20 30 GGEDRO [NH2+]=C(NCCc1nc(-c2cccc(Cl)c2)no1)N[C@@H]1CCOc2ccccc21 ZINC000262363583 1433936665 /nfs/dbraw/zinc/93/66/65/1433936665.db2.gz HHOHCOYBUFFXAT-MRXNPFEDSA-N 1 0 397.866 3.361 20 30 GGEDRO CCC1(CC)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1 ZINC000262365758 1433936674 /nfs/dbraw/zinc/93/66/74/1433936674.db2.gz HQSQIESPLHJZSK-KRWDZBQOSA-N 1 0 383.602 3.212 20 30 GGEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H](C)c1cccc2ccccc21 ZINC000262371919 1433936973 /nfs/dbraw/zinc/93/69/73/1433936973.db2.gz ISNYRGKDYLNAOU-DLBZAZTESA-N 1 0 387.549 3.279 20 30 GGEDRO CC1(C)CCC[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C1 ZINC000262374440 1433936987 /nfs/dbraw/zinc/93/69/87/1433936987.db2.gz JEIDPOZLBRXIEA-WMZOPIPTSA-N 1 0 383.602 3.258 20 30 GGEDRO C[NH+]=C(N[C@H](C)c1cccc(-n2cccn2)c1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262381701 1433937226 /nfs/dbraw/zinc/93/72/26/1433937226.db2.gz KMQVWOHQZMXPEE-NMLACTOBSA-N 1 0 381.524 3.302 20 30 GGEDRO CC[C@]1(C)CCN(C(N[C@@H](C)c2cccs2)=[NH+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000262385747 1433937437 /nfs/dbraw/zinc/93/74/37/1433937437.db2.gz LFJAQZFBWQKRGA-TXPKVOOTSA-N 1 0 397.610 3.311 20 30 GGEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NC[C@H](O)c1ccc(C)o1 ZINC000262383055 1433937474 /nfs/dbraw/zinc/93/74/74/1433937474.db2.gz LSCASHAGBFRLQN-ZDUSSCGKSA-N 1 0 378.885 3.250 20 30 GGEDRO CC[NH+]=C(NCc1ccc(Br)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262386559 1433937493 /nfs/dbraw/zinc/93/74/93/1433937493.db2.gz LLKNXUKPBNZDLZ-ARFHVFGLSA-N 1 0 380.330 3.318 20 30 GGEDRO C[NH+]=C(NC[C@H](c1ccco1)N1CCCCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262398479 1433937779 /nfs/dbraw/zinc/93/77/79/1433937779.db2.gz JQYXYRYNCZTIQX-CUDHKJQZSA-N 1 0 388.556 3.175 20 30 GGEDRO C[C@@H]1CC[C@H](NC(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)C[C@H]1C ZINC000262406420 1433937982 /nfs/dbraw/zinc/93/79/82/1433937982.db2.gz OQNSKKJNJATDPE-VXNCWWDNSA-N 1 0 383.602 3.114 20 30 GGEDRO C[NH+]=C(NCc1nn(-c2ccccc2)c2c1CCC2)NCc1sc(C)nc1C ZINC000262419185 1433938381 /nfs/dbraw/zinc/93/83/81/1433938381.db2.gz QQSFZBLMMWOPNJ-UHFFFAOYSA-N 1 0 394.548 3.300 20 30 GGEDRO C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N1CC[C@H](c2ccccc2)C1 ZINC000262433994 1433938793 /nfs/dbraw/zinc/93/87/93/1433938793.db2.gz FSXRIXKVCVUWEP-AWEZNQCLSA-N 1 0 390.409 3.107 20 30 GGEDRO c1ccc(NC(=[NH+]Cc2cccc(N3CCOCC3)n2)N2CCCCC2)cc1 ZINC000262434834 1433938840 /nfs/dbraw/zinc/93/88/40/1433938840.db2.gz CCIJQJLHNVXMBZ-UHFFFAOYSA-N 1 0 379.508 3.372 20 30 GGEDRO C[NH+]=C(NCc1nc(C)c(C)s1)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000262436567 1433938897 /nfs/dbraw/zinc/93/88/97/1433938897.db2.gz TYSVXEJTPJGCMY-UHFFFAOYSA-N 1 0 394.548 3.300 20 30 GGEDRO CC1(C)CCC[C@@H]([NH+]=C(NCc2cccs2)NC[C@H]2CCS(=O)(=O)C2)C1 ZINC000262439873 1433938973 /nfs/dbraw/zinc/93/89/73/1433938973.db2.gz UJZXIBIQXRYUIB-HZPDHXFCSA-N 1 0 397.610 3.187 20 30 GGEDRO CCC1(CC)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+][C@@H]2CCCC[C@@H]2C)C1 ZINC000262449660 1433939653 /nfs/dbraw/zinc/93/96/53/1433939653.db2.gz VTFPCQFVAUPPIG-GBESFXJTSA-N 1 0 397.629 3.458 20 30 GGEDRO C[NH+]=C(NCc1cccc(CN2CCCC2=O)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000262455552 1433939894 /nfs/dbraw/zinc/93/98/94/1433939894.db2.gz KXPIAJSWGVTYOP-JOCHJYFZSA-N 1 0 390.531 3.374 20 30 GGEDRO O=S1(=O)CC[C@H](CNC(=[NH+]C2CCCCC2)N2CCC3(C2)CCCCC3)C1 ZINC000262456542 1433939946 /nfs/dbraw/zinc/93/99/46/1433939946.db2.gz WVSLLSVIUDNRCU-GOSISDBHSA-N 1 0 395.613 3.356 20 30 GGEDRO Cc1cc(C)c(CNC(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CCCC2)c(C)c1 ZINC000262465715 1433940116 /nfs/dbraw/zinc/94/01/16/1433940116.db2.gz YFQMCONTTBLZTI-GOSISDBHSA-N 1 0 391.581 3.024 20 30 GGEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c(O[C@H]2CCOC2)c1 ZINC000262466301 1433940181 /nfs/dbraw/zinc/94/01/81/1433940181.db2.gz YHNUXZJXSMTARV-SFHVURJKSA-N 1 0 397.475 3.251 20 30 GGEDRO CC[C@]1(C)CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+][C@@H]2CCCC[C@H]2C)C1 ZINC000262473510 1433940307 /nfs/dbraw/zinc/94/03/07/1433940307.db2.gz ZKTZXBOOBQKKDI-AJYBTWMASA-N 1 0 383.602 3.067 20 30 GGEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262473642 1433940335 /nfs/dbraw/zinc/94/03/35/1433940335.db2.gz URIVUVRJHUOUNN-QFHJOOASSA-N 1 0 390.597 3.254 20 30 GGEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)N2CCOCC2)o1 ZINC000262484446 1433940972 /nfs/dbraw/zinc/94/09/72/1433940972.db2.gz SFMSAPAJBZQDDH-FQEVSTJZSA-N 1 0 382.508 3.267 20 30 GGEDRO C[NH+]=C(NCC1(c2ccc(Br)cc2)CCC1)N1CC[C@H](COC)C1 ZINC000262493501 1433941237 /nfs/dbraw/zinc/94/12/37/1433941237.db2.gz VOXAUBKUKCEGHA-HNNXBMFYSA-N 1 0 394.357 3.415 20 30 GGEDRO C[NH+]=C(NCc1ccccc1CN1CCCC1=O)N1CC[C@H](c2ccccc2)C1 ZINC000262496200 1433941300 /nfs/dbraw/zinc/94/13/00/1433941300.db2.gz WLLOELIJRORDTD-QFIPXVFZSA-N 1 0 390.531 3.374 20 30 GGEDRO CN(C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1c(F)cccc1F ZINC000262505103 1433941702 /nfs/dbraw/zinc/94/17/02/1433941702.db2.gz BGIDMOUPIVXGLS-MRXNPFEDSA-N 1 0 390.434 3.156 20 30 GGEDRO CC1CCN(c2ccc(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)cn2)CC1 ZINC000262511236 1433942021 /nfs/dbraw/zinc/94/20/21/1433942021.db2.gz MEKYQEIMVTVFLM-IBGZPJMESA-N 1 0 379.508 3.246 20 30 GGEDRO C[NH+]=C(NCc1nnc2ccc(C(F)(F)F)cn21)N(C)Cc1cccc(F)c1 ZINC000262517013 1433942086 /nfs/dbraw/zinc/94/20/86/1433942086.db2.gz CWWVREPFVVXOEI-UHFFFAOYSA-N 1 0 394.376 3.095 20 30 GGEDRO C[NH+]=C(NCc1csc(Br)c1)NC[C@@](C)(O)c1ccsc1 ZINC000262522617 1433942419 /nfs/dbraw/zinc/94/24/19/1433942419.db2.gz OAUDIGUKJKUSLE-CQSZACIVSA-N 1 0 388.356 3.145 20 30 GGEDRO CN(C)c1cc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2ccccc2n1 ZINC000262528969 1433942525 /nfs/dbraw/zinc/94/25/25/1433942525.db2.gz MPJRKLZYMAFTCX-UHFFFAOYSA-N 1 0 391.475 3.389 20 30 GGEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1C)N(C)Cc1cccc(Cl)c1 ZINC000262537551 1433942621 /nfs/dbraw/zinc/94/26/21/1433942621.db2.gz KHHNEYWJTFCWIN-UHFFFAOYSA-N 1 0 382.899 3.437 20 30 GGEDRO [NH2+]=C(NCCOc1ccc(Br)cc1)N[C@H]1CCOc2ccccc21 ZINC000262560428 1433943503 /nfs/dbraw/zinc/94/35/03/1433943503.db2.gz WECCIXRLWQZMLP-INIZCTEOSA-N 1 0 390.281 3.256 20 30 GGEDRO O=S1(=O)CC[C@@H](CNC(NCc2ccccc2Cl)=[NH+]C2CCCCC2)C1 ZINC000262567122 1433943857 /nfs/dbraw/zinc/94/38/57/1433943857.db2.gz MBHYIWFUWSROPI-HNNXBMFYSA-N 1 0 397.972 3.143 20 30 GGEDRO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)N1CCC[C@@H](C)C1 ZINC000262594787 1433945325 /nfs/dbraw/zinc/94/53/25/1433945325.db2.gz WIRPHOWIQIIDSC-GFCCVEGCSA-N 1 0 381.318 3.003 20 30 GGEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N(C)Cc1c(F)cccc1Cl ZINC000262598474 1433945659 /nfs/dbraw/zinc/94/56/59/1433945659.db2.gz XTYZIUQLSOHQDA-UHFFFAOYSA-N 1 0 378.883 3.004 20 30 GGEDRO c1coc(CCNC(N[C@H]2CCOC3(CCCC3)C2)=[NH+]C2CCOCC2)c1 ZINC000262675813 1433949156 /nfs/dbraw/zinc/94/91/56/1433949156.db2.gz QYOWGKGHUTWHNG-SFHVURJKSA-N 1 0 375.513 3.028 20 30 GGEDRO C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262674123 1433949341 /nfs/dbraw/zinc/94/93/41/1433949341.db2.gz QMEBYICDYSVDST-GDBMZVCRSA-N 1 0 388.487 3.192 20 30 GGEDRO C[C@@H](NC(=[NH2+])NC[C@@H]1CCO[C@H]1c1ccnn1C)c1ccc(Cl)cc1Cl ZINC000262687343 1433950161 /nfs/dbraw/zinc/95/01/61/1433950161.db2.gz YVLPMSFVVCSLRP-BWACUDIHSA-N 1 0 396.322 3.470 20 30 GGEDRO C[NH+]=C(NCc1ccsc1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000262710283 1433951415 /nfs/dbraw/zinc/95/14/15/1433951415.db2.gz LFLKHNLCHCORPS-UHFFFAOYSA-N 1 0 396.310 3.147 20 30 GGEDRO CC[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@@H]1CCN(C2CC2)C1 ZINC000262739703 1433953111 /nfs/dbraw/zinc/95/31/11/1433953111.db2.gz DIYJVCKUMBJLAT-CYBMUJFWSA-N 1 0 377.945 3.242 20 30 GGEDRO CC[NH+]=C(NCC1CCN(Cc2nc(C)c(C)o2)CC1)N1CCC[C@H](C)C1 ZINC000262754778 1433954040 /nfs/dbraw/zinc/95/40/40/1433954040.db2.gz DBJZWWFAXAGQFV-INIZCTEOSA-N 1 0 375.561 3.201 20 30 GGEDRO C[NH+]=C(NCc1ccc(-c2nc3ccccc3s2)o1)N[C@H]1CCN(C2CC2)C1 ZINC000262767384 1433954558 /nfs/dbraw/zinc/95/45/58/1433954558.db2.gz JKHSEXUXEWBYMD-AWEZNQCLSA-N 1 0 395.532 3.458 20 30 GGEDRO C[NH+]=C(NC[C@H]1CCOC1)NCC1(c2cccc(Br)c2)CCC1 ZINC000262784461 1433955801 /nfs/dbraw/zinc/95/58/01/1433955801.db2.gz JMXWSIOKTBBINZ-CQSZACIVSA-N 1 0 380.330 3.072 20 30 GGEDRO CC[NH+]=C(NCC1CCN(Cc2nc(C)c(C)o2)CC1)N1C[C@H](C)C[C@@H](C)C1 ZINC000262795303 1433957097 /nfs/dbraw/zinc/95/70/97/1433957097.db2.gz PDRRYUJJHVUVCJ-IAGOWNOFSA-N 1 0 389.588 3.447 20 30 GGEDRO C[NH+]=C(NCc1ccnc(OC2CCOCC2)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000262810823 1433958215 /nfs/dbraw/zinc/95/82/15/1433958215.db2.gz UFZWSEGZMSPOKF-IPMKNSEASA-N 1 0 386.540 3.273 20 30 GGEDRO C[NH+]=C(NCCc1c(C)noc1C)N(C)Cc1ccc(Br)s1 ZINC000262830753 1433959604 /nfs/dbraw/zinc/95/96/04/1433959604.db2.gz ZUEZWVJTJTYBRS-UHFFFAOYSA-N 1 0 385.331 3.365 20 30 GGEDRO C[NH+]=C(NCCc1c(C)noc1C)N(C)Cc1ccccc1Br ZINC000262829852 1433959870 /nfs/dbraw/zinc/95/98/70/1433959870.db2.gz ZMJYDUHAUZGVEY-UHFFFAOYSA-N 1 0 379.302 3.304 20 30 GGEDRO C[NH+]=C(NC[C@@H]1CCOC1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000262837786 1433960507 /nfs/dbraw/zinc/96/05/07/1433960507.db2.gz SYNGRLPUPOKJLB-AWEZNQCLSA-N 1 0 380.330 3.072 20 30 GGEDRO C[NH+]=C(NC[C@H]1CCOC1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000262837787 1433960583 /nfs/dbraw/zinc/96/05/83/1433960583.db2.gz SYNGRLPUPOKJLB-CQSZACIVSA-N 1 0 380.330 3.072 20 30 GGEDRO CC(C)(C[NH+]=C(Nc1ccccc1)N1CCCCC1)[C@@H]1COCC12OCCO2 ZINC000263024052 1433978021 /nfs/dbraw/zinc/97/80/21/1433978021.db2.gz AHSLRXMISVBJRP-IBGZPJMESA-N 1 0 387.524 3.356 20 30 GGEDRO CC(C)(C[NH+]=C(Nc1ccccc1)N1CCCCC1)[C@H]1COCC12OCCO2 ZINC000263024054 1433978217 /nfs/dbraw/zinc/97/82/17/1433978217.db2.gz AHSLRXMISVBJRP-LJQANCHMSA-N 1 0 387.524 3.356 20 30 GGEDRO COc1ccccc1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000263226518 1433997003 /nfs/dbraw/zinc/99/70/03/1433997003.db2.gz GQFMBLIZRCBDQX-UHFFFAOYSA-N 1 0 375.856 3.114 20 30 GGEDRO C[NH+]=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)NC1CCCC1 ZINC000263234014 1433997171 /nfs/dbraw/zinc/99/71/71/1433997171.db2.gz IYLMPQVRHHIUNI-CQSZACIVSA-N 1 0 379.346 3.383 20 30 GGEDRO [NH2+]=C(NC[C@H]1CSCCN1Cc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000263245930 1433998150 /nfs/dbraw/zinc/99/81/50/1433998150.db2.gz HQGFSZSSDXVABC-AZUAARDMSA-N 1 0 396.560 3.032 20 30 GGEDRO CC[NH+]=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N1CCCC1 ZINC000263253953 1433998752 /nfs/dbraw/zinc/99/87/52/1433998752.db2.gz PYZQOLAKNMJDNE-OAHLLOKOSA-N 1 0 379.346 3.337 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCC2(N3CCOCC3)CCCCC2)cc1Cl ZINC000263262782 1433999115 /nfs/dbraw/zinc/99/91/15/1433999115.db2.gz UAIGOWPVRBMFFX-UHFFFAOYSA-N 1 0 380.920 3.110 20 30 GGEDRO C[NH+]=C(NCc1cccc(NC(=O)N2CCCC2)c1)N1CCc2ccccc21 ZINC000263267550 1433999515 /nfs/dbraw/zinc/99/95/15/1433999515.db2.gz VPVJDBWTKCGXNU-UHFFFAOYSA-N 1 0 377.492 3.452 20 30 GGEDRO C[C@@H](NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000263797788 1434035280 /nfs/dbraw/zinc/03/52/80/1434035280.db2.gz ZUDPUZJMYAHLOC-KZNAEPCWSA-N 1 0 384.524 3.150 20 30 GGEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000263835749 1434039844 /nfs/dbraw/zinc/03/98/44/1434039844.db2.gz UKHRGMZCXDIWEL-UHFFFAOYSA-N 1 0 384.549 3.445 20 30 GGEDRO C=CCOc1ccc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1Cl ZINC000263847177 1434041154 /nfs/dbraw/zinc/04/11/54/1434041154.db2.gz KZZBDOWLAYLPHC-MRXNPFEDSA-N 1 0 389.805 3.178 20 30 GGEDRO CCc1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC2CCOCC2)cc1 ZINC000263915869 1434048723 /nfs/dbraw/zinc/04/87/23/1434048723.db2.gz PSEVFYSZRLYUOO-UHFFFAOYSA-O 1 0 387.500 3.383 20 30 GGEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2nccnc2C#N)CC1 ZINC000263930269 1434049958 /nfs/dbraw/zinc/04/99/58/1434049958.db2.gz WFUDAIWSAGUMGI-UHFFFAOYSA-N 1 0 375.398 3.468 20 30 GGEDRO COc1cc(/C=C/C(=O)Nc2ccc(CC[NH+](C)C)cc2)ccc1OCC#N ZINC000263962975 1434054240 /nfs/dbraw/zinc/05/42/40/1434054240.db2.gz SZNOLXMNUHYCKT-YRNVUSSQSA-N 1 0 379.460 3.354 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CC(=O)N2C ZINC000263998334 1434059706 /nfs/dbraw/zinc/05/97/06/1434059706.db2.gz MQYNVQBXEBIEKH-OLZOCXBDSA-N 1 0 396.878 3.408 20 30 GGEDRO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCN1Cc1ccc(OCC#N)cc1 ZINC000264063740 1434067986 /nfs/dbraw/zinc/06/79/86/1434067986.db2.gz AHCFOKFBQRSXPJ-IBGZPJMESA-N 1 0 390.487 3.198 20 30 GGEDRO COCCn1c(C)c(C)c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc21 ZINC000264063628 1434068067 /nfs/dbraw/zinc/06/80/67/1434068067.db2.gz WQFPYBDISYBAOY-UHFFFAOYSA-N 1 0 384.524 3.212 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C(=O)N3CCCCC3)cc2)cc1OC ZINC000264064706 1434068287 /nfs/dbraw/zinc/06/82/87/1434068287.db2.gz DPWXGTKKDZFUEB-UHFFFAOYSA-N 1 0 396.491 3.257 20 30 GGEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccsc1 ZINC000264070062 1434068897 /nfs/dbraw/zinc/06/88/97/1434068897.db2.gz GDJFVFTWVNKCPN-HXUWFJFHSA-N 1 0 398.532 3.475 20 30 GGEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccsc1 ZINC000264070058 1434069006 /nfs/dbraw/zinc/06/90/06/1434069006.db2.gz GDJFVFTWVNKCPN-FQEVSTJZSA-N 1 0 398.532 3.475 20 30 GGEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C3(C#N)CCCC3)CC2)c1C ZINC000264073213 1434069210 /nfs/dbraw/zinc/06/92/10/1434069210.db2.gz GTHMADGRNXGEAI-UHFFFAOYSA-N 1 0 384.524 3.214 20 30 GGEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000264076420 1434069678 /nfs/dbraw/zinc/06/96/78/1434069678.db2.gz FVZJNDDVDWSONW-CQSZACIVSA-N 1 0 392.500 3.078 20 30 GGEDRO COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)N2CCCC2)c1 ZINC000264079282 1434069861 /nfs/dbraw/zinc/06/98/61/1434069861.db2.gz IDDFHOMXADFABW-LJQANCHMSA-N 1 0 398.507 3.276 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nccn3CC(F)(F)F)CC2)cc1 ZINC000264091835 1434071043 /nfs/dbraw/zinc/07/10/43/1434071043.db2.gz QFDLAXKSIIIYGK-UHFFFAOYSA-N 1 0 377.414 3.025 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCc2ccc(NC(=O)NC(C)C)cc2)cc1OC ZINC000264099020 1434071658 /nfs/dbraw/zinc/07/16/58/1434071658.db2.gz NPGJOQRVTIEVQN-UHFFFAOYSA-N 1 0 385.468 3.161 20 30 GGEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264186260 1434079451 /nfs/dbraw/zinc/07/94/51/1434079451.db2.gz AFRDENORZAMAAA-GHTZIAJQSA-N 1 0 377.488 3.006 20 30 GGEDRO CN(C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1)S(C)(=O)=O ZINC000264253138 1434088016 /nfs/dbraw/zinc/08/80/16/1434088016.db2.gz YEUJMJGCUSBQSK-UHFFFAOYSA-N 1 0 383.517 3.081 20 30 GGEDRO COc1ccc(NC(=[NH2+])NCCc2ccc(OC)c(OC(F)F)c2)cc1OC ZINC000264319518 1434096947 /nfs/dbraw/zinc/09/69/47/1434096947.db2.gz XGWLBLGWGLCRGY-UHFFFAOYSA-N 1 0 395.406 3.283 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)CC1 ZINC000264334180 1434098399 /nfs/dbraw/zinc/09/83/99/1434098399.db2.gz AANNXLQRNIVCJS-GOSISDBHSA-N 1 0 386.540 3.242 20 30 GGEDRO N#Cc1ccc(SCC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000264343153 1434099266 /nfs/dbraw/zinc/09/92/66/1434099266.db2.gz VUTRTAHGYSYZAE-HXUWFJFHSA-N 1 0 379.529 3.331 20 30 GGEDRO N#Cc1ccc(SCC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000264343149 1434099303 /nfs/dbraw/zinc/09/93/03/1434099303.db2.gz VUTRTAHGYSYZAE-FQEVSTJZSA-N 1 0 379.529 3.331 20 30 GGEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264360409 1434102186 /nfs/dbraw/zinc/10/21/86/1434102186.db2.gz BFAQDLDVSRPSJX-UHFFFAOYSA-N 1 0 387.524 3.038 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000264360679 1434102250 /nfs/dbraw/zinc/10/22/50/1434102250.db2.gz OOGVFPSRKJUCHQ-QZTJIDSGSA-N 1 0 386.540 3.068 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000264360789 1434102327 /nfs/dbraw/zinc/10/23/27/1434102327.db2.gz DMXVVTZDUNEXTC-UHFFFAOYSA-N 1 0 385.430 3.215 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CC)Cc2ccc(OC)cc2OC)CC1 ZINC000264373541 1434103941 /nfs/dbraw/zinc/10/39/41/1434103941.db2.gz JNHNPSNAEOMMPF-UHFFFAOYSA-N 1 0 375.513 3.276 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccnc(OCc3ccccc3)c2)CC1 ZINC000264383364 1434105233 /nfs/dbraw/zinc/10/52/33/1434105233.db2.gz JASRJSGOXTUZOT-UHFFFAOYSA-N 1 0 380.492 3.110 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 ZINC000264431642 1434111811 /nfs/dbraw/zinc/11/18/11/1434111811.db2.gz XATWQXIETZCGEN-UHFFFAOYSA-N 1 0 392.931 3.339 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000264456704 1434115239 /nfs/dbraw/zinc/11/52/39/1434115239.db2.gz DYWJYKAAFXISDA-QGZVFWFLSA-N 1 0 393.940 3.300 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000264497915 1434120611 /nfs/dbraw/zinc/12/06/11/1434120611.db2.gz PMSFJWMVEILDKH-UHFFFAOYSA-N 1 0 381.451 3.458 20 30 GGEDRO COc1cc(/C=C/C(=O)NCCCCC[NH+]2CCCCC2)ccc1OCC#N ZINC000264658259 1434140781 /nfs/dbraw/zinc/14/07/81/1434140781.db2.gz KNPJWCKVCKBOSR-PKNBQFBNSA-N 1 0 385.508 3.383 20 30 GGEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000264733264 1434149616 /nfs/dbraw/zinc/14/96/16/1434149616.db2.gz ZZQZVTRKRFCKMR-SVFBPWRDSA-N 1 0 399.535 3.208 20 30 GGEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1 ZINC000264733901 1434149774 /nfs/dbraw/zinc/14/97/74/1434149774.db2.gz QOFUCLJVSAGMPM-KRWDZBQOSA-N 1 0 386.540 3.225 20 30 GGEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264813712 1434157210 /nfs/dbraw/zinc/15/72/10/1434157210.db2.gz WKJOTWJIVVQLLE-SFHVURJKSA-N 1 0 393.491 3.026 20 30 GGEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264813707 1434157245 /nfs/dbraw/zinc/15/72/45/1434157245.db2.gz WKJOTWJIVVQLLE-GOSISDBHSA-N 1 0 393.491 3.026 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000264835755 1434158675 /nfs/dbraw/zinc/15/86/75/1434158675.db2.gz HJRRFXDPFDSWJI-HXUWFJFHSA-N 1 0 378.451 3.061 20 30 GGEDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000264938082 1434165817 /nfs/dbraw/zinc/16/58/17/1434165817.db2.gz FDCDOZTVIZCHBL-UHFFFAOYSA-N 1 0 387.487 3.455 20 30 GGEDRO COC(=O)[C@H]1CC12CC[NH+](CC(=O)c1cn(CCC#N)c3ccccc13)CC2 ZINC000265044471 1434178076 /nfs/dbraw/zinc/17/80/76/1434178076.db2.gz KKXGZIWQQMKHIK-GOSISDBHSA-N 1 0 379.460 3.013 20 30 GGEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)cc1OC ZINC000265150033 1434190595 /nfs/dbraw/zinc/19/05/95/1434190595.db2.gz BEABIFRPIDSHHW-PKOBYXMFSA-N 1 0 390.524 3.127 20 30 GGEDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000265182926 1434195388 /nfs/dbraw/zinc/19/53/88/1434195388.db2.gz NKONTNCBGWSDLK-QUCCMNQESA-N 1 0 379.508 3.200 20 30 GGEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc(OC)c1OC ZINC000265231254 1434204058 /nfs/dbraw/zinc/20/40/58/1434204058.db2.gz VAOBCBPDVAGIHE-RDTXWAMCSA-N 1 0 395.459 3.040 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CC1 ZINC000265241721 1434205718 /nfs/dbraw/zinc/20/57/18/1434205718.db2.gz YHZSOBSTZMWDKS-NDEPHWFRSA-N 1 0 394.540 3.419 20 30 GGEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCc3ccc(O)cc3)CC2)cc1 ZINC000265418328 1434232036 /nfs/dbraw/zinc/23/20/36/1434232036.db2.gz DZYVIWWBBMJRLT-UHFFFAOYSA-N 1 0 392.503 3.114 20 30 GGEDRO Cc1ncc(CO)c(/C=N/c2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c1O ZINC000265541126 1434243937 /nfs/dbraw/zinc/24/39/37/1434243937.db2.gz DLFGTOBGQHIHFY-ZMOGYAJESA-N 1 0 382.508 3.117 20 30 GGEDRO N#Cc1nnc2ccccc2c1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000265813812 1434267273 /nfs/dbraw/zinc/26/72/73/1434267273.db2.gz GDNWPKJMWOPXGD-GFCCVEGCSA-N 1 0 377.477 3.046 20 30 GGEDRO N#Cc1nnc2ccccc2c1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000265813815 1434267299 /nfs/dbraw/zinc/26/72/99/1434267299.db2.gz GDNWPKJMWOPXGD-LBPRGKRZSA-N 1 0 377.477 3.046 20 30 GGEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265876428 1434276839 /nfs/dbraw/zinc/27/68/39/1434276839.db2.gz WZBIIPDZAUESTE-QAPCUYQASA-N 1 0 386.496 3.122 20 30 GGEDRO COCCCOC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000266001012 1434295114 /nfs/dbraw/zinc/29/51/14/1434295114.db2.gz NONIJTKIZSBONQ-IBGZPJMESA-N 1 0 387.524 3.148 20 30 GGEDRO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000266051929 1434299721 /nfs/dbraw/zinc/29/97/21/1434299721.db2.gz YXYSNIXUBWFVAQ-UHFFFAOYSA-N 1 0 394.437 3.066 20 30 GGEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000266148343 1434306792 /nfs/dbraw/zinc/30/67/92/1434306792.db2.gz MZVGDWOLNLBUSN-LJQANCHMSA-N 1 0 384.524 3.046 20 30 GGEDRO C=CCOCCCC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000266295619 1434317190 /nfs/dbraw/zinc/31/71/90/1434317190.db2.gz BJDSSZBFXUKFPA-UHFFFAOYSA-N 1 0 389.540 3.113 20 30 GGEDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000266342242 1434322379 /nfs/dbraw/zinc/32/23/79/1434322379.db2.gz FMQWQOGBNOFFAB-LBPRGKRZSA-N 1 0 390.538 3.164 20 30 GGEDRO C#CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000266405348 1434331818 /nfs/dbraw/zinc/33/18/18/1434331818.db2.gz NCUYFZNCRMRMTE-UHFFFAOYSA-N 1 0 382.439 3.019 20 30 GGEDRO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000266433756 1434336179 /nfs/dbraw/zinc/33/61/79/1434336179.db2.gz DQWFXLIIDYISOU-SJORKVTESA-N 1 0 392.503 3.257 20 30 GGEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)C(=O)N(CCC#N)c1ccccc1 ZINC000266462415 1434340007 /nfs/dbraw/zinc/34/00/07/1434340007.db2.gz MLADPBOWYIFQTD-IRXDYDNUSA-N 1 0 390.487 3.191 20 30 GGEDRO COc1ccc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000266513122 1434345327 /nfs/dbraw/zinc/34/53/27/1434345327.db2.gz YCJJMTQJFICOGP-HZPDHXFCSA-N 1 0 381.476 3.273 20 30 GGEDRO N#Cc1cccc(OCCCCC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000266638974 1434357360 /nfs/dbraw/zinc/35/73/60/1434357360.db2.gz KHMNZGCYTKWEEW-UHFFFAOYSA-N 1 0 399.535 3.211 20 30 GGEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)C1 ZINC000266637783 1434357378 /nfs/dbraw/zinc/35/73/78/1434357378.db2.gz KFUNJDHGFXLBES-SFHVURJKSA-N 1 0 393.487 3.491 20 30 GGEDRO [NH2+]=C(NCC[C@@H]1C(=O)Nc2ccccc21)NCc1cccc(C(F)(F)F)c1 ZINC000266969152 1434393975 /nfs/dbraw/zinc/39/39/75/1434393975.db2.gz CZWHTFJOMALDSK-HNNXBMFYSA-N 1 0 376.382 3.236 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c(OC)c1OC ZINC000266967567 1434394027 /nfs/dbraw/zinc/39/40/27/1434394027.db2.gz BXMFBEFGQSURSZ-UHFFFAOYSA-N 1 0 397.397 3.336 20 30 GGEDRO CCNC(=O)c1ccc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)cc1 ZINC000266976126 1434394953 /nfs/dbraw/zinc/39/49/53/1434394953.db2.gz JGKBBVWPGUYWFB-UHFFFAOYSA-N 1 0 378.398 3.060 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000266988572 1434396430 /nfs/dbraw/zinc/39/64/30/1434396430.db2.gz WTYPSAACMAEYBX-PXNSSMCTSA-N 1 0 398.894 3.216 20 30 GGEDRO Cc1cccc(C(C)C)c1NC(=O)CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267028649 1434400366 /nfs/dbraw/zinc/40/03/66/1434400366.db2.gz URRICCJXKKSQDL-UHFFFAOYSA-N 1 0 382.508 3.456 20 30 GGEDRO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000267070001 1434405012 /nfs/dbraw/zinc/40/50/12/1434405012.db2.gz QMMQXSUPOXLGGX-IAGOWNOFSA-N 1 0 390.409 3.267 20 30 GGEDRO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000267070006 1434405020 /nfs/dbraw/zinc/40/50/20/1434405020.db2.gz QMMQXSUPOXLGGX-IRXDYDNUSA-N 1 0 390.409 3.267 20 30 GGEDRO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000267070011 1434405101 /nfs/dbraw/zinc/40/51/01/1434405101.db2.gz QMMQXSUPOXLGGX-SJORKVTESA-N 1 0 390.409 3.267 20 30 GGEDRO CN(C(=O)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C1CCCCC1 ZINC000267080024 1434406189 /nfs/dbraw/zinc/40/61/89/1434406189.db2.gz KEEYTJLJMGMDBI-UHFFFAOYSA-N 1 0 379.508 3.344 20 30 GGEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCCN(CC#N)C2)c1 ZINC000267144413 1434410418 /nfs/dbraw/zinc/41/04/18/1434410418.db2.gz ZLUIYELVASMXAA-JOCHJYFZSA-N 1 0 390.531 3.284 20 30 GGEDRO C[NH+]1CCC(O)(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000267161913 1434411529 /nfs/dbraw/zinc/41/15/29/1434411529.db2.gz SUXMAFNEAQJOBL-UHFFFAOYSA-N 1 0 399.878 3.190 20 30 GGEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000267280132 1434418914 /nfs/dbraw/zinc/41/89/14/1434418914.db2.gz GRGSKJFVASNVGW-INIZCTEOSA-N 1 0 389.569 3.228 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000267337285 1434424018 /nfs/dbraw/zinc/42/40/18/1434424018.db2.gz BZIOOYVLZBTNEQ-UHFFFAOYSA-N 1 0 380.496 3.449 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000267382288 1434427833 /nfs/dbraw/zinc/42/78/33/1434427833.db2.gz KRCZUCPDUZCJCO-UHFFFAOYSA-N 1 0 396.520 3.305 20 30 GGEDRO COCCOc1c(Cl)cccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000267404339 1434429751 /nfs/dbraw/zinc/42/97/51/1434429751.db2.gz PAUKHYSUODMRTG-UHFFFAOYSA-N 1 0 382.892 3.064 20 30 GGEDRO COc1cc(OC)cc([C@@H](O)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000267433852 1434432555 /nfs/dbraw/zinc/43/25/55/1434432555.db2.gz NDQTXVORUMAIIX-INIZCTEOSA-N 1 0 399.369 3.063 20 30 GGEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2c(F)cccc2F)N(C)C)cc1OC ZINC000267435064 1434432591 /nfs/dbraw/zinc/43/25/91/1434432591.db2.gz NQMNBLCOIFVGFI-OAHLLOKOSA-N 1 0 378.423 3.012 20 30 GGEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000267546848 1434445103 /nfs/dbraw/zinc/44/51/03/1434445103.db2.gz BUIIEYROPCAYKZ-CJNGLKHVSA-N 1 0 385.489 3.402 20 30 GGEDRO COC(=O)CC1([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCOCC1 ZINC000267677060 1434454729 /nfs/dbraw/zinc/45/47/29/1434454729.db2.gz OWEIZZMBBDOGTJ-UHFFFAOYSA-N 1 0 394.471 3.339 20 30 GGEDRO N#CC1(NC(=O)CN(Cc2ccccc2)C[C@@H](O)c2ccco2)CCCCC1 ZINC000267700022 1434456405 /nfs/dbraw/zinc/45/64/05/1434456405.db2.gz ISUBBTGHGYTVHN-LJQANCHMSA-N 1 0 381.476 3.158 20 30 GGEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-n2cccn2)cc1 ZINC000267725578 1434458977 /nfs/dbraw/zinc/45/89/77/1434458977.db2.gz VSRNNFJRWJBHQB-RDTXWAMCSA-N 1 0 377.473 3.262 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1csc([C@H](C)OC)n1)C(C)C ZINC000267732094 1434459308 /nfs/dbraw/zinc/45/93/08/1434459308.db2.gz ADTRXUMAIZPKPQ-RDJZCZTQSA-N 1 0 380.558 3.348 20 30 GGEDRO COC(=O)c1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000268102786 1434494653 /nfs/dbraw/zinc/49/46/53/1434494653.db2.gz APOUTZOMAPGDEV-UHFFFAOYSA-N 1 0 383.473 3.257 20 30 GGEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000268150485 1434497917 /nfs/dbraw/zinc/49/79/17/1434497917.db2.gz GSCURSARGVSTMM-GOSISDBHSA-N 1 0 381.476 3.438 20 30 GGEDRO CCc1nnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c(C#N)c1CC ZINC000268157683 1434498370 /nfs/dbraw/zinc/49/83/70/1434498370.db2.gz GIPSTKHAAPGBJJ-LBPRGKRZSA-N 1 0 383.525 3.018 20 30 GGEDRO C[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@H]1[NH+](C)C ZINC000268273375 1434507095 /nfs/dbraw/zinc/50/70/95/1434507095.db2.gz WSZHBEKOYIPOKJ-FOIQADDNSA-N 1 0 391.475 3.224 20 30 GGEDRO C[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@@H]1[NH+](C)C ZINC000268273381 1434507133 /nfs/dbraw/zinc/50/71/33/1434507133.db2.gz WSZHBEKOYIPOKJ-YWZLYKJASA-N 1 0 391.475 3.224 20 30 GGEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C3(C)OCCO3)CC2)cc1 ZINC000268423498 1434521427 /nfs/dbraw/zinc/52/14/27/1434521427.db2.gz BQMXYLNXQLDGRB-GOSISDBHSA-N 1 0 385.508 3.105 20 30 GGEDRO Cc1cc(C(=O)C(C(=S)NC2CC2)[n+]2cccc(CO)c2)c(Cl)cc1F ZINC000268437515 1434522783 /nfs/dbraw/zinc/52/27/83/1434522783.db2.gz KOLLXVNXEKHASZ-UHFFFAOYSA-O 1 0 393.891 3.258 20 30 GGEDRO C=CCOc1ccc(C[N@@H+](C[C@H](O)COC2CCOCC2)C(C)(C)C)cc1 ZINC000268474430 1434525893 /nfs/dbraw/zinc/52/58/93/1434525893.db2.gz IYVPIEXBZIPEFY-IBGZPJMESA-N 1 0 377.525 3.408 20 30 GGEDRO Cc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)[nH]1 ZINC000268498248 1434527844 /nfs/dbraw/zinc/52/78/44/1434527844.db2.gz RSGSALQVAAAACQ-CQSZACIVSA-N 1 0 398.536 3.133 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)CC1 ZINC000268533064 1434530837 /nfs/dbraw/zinc/53/08/37/1434530837.db2.gz FTKSOZVDANLDSE-HNNXBMFYSA-N 1 0 383.496 3.310 20 30 GGEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)cc1 ZINC000268850683 1434564511 /nfs/dbraw/zinc/56/45/11/1434564511.db2.gz QMLXKNQYKLNLJV-LJQANCHMSA-N 1 0 391.515 3.218 20 30 GGEDRO N#Cc1ccnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268889420 1434567960 /nfs/dbraw/zinc/56/79/60/1434567960.db2.gz XWNWALKXRCJFNN-OALUTQOASA-N 1 0 377.448 3.352 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(Cl)c1 ZINC000269078355 1434588917 /nfs/dbraw/zinc/58/89/17/1434588917.db2.gz HFOQFNVSSZWLFY-IBGZPJMESA-N 1 0 396.878 3.103 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1C(F)(F)F ZINC000269118888 1434594225 /nfs/dbraw/zinc/59/42/25/1434594225.db2.gz IZRPPPLHIFJYET-DLBZAZTESA-N 1 0 396.413 3.076 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000269140624 1434596611 /nfs/dbraw/zinc/59/66/11/1434596611.db2.gz OCKGGZVJDNETCN-ROUUACIJSA-N 1 0 376.888 3.101 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NCCCCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000269140092 1434596662 /nfs/dbraw/zinc/59/66/62/1434596662.db2.gz YJXWRZFQNATZIX-UHFFFAOYSA-N 1 0 390.915 3.313 20 30 GGEDRO N#Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000269140622 1434596678 /nfs/dbraw/zinc/59/66/78/1434596678.db2.gz OCKGGZVJDNETCN-MSOLQXFVSA-N 1 0 376.888 3.101 20 30 GGEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(Cl)c1 ZINC000269146797 1434597378 /nfs/dbraw/zinc/59/73/78/1434597378.db2.gz PPYQBRDESDEMFV-HKUYNNGSSA-N 1 0 398.894 3.216 20 30 GGEDRO CCC(CC)n1ccc(CON=C(N)c2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000269307495 1434620813 /nfs/dbraw/zinc/62/08/13/1434620813.db2.gz FCUBXGQVWBRDRS-UHFFFAOYSA-N 1 0 399.539 3.038 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)CC1 ZINC000269551895 1434658857 /nfs/dbraw/zinc/65/88/57/1434658857.db2.gz YALMLEPAMMNZSU-UHFFFAOYSA-N 1 0 395.887 3.054 20 30 GGEDRO COc1ccc(OC)c([C@@H](O)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000269613164 1434663533 /nfs/dbraw/zinc/66/35/33/1434663533.db2.gz KQLLNODQJBZLAH-AWEZNQCLSA-N 1 0 399.369 3.063 20 30 GGEDRO COc1cc(OC)cc([C@H](O)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000269657116 1434667102 /nfs/dbraw/zinc/66/71/02/1434667102.db2.gz VLYANIRASHICIC-OAHLLOKOSA-N 1 0 399.369 3.063 20 30 GGEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1C#N ZINC000269664425 1434667720 /nfs/dbraw/zinc/66/77/20/1434667720.db2.gz PROJJFPLGILXLU-UHFFFAOYSA-N 1 0 393.443 3.146 20 30 GGEDRO Cc1cc[n+](C(C(=O)c2ccc(F)c(C)c2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000269698107 1434670198 /nfs/dbraw/zinc/67/01/98/1434670198.db2.gz KSFBSXKAQARJNG-INIZCTEOSA-O 1 0 387.500 3.295 20 30 GGEDRO CN(C(=O)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000269705779 1434670817 /nfs/dbraw/zinc/67/08/17/1434670817.db2.gz NOLZJPPDGKUPQY-UHFFFAOYSA-N 1 0 390.487 3.262 20 30 GGEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)c(C)c2)C(=S)NC[C@H]2CCOC2)c1 ZINC000269731490 1434672505 /nfs/dbraw/zinc/67/25/05/1434672505.db2.gz XTFDVWPASJOTFK-MRXNPFEDSA-O 1 0 387.500 3.295 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1C#N ZINC000269856552 1434682016 /nfs/dbraw/zinc/68/20/16/1434682016.db2.gz SPNKQJRZQIEBPR-HNNXBMFYSA-N 1 0 387.484 3.226 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000269951631 1434689458 /nfs/dbraw/zinc/68/94/58/1434689458.db2.gz JDUVBWCHRIIOLJ-NLEAXPPASA-N 1 0 397.519 3.268 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000269951637 1434689575 /nfs/dbraw/zinc/68/95/75/1434689575.db2.gz JDUVBWCHRIIOLJ-ZCLUNYJNSA-N 1 0 397.519 3.268 20 30 GGEDRO C#CC[C@H](NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000270163251 1434708614 /nfs/dbraw/zinc/70/86/14/1434708614.db2.gz AKZBZKDWFJNTHR-QHCPKHFHSA-N 1 0 390.531 3.495 20 30 GGEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC)OCC ZINC000270229437 1434715209 /nfs/dbraw/zinc/71/52/09/1434715209.db2.gz VACCWBZSGUCQAG-LJQANCHMSA-N 1 0 375.513 3.147 20 30 GGEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000270303644 1434721549 /nfs/dbraw/zinc/72/15/49/1434721549.db2.gz ZLZRIBTZZKUQQQ-UHFFFAOYSA-N 1 0 378.476 3.077 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000270397249 1434730060 /nfs/dbraw/zinc/73/00/60/1434730060.db2.gz YSRFCZJVHMYFTB-UHFFFAOYSA-N 1 0 392.507 3.301 20 30 GGEDRO C#CC[C@H](NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000270411474 1434731319 /nfs/dbraw/zinc/73/13/19/1434731319.db2.gz LMNFFGILEJMMTH-JQVVWYNYSA-N 1 0 383.536 3.282 20 30 GGEDRO N#CCOc1cccc(CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000270426141 1434732148 /nfs/dbraw/zinc/73/21/48/1434732148.db2.gz ASAGQHPURDYPRB-UHFFFAOYSA-N 1 0 389.499 3.181 20 30 GGEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000270428466 1434732216 /nfs/dbraw/zinc/73/22/16/1434732216.db2.gz BVBSJDCXAMHNME-UHFFFAOYSA-N 1 0 395.503 3.168 20 30 GGEDRO C=CCOc1cccc(NC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000270493011 1434738741 /nfs/dbraw/zinc/73/87/41/1434738741.db2.gz LQRJVTVPKVTKDS-UHFFFAOYSA-N 1 0 386.540 3.274 20 30 GGEDRO C#CC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000270510618 1434740119 /nfs/dbraw/zinc/74/01/19/1434740119.db2.gz RNRVFCSMFLLSFD-HSZRJFAPSA-N 1 0 391.515 3.207 20 30 GGEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000270612470 1434750588 /nfs/dbraw/zinc/75/05/88/1434750588.db2.gz NPFJQFCRJPGQRX-UHFFFAOYSA-N 1 0 389.931 3.234 20 30 GGEDRO COc1ccc(CNC(=[NH2+])NCCc2csc(C(C)(C)C)n2)cc1OC ZINC000270751719 1434769787 /nfs/dbraw/zinc/76/97/87/1434769787.db2.gz AOLCCRUHAPFWSS-UHFFFAOYSA-N 1 0 376.526 3.105 20 30 GGEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000270951216 1434790367 /nfs/dbraw/zinc/79/03/67/1434790367.db2.gz XMNKKPTZJASPHZ-PMACEKPBSA-N 1 0 386.540 3.225 20 30 GGEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(C)n(CCC#N)n3)c(C)c2)CC1 ZINC000271033711 1434797296 /nfs/dbraw/zinc/79/72/96/1434797296.db2.gz IULMGSUJIYMEQM-UHFFFAOYSA-N 1 0 395.511 3.200 20 30 GGEDRO COc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c([N+](=O)[O-])cc1O ZINC000271091989 1434801357 /nfs/dbraw/zinc/80/13/57/1434801357.db2.gz VJWDLKLVYPBJJO-UHFFFAOYSA-N 1 0 398.419 3.055 20 30 GGEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC4(CNC(=O)C4)CC3)c2)c1 ZINC000271165468 1434805858 /nfs/dbraw/zinc/80/58/58/1434805858.db2.gz FRTMTUGDTNOSNY-UHFFFAOYSA-N 1 0 375.472 3.239 20 30 GGEDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000271184261 1434806854 /nfs/dbraw/zinc/80/68/54/1434806854.db2.gz MGKVGUGOVSZIQJ-LJQANCHMSA-N 1 0 378.476 3.239 20 30 GGEDRO C=CCOc1cccc(C[N@H+]2CCCN(Cc3nc([C@H](C)OC)no3)CC2)c1 ZINC000271225684 1434809311 /nfs/dbraw/zinc/80/93/11/1434809311.db2.gz ALDBEKZJZKMXMX-KRWDZBQOSA-N 1 0 386.496 3.050 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 ZINC000271310213 1434815049 /nfs/dbraw/zinc/81/50/49/1434815049.db2.gz QVWWVZFAXZFDET-UHFFFAOYSA-N 1 0 378.476 3.014 20 30 GGEDRO C#CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000271426649 1434823634 /nfs/dbraw/zinc/82/36/34/1434823634.db2.gz COUNNFXFSVUPGA-AVRDEDQJSA-N 1 0 398.528 3.123 20 30 GGEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1 ZINC000271434079 1434824569 /nfs/dbraw/zinc/82/45/69/1434824569.db2.gz FHCKGJPNWFESCZ-OAHLLOKOSA-N 1 0 383.448 3.113 20 30 GGEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000271457851 1434826470 /nfs/dbraw/zinc/82/64/70/1434826470.db2.gz HABPLSOUVBGWFK-AVRDEDQJSA-N 1 0 398.528 3.123 20 30 GGEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000271547523 1434833823 /nfs/dbraw/zinc/83/38/23/1434833823.db2.gz RQHYOQAMAVPQJO-MRXNPFEDSA-N 1 0 378.494 3.001 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000271613213 1434839179 /nfs/dbraw/zinc/83/91/79/1434839179.db2.gz BNNGVGJADYMOQF-QGZVFWFLSA-N 1 0 390.487 3.086 20 30 GGEDRO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271627883 1434840079 /nfs/dbraw/zinc/84/00/79/1434840079.db2.gz DXOMKMZXNZWPGK-MRXNPFEDSA-N 1 0 378.476 3.233 20 30 GGEDRO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000271643002 1434841341 /nfs/dbraw/zinc/84/13/41/1434841341.db2.gz HJYAGRHZQAOQCU-OAHLLOKOSA-N 1 0 385.489 3.031 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000271653624 1434842081 /nfs/dbraw/zinc/84/20/81/1434842081.db2.gz JPJDYIDHINJZCX-OXQOHEQNSA-N 1 0 391.471 3.344 20 30 GGEDRO C#CC[C@H]([NH2+]CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000271653866 1434842123 /nfs/dbraw/zinc/84/21/23/1434842123.db2.gz BTYSBHPDPNDIPK-QFIPXVFZSA-N 1 0 395.547 3.028 20 30 GGEDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)nc2nc(C(F)(F)F)nn21 ZINC000271656069 1434842355 /nfs/dbraw/zinc/84/23/55/1434842355.db2.gz JYMYCMCQNKFJTA-LLVKDONJSA-N 1 0 390.369 3.264 20 30 GGEDRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000271659863 1434842501 /nfs/dbraw/zinc/84/25/01/1434842501.db2.gz KVHJZRHPHJLMFW-INIZCTEOSA-N 1 0 378.476 3.330 20 30 GGEDRO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000271659867 1434842532 /nfs/dbraw/zinc/84/25/32/1434842532.db2.gz KVHJZRHPHJLMFW-MRXNPFEDSA-N 1 0 378.476 3.330 20 30 GGEDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1 ZINC000271682808 1434843934 /nfs/dbraw/zinc/84/39/34/1434843934.db2.gz PENUNUVHVHYRTF-JOCHJYFZSA-N 1 0 395.503 3.272 20 30 GGEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000271693307 1434844663 /nfs/dbraw/zinc/84/46/63/1434844663.db2.gz RWHDTEGMYUOOEN-INIZCTEOSA-N 1 0 376.460 3.364 20 30 GGEDRO C#CC[C@H]([NH2+]CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000271703459 1434845149 /nfs/dbraw/zinc/84/51/49/1434845149.db2.gz NBJOJMNKOIDWEI-FQEVSTJZSA-N 1 0 377.488 3.021 20 30 GGEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000271712248 1434845711 /nfs/dbraw/zinc/84/57/11/1434845711.db2.gz OQQUGFXQXYJPNB-JOCHJYFZSA-N 1 0 389.499 3.218 20 30 GGEDRO N#Cc1cccc(C2([NH2+]CCC(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)c1 ZINC000271739235 1434847264 /nfs/dbraw/zinc/84/72/64/1434847264.db2.gz BUDDRGFUDQMLSP-UHFFFAOYSA-N 1 0 388.471 3.293 20 30 GGEDRO COc1cc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)ccc1OCc1ccncc1 ZINC000271789185 1434850782 /nfs/dbraw/zinc/85/07/82/1434850782.db2.gz QFVWMUDUASMDCZ-QGZVFWFLSA-N 1 0 396.491 3.082 20 30 GGEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c(C#N)c1C ZINC000271791955 1434851028 /nfs/dbraw/zinc/85/10/28/1434851028.db2.gz IFKWXRWHWAHXFL-LBPRGKRZSA-N 1 0 382.489 3.045 20 30 GGEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000271803132 1434851724 /nfs/dbraw/zinc/85/17/24/1434851724.db2.gz SHIWICLVEYRFMU-KRWDZBQOSA-N 1 0 396.491 3.082 20 30 GGEDRO COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000271815707 1434852462 /nfs/dbraw/zinc/85/24/62/1434852462.db2.gz RLAGHNIUKPRKJA-HNNXBMFYSA-N 1 0 379.460 3.032 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](CCCO)c2ccccc2)c(OC)c1 ZINC000271832980 1434853471 /nfs/dbraw/zinc/85/34/71/1434853471.db2.gz UQQFRCHKJONVIJ-LEWJYISDSA-N 1 0 385.504 3.267 20 30 GGEDRO C[C@@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000271834886 1434853673 /nfs/dbraw/zinc/85/36/73/1434853673.db2.gz FSTFANUUFVWYBV-DYESRHJHSA-N 1 0 393.487 3.083 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](CCCO)c2ccccc2)c(OC)c1 ZINC000271832986 1434853692 /nfs/dbraw/zinc/85/36/92/1434853692.db2.gz UQQFRCHKJONVIJ-SFTDATJTSA-N 1 0 385.504 3.267 20 30 GGEDRO CCOC(=O)COc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271837997 1434853908 /nfs/dbraw/zinc/85/39/08/1434853908.db2.gz GKIDOXLJVQMOAU-KRWDZBQOSA-N 1 0 382.460 3.424 20 30 GGEDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000271837900 1434853952 /nfs/dbraw/zinc/85/39/52/1434853952.db2.gz GFLCAPBSRWUXCT-JBZDTAIVSA-N 1 0 385.414 3.490 20 30 GGEDRO CCOC(=O)COc1ccc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271837999 1434853957 /nfs/dbraw/zinc/85/39/57/1434853957.db2.gz GKIDOXLJVQMOAU-QGZVFWFLSA-N 1 0 382.460 3.424 20 30 GGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C#N)c(F)c1 ZINC000271909446 1434858608 /nfs/dbraw/zinc/85/86/08/1434858608.db2.gz AFQGXIARPRGXCH-UONOGXRCSA-N 1 0 375.469 3.359 20 30 GGEDRO C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(OCC#N)cc1 ZINC000271912229 1434858796 /nfs/dbraw/zinc/85/87/96/1434858796.db2.gz YCABXLVXTFOVCL-KRWDZBQOSA-N 1 0 393.487 3.140 20 30 GGEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917367 1434859175 /nfs/dbraw/zinc/85/91/75/1434859175.db2.gz ZGQWVRSROSMQKB-AVCGJXAMSA-N 1 0 379.504 3.123 20 30 GGEDRO C[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271923104 1434859562 /nfs/dbraw/zinc/85/95/62/1434859562.db2.gz FRAYGPZZGCOCAN-KRWDZBQOSA-N 1 0 383.467 3.259 20 30 GGEDRO CC(C)C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271981062 1434863328 /nfs/dbraw/zinc/86/33/28/1434863328.db2.gz OWNBDTFJYYIMGM-YADHBBJMSA-N 1 0 398.551 3.369 20 30 GGEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)cc1 ZINC000271985101 1434863684 /nfs/dbraw/zinc/86/36/84/1434863684.db2.gz XXQLDPDKEFVEDX-UHFFFAOYSA-N 1 0 399.438 3.104 20 30 GGEDRO C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271984618 1434863732 /nfs/dbraw/zinc/86/37/32/1434863732.db2.gz ZXADZVLZNLWBJM-HNNXBMFYSA-N 1 0 381.451 3.248 20 30 GGEDRO C#CCC[NH+]1CCN(Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CC1 ZINC000271990549 1434864109 /nfs/dbraw/zinc/86/41/09/1434864109.db2.gz DUYVMAKZHBRHEV-UHFFFAOYSA-N 1 0 386.496 3.108 20 30 GGEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272014349 1434865877 /nfs/dbraw/zinc/86/58/77/1434865877.db2.gz BFRYQRBTUXYQTK-UHFFFAOYSA-N 1 0 398.511 3.148 20 30 GGEDRO C#CCCN1CC[NH+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032243 1434867522 /nfs/dbraw/zinc/86/75/22/1434867522.db2.gz PHGUVPREFNHVLV-DQEYMECFSA-N 1 0 392.543 3.103 20 30 GGEDRO Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1CCC#N ZINC000272036829 1434867837 /nfs/dbraw/zinc/86/78/37/1434867837.db2.gz FGGMDSHQWFWKSO-LPHOPBHVSA-N 1 0 380.496 3.280 20 30 GGEDRO Cc1cc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)nn1CCC#N ZINC000272047303 1434868726 /nfs/dbraw/zinc/86/87/26/1434868726.db2.gz GVPLGKBELYFRQV-UHFFFAOYSA-N 1 0 395.511 3.271 20 30 GGEDRO Cc1cc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272052120 1434868847 /nfs/dbraw/zinc/86/88/47/1434868847.db2.gz HPPNRGSTUZVLAH-IBGZPJMESA-N 1 0 380.496 3.234 20 30 GGEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272059980 1434869501 /nfs/dbraw/zinc/86/95/01/1434869501.db2.gz IRQUYGCYODSMQA-HXUWFJFHSA-N 1 0 394.523 3.481 20 30 GGEDRO Cn1cc(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000272100193 1434871972 /nfs/dbraw/zinc/87/19/72/1434871972.db2.gz GMRKDJGQXMNTNG-UHFFFAOYSA-N 1 0 385.471 3.141 20 30 GGEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)[NH+]1CCCC1 ZINC000272108771 1434872559 /nfs/dbraw/zinc/87/25/59/1434872559.db2.gz PWNYLUZMVXPRJQ-GOSISDBHSA-N 1 0 396.495 3.072 20 30 GGEDRO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1CCC#N ZINC000272121682 1434873496 /nfs/dbraw/zinc/87/34/96/1434873496.db2.gz SIOFOYWMBGKXQA-GOSISDBHSA-N 1 0 380.496 3.234 20 30 GGEDRO Cc1cc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)nn1CCC#N ZINC000272125545 1434873867 /nfs/dbraw/zinc/87/38/67/1434873867.db2.gz TWDMLFBJSUDPFB-UHFFFAOYSA-N 1 0 386.525 3.200 20 30 GGEDRO COc1ccc([C@@H](CNC(=O)Nc2cc(C)n(CCC#N)n2)[NH+]2CCCC2)cc1 ZINC000272142444 1434874456 /nfs/dbraw/zinc/87/44/56/1434874456.db2.gz WOMPMWVUTSSVGF-LJQANCHMSA-N 1 0 396.495 3.072 20 30 GGEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000272147880 1434874834 /nfs/dbraw/zinc/87/48/34/1434874834.db2.gz BEECKNUZQSLDRV-HSZRJFAPSA-N 1 0 399.498 3.184 20 30 GGEDRO COC(=O)[C@H](N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000272183086 1434876491 /nfs/dbraw/zinc/87/64/91/1434876491.db2.gz ITQOJLVGRACYHT-VOQZNFBZSA-N 1 0 377.488 3.273 20 30 GGEDRO Cc1noc(C2CCC([NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000272198809 1434877567 /nfs/dbraw/zinc/87/75/67/1434877567.db2.gz LZYCXUVSJRCLJU-TVPLGVNVSA-N 1 0 379.464 3.061 20 30 GGEDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)c1 ZINC000272206624 1434878024 /nfs/dbraw/zinc/87/80/24/1434878024.db2.gz ZGNWQQNBSVKQBQ-HXUWFJFHSA-N 1 0 387.487 3.336 20 30 GGEDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000272262813 1434882399 /nfs/dbraw/zinc/88/23/99/1434882399.db2.gz BLLKVERQTCWNJU-UHFFFAOYSA-N 1 0 393.487 3.316 20 30 GGEDRO C=CC[N@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)CCc1ccco1 ZINC000272315250 1434886860 /nfs/dbraw/zinc/88/68/60/1434886860.db2.gz SKBGFDYYJCFEDY-UHFFFAOYSA-N 1 0 388.464 3.365 20 30 GGEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@@H]2C1 ZINC000272380243 1434892108 /nfs/dbraw/zinc/89/21/08/1434892108.db2.gz BRQYKYPGZJMHRP-DENIHFKCSA-N 1 0 375.472 3.303 20 30 GGEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@H]2C1 ZINC000272380247 1434892187 /nfs/dbraw/zinc/89/21/87/1434892187.db2.gz BRQYKYPGZJMHRP-KNQAVFIVSA-N 1 0 375.472 3.303 20 30 GGEDRO C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272471197 1434898695 /nfs/dbraw/zinc/89/86/95/1434898695.db2.gz TUIUMVBYXWMWGW-GHTZIAJQSA-N 1 0 392.503 3.299 20 30 GGEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(CCC(F)(F)F)CC3)C2=O)cc1 ZINC000272485833 1434899839 /nfs/dbraw/zinc/89/98/39/1434899839.db2.gz BRFWBTMVSCWSCM-GOSISDBHSA-N 1 0 394.441 3.060 20 30 GGEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000272489331 1434899919 /nfs/dbraw/zinc/89/99/19/1434899919.db2.gz MYERYLLTXXHGLU-RDJZCZTQSA-N 1 0 386.496 3.122 20 30 GGEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000272540143 1434906071 /nfs/dbraw/zinc/90/60/71/1434906071.db2.gz ROZRIMLIJVJMCW-WBVHZDCISA-N 1 0 386.496 3.122 20 30 GGEDRO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c(C)n2n1 ZINC000272574412 1434909471 /nfs/dbraw/zinc/90/94/71/1434909471.db2.gz POMCIGGKMHRPIQ-YWZLYKJASA-N 1 0 388.475 3.064 20 30 GGEDRO CCc1noc(C2CCC([NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000272577951 1434910072 /nfs/dbraw/zinc/91/00/72/1434910072.db2.gz QBUPJFSCQHKDAD-TVPLGVNVSA-N 1 0 393.491 3.315 20 30 GGEDRO COCC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000272613714 1434915125 /nfs/dbraw/zinc/91/51/25/1434915125.db2.gz VXKRDJYLJQVNJL-FQEVSTJZSA-N 1 0 396.491 3.146 20 30 GGEDRO CC1(C#N)CCN(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000272652180 1434919691 /nfs/dbraw/zinc/91/96/91/1434919691.db2.gz ZOJMKCCYVVEKGC-IBGZPJMESA-N 1 0 388.943 3.219 20 30 GGEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000272674853 1434921592 /nfs/dbraw/zinc/92/15/92/1434921592.db2.gz LUTMCTLPJZNWLR-MRXNPFEDSA-N 1 0 378.476 3.198 20 30 GGEDRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000272930027 1434941803 /nfs/dbraw/zinc/94/18/03/1434941803.db2.gz ZIYXYUXPJFRYFP-YLJYHZDGSA-N 1 0 385.508 3.201 20 30 GGEDRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000272983346 1434946442 /nfs/dbraw/zinc/94/64/42/1434946442.db2.gz LJTCPHVPXCLASO-JTSKRJEESA-N 1 0 392.503 3.075 20 30 GGEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)ccc1OC ZINC000273005127 1434949229 /nfs/dbraw/zinc/94/92/29/1434949229.db2.gz AUTZWCGNCKXXPA-HXUWFJFHSA-N 1 0 395.503 3.326 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000273052766 1434955575 /nfs/dbraw/zinc/95/55/75/1434955575.db2.gz CQXOFMYAUHAOSM-UHFFFAOYSA-N 1 0 393.487 3.434 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H](C)c2nccs2)c(OC)c1 ZINC000273097826 1434960643 /nfs/dbraw/zinc/96/06/43/1434960643.db2.gz VAABYDMRWGQXPW-RDJZCZTQSA-N 1 0 376.522 3.355 20 30 GGEDRO C[C@@H](CCNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000273116727 1434963251 /nfs/dbraw/zinc/96/32/51/1434963251.db2.gz FMFFYNWJWWYABA-IBGZPJMESA-N 1 0 384.524 3.094 20 30 GGEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000273125239 1434964069 /nfs/dbraw/zinc/96/40/69/1434964069.db2.gz UCHAKVCBWFQYSU-GOSISDBHSA-N 1 0 393.487 3.353 20 30 GGEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000273279662 1434977718 /nfs/dbraw/zinc/97/77/18/1434977718.db2.gz NSJZPHMEDBSXSI-HUUCEWRRSA-N 1 0 380.414 3.443 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)c2cnn(C)c2)c1C#N ZINC000273283748 1434978036 /nfs/dbraw/zinc/97/80/36/1434978036.db2.gz JBOZXLRGRXQQMX-CQSZACIVSA-N 1 0 394.454 3.128 20 30 GGEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](CCOC)c2ccco2)c(OC)c1 ZINC000273322656 1434980711 /nfs/dbraw/zinc/98/07/11/1434980711.db2.gz XFIUBBVHDJPOPP-ROUUACIJSA-N 1 0 375.465 3.124 20 30 GGEDRO Cc1ccnc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1C#N ZINC000273346407 1434982250 /nfs/dbraw/zinc/98/22/50/1434982250.db2.gz OMWMSJFCLQKSPR-UHFFFAOYSA-N 1 0 380.492 3.363 20 30 GGEDRO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273392091 1434985698 /nfs/dbraw/zinc/98/56/98/1434985698.db2.gz FJMYIFGICYZQOK-SFTDATJTSA-N 1 0 381.451 3.166 20 30 GGEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000273468179 1434990645 /nfs/dbraw/zinc/99/06/45/1434990645.db2.gz FEXVVPOEAHFCSO-ZFWWWQNUSA-N 1 0 392.525 3.183 20 30 GGEDRO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273538486 1434995487 /nfs/dbraw/zinc/99/54/87/1434995487.db2.gz SOEFTMBMGUDZRD-JAXLGGSGSA-N 1 0 384.451 3.289 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ccccc3)c(C)c2)CC1 ZINC000273815866 1435017688 /nfs/dbraw/zinc/01/76/88/1435017688.db2.gz DVQBZBJVSCZLDA-UHFFFAOYSA-N 1 0 377.488 3.367 20 30 GGEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000273886474 1435025274 /nfs/dbraw/zinc/02/52/74/1435025274.db2.gz SHROZRCUVIZALF-SLFFLAALSA-N 1 0 385.508 3.452 20 30 GGEDRO COCCOCCOCCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000274416395 1435069170 /nfs/dbraw/zinc/06/91/70/1435069170.db2.gz PMQMGMAPVUNHJS-UHFFFAOYSA-N 1 0 398.503 3.297 20 30 GGEDRO Cc1cc(NC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)nn1CCC#N ZINC000274445103 1435071531 /nfs/dbraw/zinc/07/15/31/1435071531.db2.gz UDDOYTGKBRJGGH-IBGZPJMESA-N 1 0 382.512 3.383 20 30 GGEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788820 1435092579 /nfs/dbraw/zinc/09/25/79/1435092579.db2.gz BOHAZDDEWPJURT-IRFCIJBXSA-N 1 0 382.552 3.218 20 30 GGEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796718 1435093243 /nfs/dbraw/zinc/09/32/43/1435093243.db2.gz DHEJYKRTBLRVFC-LQWHRVPQSA-N 1 0 376.504 3.385 20 30 GGEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C(=O)C(F)(F)F)CC1)C(C)C ZINC000274809555 1435094606 /nfs/dbraw/zinc/09/46/06/1435094606.db2.gz BLWIQQYCTIVBRV-INIZCTEOSA-N 1 0 389.462 3.238 20 30 GGEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000275144171 1435118906 /nfs/dbraw/zinc/11/89/06/1435118906.db2.gz PUEFSGFXXIEOQT-QFIPXVFZSA-N 1 0 393.487 3.035 20 30 GGEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000275247946 1435125593 /nfs/dbraw/zinc/12/55/93/1435125593.db2.gz PUUZOLQZGCIOEB-RBUKOAKNSA-N 1 0 384.480 3.104 20 30 GGEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](O)C(C)(C)C3)sc2C1 ZINC000275414349 1435137764 /nfs/dbraw/zinc/13/77/64/1435137764.db2.gz GPLPENCEZKICKI-SUMWQHHRSA-N 1 0 375.538 3.166 20 30 GGEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275624684 1435153864 /nfs/dbraw/zinc/15/38/64/1435153864.db2.gz SMXSXKHIEUICMR-UHFFFAOYSA-N 1 0 376.460 3.401 20 30 GGEDRO C[NH+](C)CCc1ccccc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000275709920 1435161839 /nfs/dbraw/zinc/16/18/39/1435161839.db2.gz UPCZPXUIYRYORY-UHFFFAOYSA-N 1 0 392.503 3.456 20 30 GGEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000275775118 1435167923 /nfs/dbraw/zinc/16/79/23/1435167923.db2.gz WJCIVHOEYJGTSK-UHFFFAOYSA-N 1 0 397.475 3.159 20 30 GGEDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1(C)C ZINC000275792185 1435169791 /nfs/dbraw/zinc/16/97/91/1435169791.db2.gz JCSSXQPQBXZQTN-CTNGQTDRSA-N 1 0 376.497 3.033 20 30 GGEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275939896 1435181357 /nfs/dbraw/zinc/18/13/57/1435181357.db2.gz ZDGYEZKAIJZJQW-UHFFFAOYSA-N 1 0 381.476 3.469 20 30 GGEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000276048929 1435187621 /nfs/dbraw/zinc/18/76/21/1435187621.db2.gz XYADDKHIWVXWJH-UHFFFAOYSA-N 1 0 395.503 3.114 20 30 GGEDRO COCCOc1ccc(C#N)cc1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276151647 1435194355 /nfs/dbraw/zinc/19/43/55/1435194355.db2.gz PXBCWMPMVCNWMW-UHFFFAOYSA-N 1 0 396.491 3.009 20 30 GGEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276245469 1435199829 /nfs/dbraw/zinc/19/98/29/1435199829.db2.gz KUUOKLKYWOQWTH-UHFFFAOYSA-N 1 0 394.519 3.021 20 30 GGEDRO C#CCOc1cccc(NC(=O)C(=O)Nc2cccc(C[NH+](CC)CC)c2)c1 ZINC000276301564 1435203285 /nfs/dbraw/zinc/20/32/85/1435203285.db2.gz RHYQHQZPVDRZFA-UHFFFAOYSA-N 1 0 379.460 3.118 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000276381011 1435208100 /nfs/dbraw/zinc/20/81/00/1435208100.db2.gz YZIGNFKEXYKDBL-UHFFFAOYSA-N 1 0 380.492 3.028 20 30 GGEDRO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH+](Cc1cc(C#N)n(C)c1)CC2 ZINC000276796810 1435233201 /nfs/dbraw/zinc/23/32/01/1435233201.db2.gz UVFOTZUANFQYKP-HXUWFJFHSA-N 1 0 382.533 3.361 20 30 GGEDRO C=CCc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc(OC)c1O ZINC000276991217 1435250287 /nfs/dbraw/zinc/25/02/87/1435250287.db2.gz IHJIYLDMQRPVLL-UHFFFAOYSA-N 1 0 395.908 3.476 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000277152347 1435269572 /nfs/dbraw/zinc/26/95/72/1435269572.db2.gz DXDMRBGGBJGLHT-UHFFFAOYSA-N 1 0 390.553 3.286 20 30 GGEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H]([NH+](C)C)CC2)ccc1Cl ZINC000277315639 1435293199 /nfs/dbraw/zinc/29/31/99/1435293199.db2.gz UVTYXWSFHWHBDO-QGZVFWFLSA-N 1 0 376.932 3.311 20 30 GGEDRO N#CCOc1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000277418282 1435303378 /nfs/dbraw/zinc/30/33/78/1435303378.db2.gz GYUQQYZNRVOAON-OAQYLSRUSA-N 1 0 394.475 3.002 20 30 GGEDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccccc2-c2ccccc2C#N)CCCO1 ZINC000277523424 1435310474 /nfs/dbraw/zinc/31/04/74/1435310474.db2.gz LEOVQQZHGCIPFV-SFHVURJKSA-N 1 0 377.488 3.456 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000277672247 1435320869 /nfs/dbraw/zinc/32/08/69/1435320869.db2.gz FTFHZQOGMVJLCZ-YJBOKZPZSA-N 1 0 378.398 3.094 20 30 GGEDRO Cn1cc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000277672244 1435320903 /nfs/dbraw/zinc/32/09/03/1435320903.db2.gz FTFHZQOGMVJLCZ-QAPCUYQASA-N 1 0 378.398 3.094 20 30 GGEDRO CCOC(=O)Nc1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1C#N ZINC000278094440 1435358532 /nfs/dbraw/zinc/35/85/32/1435358532.db2.gz IQQSLCGCABXVQW-UHFFFAOYSA-N 1 0 385.468 3.123 20 30 GGEDRO CC(C)(C)OC(=O)NCCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000278238765 1435372575 /nfs/dbraw/zinc/37/25/75/1435372575.db2.gz NRFWNBDJGUULHY-UHFFFAOYSA-N 1 0 386.496 3.124 20 30 GGEDRO COC(=O)c1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(C)c2)cc1 ZINC000278239482 1435372582 /nfs/dbraw/zinc/37/25/82/1435372582.db2.gz LEOXLKZLHCPEQR-UHFFFAOYSA-O 1 0 385.509 3.396 20 30 GGEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278282661 1435376231 /nfs/dbraw/zinc/37/62/31/1435376231.db2.gz KGRIDVZRTODNFU-OAHLLOKOSA-N 1 0 397.441 3.309 20 30 GGEDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000278401750 1435387789 /nfs/dbraw/zinc/38/77/89/1435387789.db2.gz WQBSZJBMRXPMPX-UGKGYDQZSA-N 1 0 380.488 3.071 20 30 GGEDRO N#CCCn1cc(C[NH2+]Cc2ccc(C3OCCO3)cc2)c(-c2ccncc2)n1 ZINC000278555349 1435399729 /nfs/dbraw/zinc/39/97/29/1435399729.db2.gz BWUQMVIQWAZLJH-UHFFFAOYSA-N 1 0 389.459 3.194 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCCn2cnc3ccccc32)c(-c2ccncc2)n1 ZINC000278590968 1435403063 /nfs/dbraw/zinc/40/30/63/1435403063.db2.gz GUUQYNCYUXAZOE-UHFFFAOYSA-N 1 0 385.475 3.388 20 30 GGEDRO CN(C)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000278597317 1435403603 /nfs/dbraw/zinc/40/36/03/1435403603.db2.gz HMXDPCIUVFLQFZ-UHFFFAOYSA-N 1 0 378.455 3.354 20 30 GGEDRO C[C@@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)NC(=O)OC(C)(C)C ZINC000278612201 1435405578 /nfs/dbraw/zinc/40/55/78/1435405578.db2.gz ITTYVXIFTBXVBM-INIZCTEOSA-N 1 0 398.511 3.252 20 30 GGEDRO COc1ccccc1N(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000278615118 1435405778 /nfs/dbraw/zinc/40/57/78/1435405778.db2.gz RXJRXSKMPYCRCB-UHFFFAOYSA-N 1 0 399.516 3.165 20 30 GGEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccs1 ZINC000278621736 1435406783 /nfs/dbraw/zinc/40/67/83/1435406783.db2.gz JTVBUCHQBPPBMN-GOSISDBHSA-N 1 0 380.521 3.313 20 30 GGEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OCC3CC3)nc2)c(-c2ccncc2)n1 ZINC000278626252 1435407056 /nfs/dbraw/zinc/40/70/56/1435407056.db2.gz KFFJMTRVMUZJSP-UHFFFAOYSA-N 1 0 388.475 3.332 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000278630383 1435407584 /nfs/dbraw/zinc/40/75/84/1435407584.db2.gz KMTDXVCVBUIQAV-IBGZPJMESA-N 1 0 386.503 3.475 20 30 GGEDRO CCOC(=O)N[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC(C)C ZINC000278650692 1435410095 /nfs/dbraw/zinc/41/00/95/1435410095.db2.gz MJPRPVBVBWIOCQ-IBGZPJMESA-N 1 0 398.511 3.109 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC000278687122 1435414121 /nfs/dbraw/zinc/41/41/21/1435414121.db2.gz BJWGLHHKVABCEQ-SFHVURJKSA-N 1 0 381.524 3.177 20 30 GGEDRO C[C@H]1C[C@H](C)C[NH+](CCCNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278690153 1435414508 /nfs/dbraw/zinc/41/45/08/1435414508.db2.gz PVTIKVWCXCSDRQ-OALUTQOASA-N 1 0 380.540 3.316 20 30 GGEDRO N#CCCn1cc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c(-c2ccncc2)n1 ZINC000278719891 1435416939 /nfs/dbraw/zinc/41/69/39/1435416939.db2.gz SUCXOXQRNZRRBN-FQEVSTJZSA-N 1 0 395.507 3.414 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(-c2ccncc2)n1 ZINC000278724285 1435417526 /nfs/dbraw/zinc/41/75/26/1435417526.db2.gz TVJZQYVNYSEZRE-UHFFFAOYSA-N 1 0 376.420 3.099 20 30 GGEDRO N#CCCn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(-c2ccncc2)n1 ZINC000278752858 1435420286 /nfs/dbraw/zinc/42/02/86/1435420286.db2.gz WNUSEZQBIIVWQC-UHFFFAOYSA-N 1 0 376.420 3.099 20 30 GGEDRO COCCOc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278778675 1435422886 /nfs/dbraw/zinc/42/28/86/1435422886.db2.gz YZHYICSKWUFZAS-UHFFFAOYSA-N 1 0 391.475 3.174 20 30 GGEDRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(C#N)cc1 ZINC000278799655 1435424835 /nfs/dbraw/zinc/42/48/35/1435424835.db2.gz QZXMQYVRGTWMGQ-INIZCTEOSA-N 1 0 389.443 3.161 20 30 GGEDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(C#N)cc1 ZINC000278841759 1435429894 /nfs/dbraw/zinc/42/98/94/1435429894.db2.gz UWBQLBGYYUOYIV-LJQANCHMSA-N 1 0 381.476 3.275 20 30 GGEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000278940196 1435442536 /nfs/dbraw/zinc/44/25/36/1435442536.db2.gz XMQIBOBUMJOWQC-ZDUSSCGKSA-N 1 0 396.413 3.294 20 30 GGEDRO N#Cc1cccc(-c2cc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)on2)c1 ZINC000279079901 1435458367 /nfs/dbraw/zinc/45/83/67/1435458367.db2.gz QZYBCLOVZQQREL-UHFFFAOYSA-N 1 0 387.443 3.003 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C)C1 ZINC000279110778 1435461509 /nfs/dbraw/zinc/46/15/09/1435461509.db2.gz UUTWUDWTUWPOGP-QFBILLFUSA-N 1 0 396.491 3.080 20 30 GGEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H](C)C1 ZINC000279110769 1435461521 /nfs/dbraw/zinc/46/15/21/1435461521.db2.gz UUTWUDWTUWPOGP-APWZRJJASA-N 1 0 396.491 3.080 20 30 GGEDRO C=C(C)[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000279117304 1435461967 /nfs/dbraw/zinc/46/19/67/1435461967.db2.gz WOPOFGZYDFYIDV-YWZLYKJASA-N 1 0 393.478 3.477 20 30 GGEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc([C@@H]2CCCO2)nn1C)C(C)C ZINC000279128547 1435462963 /nfs/dbraw/zinc/46/29/63/1435462963.db2.gz YPLWRYMVZIKJNP-MSOLQXFVSA-N 1 0 375.517 3.092 20 30 GGEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCO1 ZINC000279157588 1435466115 /nfs/dbraw/zinc/46/61/15/1435466115.db2.gz ZMABUCQAUOUSFZ-SJORKVTESA-N 1 0 391.537 3.001 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)n1 ZINC000279220800 1435473059 /nfs/dbraw/zinc/47/30/59/1435473059.db2.gz LRIDCDFWZKDTCN-LJQANCHMSA-N 1 0 387.553 3.192 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)c1C#N ZINC000279233799 1435474833 /nfs/dbraw/zinc/47/48/33/1435474833.db2.gz JJFSLCFGBHPTRX-TZIWHRDSSA-N 1 0 394.519 3.104 20 30 GGEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)c1C#N ZINC000279287510 1435481972 /nfs/dbraw/zinc/48/19/72/1435481972.db2.gz PCANTRRFUNMMBH-OXQOHEQNSA-N 1 0 398.482 3.184 20 30 GGEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000279321547 1435486324 /nfs/dbraw/zinc/48/63/24/1435486324.db2.gz BTXGKCTZNAJPQZ-UHFFFAOYSA-N 1 0 382.439 3.100 20 30 GGEDRO N#CCCn1cc(C[N@@H+](CCCO)Cc2ccccc2)c(-c2ccncc2)n1 ZINC000279325342 1435486703 /nfs/dbraw/zinc/48/67/03/1435486703.db2.gz CCIZJOFYTAIVCH-UHFFFAOYSA-N 1 0 375.476 3.243 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)n1 ZINC000279334897 1435487775 /nfs/dbraw/zinc/48/77/75/1435487775.db2.gz ZQHCXHYZNBCAFY-UHFFFAOYSA-N 1 0 381.524 3.088 20 30 GGEDRO Cc1ccccc1N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279392539 1435494277 /nfs/dbraw/zinc/49/42/77/1435494277.db2.gz LMUKMKUUJYMDTQ-UHFFFAOYSA-N 1 0 386.503 3.489 20 30 GGEDRO C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000279404537 1435495518 /nfs/dbraw/zinc/49/55/18/1435495518.db2.gz HJANACBVTINNEG-PZJWPPBQSA-N 1 0 393.535 3.101 20 30 GGEDRO C=C[C@@](C)(O)CC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279413424 1435496623 /nfs/dbraw/zinc/49/66/23/1435496623.db2.gz KRBGWTCZKWWMIK-PKOBYXMFSA-N 1 0 384.442 3.227 20 30 GGEDRO COc1cc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)ccc1O ZINC000279422117 1435497560 /nfs/dbraw/zinc/49/75/60/1435497560.db2.gz PAWPCDXATLTJCB-UHFFFAOYSA-N 1 0 377.448 3.205 20 30 GGEDRO N#CCCn1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000279452522 1435500833 /nfs/dbraw/zinc/50/08/33/1435500833.db2.gz SVEMHMUTSROHCE-OAQYLSRUSA-N 1 0 378.524 3.309 20 30 GGEDRO Cc1ccc([C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000279453806 1435501215 /nfs/dbraw/zinc/50/12/15/1435501215.db2.gz GGGOWTLWNXNJRI-VQTJNVASSA-N 1 0 376.460 3.095 20 30 GGEDRO N#CCCn1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000279469863 1435502844 /nfs/dbraw/zinc/50/28/44/1435502844.db2.gz VKNVYAPTGPMQQT-UHFFFAOYSA-N 1 0 387.487 3.342 20 30 GGEDRO N#Cc1cccc(-c2cc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)on2)c1 ZINC000279571206 1435514214 /nfs/dbraw/zinc/51/42/14/1435514214.db2.gz VXTMBXDFTXIRCS-PXNSSMCTSA-N 1 0 376.460 3.302 20 30 GGEDRO N#Cc1cccc(-c2cc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)on2)c1 ZINC000279571234 1435514232 /nfs/dbraw/zinc/51/42/32/1435514232.db2.gz VXTMBXDFTXIRCS-YLJYHZDGSA-N 1 0 376.460 3.302 20 30 GGEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000279572513 1435514701 /nfs/dbraw/zinc/51/47/01/1435514701.db2.gz YWYIXVSFDXOSHM-UHFFFAOYSA-N 1 0 380.492 3.457 20 30 GGEDRO Cc1ccc(F)cc1-c1nnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s1 ZINC000279653252 1435524475 /nfs/dbraw/zinc/52/44/75/1435524475.db2.gz JWWBMDQBPKSRJP-UHFFFAOYSA-N 1 0 390.488 3.352 20 30 GGEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000279665761 1435526160 /nfs/dbraw/zinc/52/61/60/1435526160.db2.gz ZFRXDEXFHLHDAV-FCHUYYIVSA-N 1 0 378.520 3.211 20 30 GGEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000279677158 1435528159 /nfs/dbraw/zinc/52/81/59/1435528159.db2.gz GHKBIRGXOISQLO-JOCHJYFZSA-N 1 0 386.499 3.064 20 30 GGEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000279677165 1435528214 /nfs/dbraw/zinc/52/82/14/1435528214.db2.gz GHKBIRGXOISQLO-QFIPXVFZSA-N 1 0 386.499 3.064 20 30 GGEDRO CC(C)(CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000279691155 1435530183 /nfs/dbraw/zinc/53/01/83/1435530183.db2.gz HWYBMLNCMSJKOY-JOCHJYFZSA-N 1 0 386.499 3.194 20 30 GGEDRO CC(C)(CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000279691162 1435530541 /nfs/dbraw/zinc/53/05/41/1435530541.db2.gz HWYBMLNCMSJKOY-QFIPXVFZSA-N 1 0 386.499 3.194 20 30 GGEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CCCCCO)c1C#N ZINC000279704318 1435532573 /nfs/dbraw/zinc/53/25/73/1435532573.db2.gz JNNFYECAQDDTES-UHFFFAOYSA-N 1 0 382.508 3.058 20 30 GGEDRO C[C@]1(O)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000280037320 1435580742 /nfs/dbraw/zinc/58/07/42/1435580742.db2.gz LITALOPBRYCULQ-FQEVSTJZSA-N 1 0 375.538 3.454 20 30 GGEDRO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000280157111 1435600978 /nfs/dbraw/zinc/60/09/78/1435600978.db2.gz DRRSZDIPVFDAON-UHFFFAOYSA-N 1 0 379.508 3.324 20 30 GGEDRO C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280158649 1435601298 /nfs/dbraw/zinc/60/12/98/1435601298.db2.gz RXTCQKPQGSDEQP-CDNPAEQRSA-N 1 0 386.499 3.267 20 30 GGEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280289362 1435627092 /nfs/dbraw/zinc/62/70/92/1435627092.db2.gz FALLNCXLNRDCSR-SXSPYAJSSA-N 1 0 386.499 3.267 20 30 GGEDRO C[C@@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000280381553 1435649411 /nfs/dbraw/zinc/64/94/11/1435649411.db2.gz MRMZGZAVLVJACA-XXBNENTESA-N 1 0 386.499 3.364 20 30 GGEDRO N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc(CN4CCOCC4)cc3)no2)cc1 ZINC000280399219 1435653396 /nfs/dbraw/zinc/65/33/96/1435653396.db2.gz XPVHCBKUTKINPZ-NRFANRHFSA-N 1 0 399.454 3.290 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000280398834 1435653670 /nfs/dbraw/zinc/65/36/70/1435653670.db2.gz XMQCHSRFUAEGHU-OAQYLSRUSA-N 1 0 377.488 3.119 20 30 GGEDRO Cc1ccc(CN2CCOCC2)cc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280445855 1435662040 /nfs/dbraw/zinc/66/20/40/1435662040.db2.gz NIHBGQDUGBUEIQ-NRFANRHFSA-N 1 0 388.471 3.020 20 30 GGEDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](C)O2 ZINC000280462515 1435664878 /nfs/dbraw/zinc/66/48/78/1435664878.db2.gz MJQLJOQLRGGZGK-JBYIUTFZSA-N 1 0 380.492 3.232 20 30 GGEDRO CC(C)(C#N)c1ccc(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1 ZINC000280472119 1435666469 /nfs/dbraw/zinc/66/64/69/1435666469.db2.gz CRZXEQJELKDMDU-FQEVSTJZSA-N 1 0 390.487 3.190 20 30 GGEDRO N#Cc1ccc(-c2nnc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)o2)cc1 ZINC000280550572 1435678317 /nfs/dbraw/zinc/67/83/17/1435678317.db2.gz UHNZAPKZUHCXBX-OYRHEFFESA-N 1 0 385.471 3.172 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000280635556 1435694263 /nfs/dbraw/zinc/69/42/63/1435694263.db2.gz MOQITJWPESAASS-MMOPVJDHSA-N 1 0 390.524 3.012 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000280635553 1435694311 /nfs/dbraw/zinc/69/43/11/1435694311.db2.gz MOQITJWPESAASS-MDKPJZGXSA-N 1 0 390.524 3.012 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC000280827053 1435726918 /nfs/dbraw/zinc/72/69/18/1435726918.db2.gz OPRFUXBSTNUYBL-LJQANCHMSA-N 1 0 387.524 3.327 20 30 GGEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000280854735 1435730929 /nfs/dbraw/zinc/73/09/29/1435730929.db2.gz AZGBFRYGSAJJFP-HNAYVOBHSA-N 1 0 381.467 3.019 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)cc1 ZINC000280857581 1435731515 /nfs/dbraw/zinc/73/15/15/1435731515.db2.gz CACPMUMWSCIFAL-CABCVRRESA-N 1 0 388.899 3.027 20 30 GGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1 ZINC000280857589 1435731571 /nfs/dbraw/zinc/73/15/71/1435731571.db2.gz CACPMUMWSCIFAL-HUUCEWRRSA-N 1 0 388.899 3.027 20 30 GGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1 ZINC000280857594 1435731654 /nfs/dbraw/zinc/73/16/54/1435731654.db2.gz CACPMUMWSCIFAL-LSDHHAIUSA-N 1 0 388.899 3.027 20 30 GGEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280948106 1435746091 /nfs/dbraw/zinc/74/60/91/1435746091.db2.gz XDLSFCKDQVXGRH-JOCHJYFZSA-N 1 0 386.499 3.330 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000280951520 1435746755 /nfs/dbraw/zinc/74/67/55/1435746755.db2.gz XKQMZANWSKJVRL-IFIJOSMWSA-N 1 0 389.464 3.323 20 30 GGEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280976308 1435750151 /nfs/dbraw/zinc/75/01/51/1435750151.db2.gz RXWXTOJDVMMPIS-BVYCBKJFSA-N 1 0 378.520 3.354 20 30 GGEDRO N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccc1Cl ZINC000280998524 1435753939 /nfs/dbraw/zinc/75/39/39/1435753939.db2.gz NQOLEDWLEYGAID-QGZVFWFLSA-N 1 0 388.899 3.063 20 30 GGEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1Cl ZINC000281081018 1435769946 /nfs/dbraw/zinc/76/99/46/1435769946.db2.gz SXGAJTVJEPCWRP-KRWDZBQOSA-N 1 0 388.899 3.063 20 30 GGEDRO C[C@@H](CN1CCOCC1)[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281135178 1435782068 /nfs/dbraw/zinc/78/20/68/1435782068.db2.gz ACYXCOBHTUXSGY-NRFANRHFSA-N 1 0 385.552 3.310 20 30 GGEDRO NC(=[NH+]OCc1cnc2ccccc2c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000281169920 1435788769 /nfs/dbraw/zinc/78/87/69/1435788769.db2.gz ACUVVQIHORDARQ-UHFFFAOYSA-N 1 0 376.460 3.033 20 30 GGEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000281286562 1435802389 /nfs/dbraw/zinc/80/23/89/1435802389.db2.gz OUCRBLNTENQLKA-ICSRJNTNSA-N 1 0 391.519 3.471 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000281352867 1435805042 /nfs/dbraw/zinc/80/50/42/1435805042.db2.gz DQDIUNJSHRIPJA-LZJOCLMNSA-N 1 0 399.535 3.083 20 30 GGEDRO C=CCN1CC[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1=O ZINC000281396064 1435807162 /nfs/dbraw/zinc/80/71/62/1435807162.db2.gz ZSTWHSAYXVBMRI-KRWDZBQOSA-N 1 0 382.426 3.130 20 30 GGEDRO COc1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C#N ZINC000281446663 1435809246 /nfs/dbraw/zinc/80/92/46/1435809246.db2.gz AASCPYNAUJIRTJ-UHFFFAOYSA-N 1 0 399.516 3.031 20 30 GGEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000281473281 1435810327 /nfs/dbraw/zinc/81/03/27/1435810327.db2.gz HLIDPSDPKWGAMW-NRSPTQNISA-N 1 0 386.540 3.059 20 30 GGEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000281511290 1435811739 /nfs/dbraw/zinc/81/17/39/1435811739.db2.gz KEGCNBOLZRGDFJ-QFBILLFUSA-N 1 0 381.467 3.019 20 30 GGEDRO CN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000281770167 1435821386 /nfs/dbraw/zinc/82/13/86/1435821386.db2.gz GBDXTZZIRRSOOR-UHFFFAOYSA-N 1 0 399.498 3.481 20 30 GGEDRO COc1ccc(F)cc1CN1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000281895555 1435825834 /nfs/dbraw/zinc/82/58/34/1435825834.db2.gz FCWIRIBCTKSJRF-UHFFFAOYSA-N 1 0 375.488 3.052 20 30 GGEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC1 ZINC000281956045 1435828413 /nfs/dbraw/zinc/82/84/13/1435828413.db2.gz DDFSEEJSHNDTIN-UHFFFAOYSA-N 1 0 382.430 3.336 20 30 GGEDRO N#CC1(CCCN2CCN(C(=O)CCCc3ccccc3)CC2)CCOCC1 ZINC000281973267 1435829180 /nfs/dbraw/zinc/82/91/80/1435829180.db2.gz LINJCQYVHVOGIL-UHFFFAOYSA-N 1 0 383.536 3.254 20 30 GGEDRO COc1ccc(CN2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc1F ZINC000281983362 1435829584 /nfs/dbraw/zinc/82/95/84/1435829584.db2.gz MEVHHJBGWXGKII-UHFFFAOYSA-N 1 0 375.488 3.052 20 30 GGEDRO N#CCCn1cc(C[NH2+]C2CCN(c3nccs3)CC2)c(-c2ccncc2)n1 ZINC000282116068 1435835169 /nfs/dbraw/zinc/83/51/69/1435835169.db2.gz FEQMMNGFNUHGLB-UHFFFAOYSA-N 1 0 393.520 3.074 20 30 GGEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000282172262 1435837271 /nfs/dbraw/zinc/83/72/71/1435837271.db2.gz DUPURFDNUNJYPH-PZJWPPBQSA-N 1 0 388.519 3.456 20 30 GGEDRO COc1cc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)ccc1C#N ZINC000282187533 1435837858 /nfs/dbraw/zinc/83/78/58/1435837858.db2.gz GAUTZIZPKADEBK-UHFFFAOYSA-N 1 0 381.451 3.234 20 30 GGEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282196635 1435838071 /nfs/dbraw/zinc/83/80/71/1435838071.db2.gz GSIHBORLKJTPGK-UHFFFAOYSA-N 1 0 385.512 3.019 20 30 GGEDRO C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000282301087 1435842204 /nfs/dbraw/zinc/84/22/04/1435842204.db2.gz OSFHEOAHPHICFU-PXNSSMCTSA-N 1 0 397.523 3.145 20 30 GGEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000282316716 1435842873 /nfs/dbraw/zinc/84/28/73/1435842873.db2.gz PWSRBZJRWZQUKE-SFHVURJKSA-N 1 0 399.539 3.220 20 30 GGEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000282321034 1435842977 /nfs/dbraw/zinc/84/29/77/1435842977.db2.gz QGJTXNCYLWNQIW-NRFANRHFSA-N 1 0 395.551 3.307 20 30 GGEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000282332214 1435843463 /nfs/dbraw/zinc/84/34/63/1435843463.db2.gz QYMYEERNCADMON-GOSISDBHSA-N 1 0 399.539 3.220 20 30 GGEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000282332215 1435843509 /nfs/dbraw/zinc/84/35/09/1435843509.db2.gz QYMYEERNCADMON-SFHVURJKSA-N 1 0 399.539 3.220 20 30 GGEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000282418341 1435846432 /nfs/dbraw/zinc/84/64/32/1435846432.db2.gz XWESYSZFKFMSMP-UHFFFAOYSA-N 1 0 382.556 3.398 20 30 GGEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000282442653 1435847278 /nfs/dbraw/zinc/84/72/78/1435847278.db2.gz ZORMOFVOKVJSDO-MRXNPFEDSA-N 1 0 389.569 3.086 20 30 GGEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000282508028 1435849618 /nfs/dbraw/zinc/84/96/18/1435849618.db2.gz FKMIMUWYTARFJR-UHFFFAOYSA-N 1 0 385.512 3.019 20 30 GGEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000282525146 1435850117 /nfs/dbraw/zinc/85/01/17/1435850117.db2.gz GTFVVAFBRCXAJO-KRWDZBQOSA-N 1 0 387.503 3.350 20 30 GGEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000282605182 1435853402 /nfs/dbraw/zinc/85/34/02/1435853402.db2.gz YMQYMGSWFDEJAF-GOSISDBHSA-N 1 0 382.533 3.449 20 30 GGEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc(OC)cc2OC)[C@@H](C)C2CC2)CC1 ZINC000282697166 1435856762 /nfs/dbraw/zinc/85/67/62/1435856762.db2.gz JANFRQKQUVQKBR-KRWDZBQOSA-N 1 0 384.520 3.176 20 30 GGEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000282715610 1435857634 /nfs/dbraw/zinc/85/76/34/1435857634.db2.gz WCXHBFVNGRQURD-IBGZPJMESA-N 1 0 383.540 3.254 20 30 GGEDRO CC[NH+]1CCN([C@@H]2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)C2)CC1 ZINC000282879554 1435864366 /nfs/dbraw/zinc/86/43/66/1435864366.db2.gz QYWWLHNQTRIWJE-QGZVFWFLSA-N 1 0 383.927 3.285 20 30 GGEDRO N#Cc1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)ccc1OC(F)(F)F ZINC000283135090 1435876202 /nfs/dbraw/zinc/87/62/02/1435876202.db2.gz ZTZOBGKEEHGWFH-UHFFFAOYSA-N 1 0 380.370 3.325 20 30 GGEDRO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283233047 1435880400 /nfs/dbraw/zinc/88/04/00/1435880400.db2.gz UIDZQTFTHMRYIL-OFNKIYASSA-N 1 0 388.515 3.031 20 30 GGEDRO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283233051 1435880423 /nfs/dbraw/zinc/88/04/23/1435880423.db2.gz UIDZQTFTHMRYIL-REWPJTCUSA-N 1 0 388.515 3.031 20 30 GGEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283360159 1435885921 /nfs/dbraw/zinc/88/59/21/1435885921.db2.gz SVXIPKBKOIXLMS-UHFFFAOYSA-N 1 0 399.539 3.409 20 30 GGEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000283396211 1435887823 /nfs/dbraw/zinc/88/78/23/1435887823.db2.gz WHQSPYSOHHAEQV-RBUKOAKNSA-N 1 0 397.571 3.346 20 30 GGEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000283549792 1435895023 /nfs/dbraw/zinc/89/50/23/1435895023.db2.gz PUXMQJNZJOIRKS-UHFFFAOYSA-N 1 0 398.555 3.027 20 30 GGEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000283581621 1435896556 /nfs/dbraw/zinc/89/65/56/1435896556.db2.gz KJLNLRXJECNKQY-XLIONFOSSA-N 1 0 378.524 3.369 20 30 GGEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283674271 1435901223 /nfs/dbraw/zinc/90/12/23/1435901223.db2.gz VMRWIASQRYJFLX-NRFANRHFSA-N 1 0 377.488 3.169 20 30 GGEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000283794811 1435925221 /nfs/dbraw/zinc/92/52/21/1435925221.db2.gz UQCKEFVZHCYVFT-RZUBCFFCSA-N 1 0 387.487 3.107 20 30 GGEDRO COCC1(C[NH2+]Cc2ccc(C#N)s2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000283936203 1435956203 /nfs/dbraw/zinc/95/62/03/1435956203.db2.gz JLWYBPITVFZTQW-UHFFFAOYSA-N 1 0 379.526 3.373 20 30 GGEDRO COc1ccccc1C(=O)C(C(=S)NC1(C)CC1)[n+]1ccc(N(C)C)cc1 ZINC000284054401 1435981977 /nfs/dbraw/zinc/98/19/77/1435981977.db2.gz JJNDXGBLXKXDDB-UHFFFAOYSA-O 1 0 384.525 3.130 20 30 GGEDRO CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000284109133 1435992200 /nfs/dbraw/zinc/99/22/00/1435992200.db2.gz GPQSBWSADAVFGW-RTWAWAEBSA-N 1 0 386.515 3.107 20 30 GGEDRO C=CCC[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000284214866 1436004519 /nfs/dbraw/zinc/00/45/19/1436004519.db2.gz NGTWHIZDVHUNEB-OAQYLSRUSA-N 1 0 383.536 3.333 20 30 GGEDRO C=CCC[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000284214862 1436004601 /nfs/dbraw/zinc/00/46/01/1436004601.db2.gz NGTWHIZDVHUNEB-NRFANRHFSA-N 1 0 383.536 3.333 20 30 GGEDRO O=C(NCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000284295261 1436010806 /nfs/dbraw/zinc/01/08/06/1436010806.db2.gz KMMYAGDALOXIGV-MKRGEVTBSA-N 1 0 393.409 3.458 20 30 GGEDRO O=C(NCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1N=CC=CC1=O ZINC000284295249 1436010871 /nfs/dbraw/zinc/01/08/71/1436010871.db2.gz KMMYAGDALOXIGV-CSIMIJJJSA-N 1 0 393.409 3.458 20 30 GGEDRO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284342665 1436014607 /nfs/dbraw/zinc/01/46/07/1436014607.db2.gz XSRVJZBZQHGMGN-UHFFFAOYSA-N 1 0 392.503 3.373 20 30 GGEDRO COc1ncc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000284411036 1436019770 /nfs/dbraw/zinc/01/97/70/1436019770.db2.gz QFYCGFIAEVAPCE-FZKQIMNGSA-N 1 0 384.867 3.067 20 30 GGEDRO CN(C)c1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC2(C)CC2)cc1 ZINC000284453109 1436022891 /nfs/dbraw/zinc/02/28/91/1436022891.db2.gz QDVHCMJLDDTTKV-UHFFFAOYSA-O 1 0 390.479 3.399 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)cc1 ZINC000284477911 1436024575 /nfs/dbraw/zinc/02/45/75/1436024575.db2.gz AUCLFCVAUAGBCY-HXUWFJFHSA-N 1 0 396.491 3.035 20 30 GGEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)cc1 ZINC000284477909 1436024757 /nfs/dbraw/zinc/02/47/57/1436024757.db2.gz AUCLFCVAUAGBCY-FQEVSTJZSA-N 1 0 396.491 3.035 20 30 GGEDRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)Nc2ccc(CC#N)cc2)cn1 ZINC000284608441 1436033844 /nfs/dbraw/zinc/03/38/44/1436033844.db2.gz AINZTEBSMSUEIQ-PKTZIBPZSA-N 1 0 399.498 3.340 20 30 GGEDRO CCc1c(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccccc2)[nH]c(C)c1C(C)=O ZINC000284619160 1436034979 /nfs/dbraw/zinc/03/49/79/1436034979.db2.gz ZKUGFJULQAYCIM-UHFFFAOYSA-O 1 0 384.525 3.457 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000284647087 1436037164 /nfs/dbraw/zinc/03/71/64/1436037164.db2.gz DYMCEYIJJJTGHQ-GJZGRUSLSA-N 1 0 385.489 3.030 20 30 GGEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000284690651 1436040699 /nfs/dbraw/zinc/04/06/99/1436040699.db2.gz HLXCWRCVYZRFIW-KRWDZBQOSA-N 1 0 399.516 3.078 20 30 GGEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC)c2cccc(Cl)c2)CC1 ZINC000284758331 1436047156 /nfs/dbraw/zinc/04/71/56/1436047156.db2.gz CYHHNZKHWRMZGG-GOSISDBHSA-N 1 0 377.916 3.064 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC2(CCOCC2)CC1 ZINC000284782094 1436049495 /nfs/dbraw/zinc/04/94/95/1436049495.db2.gz OACTXUIHTQUKFC-SFHVURJKSA-N 1 0 385.508 3.223 20 30 GGEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC2(CCOCC2)CC1 ZINC000284782091 1436049699 /nfs/dbraw/zinc/04/96/99/1436049699.db2.gz OACTXUIHTQUKFC-GOSISDBHSA-N 1 0 385.508 3.223 20 30 GGEDRO C[C@@H]([NH2+]CCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000824590272 1450094484 /nfs/dbraw/zinc/09/44/84/1450094484.db2.gz AXVDVQMZSFTASZ-CVEARBPZSA-N 1 0 375.480 3.130 20 30 GGEDRO N#Cc1c(Cl)nc(C(F)(F)N2CCC3(CC([NH3+])C3)CC2)nc1C(F)(F)F ZINC001164388093 718802594 /nfs/dbraw/zinc/80/25/94/718802594.db2.gz SCOLGDBXQPTGMR-UHFFFAOYSA-N 1 0 395.763 3.273 20 30 GGEDRO COc1cc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)c(C#N)c(Cl)n1 ZINC001164423687 718943258 /nfs/dbraw/zinc/94/32/58/718943258.db2.gz JPSLDOIRHMFKNH-GDBMZVCRSA-N 1 0 390.821 3.236 20 30 GGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc4ccc(C#N)cc43)CC2)CC1 ZINC001164614188 719025443 /nfs/dbraw/zinc/02/54/43/719025443.db2.gz OXDOXQOYEKOXRH-UHFFFAOYSA-N 1 0 392.503 3.350 20 30 GGEDRO CC(C)C[NH+]1CCN(C(F)(F)c2nc(Cl)c(C#N)c(C(F)(F)F)n2)CC1 ZINC001164659639 719340500 /nfs/dbraw/zinc/34/05/00/719340500.db2.gz DFQRUDZXIDWBEX-UHFFFAOYSA-N 1 0 397.779 3.343 20 30 GGEDRO C[N@@H+]1CCO[C@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)C[C@H]21 ZINC001164667222 719397444 /nfs/dbraw/zinc/39/74/44/719397444.db2.gz NGUIPZXWTBBMTA-MSOLQXFVSA-N 1 0 376.485 3.354 20 30 GGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ncc2C#N)CC3)cs1 ZINC001164691203 719806038 /nfs/dbraw/zinc/80/60/38/719806038.db2.gz FQLGZNQBNJQWQJ-UHFFFAOYSA-N 1 0 388.928 3.402 20 30 GGEDRO COc1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1C#N ZINC001164691969 719807386 /nfs/dbraw/zinc/80/73/86/719807386.db2.gz CWKMPMQSXNHRML-UHFFFAOYSA-N 1 0 383.521 3.362 20 30 GGEDRO Cc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(C=NO)c1 ZINC001164697691 719896462 /nfs/dbraw/zinc/89/64/62/719896462.db2.gz NPIRFCLZSKBRBE-UHFFFAOYSA-N 1 0 386.521 3.131 20 30 GGEDRO Cc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1CC#N ZINC001164706332 719899236 /nfs/dbraw/zinc/89/92/36/719899236.db2.gz HYGNNNZBRMLCRR-UHFFFAOYSA-N 1 0 382.533 3.389 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(Cl)c(C)c1C#N)C2 ZINC001164806385 720075487 /nfs/dbraw/zinc/07/54/87/720075487.db2.gz BUIGTZXUMIKYIS-DYESRHJHSA-N 1 0 388.943 3.408 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc(C#N)cc31)C2 ZINC001164809118 720101996 /nfs/dbraw/zinc/10/19/96/720101996.db2.gz HCFKXZAJRQJZLY-NZQKXSOJSA-N 1 0 376.504 3.291 20 30 GGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C)c(C#N)n1)CC2 ZINC001164716947 720115587 /nfs/dbraw/zinc/11/55/87/720115587.db2.gz MBPMJVKMNIWEGK-HXUWFJFHSA-N 1 0 391.519 3.164 20 30 GGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(Cl)cc1C#N)C2 ZINC001164815468 720115883 /nfs/dbraw/zinc/11/58/83/720115883.db2.gz VUVBELMNAJRNDJ-HNAYVOBHSA-N 1 0 395.334 3.445 20 30 GGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001164819545 720167736 /nfs/dbraw/zinc/16/77/36/720167736.db2.gz XSUOITGAQGSHGH-OFNKIYASSA-N 1 0 380.536 3.017 20 30 GGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727872 720345942 /nfs/dbraw/zinc/34/59/42/720345942.db2.gz UROUMZRDLWVEHL-OALUTQOASA-N 1 0 390.878 3.403 20 30 GGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727878 720346004 /nfs/dbraw/zinc/34/60/04/720346004.db2.gz UROUMZRDLWVEHL-RBUKOAKNSA-N 1 0 390.878 3.403 20 30 GGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(-c3ccc(F)cc3)ccc2C#N)C1 ZINC001164727276 720507270 /nfs/dbraw/zinc/50/72/70/720507270.db2.gz BYSTUTLEPOCGQE-MRXNPFEDSA-N 1 0 390.466 3.154 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(C#N)cc3Cl)CC[C@@H]21 ZINC001164833377 720513070 /nfs/dbraw/zinc/51/30/70/720513070.db2.gz DLCPJXCNSRARRR-LNLFQRSKSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(Cl)c(C#N)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839043 720514006 /nfs/dbraw/zinc/51/40/06/720514006.db2.gz SDYUOGYXAYMGBD-TXPKVOOTSA-N 1 0 384.915 3.181 20 30 GGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)ncc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836091 720514470 /nfs/dbraw/zinc/51/44/70/720514470.db2.gz MHYLZAKYSXOUMW-BPQIPLTHSA-N 1 0 384.915 3.181 20 30 GGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3cc(F)ccc3c(Cl)c2C#N)C1 ZINC001164734719 720534503 /nfs/dbraw/zinc/53/45/03/720534503.db2.gz KUAGXBIZRPKRTL-CYBMUJFWSA-N 1 0 398.873 3.293 20 30 GGEDRO Cc1ccc2nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c(C#N)c(Cl)c2c1 ZINC001164733544 720536278 /nfs/dbraw/zinc/53/62/78/720536278.db2.gz CSQYEOCTXVJUNU-OAHLLOKOSA-N 1 0 394.910 3.463 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(C#N)c[nH]c4n3)CC[C@@H]21 ZINC001164840754 720556233 /nfs/dbraw/zinc/55/62/33/720556233.db2.gz SRQHHVAXYXFLPX-KPFFTGBYSA-N 1 0 389.507 3.009 20 30 GGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727315 720566348 /nfs/dbraw/zinc/56/63/48/720566348.db2.gz DOJDBCYSYQYDQI-UHFFFAOYSA-N 1 0 391.306 3.115 20 30 GGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4[nH]c(C#N)cc4n3)CC[C@@H]21 ZINC001164835581 720596791 /nfs/dbraw/zinc/59/67/91/720596791.db2.gz BNDGGYSWJAOADO-MMOPVJDHSA-N 1 0 389.507 3.009 20 30 GGEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1CC#N ZINC001164836184 720615217 /nfs/dbraw/zinc/61/52/17/720615217.db2.gz FDDYOXCCYPIMTR-PCCBWWKXSA-N 1 0 378.524 3.030 20 30 GGEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(Cl)cc1C#N ZINC001164840265 720643898 /nfs/dbraw/zinc/64/38/98/720643898.db2.gz PQPAYVWRBKTTAS-NLWGTHIKSA-N 1 0 398.942 3.489 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(F)cc1C#N)CC2 ZINC001164843279 720670349 /nfs/dbraw/zinc/67/03/49/720670349.db2.gz VUQICPBVUIUAIU-FQEVSTJZSA-N 1 0 380.467 3.352 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc(Cl)c1C#N)CC2 ZINC001164838211 720672458 /nfs/dbraw/zinc/67/24/58/720672458.db2.gz GGGQNSYWQWSXDL-QGZVFWFLSA-N 1 0 397.910 3.262 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164843611 720672549 /nfs/dbraw/zinc/67/25/49/720672549.db2.gz WISLRNUPHCIZFN-SFHVURJKSA-N 1 0 397.910 3.262 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164842746 720673802 /nfs/dbraw/zinc/67/38/02/720673802.db2.gz UAOWMTGKLFJTJG-GOSISDBHSA-N 1 0 397.910 3.262 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164842750 720675371 /nfs/dbraw/zinc/67/53/71/720675371.db2.gz UAOWMTGKLFJTJG-SFHVURJKSA-N 1 0 397.910 3.262 20 30 GGEDRO COc1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164845371 720682970 /nfs/dbraw/zinc/68/29/70/720682970.db2.gz YWWDMIKGBZGDDZ-LJQANCHMSA-N 1 0 392.503 3.222 20 30 GGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(F)c1C#N)CC2 ZINC001164844874 720698090 /nfs/dbraw/zinc/69/80/90/720698090.db2.gz VRQSBHSYIZUSPR-SFHVURJKSA-N 1 0 380.467 3.352 20 30 GGEDRO Cc1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C=NO)c1 ZINC001164842325 720705584 /nfs/dbraw/zinc/70/55/84/720705584.db2.gz YHEYTAGUXPSVPE-OAQYLSRUSA-N 1 0 394.519 3.458 20 30 GGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)cc1C#N)[C@@H]2C ZINC001164853474 720922402 /nfs/dbraw/zinc/92/24/02/720922402.db2.gz AXWQTOLYHVCYTM-GFCCVEGCSA-N 1 0 376.867 3.364 20 30 GGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(C#N)cc1C#N)[C@@H]2C ZINC001164856202 720957590 /nfs/dbraw/zinc/95/75/90/720957590.db2.gz CRSZHKPCHVOZGX-CYBMUJFWSA-N 1 0 383.887 3.096 20 30 GGEDRO Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164868162 721050170 /nfs/dbraw/zinc/05/01/70/721050170.db2.gz NJCYJVSTWUPHLB-ZWKOTPCHSA-N 1 0 397.910 3.098 20 30 GGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@H]3C2)cn1 ZINC001164771322 721162387 /nfs/dbraw/zinc/16/23/87/721162387.db2.gz SAGJAWAHMVSKFX-LEWJYISDSA-N 1 0 393.611 3.002 20 30 GGEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164793228 721492695 /nfs/dbraw/zinc/49/26/95/721492695.db2.gz QEVHRCPKZKKYAH-UHFFFAOYSA-N 1 0 382.899 3.278 20 30 GGEDRO N#Cc1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900515 721510444 /nfs/dbraw/zinc/51/04/44/721510444.db2.gz RRAGQBXDDHJIAB-GDBMZVCRSA-N 1 0 390.821 3.227 20 30 GGEDRO N#Cc1cc2c(nc1N1CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164903109 721552653 /nfs/dbraw/zinc/55/26/53/721552653.db2.gz AMDBBXHRJTZRIA-FPOVZHCZSA-N 1 0 392.478 3.313 20 30 GGEDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)cc1C#N ZINC001164906457 721566509 /nfs/dbraw/zinc/56/65/09/721566509.db2.gz JISJLEWEUCIJAB-FUHWJXTLSA-N 1 0 386.858 3.396 20 30 GGEDRO N#Cc1c(F)ccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908251 721710975 /nfs/dbraw/zinc/71/09/75/721710975.db2.gz WRFNIPDMGRYJFW-LJQANCHMSA-N 1 0 387.409 3.225 20 30 GGEDRO N#Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(F)c1 ZINC001164908277 721715329 /nfs/dbraw/zinc/71/53/29/721715329.db2.gz WUDSFZXWRDZYJC-LJQANCHMSA-N 1 0 387.409 3.225 20 30 GGEDRO N#CCc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907766 721716291 /nfs/dbraw/zinc/71/62/91/721716291.db2.gz TZTHZCJFUIEUOX-HXUWFJFHSA-N 1 0 383.446 3.280 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)nc3C#N)C[C@@H]21 ZINC001165020371 721804620 /nfs/dbraw/zinc/80/46/20/721804620.db2.gz FHPBVFZMZFFTSW-QILLFSRXSA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)nc3C#N)C[C@H]21 ZINC001165020377 721804767 /nfs/dbraw/zinc/80/47/67/721804767.db2.gz FHPBVFZMZFFTSW-YXJHDRRASA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc(Cl)c3C#N)C[C@H]21 ZINC001165024019 721805368 /nfs/dbraw/zinc/80/53/68/721805368.db2.gz KRHSWEOJXSJYPF-ZTFGCOKTSA-N 1 0 382.899 3.134 20 30 GGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)cc3C#N)C[C@@H]21 ZINC001165024668 721806140 /nfs/dbraw/zinc/80/61/40/721806140.db2.gz MQYHUVFQOYXWLR-FHLIZLRMSA-N 1 0 382.899 3.134 20 30 GGEDRO COc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165018693 721808410 /nfs/dbraw/zinc/80/84/10/721808410.db2.gz BYBIBTSOSACUMA-FFZOFVMBSA-N 1 0 377.492 3.094 20 30 GGEDRO C=CCOc1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025160 721813111 /nfs/dbraw/zinc/81/31/11/721813111.db2.gz LNDQTYYOVOCKPZ-SESVDKBCSA-N 1 0 393.535 3.482 20 30 GGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C)cc2C#N)CC1 ZINC001165020329 721838399 /nfs/dbraw/zinc/83/83/99/721838399.db2.gz HZMMRIQGDZLLRF-UHFFFAOYSA-N 1 0 380.492 3.380 20 30 GGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(C)c2C#N)CC1 ZINC001165021382 721838420 /nfs/dbraw/zinc/83/84/20/721838420.db2.gz MBOPDHIQUQUINE-UHFFFAOYSA-N 1 0 380.492 3.380 20 30 GGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)ccc2C#N)CC1 ZINC001165021568 721839631 /nfs/dbraw/zinc/83/96/31/721839631.db2.gz OQIHGYSGMLXZDI-UHFFFAOYSA-N 1 0 380.492 3.380 20 30 GGEDRO COc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ncc1C#N ZINC001164938547 721920425 /nfs/dbraw/zinc/92/04/25/721920425.db2.gz PPXINNBKUACQRL-UHFFFAOYSA-N 1 0 392.503 3.142 20 30 GGEDRO N#Cc1cc(Cl)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962501 722058240 /nfs/dbraw/zinc/05/82/40/722058240.db2.gz SSMZWWDNROOFKF-UHFFFAOYSA-N 1 0 397.910 3.121 20 30 GGEDRO CC(C)c1ccc(C#N)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983910 722103289 /nfs/dbraw/zinc/10/32/89/722103289.db2.gz QYJWZCKFVCBVLP-IRLDBZIGSA-N 1 0 391.519 3.199 20 30 GGEDRO N#Cc1ccc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973855 722111020 /nfs/dbraw/zinc/11/10/20/722111020.db2.gz HNLFECKAVAJTMM-FYYLOGMGSA-N 1 0 399.498 3.229 20 30 GGEDRO N#Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccccc12 ZINC001164984991 722140017 /nfs/dbraw/zinc/14/00/17/722140017.db2.gz YRYKVFBCNKSDLT-CVDCTZTESA-N 1 0 399.498 3.229 20 30 GGEDRO C=CCNC(=O)c1cccnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994411 722207529 /nfs/dbraw/zinc/20/75/29/722207529.db2.gz GHIQMJPIDXUIQF-HSZRJFAPSA-N 1 0 394.494 3.381 20 30 GGEDRO C=CCNC(=O)c1cccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994412 722207710 /nfs/dbraw/zinc/20/77/10/722207710.db2.gz GHIQMJPIDXUIQF-QHCPKHFHSA-N 1 0 394.494 3.381 20 30 GGEDRO