smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@@H]43)cnc2Cl)cc1 ZINC001164410841 718877525 /nfs/dbraw/zinc/87/75/25/718877525.db2.gz IDRFBSJLJJDIIN-SJORKVTESA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164416618 718892207 /nfs/dbraw/zinc/89/22/07/718892207.db2.gz DTAVQJAUTMZIOI-AWEZNQCLSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626493 719051038 /nfs/dbraw/zinc/05/10/38/719051038.db2.gz SBMABDWATHWGFO-QZTJIDSGSA-N 1 0 352.869 3.707 20 30 FHEDRO CC(C)C[NH+]1CCN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC1 ZINC001164651131 719329581 /nfs/dbraw/zinc/32/95/81/719329581.db2.gz CQESOHFAQGTAFF-UHFFFAOYSA-N 1 0 363.239 3.583 20 30 FHEDRO CSc1nc(-c2ccccc2)nc(N2CC[NH+](CC(C)C)CC2)c1C#N ZINC001164653961 719335167 /nfs/dbraw/zinc/33/51/67/719335167.db2.gz IZWLWBXKGPRQKG-UHFFFAOYSA-N 1 0 367.522 3.515 20 30 FHEDRO CC(C)C[NH+]1CCN(c2ccc(COc3ccc(CC#N)cc3)cn2)CC1 ZINC001164657654 719337934 /nfs/dbraw/zinc/33/79/34/719337934.db2.gz WVCFGDCHZHFRBT-UHFFFAOYSA-N 1 0 364.493 3.505 20 30 FHEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725943 720384453 /nfs/dbraw/zinc/38/44/53/720384453.db2.gz OGLHBCGCGNGSPZ-JKSUJKDBSA-N 1 0 374.275 3.508 20 30 FHEDRO N#Cc1cnc(Cl)cc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994698 722192999 /nfs/dbraw/zinc/19/29/99/722192999.db2.gz PFUAGZFZPMZGLZ-FQEVSTJZSA-N 1 0 370.859 3.991 20 30 FHEDRO Cc1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C#N)c1 ZINC001164993171 722193871 /nfs/dbraw/zinc/19/38/71/722193871.db2.gz CGGWFXCSCXMUCR-OAQYLSRUSA-N 1 0 350.441 3.646 20 30 FHEDRO N#Cc1cc(Cl)cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995662 722197804 /nfs/dbraw/zinc/19/78/04/722197804.db2.gz WTOZDGQZPLTALW-FQEVSTJZSA-N 1 0 370.859 3.991 20 30 FHEDRO Cc1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C#N ZINC001164995121 722199005 /nfs/dbraw/zinc/19/90/05/722199005.db2.gz RUKTZBUKELGBLT-OAQYLSRUSA-N 1 0 350.441 3.646 20 30 FHEDRO Cc1cc(C#N)cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164998532 722211443 /nfs/dbraw/zinc/21/14/43/722211443.db2.gz WTSWJHUAQAOQSA-OAQYLSRUSA-N 1 0 350.441 3.646 20 30 FHEDRO N#Cc1ccc(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)nc1 ZINC000582966900 936334104 /nfs/dbraw/zinc/33/41/04/936334104.db2.gz QRMABRAQJIOFKB-UHFFFAOYSA-N 1 0 366.490 3.784 20 30 FHEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)c1ccccc1 ZINC000052034979 936341156 /nfs/dbraw/zinc/34/11/56/936341156.db2.gz OVSUCPCSSIZSRB-NRFANRHFSA-N 1 0 365.452 3.779 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3sccc3C#N)cc2)C1 ZINC000052035216 936341314 /nfs/dbraw/zinc/34/13/14/936341314.db2.gz XVMSQTVRWGOIJW-OAHLLOKOSA-N 1 0 353.491 3.782 20 30 FHEDRO C=CCC[C@H](NC(=O)NCC[NH+]1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000506374949 945064562 /nfs/dbraw/zinc/06/45/62/945064562.db2.gz JDDAJLBSEMVZAX-INIZCTEOSA-N 1 0 355.404 3.718 20 30 FHEDRO CN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000176390230 937124490 /nfs/dbraw/zinc/12/44/90/937124490.db2.gz KYMAJADZSDXNGT-UHFFFAOYSA-N 1 0 357.841 3.638 20 30 FHEDRO COC(=O)[C@@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)c1cccc(C#N)c1 ZINC000091552971 937137153 /nfs/dbraw/zinc/13/71/53/937137153.db2.gz NHZAHKLAYRMLAP-NRFANRHFSA-N 1 0 363.461 3.521 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000579749089 927286077 /nfs/dbraw/zinc/28/60/77/927286077.db2.gz MPKLULQGMAFVPE-MGPUTAFESA-N 1 0 366.465 3.688 20 30 FHEDRO CC[NH+]1CCN(c2ccccc2CN2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1 ZINC000430151842 927364595 /nfs/dbraw/zinc/36/45/95/927364595.db2.gz VGGXZZXDVFRHMN-PKTZIBPZSA-N 1 0 374.532 3.568 20 30 FHEDRO N#Cc1cccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000510059914 927517404 /nfs/dbraw/zinc/51/74/04/927517404.db2.gz GZTBSZAUUZVRIC-UHFFFAOYSA-N 1 0 362.477 3.731 20 30 FHEDRO C[C@@H]1C[C@@H](CCNC(=O)c2sccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000510069375 927633865 /nfs/dbraw/zinc/63/38/65/927633865.db2.gz FVHUESVADPSDKI-NVXWUHKLSA-N 1 0 353.491 3.650 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@]2(C)CCOC2)cc1OCC ZINC000120212016 927694262 /nfs/dbraw/zinc/69/42/62/927694262.db2.gz ZBZGGBSTQQDQMC-QGZVFWFLSA-N 1 0 370.287 3.681 20 30 FHEDRO COc1ccc2cc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc2c1 ZINC000430189983 927725457 /nfs/dbraw/zinc/72/54/57/927725457.db2.gz VUSPBIFZTBNDHY-OAQYLSRUSA-N 1 0 359.429 3.768 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc2ccccc21 ZINC000023676654 928037633 /nfs/dbraw/zinc/03/76/33/928037633.db2.gz RIKRLKCGGNCEKQ-XLIONFOSSA-N 1 0 360.457 3.996 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cccc(F)c2o1 ZINC000610224210 928300319 /nfs/dbraw/zinc/30/03/19/928300319.db2.gz JATOYVNCWHHJIK-UHFFFAOYSA-N 1 0 365.408 3.648 20 30 FHEDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208844209 928764035 /nfs/dbraw/zinc/76/40/35/928764035.db2.gz GEFAFBRONNWMFF-UHFFFAOYSA-N 1 0 369.509 3.824 20 30 FHEDRO N#Cc1ccc(CCC[N@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)cc1 ZINC001208863121 928804520 /nfs/dbraw/zinc/80/45/20/928804520.db2.gz XKZHIKLKRZYUAF-FCHUYYIVSA-N 1 0 361.489 3.614 20 30 FHEDRO C[C@@H](OC1CCCCCC1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000471198622 928907085 /nfs/dbraw/zinc/90/70/85/928907085.db2.gz GOFXSFQKUAEZFZ-GOSISDBHSA-N 1 0 371.525 3.576 20 30 FHEDRO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC001208920990 929007572 /nfs/dbraw/zinc/00/75/72/929007572.db2.gz VSANUTBBNGPGHO-QFBILLFUSA-N 1 0 357.498 3.726 20 30 FHEDRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1CCc1ccc(C#N)cc1 ZINC001208926023 929013463 /nfs/dbraw/zinc/01/34/63/929013463.db2.gz FERMRXZBNAZSJR-HBMCJLEFSA-N 1 0 367.537 3.896 20 30 FHEDRO N#Cc1ccc(CC[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)cc1 ZINC001208926007 929014188 /nfs/dbraw/zinc/01/41/88/929014188.db2.gz DLDAIIOYILLBBD-UHFFFAOYSA-N 1 0 374.410 3.727 20 30 FHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)cc1 ZINC001208926289 929018602 /nfs/dbraw/zinc/01/86/02/929018602.db2.gz DVNDVZLSGXCDEF-HSZRJFAPSA-N 1 0 363.480 3.980 20 30 FHEDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000471213046 929120474 /nfs/dbraw/zinc/12/04/74/929120474.db2.gz YULJVHVNLHPDKS-IBGZPJMESA-N 1 0 366.486 3.706 20 30 FHEDRO C=CCCC[N@@H+](CCC)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001209160203 929390546 /nfs/dbraw/zinc/39/05/46/929390546.db2.gz JATIPGVIOJNVNY-CQSZACIVSA-N 1 0 352.500 3.848 20 30 FHEDRO Cn1cc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180160612 929408852 /nfs/dbraw/zinc/40/88/52/929408852.db2.gz CKAPIQTUDIRQFI-JOCHJYFZSA-N 1 0 356.473 3.948 20 30 FHEDRO C=CCSCC[NH2+][C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000180216921 929422730 /nfs/dbraw/zinc/42/27/30/929422730.db2.gz BCEPHKJDUYDHEP-IBGZPJMESA-N 1 0 356.491 3.884 20 30 FHEDRO C=CCCCCN1Cc2cc(OC)c(OC)cc2C(=O)C12CC[NH+](C)CC2 ZINC001209206969 929503868 /nfs/dbraw/zinc/50/38/68/929503868.db2.gz FFFYLNXXJWZWOO-UHFFFAOYSA-N 1 0 372.509 3.523 20 30 FHEDRO C=CC[NH+]1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180489530 929523940 /nfs/dbraw/zinc/52/39/40/929523940.db2.gz YAODINQYEUIMMU-OAQYLSRUSA-N 1 0 351.450 3.924 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116383858 929600712 /nfs/dbraw/zinc/60/07/12/929600712.db2.gz BWAMLCGKZYLJDH-AVRDEDQJSA-N 1 0 351.494 3.647 20 30 FHEDRO Cn1ccnc1CC1CC[NH+](Cc2cccn2Cc2ccccc2C#N)CC1 ZINC000187232568 929621159 /nfs/dbraw/zinc/62/11/59/929621159.db2.gz BJVBQBCYYKYKFV-UHFFFAOYSA-N 1 0 373.504 3.596 20 30 FHEDRO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728267730 929816853 /nfs/dbraw/zinc/81/68/53/929816853.db2.gz QYHICQRIXRZOGL-MRXNPFEDSA-N 1 0 364.493 3.570 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000610317637 929881246 /nfs/dbraw/zinc/88/12/46/929881246.db2.gz MVGBREYPUDYOOJ-QGZVFWFLSA-N 1 0 371.828 3.764 20 30 FHEDRO C[C@H](NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000610324069 929944834 /nfs/dbraw/zinc/94/48/34/929944834.db2.gz LUYWCFNHIZIYTO-INIZCTEOSA-N 1 0 366.465 3.771 20 30 FHEDRO CCC[N@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001167337200 929989784 /nfs/dbraw/zinc/98/97/84/929989784.db2.gz JUGOEOAOCGJTKW-YADHBBJMSA-N 1 0 369.553 3.808 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sccc1Br)C(C)C ZINC000047851878 930003018 /nfs/dbraw/zinc/00/30/18/930003018.db2.gz LRIIBYDDLXOQQV-AWEZNQCLSA-N 1 0 371.344 3.939 20 30 FHEDRO CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000748133809 930013225 /nfs/dbraw/zinc/01/32/25/930013225.db2.gz QWUVJZPVAKUKOI-UHFFFAOYSA-N 1 0 369.469 3.521 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(Br)c1 ZINC000610343415 930044469 /nfs/dbraw/zinc/04/44/69/930044469.db2.gz GHJMGPATYVMKKQ-CHWSQXEVSA-N 1 0 372.266 3.999 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(C#N)c1 ZINC000610346087 930047437 /nfs/dbraw/zinc/04/74/37/930047437.db2.gz KEDOPYXELBYZFY-OLZOCXBDSA-N 1 0 352.825 3.761 20 30 FHEDRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610345970 930047920 /nfs/dbraw/zinc/04/79/20/930047920.db2.gz FKFWSLBJQVNVQR-OLZOCXBDSA-N 1 0 357.841 3.898 20 30 FHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000471507936 930079850 /nfs/dbraw/zinc/07/98/50/930079850.db2.gz OUZYHZYDCDEPMG-KDURUIRLSA-N 1 0 373.541 3.662 20 30 FHEDRO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000177695853 930163621 /nfs/dbraw/zinc/16/36/21/930163621.db2.gz ASRLEKHKKOPFDY-CQSZACIVSA-N 1 0 362.296 3.751 20 30 FHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)C[C@@H]1[NH+]1CCCC1 ZINC000579468213 930322320 /nfs/dbraw/zinc/32/23/20/930322320.db2.gz XEFKFGSOWRIGQX-IRXDYDNUSA-N 1 0 372.925 3.776 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124657064 930412776 /nfs/dbraw/zinc/41/27/76/930412776.db2.gz PMWYUAKVOIGVGK-YESZJQIVSA-N 1 0 357.416 3.866 20 30 FHEDRO Cn1c2ccccc2cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1=O ZINC000580269022 930423756 /nfs/dbraw/zinc/42/37/56/930423756.db2.gz ZMKOJEPCTYSREG-NRFANRHFSA-N 1 0 357.457 3.967 20 30 FHEDRO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)sc1C ZINC000328711274 930501018 /nfs/dbraw/zinc/50/10/18/930501018.db2.gz NBIXMNOSUNHQCG-HIDABVQQSA-N 1 0 365.543 3.998 20 30 FHEDRO C[C@@H]1C[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000379681128 930530583 /nfs/dbraw/zinc/53/05/83/930530583.db2.gz PFPDYNSWICXLEA-DNVCBOLYSA-N 1 0 350.422 3.931 20 30 FHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ccc(C#N)cc1 ZINC000471565518 930566931 /nfs/dbraw/zinc/56/69/31/930566931.db2.gz DVXKLMCOAPYSOZ-IRXDYDNUSA-N 1 0 362.477 3.836 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3cc(F)ccc32)c(OC)c1 ZINC000580460942 930701937 /nfs/dbraw/zinc/70/19/37/930701937.db2.gz VABIMKNBNHFTOY-QUCCMNQESA-N 1 0 371.452 3.580 20 30 FHEDRO COc1cc2nc(C)sc2cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328747256 930895960 /nfs/dbraw/zinc/89/59/60/930895960.db2.gz LOWFZVWDNSGKFA-IUODEOHRSA-N 1 0 360.483 3.566 20 30 FHEDRO CCOCCC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944088 930990034 /nfs/dbraw/zinc/99/00/34/930990034.db2.gz QGZVCLLJJLTGHW-RKDXNWHRSA-N 1 0 355.269 3.516 20 30 FHEDRO COc1cc(C[N@H+](CCc2ccccn2)Cc2ccncc2)ccc1C#N ZINC000580677970 931004691 /nfs/dbraw/zinc/00/46/91/931004691.db2.gz RPSCMNFAXHDHHT-UHFFFAOYSA-N 1 0 358.445 3.602 20 30 FHEDRO C[NH+]1CCN(c2ccc(CNc3ncc(C#N)c4ccsc43)cc2)CC1 ZINC001167431338 931046328 /nfs/dbraw/zinc/04/63/28/931046328.db2.gz UGBONFROMHWMFC-UHFFFAOYSA-N 1 0 363.490 3.532 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000580723151 931056020 /nfs/dbraw/zinc/05/60/20/931056020.db2.gz QSZXROKCHQXRED-FUHWJXTLSA-N 1 0 355.507 3.536 20 30 FHEDRO CCOc1ccccc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160643544 931181219 /nfs/dbraw/zinc/18/12/19/931181219.db2.gz GFBFKJGHDRESFJ-UHFFFAOYSA-N 1 0 353.344 3.911 20 30 FHEDRO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328756454 931326646 /nfs/dbraw/zinc/32/66/46/931326646.db2.gz UFDWYNJTSWWOPU-KRWDZBQOSA-N 1 0 371.481 3.834 20 30 FHEDRO COc1c(C)cnc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1C ZINC000160698363 931366868 /nfs/dbraw/zinc/36/68/68/931366868.db2.gz VEKHBOXZOIRKGZ-UHFFFAOYSA-N 1 0 368.359 3.532 20 30 FHEDRO C[N@@H+]1CCCN(c2ccc(N=Cc3cc4ccccc4[nH]c3=O)cc2)CC1 ZINC000255238855 931388106 /nfs/dbraw/zinc/38/81/06/931388106.db2.gz BSVMTJXWJKMRJO-UHFFFAOYSA-N 1 0 360.461 3.833 20 30 FHEDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000255955595 931516472 /nfs/dbraw/zinc/51/64/72/931516472.db2.gz SMCHERXFBMMJLJ-VKJFTORMSA-N 1 0 366.427 3.587 20 30 FHEDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C1(C)C ZINC000477062342 931793140 /nfs/dbraw/zinc/79/31/40/931793140.db2.gz XHBSFMIGKXGXRH-HZPDHXFCSA-N 1 0 363.527 3.864 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1CCS(=O)(=O)CC1 ZINC000187418620 932213473 /nfs/dbraw/zinc/21/34/73/932213473.db2.gz LVWYSFDQJXFKMJ-INIZCTEOSA-N 1 0 368.502 3.528 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)c1nc(C)cs1)C(C)C ZINC000069772069 932342807 /nfs/dbraw/zinc/34/28/07/932342807.db2.gz CGQJVENUSJZUDE-CVEARBPZSA-N 1 0 350.532 3.510 20 30 FHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2OC)cc1 ZINC000157333341 932354960 /nfs/dbraw/zinc/35/49/60/932354960.db2.gz VRCQYFNXVQZEHX-LJQANCHMSA-N 1 0 352.434 3.791 20 30 FHEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000156311129 932355214 /nfs/dbraw/zinc/35/52/14/932355214.db2.gz UPTGJSZJTCFFRV-NHCUHLMSSA-N 1 0 370.880 3.691 20 30 FHEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000156311265 932355298 /nfs/dbraw/zinc/35/52/98/932355298.db2.gz UPTGJSZJTCFFRV-LEWJYISDSA-N 1 0 370.880 3.691 20 30 FHEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000477167982 932362540 /nfs/dbraw/zinc/36/25/40/932362540.db2.gz YSZJKBCVVWLBMQ-HXUWFJFHSA-N 1 0 364.445 3.935 20 30 FHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)C1 ZINC000292928991 932628987 /nfs/dbraw/zinc/62/89/87/932628987.db2.gz YVBZGTPBKDCWSQ-VNHYZAJKSA-N 1 0 363.387 3.620 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)[C@H]1COc2ccccc21 ZINC000581842242 932726076 /nfs/dbraw/zinc/72/60/76/932726076.db2.gz ABCXYLOYPYBLMF-SJKOYZFVSA-N 1 0 357.251 3.975 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](c3ccc(C)cc3C)C2)CC1 ZINC000471807754 932989732 /nfs/dbraw/zinc/98/97/32/932989732.db2.gz CURKCXULYZKUNR-IBGZPJMESA-N 1 0 355.526 3.843 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000548358303 933083439 /nfs/dbraw/zinc/08/34/39/933083439.db2.gz UPCWAUKCZAAWDD-LAUBAEHRSA-N 1 0 359.473 3.542 20 30 FHEDRO Cc1ccc(CCCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000430763338 933217260 /nfs/dbraw/zinc/21/72/60/933217260.db2.gz ASXJDQJDMIEQPO-UHFFFAOYSA-N 1 0 367.518 3.595 20 30 FHEDRO C=CCc1cc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc(OC)c1OC ZINC000548388275 933272611 /nfs/dbraw/zinc/27/26/11/933272611.db2.gz DHHWRXYKRCYFMM-UHFFFAOYSA-N 1 0 374.525 3.703 20 30 FHEDRO CC(C)C[C@H](CNC(=O)NCC1(CC#N)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000430843432 933303797 /nfs/dbraw/zinc/30/37/97/933303797.db2.gz XXCCEFJBXUBMGZ-PKOBYXMFSA-N 1 0 356.514 3.745 20 30 FHEDRO C[C@H]1C[C@H](CCNC(=O)Nc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510719467 933517539 /nfs/dbraw/zinc/51/75/39/933517539.db2.gz KYNKTNBBBWYZKB-PXNSSMCTSA-N 1 0 362.477 3.980 20 30 FHEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000562981878 933579548 /nfs/dbraw/zinc/57/95/48/933579548.db2.gz CLAGWQSXOYBRGP-BXWFABGCSA-N 1 0 374.916 3.858 20 30 FHEDRO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000458046722 933829303 /nfs/dbraw/zinc/82/93/03/933829303.db2.gz YIZNKRSLFKGFKB-STQMWFEESA-N 1 0 367.287 3.683 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000092144478 933891727 /nfs/dbraw/zinc/89/17/27/933891727.db2.gz JHRWBQZRCRASFS-UHFFFAOYSA-N 1 0 356.510 3.722 20 30 FHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000178403400 933956632 /nfs/dbraw/zinc/95/66/32/933956632.db2.gz DCMDSTPMBCSNKK-UHFFFAOYSA-N 1 0 369.490 3.572 20 30 FHEDRO N#CCCC[C@@H](NC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000891918227 934033540 /nfs/dbraw/zinc/03/35/40/934033540.db2.gz UQWYXKMNHWZKCO-OAQYLSRUSA-N 1 0 362.477 3.567 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(CNc2nccc(C)c2C#N)cc1OC ZINC000561768971 934106990 /nfs/dbraw/zinc/10/69/90/934106990.db2.gz BMCHUDPJVMOKOW-UHFFFAOYSA-N 1 0 368.481 3.603 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000548487348 934149819 /nfs/dbraw/zinc/14/98/19/934149819.db2.gz XIIFMOVVRQUPGN-MBOZVWFJSA-N 1 0 357.498 3.746 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000548487347 934149941 /nfs/dbraw/zinc/14/99/41/934149941.db2.gz XIIFMOVVRQUPGN-FUHIMQAGSA-N 1 0 357.498 3.746 20 30 FHEDRO CC1CC(C#N)(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535696242 934290253 /nfs/dbraw/zinc/29/02/53/934290253.db2.gz MVJUBUQDTIXRKH-ZFMKJXKLSA-N 1 0 363.864 3.528 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176137761 934300223 /nfs/dbraw/zinc/30/02/23/934300223.db2.gz UNSCXLCISKASPN-PGRDOPGGSA-N 1 0 361.489 3.660 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176142058 934310894 /nfs/dbraw/zinc/31/08/94/934310894.db2.gz UVXDEBSSSXKKBQ-QGZVFWFLSA-N 1 0 355.482 3.939 20 30 FHEDRO Cc1nc([C@H](C)NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cs1 ZINC000329010380 934369010 /nfs/dbraw/zinc/36/90/10/934369010.db2.gz HXDQGQNHGNOEAF-ZDUSSCGKSA-N 1 0 350.532 3.671 20 30 FHEDRO C[C@@H](O)C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000535798250 934392431 /nfs/dbraw/zinc/39/24/31/934392431.db2.gz NTYOYTRZOPENCX-LJQANCHMSA-N 1 0 374.488 3.847 20 30 FHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000458220833 934392532 /nfs/dbraw/zinc/39/25/32/934392532.db2.gz JMSNHDYZKQHGKY-UHFFFAOYSA-N 1 0 353.491 3.507 20 30 FHEDRO Cc1noc(C[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2)n1 ZINC000277115993 934495044 /nfs/dbraw/zinc/49/50/44/934495044.db2.gz NDIQLJRQWWHWAN-YWZLYKJASA-N 1 0 362.433 3.915 20 30 FHEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000610829973 934502735 /nfs/dbraw/zinc/50/27/35/934502735.db2.gz VDJBKKXEADKUCT-LSDHHAIUSA-N 1 0 367.449 3.643 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610905851 934608421 /nfs/dbraw/zinc/60/84/21/934608421.db2.gz AUOWCMYSMOJGOY-LJQANCHMSA-N 1 0 362.477 3.900 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000610987388 934692990 /nfs/dbraw/zinc/69/29/90/934692990.db2.gz KTFDOFDGQQICNE-HXUWFJFHSA-N 1 0 368.452 3.691 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)ccc1OC ZINC000142999255 934743508 /nfs/dbraw/zinc/74/35/08/934743508.db2.gz KXUGILRQPJIYDG-QGZVFWFLSA-N 1 0 354.450 3.506 20 30 FHEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000538394633 934837457 /nfs/dbraw/zinc/83/74/57/934837457.db2.gz IQXQBBVXXGTXIP-YFXJRYMSSA-N 1 0 363.505 3.888 20 30 FHEDRO C=CCOc1cccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000511003878 934853533 /nfs/dbraw/zinc/85/35/33/934853533.db2.gz VQUCEIASQHSIDM-LJQANCHMSA-N 1 0 353.466 3.546 20 30 FHEDRO N#Cc1ccc([C@@H](O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000156709822 934896286 /nfs/dbraw/zinc/89/62/86/934896286.db2.gz GAUXZEOGYMAUMS-ZCNNSNEGSA-N 1 0 354.450 3.553 20 30 FHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000119678859 935015305 /nfs/dbraw/zinc/01/53/05/935015305.db2.gz NQYRRYKATWWOAM-UHFFFAOYSA-N 1 0 373.416 3.610 20 30 FHEDRO N#Cc1ccc(O[C@H]2CCN(Cc3nc(-c4ccccc4)cs3)C2)nc1 ZINC000582039287 935158833 /nfs/dbraw/zinc/15/88/33/935158833.db2.gz IBELDTUJTXVQGD-KRWDZBQOSA-N 1 0 362.458 3.730 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000660510817 945083143 /nfs/dbraw/zinc/08/31/43/945083143.db2.gz GRMVFBVBUXKUSB-GOSISDBHSA-N 1 0 361.555 3.958 20 30 FHEDRO C=CCCn1cc(CNCc2ccccc2C[N@@H+](C)C2CCCCC2)nn1 ZINC000657323429 935214214 /nfs/dbraw/zinc/21/42/14/935214214.db2.gz BAPVVEXUTLCVTI-UHFFFAOYSA-N 1 0 367.541 3.909 20 30 FHEDRO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H]1CCCOC1 ZINC000119791764 935222967 /nfs/dbraw/zinc/22/29/67/935222967.db2.gz ZTDUSOMKZDQLMG-OAQYLSRUSA-N 1 0 350.462 3.996 20 30 FHEDRO N#Cc1cccc(C2([NH2+]Cc3cnc4ccc(Br)cn34)CC2)c1 ZINC000551230026 935223073 /nfs/dbraw/zinc/22/30/73/935223073.db2.gz HGQTXEWMEWRKJE-UHFFFAOYSA-N 1 0 367.250 3.747 20 30 FHEDRO COc1ccc(C[NH2+][C@H]2COc3c(C)cccc3C2)cc1OCCCC#N ZINC000582092393 935242593 /nfs/dbraw/zinc/24/25/93/935242593.db2.gz PKDZBAKTFWBJPG-LJQANCHMSA-N 1 0 366.461 3.780 20 30 FHEDRO C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051425951 935247031 /nfs/dbraw/zinc/24/70/31/935247031.db2.gz CWDATJZVTLWQCF-WBVHZDCISA-N 1 0 358.869 3.839 20 30 FHEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051425867 935247069 /nfs/dbraw/zinc/24/70/69/935247069.db2.gz RKGKYHQVSMBFRL-KXBFYZLASA-N 1 0 358.869 3.839 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)[C@@H]1n1cccn1 ZINC000551317535 935253357 /nfs/dbraw/zinc/25/33/57/935253357.db2.gz MWYLDGWZIWZUJM-BURNTYAHSA-N 1 0 350.466 3.531 20 30 FHEDRO CN(C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1CCCc2ccccc21 ZINC000551411429 935275867 /nfs/dbraw/zinc/27/58/67/935275867.db2.gz HZMIWGQWHQCNQD-OAQYLSRUSA-N 1 0 359.473 3.673 20 30 FHEDRO CCCCCCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000728472501 935292305 /nfs/dbraw/zinc/29/23/05/935292305.db2.gz BHVFETQRIBHJJJ-SFHVURJKSA-N 1 0 359.514 3.683 20 30 FHEDRO Cn1cc(C[NH+]2CCC(Nc3cccc(Br)c3)CC2)cc1C#N ZINC000435034337 935301226 /nfs/dbraw/zinc/30/12/26/935301226.db2.gz MNHMBUKJWDRRFB-UHFFFAOYSA-N 1 0 373.298 3.736 20 30 FHEDRO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000519598113 945092481 /nfs/dbraw/zinc/09/24/81/945092481.db2.gz SFBVXQXTYAPDPV-KKSFZXQISA-N 1 0 366.461 3.580 20 30 FHEDRO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507270001 945095780 /nfs/dbraw/zinc/09/57/80/945095780.db2.gz MESQMZMIPSXLLC-HXUWFJFHSA-N 1 0 370.537 3.634 20 30 FHEDRO N#Cc1ccc(OCCC[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000051531708 935433888 /nfs/dbraw/zinc/43/38/88/935433888.db2.gz SYUGIOGEWUGFJR-QFIPXVFZSA-N 1 0 350.462 3.773 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3c4ccccc4C[C@H]3O)c2)c1 ZINC000085334704 935447195 /nfs/dbraw/zinc/44/71/95/935447195.db2.gz BOJUCRQKYUOHDV-RPWUZVMVSA-N 1 0 370.452 3.885 20 30 FHEDRO Cc1cnc(C2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)s1 ZINC000277542240 935506420 /nfs/dbraw/zinc/50/64/20/935506420.db2.gz VLQKGKJSKRKZBD-AWEZNQCLSA-N 1 0 354.479 3.530 20 30 FHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC1CCC(c2ccccc2)CC1 ZINC000548728282 935529187 /nfs/dbraw/zinc/52/91/87/935529187.db2.gz ADLWNAOGPRJUTM-UHFFFAOYSA-N 1 0 351.498 3.532 20 30 FHEDRO CCOC(=O)[C@H](CC)N(Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000582332589 935535499 /nfs/dbraw/zinc/53/54/99/935535499.db2.gz TXUFOJMJIWIHOD-INIZCTEOSA-N 1 0 354.372 3.883 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178570907 935583666 /nfs/dbraw/zinc/58/36/66/935583666.db2.gz BUIVUAPEHZKCFE-UHFFFAOYSA-N 1 0 362.477 3.961 20 30 FHEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511111900 935621396 /nfs/dbraw/zinc/62/13/96/935621396.db2.gz WOTXREGEWVCCBB-ZBFHGGJFSA-N 1 0 367.415 3.645 20 30 FHEDRO C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000582423120 935682308 /nfs/dbraw/zinc/68/23/08/935682308.db2.gz IBGCTFSXKOSYDR-DAXOMENPSA-N 1 0 353.388 3.636 20 30 FHEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c(-c2ccccc2)n1 ZINC000611609595 935733384 /nfs/dbraw/zinc/73/33/84/935733384.db2.gz RGUKPNCXZCGAOI-QGZVFWFLSA-N 1 0 360.408 3.667 20 30 FHEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001167577844 935751834 /nfs/dbraw/zinc/75/18/34/935751834.db2.gz WFMRYNSZUHPCDZ-RHSMWYFYSA-N 1 0 369.292 3.624 20 30 FHEDRO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2C)cc1OCCCC#N ZINC000112374597 935775240 /nfs/dbraw/zinc/77/52/40/935775240.db2.gz PVSYPBVSTGPSLE-IBGZPJMESA-N 1 0 354.450 3.509 20 30 FHEDRO C=CCc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)cc(OC)c1OC ZINC000152687356 935812705 /nfs/dbraw/zinc/81/27/05/935812705.db2.gz KXKXKORCKHIFSR-MRXNPFEDSA-N 1 0 372.509 3.521 20 30 FHEDRO COCc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000113318304 935816176 /nfs/dbraw/zinc/81/61/76/935816176.db2.gz MWGQMNNNHQAOBF-UHFFFAOYSA-N 1 0 360.461 3.900 20 30 FHEDRO CC(C)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCC(C)CC1 ZINC000479370827 935831133 /nfs/dbraw/zinc/83/11/33/935831133.db2.gz FFKNDAMDLXXXNN-HXUWFJFHSA-N 1 0 368.525 3.603 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000375716895 935836633 /nfs/dbraw/zinc/83/66/33/935836633.db2.gz DPYFNMFZCUIMKI-TZIWHRDSSA-N 1 0 369.509 3.811 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000237234375 935845614 /nfs/dbraw/zinc/84/56/14/935845614.db2.gz VHSMZGPCCPPHST-KRWDZBQOSA-N 1 0 353.462 3.827 20 30 FHEDRO Cc1[nH]c2ccc(C(=O)NCC3([NH+]4CCCC4)CCOCC3)cc2c1C ZINC000329082650 935852308 /nfs/dbraw/zinc/85/23/08/935852308.db2.gz DUSHPBRHBXMDBE-UHFFFAOYSA-N 1 0 355.482 3.734 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCOC2)cc1OC ZINC000237278989 935882215 /nfs/dbraw/zinc/88/22/15/935882215.db2.gz QHNSXEXGSQSJAT-CYBMUJFWSA-N 1 0 370.287 3.539 20 30 FHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000075926160 936017530 /nfs/dbraw/zinc/01/75/30/936017530.db2.gz YQXMFHMUSPSNRX-QGZVFWFLSA-N 1 0 367.415 3.571 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2cccnc2N2CCCC2)ccc1OC ZINC000657569198 936034643 /nfs/dbraw/zinc/03/46/43/936034643.db2.gz GKDJOIRKHMBBDJ-UHFFFAOYSA-N 1 0 367.493 3.935 20 30 FHEDRO C=CCOc1ccc(C[NH2+]Cc2cccnc2N2CCCC2)cc1OC ZINC000657571899 936041010 /nfs/dbraw/zinc/04/10/10/936041010.db2.gz YYXXOUHWVQWXLX-UHFFFAOYSA-N 1 0 353.466 3.545 20 30 FHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000518173094 945142203 /nfs/dbraw/zinc/14/22/03/945142203.db2.gz SFVKRPVOYNZJAJ-HXUWFJFHSA-N 1 0 351.450 3.662 20 30 FHEDRO N#CCC[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000160578491 936090962 /nfs/dbraw/zinc/09/09/62/936090962.db2.gz QLVDLJBFBNFRCJ-PMACEKPBSA-N 1 0 354.498 3.691 20 30 FHEDRO C[NH+]=C(NCc1nccs1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000119575451 936128846 /nfs/dbraw/zinc/12/88/46/936128846.db2.gz ZJBRDRVNAXYSDK-OAHLLOKOSA-N 1 0 356.495 3.645 20 30 FHEDRO Cc1nnc(NC(=O)[C@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1C1CC1 ZINC000329109480 936129542 /nfs/dbraw/zinc/12/95/42/936129542.db2.gz FZRNAMAIRHNIBE-UTKZUKDTSA-N 1 0 365.481 3.812 20 30 FHEDRO CCc1cccc(NC(=O)CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000329110199 936139348 /nfs/dbraw/zinc/13/93/48/936139348.db2.gz JGXPVTZDJRVHPN-IBGZPJMESA-N 1 0 372.513 3.701 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000097595807 936199024 /nfs/dbraw/zinc/19/90/24/936199024.db2.gz NIJGLILIRZZUPB-OAHLLOKOSA-N 1 0 360.527 3.934 20 30 FHEDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(C#Cc3ccccc3)cc1)CC2 ZINC000582937510 936303821 /nfs/dbraw/zinc/30/38/21/936303821.db2.gz YUBJNMZRTDMHNW-UHFFFAOYSA-N 1 0 358.485 3.787 20 30 FHEDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(F)c1 ZINC000161810389 936310976 /nfs/dbraw/zinc/31/09/76/936310976.db2.gz ZAFGSYIHHDNFBR-UHFFFAOYSA-N 1 0 354.429 3.602 20 30 FHEDRO CCC[N@H+](CCOc1ccccc1C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000507346162 945159846 /nfs/dbraw/zinc/15/98/46/945159846.db2.gz GFMVGOAAQDJDPB-QGZVFWFLSA-N 1 0 351.450 3.676 20 30 FHEDRO C=C(C)[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000511804311 945161201 /nfs/dbraw/zinc/16/12/01/945161201.db2.gz CTKOYPGOKDZTDG-WOJBJXKFSA-N 1 0 358.526 3.775 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000329135491 938263510 /nfs/dbraw/zinc/26/35/10/938263510.db2.gz CGAVNJBYULNENJ-NEWSRXKRSA-N 1 0 367.497 3.686 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(C#N)cs1 ZINC000511802693 945161658 /nfs/dbraw/zinc/16/16/58/945161658.db2.gz SYXBILWYRWALCT-GOSISDBHSA-N 1 0 353.491 3.650 20 30 FHEDRO Cc1cc[n+](C(C(=O)c2nccs2)C(=S)N[C@H]2CCCC[C@H]2C)cc1 ZINC000278268400 938265122 /nfs/dbraw/zinc/26/51/22/938265122.db2.gz OMVHSNUDMRLGNG-CABCVRRESA-O 1 0 374.555 3.846 20 30 FHEDRO C[C@H](CCc1ccccc1F)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161704935 938270368 /nfs/dbraw/zinc/27/03/68/938270368.db2.gz JTERDYLOXVIIRK-MRXNPFEDSA-N 1 0 352.457 3.672 20 30 FHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(N(C)C)cc1 ZINC000161707222 938278931 /nfs/dbraw/zinc/27/89/31/938278931.db2.gz IXOQRWFHZSDZLB-NRFANRHFSA-N 1 0 363.509 3.729 20 30 FHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(N(C)C)cc1 ZINC000161707350 938279478 /nfs/dbraw/zinc/27/94/78/938279478.db2.gz IXOQRWFHZSDZLB-OAQYLSRUSA-N 1 0 363.509 3.729 20 30 FHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c(O[C@H]2CCOC2)c1 ZINC000262331185 938280540 /nfs/dbraw/zinc/28/05/40/938280540.db2.gz BATZVYICJFBZJM-FQEVSTJZSA-N 1 0 365.477 3.578 20 30 FHEDRO C[C@@H]1C[C@H](CCNC(=O)NCC(C)(C)CC#N)C[N@@H+]1Cc1ccccc1 ZINC000458588212 938303736 /nfs/dbraw/zinc/30/37/36/938303736.db2.gz KUJYAVHZIWBUFP-MJGOQNOKSA-N 1 0 356.514 3.526 20 30 FHEDRO COCCC1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000156933674 938305187 /nfs/dbraw/zinc/30/51/87/938305187.db2.gz GTJWMQJNMZCEGV-UHFFFAOYSA-N 1 0 359.392 3.909 20 30 FHEDRO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329294319 938331072 /nfs/dbraw/zinc/33/10/72/938331072.db2.gz OENCTIVQJBBNLA-KRWDZBQOSA-N 1 0 371.481 3.834 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(OC)c1 ZINC000052485648 938336240 /nfs/dbraw/zinc/33/62/40/938336240.db2.gz NOFLPRIUVSWADA-UHFFFAOYSA-N 1 0 372.538 3.793 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@@H](C)C1 ZINC000246214806 938349758 /nfs/dbraw/zinc/34/97/58/938349758.db2.gz ONEPGEXVHGJBPR-MAUKXSAKSA-N 1 0 358.486 3.539 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246476573 938367985 /nfs/dbraw/zinc/36/79/85/938367985.db2.gz OQZFBNHELOGBHC-XHSDSOJGSA-N 1 0 358.511 3.781 20 30 FHEDRO C=C(C)[C@@H](NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000458675392 938410238 /nfs/dbraw/zinc/41/02/38/938410238.db2.gz OQQLXNFREXKSNC-RDTXWAMCSA-N 1 0 351.441 3.613 20 30 FHEDRO COc1cccc(C2(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000583901505 938474738 /nfs/dbraw/zinc/47/47/38/938474738.db2.gz GFUHZFPKBVHENM-UHFFFAOYSA-N 1 0 372.472 3.789 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000583921044 938487326 /nfs/dbraw/zinc/48/73/26/938487326.db2.gz GHWMZDCNRXULFA-PWIZWCRZSA-N 1 0 371.431 3.637 20 30 FHEDRO CC#CCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000158326877 938505898 /nfs/dbraw/zinc/50/58/98/938505898.db2.gz KXYDDQQHYMFEEU-UHFFFAOYSA-N 1 0 361.077 3.723 20 30 FHEDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@@H]2C1 ZINC000583986671 938521719 /nfs/dbraw/zinc/52/17/19/938521719.db2.gz DQCICCCCSMTESJ-FMCUHYGQSA-N 1 0 365.521 3.627 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000519168330 945186903 /nfs/dbraw/zinc/18/69/03/945186903.db2.gz WSALBDSFPWFYNA-QITLCBANSA-N 1 0 365.930 3.909 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000179036240 938572951 /nfs/dbraw/zinc/57/29/51/938572951.db2.gz OZYFJZOYJXMJFP-INIZCTEOSA-N 1 0 363.465 3.609 20 30 FHEDRO C=CCN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411097 938576612 /nfs/dbraw/zinc/57/66/12/938576612.db2.gz YSNUNYGOJDDAIJ-MDNUFGMLSA-N 1 0 353.554 3.527 20 30 FHEDRO CC(=O)N[C@H](CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccs1 ZINC000329651308 938576699 /nfs/dbraw/zinc/57/66/99/938576699.db2.gz CTBPIMJWGQJELU-QGZVFWFLSA-N 1 0 363.527 3.633 20 30 FHEDRO C=CCn1c(SCC[NH+]2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccccn1 ZINC000584064781 938580526 /nfs/dbraw/zinc/58/05/26/938580526.db2.gz NDHUOXIJOJAFAZ-HZPDHXFCSA-N 1 0 357.527 3.596 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000584088618 938590757 /nfs/dbraw/zinc/59/07/57/938590757.db2.gz XXIZHRYSZUHFCI-YLJYHZDGSA-N 1 0 350.441 3.728 20 30 FHEDRO CSCCCCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278650652 938620802 /nfs/dbraw/zinc/62/08/02/938620802.db2.gz MHSUCPVIOIUHJU-UHFFFAOYSA-N 1 0 357.527 3.872 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(-c3ccccc3F)oc2C)CC1 ZINC000159232858 938640166 /nfs/dbraw/zinc/64/01/66/938640166.db2.gz PJSHTGCSQHARDC-UHFFFAOYSA-N 1 0 357.429 3.559 20 30 FHEDRO CCCCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000584243939 938654707 /nfs/dbraw/zinc/65/47/07/938654707.db2.gz FRFOAWDZIYXVME-QGZVFWFLSA-N 1 0 365.477 3.704 20 30 FHEDRO CC#CCCCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248631386 938682242 /nfs/dbraw/zinc/68/22/42/938682242.db2.gz RBBVBUXRNVJJBN-KXBFYZLASA-N 1 0 350.865 3.782 20 30 FHEDRO CC[N@H+](CCNC(=O)c1ccc(C(F)(F)F)c(F)c1)CCC(F)(F)F ZINC000427222147 945196614 /nfs/dbraw/zinc/19/66/14/945196614.db2.gz GMLQIRUMAYIXCN-UHFFFAOYSA-N 1 0 374.300 3.849 20 30 FHEDRO N#CCCn1cc(C[NH2+]C2CC(c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000278733589 938696086 /nfs/dbraw/zinc/69/60/86/938696086.db2.gz USPJZCUOQJGHNM-UHFFFAOYSA-N 1 0 357.461 3.895 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000657851080 938782276 /nfs/dbraw/zinc/78/22/76/938782276.db2.gz LKXFYWFLOVYKLP-HLAWJBBLSA-N 1 0 356.510 3.820 20 30 FHEDRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000480281553 938802661 /nfs/dbraw/zinc/80/26/61/938802661.db2.gz WKHKYYARHVXNFE-PXAZEXFGSA-N 1 0 362.271 3.525 20 30 FHEDRO CCOc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c2ncccc12 ZINC000329792454 938811501 /nfs/dbraw/zinc/81/15/01/938811501.db2.gz ACZNXHGXLKYAAJ-MRXNPFEDSA-N 1 0 368.481 3.739 20 30 FHEDRO N#Cc1ccccc1/C=C\C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000255594910 938850984 /nfs/dbraw/zinc/85/09/84/938850984.db2.gz XZSFQEUPNSSEDK-JZHDPFOFSA-N 1 0 351.494 3.686 20 30 FHEDRO C[N@@H+]1CC[C@H](CNC(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000278768748 938851476 /nfs/dbraw/zinc/85/14/76/938851476.db2.gz OGVWMBJYFVOQQC-DYVFJYSZSA-N 1 0 351.853 3.528 20 30 FHEDRO CC[NH+](CC)[C@H](C(=O)N[C@@H](C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000161938343 938943383 /nfs/dbraw/zinc/94/33/83/938943383.db2.gz WTTCXWVAXFRQEA-HOTGVXAUSA-N 1 0 353.388 3.507 20 30 FHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255615512 939006939 /nfs/dbraw/zinc/00/69/39/939006939.db2.gz HXDLMBSLJRQAON-QXMHVHEDSA-N 1 0 359.473 3.694 20 30 FHEDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415008649 945220803 /nfs/dbraw/zinc/22/08/03/945220803.db2.gz NCQOYAIEWPPFCU-OAHLLOKOSA-N 1 0 352.438 3.990 20 30 FHEDRO CC(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCCC1 ZINC000120834413 945221385 /nfs/dbraw/zinc/22/13/85/945221385.db2.gz KTBXSIXVCXEHHE-UHFFFAOYSA-N 1 0 365.481 3.726 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000612106074 939054312 /nfs/dbraw/zinc/05/43/12/939054312.db2.gz QYDAFOBWQSPZIT-PGRDOPGGSA-N 1 0 368.525 3.896 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)c2ccccc2)CC1 ZINC000612114422 939079052 /nfs/dbraw/zinc/07/90/52/939079052.db2.gz FZEVWOAWDQQYIE-IFMALSPDSA-N 1 0 368.525 3.795 20 30 FHEDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1F ZINC000507423424 945226160 /nfs/dbraw/zinc/22/61/60/945226160.db2.gz DAZRDWSRLVTUEU-WOJBJXKFSA-N 1 0 351.425 3.934 20 30 FHEDRO N#CC1(c2ccccn2)CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000548864884 939093483 /nfs/dbraw/zinc/09/34/83/939093483.db2.gz BRUOBUUWOWCGFQ-UHFFFAOYSA-N 1 0 359.832 3.810 20 30 FHEDRO N#CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612132469 939123815 /nfs/dbraw/zinc/12/38/15/939123815.db2.gz TXDITEPFWMFRBH-DNVJHFABSA-N 1 0 373.500 3.783 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612133315 939126011 /nfs/dbraw/zinc/12/60/11/939126011.db2.gz VVWLAJLOJNGEBP-ACIOBRDBSA-N 1 0 373.500 3.897 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000507429964 945231758 /nfs/dbraw/zinc/23/17/58/945231758.db2.gz QXRFUCCNWAZPLL-YJYMSZOUSA-N 1 0 355.388 3.683 20 30 FHEDRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728605238 939187705 /nfs/dbraw/zinc/18/77/05/939187705.db2.gz VDPIUENCNGRHKA-IBGZPJMESA-N 1 0 364.493 3.568 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc1Cl ZINC000438913776 945235740 /nfs/dbraw/zinc/23/57/40/945235740.db2.gz UETVCTNDWVEKPG-UHFFFAOYSA-N 1 0 360.889 3.695 20 30 FHEDRO C=CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255543 945257548 /nfs/dbraw/zinc/25/75/48/945257548.db2.gz OYCKMEMNGRNVLI-LVCYWYKZSA-N 1 0 369.513 3.807 20 30 FHEDRO N#Cc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000124375634 945268227 /nfs/dbraw/zinc/26/82/27/945268227.db2.gz JXCNKAOILZOQRV-UHFFFAOYSA-N 1 0 373.909 3.915 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)c(OCC(F)F)c2)CC1 ZINC000519286589 945273182 /nfs/dbraw/zinc/27/31/82/945273182.db2.gz DQEJRDFFJWFROR-UHFFFAOYSA-N 1 0 367.440 3.801 20 30 FHEDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000167040575 939911693 /nfs/dbraw/zinc/91/16/93/939911693.db2.gz SQSKFLDACOCIEY-BEFAXECRSA-N 1 0 350.422 3.931 20 30 FHEDRO C#CCCCCC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000179671236 939914431 /nfs/dbraw/zinc/91/44/31/939914431.db2.gz NWBQCJKDWLBKNO-UHFFFAOYSA-N 1 0 366.427 3.933 20 30 FHEDRO C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812626 939927855 /nfs/dbraw/zinc/92/78/55/939927855.db2.gz RIUPMCLWNYYDDR-VPWXQRGCSA-N 1 0 355.507 3.994 20 30 FHEDRO C=CC[N@H+](CCC(=O)N1CCc2sccc2C1)CCc1ccccc1 ZINC000065959268 940122587 /nfs/dbraw/zinc/12/25/87/940122587.db2.gz VWPJLAYJPKNZKJ-UHFFFAOYSA-N 1 0 354.519 3.754 20 30 FHEDRO N#Cc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000612584773 940162817 /nfs/dbraw/zinc/16/28/17/940162817.db2.gz NIXZFLHCBJGOBS-UHFFFAOYSA-N 1 0 367.880 3.854 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000179963732 940174709 /nfs/dbraw/zinc/17/47/09/940174709.db2.gz XLFBDNIXWCFZBZ-BFUOFWGJSA-N 1 0 355.388 3.683 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000179963711 940174742 /nfs/dbraw/zinc/17/47/42/940174742.db2.gz XLFBDNIXWCFZBZ-ORAYPTAESA-N 1 0 355.388 3.683 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000612607055 940178390 /nfs/dbraw/zinc/17/83/90/940178390.db2.gz VOZFTBWNGKXXBO-SFHVURJKSA-N 1 0 353.853 3.558 20 30 FHEDRO C=C[C@@H]1CCCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472456077 940208875 /nfs/dbraw/zinc/20/88/75/940208875.db2.gz NGIQSDNROLBKNU-HWOWSKLDSA-N 1 0 359.436 3.542 20 30 FHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548953573 940215014 /nfs/dbraw/zinc/21/50/14/940215014.db2.gz VSYAIJCTEAHASR-UHFFFAOYSA-N 1 0 357.502 3.589 20 30 FHEDRO C[N@H+](C[C@H]1CC12CCN(C(=O)c1cc(C#N)ccc1Cl)CC2)C1CC1 ZINC000376064680 940263708 /nfs/dbraw/zinc/26/37/08/940263708.db2.gz DLMGKSAGDHZLEX-OAHLLOKOSA-N 1 0 357.885 3.548 20 30 FHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000255871449 940277305 /nfs/dbraw/zinc/27/73/05/940277305.db2.gz HHSGUPCKXJPFHG-ZMOVQZPESA-N 1 0 372.509 3.510 20 30 FHEDRO Cn1cc(C[NH2+]CCc2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180032510 940282928 /nfs/dbraw/zinc/28/29/28/940282928.db2.gz OAMIBYQJYWNIFD-UHFFFAOYSA-N 1 0 350.853 3.944 20 30 FHEDRO C[NH+](C)CCOc1cccc(-c2noc(/C=C\c3ccccc3C#N)n2)c1 ZINC000612932301 940343985 /nfs/dbraw/zinc/34/39/85/940343985.db2.gz AUDQMVYGTZPTOL-KHPPLWFESA-N 1 0 360.417 3.719 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000415009745 945316057 /nfs/dbraw/zinc/31/60/57/945316057.db2.gz OGYKMFISJOQZQE-UHFFFAOYSA-N 1 0 350.422 3.742 20 30 FHEDRO C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180071670 940383093 /nfs/dbraw/zinc/38/30/93/940383093.db2.gz INZBWSQUEDKBAH-OXJNMPFZSA-N 1 0 352.482 3.644 20 30 FHEDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)c1 ZINC000376163602 940396174 /nfs/dbraw/zinc/39/61/74/940396174.db2.gz BVAFIXZJPPUFQD-SHQCPXRQSA-N 1 0 369.509 3.544 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)O1 ZINC000376178682 940426718 /nfs/dbraw/zinc/42/67/18/940426718.db2.gz SVEAVUXMLFJXKO-MXEMCNAFSA-N 1 0 367.493 3.755 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(C#N)s1 ZINC000472499582 940437994 /nfs/dbraw/zinc/43/79/94/940437994.db2.gz MKELEXOWOIRVJO-QWHZDKJVSA-N 1 0 353.491 3.506 20 30 FHEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000613255183 940495889 /nfs/dbraw/zinc/49/58/89/940495889.db2.gz RUJOXPZUPHKZMP-NSHGMRRFSA-N 1 0 369.509 3.811 20 30 FHEDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000414096237 940498711 /nfs/dbraw/zinc/49/87/11/940498711.db2.gz ICHVEPSJJBWZCW-PBHICJAKSA-N 1 0 374.282 3.634 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414117120 940607642 /nfs/dbraw/zinc/60/76/42/940607642.db2.gz YQDRYNBSSBVBLE-IIBYNOLFSA-N 1 0 363.461 3.722 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000075267635 940641710 /nfs/dbraw/zinc/64/17/10/940641710.db2.gz FPELXRUGLSKOPX-QGZVFWFLSA-N 1 0 365.477 3.770 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000613378113 940649386 /nfs/dbraw/zinc/64/93/86/940649386.db2.gz YFDBNHDKGAXAHJ-OAQYLSRUSA-N 1 0 355.453 3.959 20 30 FHEDRO N#CCC[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000440247576 945338450 /nfs/dbraw/zinc/33/84/50/945338450.db2.gz XVJATTNJNAJVIR-OAQYLSRUSA-N 1 0 368.525 3.939 20 30 FHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CCOc1ccc(C#N)cc1OC ZINC000174032769 940693191 /nfs/dbraw/zinc/69/31/91/940693191.db2.gz SMGBZUWPQHGYJD-MRXNPFEDSA-N 1 0 354.450 3.517 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1nc(C(C)(C)C)ccc1C#N ZINC000613430005 940701822 /nfs/dbraw/zinc/70/18/22/940701822.db2.gz ZZMBVTIYHKYLFB-UHFFFAOYSA-N 1 0 361.493 3.691 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C(F)(F)F ZINC000892546498 940712968 /nfs/dbraw/zinc/71/29/68/940712968.db2.gz KCDKJNGJXWDRAC-BZUAXINKSA-N 1 0 354.372 3.558 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000613446976 940713289 /nfs/dbraw/zinc/71/32/89/940713289.db2.gz QGKMUOUAYLJXQP-OAHLLOKOSA-N 1 0 366.452 3.621 20 30 FHEDRO Cn1cc(C[NH2+]Cc2cccc3cccnc32)c(-c2ccc(C#N)cc2)n1 ZINC000180154450 940718360 /nfs/dbraw/zinc/71/83/60/940718360.db2.gz YFAIHFYEZCZLFF-UHFFFAOYSA-N 1 0 353.429 3.797 20 30 FHEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613502889 940791325 /nfs/dbraw/zinc/79/13/25/940791325.db2.gz VYYSHLXVYWKEAI-FYYLOGMGSA-N 1 0 364.489 3.590 20 30 FHEDRO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1cccnc1 ZINC000180283436 940919173 /nfs/dbraw/zinc/91/91/73/940919173.db2.gz NKXHIEFXLOHGTK-NRFANRHFSA-N 1 0 359.477 3.883 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC000892603418 940919582 /nfs/dbraw/zinc/91/95/82/940919582.db2.gz LKWZQQIQXXPKNO-XHSDSOJGSA-N 1 0 354.372 3.558 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414310863 940941489 /nfs/dbraw/zinc/94/14/89/940941489.db2.gz XGJQNUDWAVYOHI-PXNSSMCTSA-N 1 0 372.534 3.775 20 30 FHEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC(c2ccc(O)cc2)CC1 ZINC000330123215 945365845 /nfs/dbraw/zinc/36/58/45/945365845.db2.gz KSTCFMKFPULWME-UHFFFAOYSA-N 1 0 371.525 3.893 20 30 FHEDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351044 940986296 /nfs/dbraw/zinc/98/62/96/940986296.db2.gz DCEATDDUMSXALS-KKSFZXQISA-N 1 0 360.461 3.561 20 30 FHEDRO COc1cc(C#N)ccc1OCCN1CC[C@@](F)(c2ccccc2F)C1 ZINC000549079686 941065127 /nfs/dbraw/zinc/06/51/27/941065127.db2.gz IMTRQXCTUHNVCQ-FQEVSTJZSA-N 1 0 358.388 3.655 20 30 FHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C#N)cs2)CC1 ZINC000176874293 941082110 /nfs/dbraw/zinc/08/21/10/941082110.db2.gz XHPCTIUDLNBUQI-UHFFFAOYSA-N 1 0 374.897 3.667 20 30 FHEDRO N#Cc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(Br)c1 ZINC000181117856 941110005 /nfs/dbraw/zinc/11/00/05/941110005.db2.gz RDUGOKQHHPOWSS-QGZVFWFLSA-N 1 0 362.315 3.771 20 30 FHEDRO N#Cc1ccc(C2(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)CC2)cc1 ZINC000188874669 941125046 /nfs/dbraw/zinc/12/50/46/941125046.db2.gz NVHLACZVBBRITJ-UHFFFAOYSA-N 1 0 365.521 3.704 20 30 FHEDRO CC(C)(CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000376560824 941148633 /nfs/dbraw/zinc/14/86/33/941148633.db2.gz HUTPNOLNPNULOH-UHFFFAOYSA-N 1 0 367.415 3.640 20 30 FHEDRO N#CCCCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000163601738 941156033 /nfs/dbraw/zinc/15/60/33/941156033.db2.gz RKFXZPYCKOJNTE-UHFFFAOYSA-N 1 0 363.505 3.714 20 30 FHEDRO CC[C@](C)(O)C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000189719347 941266963 /nfs/dbraw/zinc/26/69/63/941266963.db2.gz MBFCXSJXIYDGRC-FQEVSTJZSA-N 1 0 371.506 3.612 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000178584797 941282013 /nfs/dbraw/zinc/28/20/13/941282013.db2.gz JQSUAMHVMDCYKU-UHFFFAOYSA-N 1 0 372.419 3.741 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000189915612 941303349 /nfs/dbraw/zinc/30/33/49/941303349.db2.gz JAPLHLXWJMTMDS-KRWDZBQOSA-N 1 0 365.452 3.535 20 30 FHEDRO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC#N)cc1 ZINC000181722628 941370266 /nfs/dbraw/zinc/37/02/66/941370266.db2.gz RIBWAVSDGHHCOA-SJORKVTESA-N 1 0 373.497 3.887 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC(C)(C)CCC#N ZINC000376709031 941385392 /nfs/dbraw/zinc/38/53/92/941385392.db2.gz FMWDGUHBQIRRLC-PKOBYXMFSA-N 1 0 356.514 3.526 20 30 FHEDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)c1ccc(C3(C#N)CC3)cc1)CC2)C1CC1 ZINC000376879443 941457077 /nfs/dbraw/zinc/45/70/77/941457077.db2.gz FDQDLYCSOGMHOD-IBGZPJMESA-N 1 0 363.505 3.578 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC(C)(C)CCC#N ZINC000377035804 941499583 /nfs/dbraw/zinc/49/95/83/941499583.db2.gz UPESNIBILQZUCG-SFHVURJKSA-N 1 0 356.514 3.622 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC([NH3+])CC3)cc2Cl)cc1 ZINC000414958957 941522903 /nfs/dbraw/zinc/52/29/03/941522903.db2.gz DZZQNZVKCXHFCQ-UHFFFAOYSA-N 1 0 370.840 3.959 20 30 FHEDRO CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000415002410 941535722 /nfs/dbraw/zinc/53/57/22/941535722.db2.gz DHWWISXSKJNYKQ-UHFFFAOYSA-N 1 0 350.422 3.566 20 30 FHEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415008074 941538089 /nfs/dbraw/zinc/53/80/89/941538089.db2.gz MIFNEMPZFSEIPB-HXUWFJFHSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415013415 941540187 /nfs/dbraw/zinc/54/01/87/941540187.db2.gz UZBNAYIFAMULHS-NVXWUHKLSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H]1C[NH3+] ZINC000415006178 941541872 /nfs/dbraw/zinc/54/18/72/941541872.db2.gz KBTFVWIAMYCTKD-DNVCBOLYSA-N 1 0 364.449 3.942 20 30 FHEDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415004725 941541892 /nfs/dbraw/zinc/54/18/92/941541892.db2.gz IFEIHWZWPLTDSZ-KRWDZBQOSA-N 1 0 352.438 3.990 20 30 FHEDRO C=CCOc1cccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC000415014429 941546538 /nfs/dbraw/zinc/54/65/38/941546538.db2.gz MCMYGBKXALOOOH-VQTJNVASSA-N 1 0 369.440 3.739 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3(C[NH3+])CCCC3)cc2)cc1 ZINC000415032166 941555334 /nfs/dbraw/zinc/55/53/34/941555334.db2.gz FTIDZHFEEIYGRW-UHFFFAOYSA-N 1 0 350.422 3.744 20 30 FHEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415043014 941562412 /nfs/dbraw/zinc/56/24/12/941562412.db2.gz RBOFHHZKHGLVNC-GOEBONIOSA-N 1 0 350.422 3.552 20 30 FHEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415048128 941564816 /nfs/dbraw/zinc/56/48/16/941564816.db2.gz WUJWKRITSQHVDK-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H](C[NH3+])C1 ZINC000415048759 941566197 /nfs/dbraw/zinc/56/61/97/941566197.db2.gz XHOZUMAFGOYSAT-CRAIPNDOSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]1[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000377215715 941566466 /nfs/dbraw/zinc/56/64/66/941566466.db2.gz QZPYLGDWOIZNBW-VLCRHTCISA-N 1 0 373.500 3.711 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000549174196 941587738 /nfs/dbraw/zinc/58/77/38/941587738.db2.gz PRFWFIKPOQHOKZ-CXIVCQEWSA-N 1 0 352.482 3.528 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(C#N)cc1 ZINC000549174200 941587858 /nfs/dbraw/zinc/58/78/58/941587858.db2.gz PRFWFIKPOQHOKZ-NHUHVJRWSA-N 1 0 352.482 3.528 20 30 FHEDRO CCC([NH3+])(CC)CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415150606 941630213 /nfs/dbraw/zinc/63/02/13/941630213.db2.gz QOURLRFVMWDZLA-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO CCC(CC)(C[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415144131 941631298 /nfs/dbraw/zinc/63/12/98/941631298.db2.gz BUZWEHVLQAXWIT-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415152112 941635120 /nfs/dbraw/zinc/63/51/20/941635120.db2.gz BILHCGOAZJPRIP-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)c1 ZINC000415151264 941639375 /nfs/dbraw/zinc/63/93/75/941639375.db2.gz AEGUQPOBEYCXPS-NVXWUHKLSA-N 1 0 350.422 3.742 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc2)c1 ZINC000415151266 941639398 /nfs/dbraw/zinc/63/93/98/941639398.db2.gz AEGUQPOBEYCXPS-WBVHZDCISA-N 1 0 350.422 3.742 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3(C[NH3+])CCCC3)cc2)c1 ZINC000415160344 941642821 /nfs/dbraw/zinc/64/28/21/941642821.db2.gz KZMJCRHHWAQCJY-UHFFFAOYSA-N 1 0 350.422 3.744 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415159999 941643224 /nfs/dbraw/zinc/64/32/24/941643224.db2.gz KMYIAWIGKOLQMD-BEFAXECRSA-N 1 0 358.511 3.688 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[C@@H]1[NH3+] ZINC000415169008 941646329 /nfs/dbraw/zinc/64/63/29/941646329.db2.gz VPJSBFIGGHYOOB-KUHUBIRLSA-N 1 0 350.422 3.552 20 30 FHEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415167600 941648465 /nfs/dbraw/zinc/64/84/65/941648465.db2.gz TZGNFJSYYDINJM-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000415237525 941692333 /nfs/dbraw/zinc/69/23/33/941692333.db2.gz IWEJBLWORQFLHB-LSDHHAIUSA-N 1 0 368.412 3.881 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1F ZINC000415240002 941694767 /nfs/dbraw/zinc/69/47/67/941694767.db2.gz PJOGBTOAVSGVBH-UHFFFAOYSA-N 1 0 368.412 3.692 20 30 FHEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415241237 941695974 /nfs/dbraw/zinc/69/59/74/941695974.db2.gz RQFNYMRUQRCDDY-UONOGXRCSA-N 1 0 368.412 3.691 20 30 FHEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000415237762 941698597 /nfs/dbraw/zinc/69/85/97/941698597.db2.gz JSPSYTZKWXQBIB-INIZCTEOSA-N 1 0 368.412 3.705 20 30 FHEDRO CCc1ccc([C@H](C#N)NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000377417902 941706892 /nfs/dbraw/zinc/70/68/92/941706892.db2.gz INQNOYQUSUSOFC-FQEVSTJZSA-N 1 0 362.477 3.550 20 30 FHEDRO COc1cc(OC)c2ncc(C#N)c(NCCCCC[NH+]3CCCC3)c2c1 ZINC000549240422 941712473 /nfs/dbraw/zinc/71/24/73/941712473.db2.gz UFKQHXMXJFSRGR-UHFFFAOYSA-N 1 0 368.481 3.802 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@H](C[C@@H](C)O)c2ccccc2)cc1Cl ZINC000122399714 941713833 /nfs/dbraw/zinc/71/38/33/941713833.db2.gz VOISTQACJHPOPB-HIFRSBDPSA-N 1 0 361.873 3.630 20 30 FHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C1CCN(c2ccccc2)CC1 ZINC000377484573 941757799 /nfs/dbraw/zinc/75/77/99/941757799.db2.gz LGKSGABATKEWCK-UHFFFAOYSA-N 1 0 368.506 3.549 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000513226517 941797819 /nfs/dbraw/zinc/79/78/19/941797819.db2.gz JZZXKMSOBWEQNT-FQEVSTJZSA-N 1 0 350.462 3.646 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000509921314 941806537 /nfs/dbraw/zinc/80/65/37/941806537.db2.gz YEMSHPSVOVCOBM-UHFFFAOYSA-N 1 0 351.475 3.668 20 30 FHEDRO C=CCCCCNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000472797773 941810212 /nfs/dbraw/zinc/81/02/12/941810212.db2.gz ZDMQIXTUVAYXKY-VQTJNVASSA-N 1 0 357.498 3.629 20 30 FHEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000330132150 941814845 /nfs/dbraw/zinc/81/48/45/941814845.db2.gz QDIPBQAWENJZJZ-QOKNQOGYSA-N 1 0 359.518 3.657 20 30 FHEDRO C=C(C)Cn1c(CC2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460551430 941833704 /nfs/dbraw/zinc/83/37/04/941833704.db2.gz MQBGYMLHJNBHDD-IEBWSBKVSA-N 1 0 359.562 3.896 20 30 FHEDRO CSc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[NH+](C)C)cc1 ZINC000549285376 941841000 /nfs/dbraw/zinc/84/10/00/941841000.db2.gz GTCDWEQJFIJQQS-GOSISDBHSA-N 1 0 356.451 3.903 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000549291024 941857135 /nfs/dbraw/zinc/85/71/35/941857135.db2.gz UJPFAJICKOTDJY-FQEVSTJZSA-N 1 0 365.525 3.832 20 30 FHEDRO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(C)(C#N)CC2)[NH+](C)C)cc1 ZINC000513364381 941870253 /nfs/dbraw/zinc/87/02/53/941870253.db2.gz NONFPBHFAHPUQG-FQEVSTJZSA-N 1 0 370.541 3.823 20 30 FHEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415536092 941889722 /nfs/dbraw/zinc/88/97/22/941889722.db2.gz MNOYRRNNRDNWLF-CABCVRRESA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1ccc([C@H]([NH2+]C2CCC(c3ccc(F)cc3)CC2)C(N)=O)cc1 ZINC000513440426 941925968 /nfs/dbraw/zinc/92/59/68/941925968.db2.gz ZGJTYOYHEBDFIS-GQOXECLESA-N 1 0 351.425 3.540 20 30 FHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000433844815 941933327 /nfs/dbraw/zinc/93/33/27/941933327.db2.gz UHFAHJYSPKAMGF-KRWDZBQOSA-N 1 0 357.502 3.501 20 30 FHEDRO N#Cc1ccc(-c2nnc(CN3CC[C@]4(C3)CCc3ccccc3O4)o2)cc1 ZINC000377733474 941944647 /nfs/dbraw/zinc/94/46/47/941944647.db2.gz WUFQITKOGAYLGS-QFIPXVFZSA-N 1 0 372.428 3.578 20 30 FHEDRO Cc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000513458850 941947387 /nfs/dbraw/zinc/94/73/87/941947387.db2.gz VFUUMPFQLBTCHR-DEOSSOPVSA-N 1 0 369.468 3.862 20 30 FHEDRO C=C(C)C[N@H+](CC)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000513507318 941969083 /nfs/dbraw/zinc/96/90/83/941969083.db2.gz FYMYKJXSZCYDCR-CYBMUJFWSA-N 1 0 362.695 3.740 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000728711706 941987059 /nfs/dbraw/zinc/98/70/59/941987059.db2.gz HGBGNJSYRFSYKS-KRWDZBQOSA-N 1 0 363.461 3.503 20 30 FHEDRO C=C(C)COc1cccc(NC(=O)C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000377809834 942005675 /nfs/dbraw/zinc/00/56/75/942005675.db2.gz UBLCCEDIRDKXOX-UHFFFAOYSA-N 1 0 365.477 3.887 20 30 FHEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000549344808 942020577 /nfs/dbraw/zinc/02/05/77/942020577.db2.gz XKMUQWBPNXJQPO-LJQANCHMSA-N 1 0 353.853 3.930 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000513632097 942046891 /nfs/dbraw/zinc/04/68/91/942046891.db2.gz MZOYLSXSPWMFSC-HSZRJFAPSA-N 1 0 366.505 3.723 20 30 FHEDRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236663326 942090988 /nfs/dbraw/zinc/09/09/88/942090988.db2.gz UTDRYCYSGVCVPM-MRXNPFEDSA-N 1 0 366.465 3.797 20 30 FHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C)c1C#N ZINC000501927940 942117043 /nfs/dbraw/zinc/11/70/43/942117043.db2.gz IUYJIAOXPRWATH-MGPUTAFESA-N 1 0 364.493 3.742 20 30 FHEDRO N#CCCn1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c(-c2ccccc2)n1 ZINC000271173299 942119632 /nfs/dbraw/zinc/11/96/32/942119632.db2.gz DTKUSRZMMBOXRA-UHFFFAOYSA-N 1 0 360.465 3.566 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000501982546 942151897 /nfs/dbraw/zinc/15/18/97/942151897.db2.gz KXAVWGUJEZVMIU-MRXNPFEDSA-N 1 0 362.464 3.955 20 30 FHEDRO COc1ccc(C[NH+]2CCC(c3ccncn3)CC2)cc1OCCCC#N ZINC000414468900 942181555 /nfs/dbraw/zinc/18/15/55/942181555.db2.gz HGQSQTAGUGCSNJ-UHFFFAOYSA-N 1 0 366.465 3.547 20 30 FHEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000280577241 942206371 /nfs/dbraw/zinc/20/63/71/942206371.db2.gz SLFHNBWKESPFLM-NRFANRHFSA-N 1 0 353.466 3.629 20 30 FHEDRO C=CCc1cc(C[NH2+]C2(C(=O)N(CC)CC)CCCCC2)cc(OC)c1O ZINC000236999507 942223638 /nfs/dbraw/zinc/22/36/38/942223638.db2.gz HVGNVIPRPDKHLL-UHFFFAOYSA-N 1 0 374.525 3.790 20 30 FHEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc4ncccc4c3)CC2)cc1 ZINC000122817275 942240208 /nfs/dbraw/zinc/24/02/08/942240208.db2.gz MTLLDBLUMPJYNI-UHFFFAOYSA-N 1 0 356.473 3.814 20 30 FHEDRO C[C@H](CCNC(=O)C1(c2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000187895974 942243068 /nfs/dbraw/zinc/24/30/68/942243068.db2.gz NTTQTTDYIIXMDU-GOSISDBHSA-N 1 0 361.489 3.617 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000481001291 942260072 /nfs/dbraw/zinc/26/00/72/942260072.db2.gz DFQYZOAKBJKLOP-HNNXBMFYSA-N 1 0 351.450 3.764 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](CC(F)(F)F)C3)C2=O)cc1 ZINC000420954401 942273938 /nfs/dbraw/zinc/27/39/38/942273938.db2.gz UUSCMKUFBNLYHZ-RDJZCZTQSA-N 1 0 365.399 3.718 20 30 FHEDRO C[C@@H](C[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501037522 942279753 /nfs/dbraw/zinc/27/97/53/942279753.db2.gz QNKABQICEKAKJS-HNNXBMFYSA-N 1 0 374.410 3.898 20 30 FHEDRO C[C@@H](C[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501100656 942307485 /nfs/dbraw/zinc/30/74/85/942307485.db2.gz JMQASFFPRSOPGD-HNNXBMFYSA-N 1 0 374.410 3.898 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000106329500 942313056 /nfs/dbraw/zinc/31/30/56/942313056.db2.gz TZYOPTFPGQFQEA-FQEVSTJZSA-N 1 0 353.466 3.709 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421061091 942323106 /nfs/dbraw/zinc/32/31/06/942323106.db2.gz LIYGRPDABOJZDL-FHERZECASA-N 1 0 360.527 3.933 20 30 FHEDRO COCc1nccc([C@@H]2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)n1 ZINC000378171147 942351858 /nfs/dbraw/zinc/35/18/58/942351858.db2.gz ZGGSBCCZDXIWMD-GOSISDBHSA-N 1 0 364.493 3.804 20 30 FHEDRO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1OC ZINC000513741859 942353116 /nfs/dbraw/zinc/35/31/16/942353116.db2.gz REKNDHPXRKTRPP-UHFFFAOYSA-N 1 0 352.434 3.619 20 30 FHEDRO COCCOc1ccccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000513742182 942361832 /nfs/dbraw/zinc/36/18/32/942361832.db2.gz UMMKYOFPMAXVAW-UHFFFAOYSA-N 1 0 366.461 3.627 20 30 FHEDRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccc(N(C)CCC#N)cc3)c21 ZINC000180461068 942370973 /nfs/dbraw/zinc/37/09/73/942370973.db2.gz HJJJTZUQDIBIPV-UHFFFAOYSA-N 1 0 362.477 3.859 20 30 FHEDRO C=CCN1CC[C@H]([N@H+](C)C/C(C)=C\c2ccccc2C(F)(F)F)C1=O ZINC000502357303 942377425 /nfs/dbraw/zinc/37/74/25/942377425.db2.gz WUKGSAISGZZVPU-AINHQSCGSA-N 1 0 352.400 3.827 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501346762 942423649 /nfs/dbraw/zinc/42/36/49/942423649.db2.gz HXWJMZLGSUJITG-NRFANRHFSA-N 1 0 370.541 3.990 20 30 FHEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(=O)N1CCc2sccc2C1 ZINC000421323639 942482537 /nfs/dbraw/zinc/48/25/37/942482537.db2.gz ITJLYJPPWYMBLQ-SFHVURJKSA-N 1 0 371.481 3.602 20 30 FHEDRO CC(C)n1ccc(C[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)n1 ZINC000541214704 942494803 /nfs/dbraw/zinc/49/48/03/942494803.db2.gz GPIKEWNWZYIWDM-VQSBYGRUSA-N 1 0 367.497 3.641 20 30 FHEDRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421336621 942508378 /nfs/dbraw/zinc/50/83/78/942508378.db2.gz WZTMGFPJRPRQTA-UHFFFAOYSA-N 1 0 374.481 3.558 20 30 FHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C)c1C#N ZINC000501500155 942511190 /nfs/dbraw/zinc/51/11/90/942511190.db2.gz DFPRTLDVRTZVKX-ORAYPTAESA-N 1 0 368.456 3.822 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000513816499 942534551 /nfs/dbraw/zinc/53/45/51/942534551.db2.gz OUHJOVPXBZHIDN-RTWAWAEBSA-N 1 0 351.490 3.953 20 30 FHEDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513716069 942537433 /nfs/dbraw/zinc/53/74/33/942537433.db2.gz WYGJOBQVRAFVSP-QGZVFWFLSA-N 1 0 365.477 3.597 20 30 FHEDRO Cc1c(Cl)cnc(N2CCC([NH2+]CCOc3ccccc3)CC2)c1C#N ZINC000541274542 942554655 /nfs/dbraw/zinc/55/46/55/942554655.db2.gz WLRRAVBQQJVXRZ-UHFFFAOYSA-N 1 0 370.884 3.553 20 30 FHEDRO COc1ccc(C#N)cc1C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502604022 942576751 /nfs/dbraw/zinc/57/67/51/942576751.db2.gz YLVFXBZWIWWMFT-FQEVSTJZSA-N 1 0 356.853 3.712 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000416287580 942604534 /nfs/dbraw/zinc/60/45/34/942604534.db2.gz FEUNKBBVJUIVCQ-UHFFFAOYSA-N 1 0 365.502 3.675 20 30 FHEDRO C=C1CCC(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)CC1 ZINC001268966799 942604571 /nfs/dbraw/zinc/60/45/71/942604571.db2.gz DHZUYUDIJZICPC-RTWAWAEBSA-N 1 0 361.574 3.528 20 30 FHEDRO CC[N@H+](Cc1ccc(C(=O)NCC#Cc2cccc(F)c2)cc1)C(C)C ZINC000513917023 942607397 /nfs/dbraw/zinc/60/73/97/942607397.db2.gz QAYUUUBFWJTBFN-UHFFFAOYSA-N 1 0 352.453 3.838 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3ccccc3c(OCCC)n2)CC1 ZINC000513719764 942628741 /nfs/dbraw/zinc/62/87/41/942628741.db2.gz DUAAOBNZLNBVGX-UHFFFAOYSA-N 1 0 367.493 3.794 20 30 FHEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000183583054 942636313 /nfs/dbraw/zinc/63/63/13/942636313.db2.gz QDVAHADJAOXNLM-RDJZCZTQSA-N 1 0 350.418 3.703 20 30 FHEDRO Cc1c(C#N)c(C#N)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000421563665 942648815 /nfs/dbraw/zinc/64/88/15/942648815.db2.gz XUCKYICXKJPAED-LJQANCHMSA-N 1 0 358.445 3.589 20 30 FHEDRO C[NH+]=C(NCC1CCSCC1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261844746 942662852 /nfs/dbraw/zinc/66/28/52/942662852.db2.gz WTBJTUJWRBIPTP-ZIAGYGMSSA-N 1 0 351.482 3.663 20 30 FHEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 ZINC000502767599 942726944 /nfs/dbraw/zinc/72/69/44/942726944.db2.gz OQGUNWUBBFZSNT-OAQYLSRUSA-N 1 0 373.497 3.729 20 30 FHEDRO C=CCN(C(=O)N[C@@H](C)c1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363823399 942762487 /nfs/dbraw/zinc/76/24/87/942762487.db2.gz NXBXJNNEUFLNLV-AZUAARDMSA-N 1 0 364.493 3.615 20 30 FHEDRO CC1CCC([N@@H+](CC(=O)Nc2sccc2C#N)C[C@H]2CCCO2)CC1 ZINC000152977541 942770379 /nfs/dbraw/zinc/77/03/79/942770379.db2.gz WNXKPLYUAQWUHP-BDVYOWHSSA-N 1 0 361.511 3.618 20 30 FHEDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000378445476 942776661 /nfs/dbraw/zinc/77/66/61/942776661.db2.gz SPUPPMRNTXWPCU-MOPGFXCFSA-N 1 0 362.433 3.629 20 30 FHEDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000378456372 942789371 /nfs/dbraw/zinc/78/93/71/942789371.db2.gz SXNHAHAPBVNXPS-IKVWTGGYSA-N 1 0 352.482 3.564 20 30 FHEDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000434615171 942802777 /nfs/dbraw/zinc/80/27/77/942802777.db2.gz CMPPNIBNIGUAHR-TZIWHRDSSA-N 1 0 356.441 3.766 20 30 FHEDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000472991016 942809190 /nfs/dbraw/zinc/80/91/90/942809190.db2.gz GUESSJBGQXENDF-UHFFFAOYSA-N 1 0 374.554 3.747 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1)C(=O)N(C)CCC#N ZINC000434634290 942810569 /nfs/dbraw/zinc/81/05/69/942810569.db2.gz RBXCTTIIBUBWDB-ROUUACIJSA-N 1 0 365.477 3.677 20 30 FHEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1cccs1 ZINC000378477327 942812914 /nfs/dbraw/zinc/81/29/14/942812914.db2.gz XLOPZIAKQRXHRM-LPHOPBHVSA-N 1 0 365.502 3.726 20 30 FHEDRO N#CC1(NC(=O)c2cc(Cl)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000378482737 942816407 /nfs/dbraw/zinc/81/64/07/942816407.db2.gz MUTXSJXBQOORKD-UHFFFAOYSA-N 1 0 371.843 3.767 20 30 FHEDRO CCN(CCC#N)C(=O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000505478239 942878428 /nfs/dbraw/zinc/87/84/28/942878428.db2.gz AQHQCWMJZOGNFC-UHFFFAOYSA-N 1 0 367.415 3.826 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cc1 ZINC000236678695 942916076 /nfs/dbraw/zinc/91/60/76/942916076.db2.gz JOPKJXYDGVVPIM-GOSISDBHSA-N 1 0 364.493 3.899 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@H](O)c3ccccc3C2)cc1OCCCC#N ZINC000363885963 942966378 /nfs/dbraw/zinc/96/63/78/942966378.db2.gz HCWSNDFYLPQOBK-FQEVSTJZSA-N 1 0 366.461 3.817 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1c(F)cccc1C#N)c1ccsc1 ZINC000505534851 942985957 /nfs/dbraw/zinc/98/59/57/942985957.db2.gz ZFWFNJAGGGLIRX-SFHVURJKSA-N 1 0 359.470 3.501 20 30 FHEDRO N#Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000425203354 942987007 /nfs/dbraw/zinc/98/70/07/942987007.db2.gz FFTZSGRJBLXKNA-UHFFFAOYSA-N 1 0 354.385 3.682 20 30 FHEDRO CN(CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000505539786 942989524 /nfs/dbraw/zinc/98/95/24/942989524.db2.gz JIHYFRLDRJWVSZ-MRXNPFEDSA-N 1 0 362.260 3.806 20 30 FHEDRO C[C@@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)[NH+]1CCCCCC1 ZINC000505541097 942990655 /nfs/dbraw/zinc/99/06/55/942990655.db2.gz VGNMLLQGXZQBAO-WFASDCNBSA-N 1 0 354.281 3.939 20 30 FHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(C#N)s1)c1ccccc1 ZINC000422160522 943028147 /nfs/dbraw/zinc/02/81/47/943028147.db2.gz JHNYFBXDIHYMSD-CQSZACIVSA-N 1 0 356.495 3.548 20 30 FHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(C)nc(C)c1 ZINC000422209001 943048903 /nfs/dbraw/zinc/04/89/03/943048903.db2.gz NMQPFZGBVCGDKU-UHFFFAOYSA-N 1 0 354.410 3.504 20 30 FHEDRO CC1CC[NH+](CCCCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000416700370 943049947 /nfs/dbraw/zinc/04/99/47/943049947.db2.gz ZASOIYZQLNESEU-NRFANRHFSA-N 1 0 368.525 3.747 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000503210673 943052580 /nfs/dbraw/zinc/05/25/80/943052580.db2.gz YVLGNNSIIQQMJV-LSDHHAIUSA-N 1 0 359.433 3.626 20 30 FHEDRO Cc1oc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C#N)c1C ZINC000434927558 943058480 /nfs/dbraw/zinc/05/84/80/943058480.db2.gz SMFAXLJMHBAEGX-UHFFFAOYSA-N 1 0 364.449 3.737 20 30 FHEDRO N#Cc1c2c(cnc1N1CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)CCC2 ZINC000425249013 943059165 /nfs/dbraw/zinc/05/91/65/943059165.db2.gz BLEFKNOLIJAGQE-QHCPKHFHSA-N 1 0 358.489 3.544 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000272054551 943088628 /nfs/dbraw/zinc/08/86/28/943088628.db2.gz YMFMVPONRUREHA-XMSQKQJNSA-N 1 0 373.500 3.882 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCC3CCCC3)CC2)cc1 ZINC000503263627 943092525 /nfs/dbraw/zinc/09/25/25/943092525.db2.gz VUPGYRNEGVOSNY-UHFFFAOYSA-N 1 0 368.525 3.746 20 30 FHEDRO N#Cc1cccc(C2(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CC2)c1 ZINC000435017716 943100066 /nfs/dbraw/zinc/10/00/66/943100066.db2.gz XDSCLLMFYUSSFV-UHFFFAOYSA-N 1 0 359.473 3.867 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2)c1 ZINC000435037261 943103947 /nfs/dbraw/zinc/10/39/47/943103947.db2.gz XNSCZRRYYKJPCL-SFHVURJKSA-N 1 0 365.502 3.605 20 30 FHEDRO C=CCOc1ccc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)cc1Cl ZINC000435030057 943113508 /nfs/dbraw/zinc/11/35/08/943113508.db2.gz PGBGPLSSOVGBNN-UHFFFAOYSA-N 1 0 372.900 3.796 20 30 FHEDRO C=C(C)COc1cc(C[NH+]2CCC(n3ccc(C)n3)CC2)ccc1OC ZINC000435046358 943117723 /nfs/dbraw/zinc/11/77/23/943117723.db2.gz QQGCVNGAXKPAME-UHFFFAOYSA-N 1 0 355.482 3.992 20 30 FHEDRO N#Cc1ccsc1N1CC[C@@H](N2CC[C@H](c3ccc(Cl)cc3)C2)C1=O ZINC000435048933 943120163 /nfs/dbraw/zinc/12/01/63/943120163.db2.gz KXOMXFFDXIRKJE-DOTOQJQBSA-N 1 0 371.893 3.868 20 30 FHEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435060424 943132141 /nfs/dbraw/zinc/13/21/41/943132141.db2.gz ZEZPZIVHHYIRDL-KVSKMBFKSA-N 1 0 365.502 3.912 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000272388022 943147967 /nfs/dbraw/zinc/14/79/67/943147967.db2.gz HVVVESSYTZGVRI-GOSISDBHSA-N 1 0 368.525 3.754 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)c2cccs2)CC1 ZINC000272416198 943152238 /nfs/dbraw/zinc/15/22/38/943152238.db2.gz MLXCPKGERZSDJZ-KRWDZBQOSA-N 1 0 374.554 3.856 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000503413029 943170667 /nfs/dbraw/zinc/17/06/67/943170667.db2.gz RALGKNKCMSENLX-YLJYHZDGSA-N 1 0 354.498 3.617 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000272578343 943179948 /nfs/dbraw/zinc/17/99/48/943179948.db2.gz TUSGYFLIFZLRQL-UHFFFAOYSA-N 1 0 358.486 3.565 20 30 FHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C)(C#N)CC3)sc2C1 ZINC000272585478 943181641 /nfs/dbraw/zinc/18/16/41/943181641.db2.gz ORHCAKAFBFORNI-CQSZACIVSA-N 1 0 370.522 3.699 20 30 FHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000435153503 943194258 /nfs/dbraw/zinc/19/42/58/943194258.db2.gz KFGFNWHJVGYYQU-AWEZNQCLSA-N 1 0 354.429 3.948 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000435160476 943215860 /nfs/dbraw/zinc/21/58/60/943215860.db2.gz HYIZGNGUKNAIMW-KSSFIOAISA-N 1 0 352.413 3.654 20 30 FHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000272896433 943240454 /nfs/dbraw/zinc/24/04/54/943240454.db2.gz FPPPKXJOOSKXCZ-OAHLLOKOSA-N 1 0 364.371 3.641 20 30 FHEDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000366624821 943245341 /nfs/dbraw/zinc/24/53/41/943245341.db2.gz ABCGEIDOKIHDTO-YLJYHZDGSA-N 1 0 354.498 3.690 20 30 FHEDRO C[C@H]1CCCC[C@H]1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001167740386 943262204 /nfs/dbraw/zinc/26/22/04/943262204.db2.gz KZEYZPUFUSLSKS-HOTGVXAUSA-N 1 0 354.454 3.755 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCc4cccnc4CC3)C2)c(F)c1 ZINC000514787635 943290447 /nfs/dbraw/zinc/29/04/47/943290447.db2.gz SJSKEWYPVUWYQB-OALUTQOASA-N 1 0 364.468 3.598 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000505660694 943323219 /nfs/dbraw/zinc/32/32/19/943323219.db2.gz MNCVKZRMSWAPTQ-HZPDHXFCSA-N 1 0 358.486 3.587 20 30 FHEDRO C[NH+](C)CCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CC1 ZINC000505669609 943332085 /nfs/dbraw/zinc/33/20/85/943332085.db2.gz PGGYALYCMSZACK-UHFFFAOYSA-N 1 0 365.502 3.876 20 30 FHEDRO C[C@@H](C[N@H+](C)[C@H](C)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000425368973 943384312 /nfs/dbraw/zinc/38/43/12/943384312.db2.gz YSQYABIYVNIHHJ-JKSUJKDBSA-N 1 0 356.491 3.758 20 30 FHEDRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001167742051 943393041 /nfs/dbraw/zinc/39/30/41/943393041.db2.gz WKOUUBPEKBXBMP-UHFFFAOYSA-N 1 0 353.853 3.736 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C#N)s2)[C@H]1c1ccccc1 ZINC000514929349 943400525 /nfs/dbraw/zinc/40/05/25/943400525.db2.gz RUTJCSXVOIEQLM-VQIMIIECSA-N 1 0 368.506 3.502 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCCF ZINC000503921466 943409248 /nfs/dbraw/zinc/40/92/48/943409248.db2.gz VQWNUNLCRUXJQC-RKDXNWHRSA-N 1 0 374.300 3.849 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCCF ZINC000503921460 943409427 /nfs/dbraw/zinc/40/94/27/943409427.db2.gz VQWNUNLCRUXJQC-IUCAKERBSA-N 1 0 374.300 3.849 20 30 FHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431927597 943410437 /nfs/dbraw/zinc/41/04/37/943410437.db2.gz ZCAPMTJNTJWTQQ-OALUTQOASA-N 1 0 356.514 3.841 20 30 FHEDRO C[C@@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000503924382 943411088 /nfs/dbraw/zinc/41/10/88/943411088.db2.gz IFOCCIBMEMKQKK-IIBYNOLFSA-N 1 0 361.420 3.951 20 30 FHEDRO C=CCOc1cccc(CN(Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435437109 943416145 /nfs/dbraw/zinc/41/61/45/943416145.db2.gz JCWFLYJQTMLOKE-SFHVURJKSA-N 1 0 357.523 3.628 20 30 FHEDRO C=CC[C@@H](C)C(=O)N1CCC2(CCC[N@H+](Cc3scnc3C)C2)CC1 ZINC001269960094 943421812 /nfs/dbraw/zinc/42/18/12/943421812.db2.gz LYEHJFBPQLVSLD-MRXNPFEDSA-N 1 0 361.555 3.868 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)c2ccccc2)CC1 ZINC000503987834 943443589 /nfs/dbraw/zinc/44/35/89/943443589.db2.gz PZIAXTKPKXUREU-FQEVSTJZSA-N 1 0 368.525 3.795 20 30 FHEDRO CC(C)[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000504012365 943466620 /nfs/dbraw/zinc/46/66/20/943466620.db2.gz CRPMLINPKKDULN-OAQYLSRUSA-N 1 0 351.494 3.684 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCCC2(C)C)c1C#N ZINC000584754941 943535956 /nfs/dbraw/zinc/53/59/56/943535956.db2.gz WKQNBKFMJBPVLF-UHFFFAOYSA-N 1 0 368.481 3.821 20 30 FHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)C1 ZINC000582106037 943552811 /nfs/dbraw/zinc/55/28/11/943552811.db2.gz VDTDONRNKWYJMQ-TXXUCJGISA-N 1 0 366.436 3.859 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000425404878 943562808 /nfs/dbraw/zinc/56/28/08/943562808.db2.gz XAGZPHWSHQTJNP-INIZCTEOSA-N 1 0 350.466 3.522 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000509976868 943568770 /nfs/dbraw/zinc/56/87/70/943568770.db2.gz JCUDTVJKRINORJ-QFBILLFUSA-N 1 0 353.491 3.741 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000435727895 943571338 /nfs/dbraw/zinc/57/13/38/943571338.db2.gz GYZIRVAHCPSPCZ-VBKZILBWSA-N 1 0 372.421 3.934 20 30 FHEDRO CC(C)[C@H]1[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CCOCC2 ZINC000584769022 943571610 /nfs/dbraw/zinc/57/16/10/943571610.db2.gz YFHZSZKCJFFXDW-OAQYLSRUSA-N 1 0 364.493 3.596 20 30 FHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417397259 943572307 /nfs/dbraw/zinc/57/23/07/943572307.db2.gz XXNUUEGIQSAXOS-QVKFZJNVSA-N 1 0 363.461 3.951 20 30 FHEDRO C=CCCc1ccccc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000504285054 943581653 /nfs/dbraw/zinc/58/16/53/943581653.db2.gz XQSRUIJYCMKUIU-UHFFFAOYSA-N 1 0 363.505 3.805 20 30 FHEDRO C=CCCc1ccccc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000504284793 943581749 /nfs/dbraw/zinc/58/17/49/943581749.db2.gz UKRDDYBLBGOYIE-UHFFFAOYSA-N 1 0 363.505 3.805 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000435738399 943590405 /nfs/dbraw/zinc/59/04/05/943590405.db2.gz AFQUVFMVLCYLFM-SIKLNZKXSA-N 1 0 368.477 3.740 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435742693 943592784 /nfs/dbraw/zinc/59/27/84/943592784.db2.gz WRNNEIOHKBEUFV-WMLDXEAASA-N 1 0 359.451 3.789 20 30 FHEDRO C[S@](=O)C1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCC1 ZINC000435745413 943594802 /nfs/dbraw/zinc/59/48/02/943594802.db2.gz MNVBEMLGBUGDEO-SANMLTNESA-N 1 0 368.502 3.528 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000504433011 943630850 /nfs/dbraw/zinc/63/08/50/943630850.db2.gz DFPLPHWIGYGCQG-IBGZPJMESA-N 1 0 370.541 3.916 20 30 FHEDRO COc1ccc(CC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000504471777 943635161 /nfs/dbraw/zinc/63/51/61/943635161.db2.gz USNAQIOZKICREL-UHFFFAOYSA-N 1 0 350.462 3.900 20 30 FHEDRO COc1ccc(CC2CC[NH+](CCOc3cccc(C#N)c3)CC2)cc1 ZINC000504538484 943651596 /nfs/dbraw/zinc/65/15/96/943651596.db2.gz KNZGYTLQXNTZCA-UHFFFAOYSA-N 1 0 350.462 3.900 20 30 FHEDRO N#Cc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000504541807 943666003 /nfs/dbraw/zinc/66/60/03/943666003.db2.gz KNGNYDQGSSZOPQ-GOSISDBHSA-N 1 0 355.388 3.654 20 30 FHEDRO Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000364142611 943676780 /nfs/dbraw/zinc/67/67/80/943676780.db2.gz FXCQMRNAOYAQSN-OAHLLOKOSA-N 1 0 364.424 3.901 20 30 FHEDRO CCOc1ccc(Oc2ccccc2NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424085607 943723022 /nfs/dbraw/zinc/72/30/22/943723022.db2.gz ZGSKUHNLMZMEGE-QGZVFWFLSA-N 1 0 353.422 3.837 20 30 FHEDRO COc1ccccc1Oc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1F ZINC000424108561 943734386 /nfs/dbraw/zinc/73/43/86/943734386.db2.gz XJIPCKZNGVMSMS-HNNXBMFYSA-N 1 0 357.385 3.586 20 30 FHEDRO COc1ccc(Sc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424110161 943735579 /nfs/dbraw/zinc/73/55/79/943735579.db2.gz CBOHHCDGQNFWBF-GOSISDBHSA-N 1 0 355.463 3.806 20 30 FHEDRO Cc1cccc(COc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)c(C)c2)c1 ZINC000424111660 943737083 /nfs/dbraw/zinc/73/70/83/943737083.db2.gz GTTBWOCAWSTKBK-LJQANCHMSA-N 1 0 351.450 3.842 20 30 FHEDRO Cc1sc(NC(=O)[C@H]([NH3+])CCCC#N)nc1-c1ccc2c(c1)CCC2 ZINC000424117832 943740779 /nfs/dbraw/zinc/74/07/79/943740779.db2.gz ZDJCIAYDEUTUID-MRXNPFEDSA-N 1 0 354.479 3.567 20 30 FHEDRO Cc1cccc(COc2ccc([C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)cc2)c1 ZINC000424117945 943740904 /nfs/dbraw/zinc/74/09/04/943740904.db2.gz ZJWNLJXNGOTFQR-UWJYYQICSA-N 1 0 365.477 3.772 20 30 FHEDRO Cc1cccc(C)c1OC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424125098 943744283 /nfs/dbraw/zinc/74/42/83/943744283.db2.gz QFWJHLMKKCNXQA-VQTJNVASSA-N 1 0 365.477 3.561 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000424126518 943744783 /nfs/dbraw/zinc/74/47/83/943744783.db2.gz PEBRGWJXAUCHMW-ROUUACIJSA-N 1 0 359.832 3.706 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000424126521 943744940 /nfs/dbraw/zinc/74/49/40/943744940.db2.gz PEBRGWJXAUCHMW-ZWKOTPCHSA-N 1 0 359.832 3.706 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1COc1ccccc1Cl ZINC000424127940 943746982 /nfs/dbraw/zinc/74/69/82/943746982.db2.gz QGGXUDQQRQRERL-GOSISDBHSA-N 1 0 371.868 3.556 20 30 FHEDRO COc1cccc([C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c2ccccc2Cl)c1 ZINC000424131384 943757834 /nfs/dbraw/zinc/75/78/34/943757834.db2.gz UYIHLCKMHBAGIH-RTBURBONSA-N 1 0 371.868 3.575 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000424176408 943761303 /nfs/dbraw/zinc/76/13/03/943761303.db2.gz XNPCVRDAWNWLNM-JXFKEZNVSA-N 1 0 352.482 3.741 20 30 FHEDRO CC[C@@H](C)c1nnc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000515343198 943808251 /nfs/dbraw/zinc/80/82/51/943808251.db2.gz DWCVXGHLMOAIND-CABCVRRESA-N 1 0 352.486 3.509 20 30 FHEDRO CC[C@H](C)c1nnc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000515343199 943808506 /nfs/dbraw/zinc/80/85/06/943808506.db2.gz DWCVXGHLMOAIND-GJZGRUSLSA-N 1 0 352.486 3.509 20 30 FHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC2([S@](C)=O)CCC2)cc1 ZINC000435879591 943814219 /nfs/dbraw/zinc/81/42/19/943814219.db2.gz DKHLNLHEQGYVGX-SANMLTNESA-N 1 0 369.534 3.854 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000435883039 943815847 /nfs/dbraw/zinc/81/58/47/943815847.db2.gz IIBSSBQSHDPNBO-UONOGXRCSA-N 1 0 351.288 3.689 20 30 FHEDRO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000435881699 943815863 /nfs/dbraw/zinc/81/58/63/943815863.db2.gz BNNYSKWFCMFJKN-QZTJIDSGSA-N 1 0 366.509 3.795 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000516913293 943822833 /nfs/dbraw/zinc/82/28/33/943822833.db2.gz FCPLXOZMOPBSEA-XUVXKRRUSA-N 1 0 367.880 3.734 20 30 FHEDRO C=CCn1cc(C[NH2+][C@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)nn1 ZINC000424293386 943823361 /nfs/dbraw/zinc/82/33/61/943823361.db2.gz IOVUIWFPGAIELW-VXGBXAGGSA-N 1 0 355.269 3.717 20 30 FHEDRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414906721 943864747 /nfs/dbraw/zinc/86/47/47/943864747.db2.gz PNXWQHDSKLZRRN-GUYCJALGSA-N 1 0 356.857 3.854 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccccc2OCc2ccncc2)ccc1C#N ZINC000515479524 943919842 /nfs/dbraw/zinc/91/98/42/943919842.db2.gz ROKXERDEQKWUGF-UHFFFAOYSA-N 1 0 359.429 3.831 20 30 FHEDRO CCN(C(=O)c1sccc1C#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500007015 943942474 /nfs/dbraw/zinc/94/24/74/943942474.db2.gz OTBNUJSQBDZSRB-QAPCUYQASA-N 1 0 353.491 3.917 20 30 FHEDRO C=CCN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccc(OC)cc1 ZINC000515511736 943944670 /nfs/dbraw/zinc/94/46/70/943944670.db2.gz PDLZHMGWBIAQPB-TZIWHRDSSA-N 1 0 356.510 3.864 20 30 FHEDRO Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000515513598 943946721 /nfs/dbraw/zinc/94/67/21/943946721.db2.gz KMJQXYMQNZQYLF-UHFFFAOYSA-N 1 0 372.472 3.611 20 30 FHEDRO CCCCCCCCCC(=O)N1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001270238170 943948457 /nfs/dbraw/zinc/94/84/57/943948457.db2.gz OGPONHAKGCKKHP-UHFFFAOYSA-N 1 0 351.579 3.613 20 30 FHEDRO N#CCC[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000417922113 943962127 /nfs/dbraw/zinc/96/21/27/943962127.db2.gz SJIRHTDTBCMUQC-HXUWFJFHSA-N 1 0 350.466 3.592 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417933758 943973619 /nfs/dbraw/zinc/97/36/19/943973619.db2.gz OTVHWOITGFXLAY-XJKSGUPXSA-N 1 0 355.404 3.703 20 30 FHEDRO C=CCC[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000417945492 943989430 /nfs/dbraw/zinc/98/94/30/943989430.db2.gz XTHXHXMJOYCRJA-HOTGVXAUSA-N 1 0 355.404 3.749 20 30 FHEDRO C=CCCc1ccccc1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000505037305 943994339 /nfs/dbraw/zinc/99/43/39/943994339.db2.gz ADEKLAPZMWGRCF-UHFFFAOYSA-N 1 0 359.514 3.816 20 30 FHEDRO CCCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425853274 944011904 /nfs/dbraw/zinc/01/19/04/944011904.db2.gz VXXCKCVMJTVFFM-PWRODBHTSA-N 1 0 368.525 3.765 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000436100173 944014978 /nfs/dbraw/zinc/01/49/78/944014978.db2.gz JFZARARQMWHAMX-XQQFMLRXSA-N 1 0 369.387 3.699 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000425466815 944021845 /nfs/dbraw/zinc/02/18/45/944021845.db2.gz BWUSTPRHXPUQNK-INIZCTEOSA-N 1 0 368.456 3.532 20 30 FHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425468452 944035532 /nfs/dbraw/zinc/03/55/32/944035532.db2.gz DRJNQIXQFVSIPX-XDNAFOTISA-N 1 0 356.514 3.627 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)c1 ZINC000517136149 944037722 /nfs/dbraw/zinc/03/77/22/944037722.db2.gz VBPLGEKNQYCHNS-IBGZPJMESA-N 1 0 371.525 3.566 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CCOCC1 ZINC000425469690 944038284 /nfs/dbraw/zinc/03/82/84/944038284.db2.gz FXSJRVDBDCSSGA-UHFFFAOYSA-N 1 0 374.550 3.855 20 30 FHEDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001618 944051798 /nfs/dbraw/zinc/05/17/98/944051798.db2.gz WWZFHBHYDGIMCJ-ZOCZFRKYSA-N 1 0 362.477 3.726 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000418023519 944069202 /nfs/dbraw/zinc/06/92/02/944069202.db2.gz CCDPXPIUJBJLIC-VQIMIIECSA-N 1 0 363.452 3.613 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000418031868 944078844 /nfs/dbraw/zinc/07/88/44/944078844.db2.gz OYENBZQHTBGRLD-DBVUQKKJSA-N 1 0 371.431 3.718 20 30 FHEDRO COCC[N@H+](C)CCCC1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000162571180 944091903 /nfs/dbraw/zinc/09/19/03/944091903.db2.gz VJTYZNZIVMQVML-UHFFFAOYSA-N 1 0 366.509 3.681 20 30 FHEDRO CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000517199547 944096973 /nfs/dbraw/zinc/09/69/73/944096973.db2.gz ZEBACPSZQRVURP-VQIMIIECSA-N 1 0 363.452 3.588 20 30 FHEDRO C=CCC1(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000424763361 944104173 /nfs/dbraw/zinc/10/41/73/944104173.db2.gz LWXCMLCKHUSGKY-UHFFFAOYSA-N 1 0 371.525 3.519 20 30 FHEDRO N#CC[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000437851770 944166451 /nfs/dbraw/zinc/16/64/51/944166451.db2.gz PIJAKJHKVXJLSF-PZJWPPBQSA-N 1 0 353.510 3.987 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000436295588 944180336 /nfs/dbraw/zinc/18/03/36/944180336.db2.gz RTRATBRETAYIOM-DOXZYTNZSA-N 1 0 350.890 3.936 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000436295590 944180475 /nfs/dbraw/zinc/18/04/75/944180475.db2.gz RTRATBRETAYIOM-VCBZYWHSSA-N 1 0 350.890 3.936 20 30 FHEDRO COc1cccc(C2(F)CC[NH+](CCOc3ccccc3C#N)CC2)c1 ZINC000500162503 944189595 /nfs/dbraw/zinc/18/95/95/944189595.db2.gz QNRPWOXPHPTVEE-UHFFFAOYSA-N 1 0 354.425 3.906 20 30 FHEDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H]1c1ccc(F)cc1F ZINC000425513092 944191124 /nfs/dbraw/zinc/19/11/24/944191124.db2.gz QZEAIYYROMDRNB-FASAQXTFSA-N 1 0 370.399 3.786 20 30 FHEDRO C[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1C(=O)OC(C)(C)C ZINC000425515394 944197673 /nfs/dbraw/zinc/19/76/73/944197673.db2.gz SNBQXQZWJSBJEC-IRXDYDNUSA-N 1 0 350.503 3.529 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(COc3ccccc3)CC2)CC1 ZINC000517318065 944206851 /nfs/dbraw/zinc/20/68/51/944206851.db2.gz FAZJLFXMTGHYKC-UHFFFAOYSA-N 1 0 371.525 3.528 20 30 FHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000500174757 944213219 /nfs/dbraw/zinc/21/32/19/944213219.db2.gz WBEXIISHAYSQAQ-GHTZIAJQSA-N 1 0 353.510 3.771 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)CCCC(=O)c2c(C)cc(C)cc2C)CC1 ZINC000517309478 944214652 /nfs/dbraw/zinc/21/46/52/944214652.db2.gz JJKVTCUHDCPYFB-UHFFFAOYSA-N 1 0 356.510 3.731 20 30 FHEDRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000500188418 944231497 /nfs/dbraw/zinc/23/14/97/944231497.db2.gz SEJUBNLLNFALLK-UHFFFAOYSA-N 1 0 359.489 3.765 20 30 FHEDRO C=CCOc1ccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000418169558 944232682 /nfs/dbraw/zinc/23/26/82/944232682.db2.gz QHBQMDGEGWQVEX-HXUWFJFHSA-N 1 0 353.466 3.531 20 30 FHEDRO C=CCC[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000439008067 944248324 /nfs/dbraw/zinc/24/83/24/944248324.db2.gz ZXCWFTCVKVXLEL-QGZVFWFLSA-N 1 0 365.315 3.903 20 30 FHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000517371367 944251726 /nfs/dbraw/zinc/25/17/26/944251726.db2.gz UGTFNQZSRLADRS-MRXNPFEDSA-N 1 0 367.424 3.704 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-c3nc(C)cs3)c2)CC1 ZINC000517376329 944254903 /nfs/dbraw/zinc/25/49/03/944254903.db2.gz BMFVHPWDKQZUDL-UHFFFAOYSA-N 1 0 356.495 3.890 20 30 FHEDRO N#CCCC[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000418210910 944269820 /nfs/dbraw/zinc/26/98/20/944269820.db2.gz HQLOWDRKWANQGC-NRFANRHFSA-N 1 0 364.493 3.982 20 30 FHEDRO CC[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[NH+](C)C ZINC000162610066 944293351 /nfs/dbraw/zinc/29/33/51/944293351.db2.gz PCLILSDFBLFPIT-GOSISDBHSA-N 1 0 355.413 3.555 20 30 FHEDRO CN(CC#Cc1ccc(F)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000438054345 944300776 /nfs/dbraw/zinc/30/07/76/944300776.db2.gz CHGSYKXONCDKEH-IBGZPJMESA-N 1 0 356.828 3.568 20 30 FHEDRO C=CCN(CC(F)(F)F)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518399077 944338713 /nfs/dbraw/zinc/33/87/13/944338713.db2.gz QUHXCPHZOUGKEV-MRXNPFEDSA-N 1 0 368.443 3.907 20 30 FHEDRO CC#CCCCC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)cc1OCC ZINC000518433812 944378307 /nfs/dbraw/zinc/37/83/07/944378307.db2.gz XLJXXKOXRIPRMQ-UHFFFAOYSA-N 1 0 371.525 3.749 20 30 FHEDRO C=CCc1cc(C[NH2+]CCCN2CCc3ccccc32)cc(OC)c1O ZINC000500277401 944389247 /nfs/dbraw/zinc/38/92/47/944389247.db2.gz HMVUFNWDABLBFU-UHFFFAOYSA-N 1 0 352.478 3.672 20 30 FHEDRO CCC(CC)(CNC(=O)c1ccc(C#N)c(C)n1)[NH2+][C@H](C)c1ccccc1 ZINC000518455773 944408493 /nfs/dbraw/zinc/40/84/93/944408493.db2.gz NOKYFMWPGQERKA-QGZVFWFLSA-N 1 0 364.493 3.901 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC000518510570 944455927 /nfs/dbraw/zinc/45/59/27/944455927.db2.gz WWRBGXQWJUVMOI-UHFFFAOYSA-N 1 0 369.431 3.887 20 30 FHEDRO Cc1ccccc1NC(=S)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000017517654 944479587 /nfs/dbraw/zinc/47/95/87/944479587.db2.gz MWJURSDPCJFWRH-UHFFFAOYSA-N 1 0 364.518 3.771 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000171740035 944481682 /nfs/dbraw/zinc/48/16/82/944481682.db2.gz QIWMZRJRULXOJJ-UHFFFAOYSA-N 1 0 352.276 3.529 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cnc2ccccc2c1)C(C)C ZINC000439274690 944495308 /nfs/dbraw/zinc/49/53/08/944495308.db2.gz OBRZUTQZXYEGRC-NRFANRHFSA-N 1 0 351.494 3.592 20 30 FHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438317824 944504671 /nfs/dbraw/zinc/50/46/71/944504671.db2.gz BYGAJBKIPBFTFR-IBGZPJMESA-N 1 0 359.514 3.817 20 30 FHEDRO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCCCC1 ZINC000426670093 944505306 /nfs/dbraw/zinc/50/53/06/944505306.db2.gz CGAGIIJUTKZJNP-WOJBJXKFSA-N 1 0 353.510 3.797 20 30 FHEDRO CC(C)C[C@@H](CNC(=O)Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000517714868 944530400 /nfs/dbraw/zinc/53/04/00/944530400.db2.gz PQUMHMPIMJLHPG-AVRDEDQJSA-N 1 0 363.505 3.982 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(c2cccc(OC)c2)CCCC1 ZINC000518667053 944588931 /nfs/dbraw/zinc/58/89/31/944588931.db2.gz PHZDHYJBPXHKDC-SFHVURJKSA-N 1 0 358.526 3.910 20 30 FHEDRO C=CCOc1cccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000438463500 944644318 /nfs/dbraw/zinc/64/43/18/944644318.db2.gz UDAZDDWBWMNFIJ-UHFFFAOYSA-N 1 0 363.461 3.998 20 30 FHEDRO C=CCCOCCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000535252059 944665220 /nfs/dbraw/zinc/66/52/20/944665220.db2.gz MZHXTLULZPIRJR-OALUTQOASA-N 1 0 373.541 3.556 20 30 FHEDRO C=CCc1cc(OCC)cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000162735466 944688799 /nfs/dbraw/zinc/68/87/99/944688799.db2.gz JXVFNOIQHILLOX-LJQANCHMSA-N 1 0 355.482 3.762 20 30 FHEDRO COc1ccc(CN(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000015295606 944723875 /nfs/dbraw/zinc/72/38/75/944723875.db2.gz VHMMDXWFYAMKMV-UHFFFAOYSA-N 1 0 365.477 3.691 20 30 FHEDRO CN(Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426729356 944738983 /nfs/dbraw/zinc/73/89/83/944738983.db2.gz CAEOPRNLERIUBS-UHFFFAOYSA-N 1 0 367.497 3.695 20 30 FHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000458809458 944755039 /nfs/dbraw/zinc/75/50/39/944755039.db2.gz AIXKHWWFUWETFX-ZSXPUABSSA-N 1 0 368.525 3.793 20 30 FHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000796650009 944763729 /nfs/dbraw/zinc/76/37/29/944763729.db2.gz JNEXFWIWFYVUFK-GPMSIDNRSA-N 1 0 373.497 3.713 20 30 FHEDRO COc1ccccc1N1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000566777294 944804868 /nfs/dbraw/zinc/80/48/68/944804868.db2.gz JSEJICVLEVUEIL-FQEVSTJZSA-N 1 0 363.461 3.583 20 30 FHEDRO C[C@@H]([N@@H+](Cc1ccccc1)C[C@H]1CNc2c(C#N)cnn2C1)C(C)(C)C ZINC000517936931 944850449 /nfs/dbraw/zinc/85/04/49/944850449.db2.gz CKNHXZFRIUMAEW-SJLPKXTDSA-N 1 0 351.498 3.733 20 30 FHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+]C2(C3CC3)CC2)c1C#N ZINC000541595563 944890226 /nfs/dbraw/zinc/89/02/26/944890226.db2.gz UJIFOCNHBGDORL-UHFFFAOYSA-N 1 0 366.440 3.576 20 30 FHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426463635 944890550 /nfs/dbraw/zinc/89/05/50/944890550.db2.gz WMXUNMDOLRAVMS-GOSISDBHSA-N 1 0 350.428 3.721 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000517971011 944894406 /nfs/dbraw/zinc/89/44/06/944894406.db2.gz CUHMFWCFURPDRH-CSODHUTKSA-N 1 0 362.477 3.754 20 30 FHEDRO CC[C@](C)(C#N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000511699975 944942993 /nfs/dbraw/zinc/94/29/93/944942993.db2.gz ITMHOYQGKYTMFG-JOCHJYFZSA-N 1 0 355.526 3.777 20 30 FHEDRO CC(C)COC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438723454 944970136 /nfs/dbraw/zinc/97/01/36/944970136.db2.gz LHPWQYIEUSIYJK-QFIPXVFZSA-N 1 0 370.468 3.733 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426133216 944979234 /nfs/dbraw/zinc/97/92/34/944979234.db2.gz HXAGLJQPXPRGAT-UHFFFAOYSA-N 1 0 374.847 3.946 20 30 FHEDRO CC(C)C[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)[NH2+][C@H](C)c1ccccc1 ZINC000425708327 944991065 /nfs/dbraw/zinc/99/10/65/944991065.db2.gz ZMTZQBLCXBOWGX-PIKOESSRSA-N 1 0 356.514 3.743 20 30 FHEDRO CC(C)(CCC#N)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000507167152 944999476 /nfs/dbraw/zinc/99/94/76/944999476.db2.gz IVGGMDBCTJWDIE-UHFFFAOYSA-N 1 0 364.331 3.897 20 30 FHEDRO C=CCNC(=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000516553481 945000442 /nfs/dbraw/zinc/00/04/42/945000442.db2.gz PFZZREMUYYEJRZ-UHFFFAOYSA-N 1 0 359.470 3.567 20 30 FHEDRO CC(C)(C[NH3+])NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414897787 945005023 /nfs/dbraw/zinc/00/50/23/945005023.db2.gz CSOPBSURVNBHPW-MRXNPFEDSA-N 1 0 356.857 3.854 20 30 FHEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507184377 945014018 /nfs/dbraw/zinc/01/40/18/945014018.db2.gz RZPGYIKUTIUNBX-UHFFFAOYSA-N 1 0 355.482 3.631 20 30 FHEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1cccc(C#N)c1 ZINC000507183785 945014141 /nfs/dbraw/zinc/01/41/41/945014141.db2.gz ZNNHTWSIQRKOLN-UHFFFAOYSA-N 1 0 374.444 3.716 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C12CCCC2 ZINC000437099833 945019523 /nfs/dbraw/zinc/01/95/23/945019523.db2.gz SAHZWOMOMVDGRL-NTFDOXNWSA-N 1 0 369.509 3.971 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC000507174218 945023026 /nfs/dbraw/zinc/02/30/26/945023026.db2.gz CBWIJYMQFQZHEA-MGPUTAFESA-N 1 0 361.917 3.915 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2Cl)[NH+](C)C)cc1 ZINC000426150190 945026540 /nfs/dbraw/zinc/02/65/40/945026540.db2.gz DMZKURULYVTPKS-GOSISDBHSA-N 1 0 356.857 3.945 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000432084763 945029313 /nfs/dbraw/zinc/02/93/13/945029313.db2.gz JNXAUGDINXKTFQ-QGZVFWFLSA-N 1 0 361.917 3.879 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000432084762 945029621 /nfs/dbraw/zinc/02/96/21/945029621.db2.gz JNXAUGDINXKTFQ-KRWDZBQOSA-N 1 0 361.917 3.879 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000426157290 945032813 /nfs/dbraw/zinc/03/28/13/945032813.db2.gz SBEADYLEAYPIGY-INIZCTEOSA-N 1 0 356.857 3.506 20 30 FHEDRO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC000651541627 945037252 /nfs/dbraw/zinc/03/72/52/945037252.db2.gz UMWJPCPIYWHXIZ-UHFFFAOYSA-N 1 0 367.541 3.560 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000426155576 945041136 /nfs/dbraw/zinc/04/11/36/945041136.db2.gz YSHQSRJDGJDJPH-KRWDZBQOSA-N 1 0 368.868 3.998 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000426167270 945050655 /nfs/dbraw/zinc/05/06/55/945050655.db2.gz SGPLRHWGPAANMD-WMLDXEAASA-N 1 0 368.868 3.996 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437127333 945056792 /nfs/dbraw/zinc/05/67/92/945056792.db2.gz XRXDXJUQJVFTCW-RVKKMQEKSA-N 1 0 363.452 3.997 20 30 FHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000507612457 945374912 /nfs/dbraw/zinc/37/49/12/945374912.db2.gz CJQIRBOHGJZPRI-PXNSSMCTSA-N 1 0 350.462 3.817 20 30 FHEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330162617 945382325 /nfs/dbraw/zinc/38/23/25/945382325.db2.gz SJGJUZWSKWEZRX-AEFFLSMTSA-N 1 0 362.470 3.619 20 30 FHEDRO O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)[C@@H]1CCCN1C1CC1 ZINC000330205997 945401739 /nfs/dbraw/zinc/40/17/39/945401739.db2.gz CWEGSBYSPKBEBJ-HNNXBMFYSA-N 1 0 371.462 3.796 20 30 FHEDRO CN(C(=O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCCC1 ZINC000507649836 945402977 /nfs/dbraw/zinc/40/29/77/945402977.db2.gz NERKPNPBSRZLDV-UHFFFAOYSA-N 1 0 353.510 3.771 20 30 FHEDRO C[C@@H]1CN(C(C)(C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000507652551 945405436 /nfs/dbraw/zinc/40/54/36/945405436.db2.gz ISLFXJCRNARTSB-UJKXBYJESA-N 1 0 369.553 3.868 20 30 FHEDRO CC(C)CN(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000330226686 945411908 /nfs/dbraw/zinc/41/19/08/945411908.db2.gz OXICXNYPMMCNLT-UXHICEINSA-N 1 0 365.562 3.569 20 30 FHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000330247440 945422993 /nfs/dbraw/zinc/42/29/93/945422993.db2.gz FPPXMCOAQIDCON-MSOLQXFVSA-N 1 0 361.534 3.609 20 30 FHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCc3ccccc3C1)CCC2 ZINC000106888597 945426193 /nfs/dbraw/zinc/42/61/93/945426193.db2.gz JQCBDMWFQLVAGE-UHFFFAOYSA-N 1 0 365.502 3.885 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000181728712 945436789 /nfs/dbraw/zinc/43/67/89/945436789.db2.gz ORLZURGDUZQSFH-FQEVSTJZSA-N 1 0 361.489 3.679 20 30 FHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000330272297 945437988 /nfs/dbraw/zinc/43/79/88/945437988.db2.gz XJZULYIBWYMKMW-MSOLQXFVSA-N 1 0 365.562 3.882 20 30 FHEDRO CCNC(=O)N1CCc2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc21 ZINC000330287170 945446602 /nfs/dbraw/zinc/44/66/02/945446602.db2.gz CDMSZZMTIPLOGA-KRWDZBQOSA-N 1 0 358.486 3.836 20 30 FHEDRO Cc1c([C@H](C)NCc2cccc(C#N)c2)nnn1-c1ccc(Cl)cc1 ZINC000151384635 945493435 /nfs/dbraw/zinc/49/34/35/945493435.db2.gz CUNPIUYGAUFZDN-ZDUSSCGKSA-N 1 0 351.841 3.952 20 30 FHEDRO CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000330308629 945511198 /nfs/dbraw/zinc/51/11/98/945511198.db2.gz MIRUGKOCCQZBFV-JWWGGVBKSA-N 1 0 374.525 3.958 20 30 FHEDRO CCCC[C@H](CC)C[N@@H+]1CCC2(CN(C(=O)c3ccccc3C#N)C2)C1 ZINC001270803262 945553676 /nfs/dbraw/zinc/55/36/76/945553676.db2.gz JSAFRARGWVYNIX-SFHVURJKSA-N 1 0 353.510 3.923 20 30 FHEDRO C=CCN(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C)COC ZINC000664930623 945571202 /nfs/dbraw/zinc/57/12/02/945571202.db2.gz KBPPYTVLIGSEBL-CTNGQTDRSA-N 1 0 373.541 3.521 20 30 FHEDRO Cc1cccc2c1CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000729480035 945587876 /nfs/dbraw/zinc/58/78/76/945587876.db2.gz UPOZFHRRHUPJCQ-UHFFFAOYSA-N 1 0 353.853 3.907 20 30 FHEDRO N#Cc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)c(C(F)(F)F)c1 ZINC000519619167 945590404 /nfs/dbraw/zinc/59/04/04/945590404.db2.gz XSDCEYDYTCUWQI-UHFFFAOYSA-N 1 0 366.412 3.792 20 30 FHEDRO C=C(Br)C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000125112335 945599867 /nfs/dbraw/zinc/59/98/67/945599867.db2.gz HVFQAMCPNHUUST-JTQLQIEISA-N 1 0 361.667 3.564 20 30 FHEDRO N#Cc1ccc(CN2CCC[C@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])c1 ZINC000519658601 945607031 /nfs/dbraw/zinc/60/70/31/945607031.db2.gz XOAQWNJATJVQRZ-KRWDZBQOSA-N 1 0 365.389 3.575 20 30 FHEDRO CC(C)(CC#N)C[NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000519641028 945613328 /nfs/dbraw/zinc/61/33/28/945613328.db2.gz ZTAUGXUMUFTALK-KRWDZBQOSA-N 1 0 354.450 3.748 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2nccc(C(F)(F)F)n2)c(O)c1 ZINC000840709066 945640411 /nfs/dbraw/zinc/64/04/11/945640411.db2.gz AUOIAQGPKJGSJT-UFFVCSGVSA-N 1 0 352.360 3.666 20 30 FHEDRO C[NH+](C)CCN(Cc1csc(C(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC000894451483 945669806 /nfs/dbraw/zinc/66/98/06/945669806.db2.gz MGNZHQLTYMZZDE-UHFFFAOYSA-N 1 0 368.428 3.597 20 30 FHEDRO C=CCOc1ccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1OC ZINC000519720038 945672824 /nfs/dbraw/zinc/67/28/24/945672824.db2.gz DUORKSDXIHYIOT-QGZVFWFLSA-N 1 0 368.477 3.510 20 30 FHEDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000519545118 945690676 /nfs/dbraw/zinc/69/06/76/945690676.db2.gz WHVHDFXRWYZYIK-VQTJNVASSA-N 1 0 372.896 3.757 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000443991899 945698785 /nfs/dbraw/zinc/69/87/85/945698785.db2.gz XFDDCDPRXMLKQD-MRXNPFEDSA-N 1 0 365.395 3.610 20 30 FHEDRO Cc1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)ccc1C#N ZINC000443998135 945701925 /nfs/dbraw/zinc/70/19/25/945701925.db2.gz SNDKZYWOIOXLLS-QGZVFWFLSA-N 1 0 373.294 3.570 20 30 FHEDRO C[NH+](C)CC[C@H](NC(=O)CCCCOc1cccc(C#N)c1)C(C)(C)C ZINC001126031402 945715919 /nfs/dbraw/zinc/71/59/19/945715919.db2.gz HMOBWDGTFBTIRM-IBGZPJMESA-N 1 0 359.514 3.590 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000661118270 945744563 /nfs/dbraw/zinc/74/45/63/945744563.db2.gz XFEQSWFJIHTBAH-DOTOQJQBSA-N 1 0 358.511 3.656 20 30 FHEDRO [NH2+]=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)NC1CCCC1 ZINC000262384155 945851363 /nfs/dbraw/zinc/85/13/63/945851363.db2.gz KZXCDUMEUTTWRJ-HNNXBMFYSA-N 1 0 354.523 3.763 20 30 FHEDRO C=CCCC1(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000475448396 945866800 /nfs/dbraw/zinc/86/68/00/945866800.db2.gz JSLGDJHMHZNWQN-INIZCTEOSA-N 1 0 359.489 3.501 20 30 FHEDRO [NH2+]=C(NCC1(Sc2ccccc2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000262394672 945913393 /nfs/dbraw/zinc/91/33/93/945913393.db2.gz MUMVOPMGRFXTKS-QGZVFWFLSA-N 1 0 353.491 3.739 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(C)nc1-c1cccs1)C(C)C ZINC000506847901 945916200 /nfs/dbraw/zinc/91/62/00/945916200.db2.gz CFANFRQVGUVRJY-KRWDZBQOSA-N 1 0 372.538 3.577 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000522833618 945953731 /nfs/dbraw/zinc/95/37/31/945953731.db2.gz ZZRDOJWYHHEGBC-GOSISDBHSA-N 1 0 362.477 3.733 20 30 FHEDRO C[N@H+](CCCC1(C#N)CCOCC1)Cc1cccc(Br)c1 ZINC000281938297 945954287 /nfs/dbraw/zinc/95/42/87/945954287.db2.gz IOMGJXKXNVZSPO-UHFFFAOYSA-N 1 0 351.288 3.981 20 30 FHEDRO C=CCC1(CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000661279393 945955858 /nfs/dbraw/zinc/95/58/58/945955858.db2.gz OLEHFRZUCBXDTD-UHFFFAOYSA-N 1 0 370.541 3.729 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000444160851 946003648 /nfs/dbraw/zinc/00/36/48/946003648.db2.gz XRZMBBAAFZQSOP-LJQANCHMSA-N 1 0 351.475 3.677 20 30 FHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000651822381 946024577 /nfs/dbraw/zinc/02/45/77/946024577.db2.gz UZUHABFRDOEUGK-XMSQKQJNSA-N 1 0 355.526 3.944 20 30 FHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC001126577599 946068990 /nfs/dbraw/zinc/06/89/90/946068990.db2.gz SHOJOSUJWYSFLM-QFIPXVFZSA-N 1 0 361.489 3.591 20 30 FHEDRO CC1(C)[C@H](NC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)[C@@H]2CCCO[C@@H]21 ZINC000262408451 946069101 /nfs/dbraw/zinc/06/91/01/946069101.db2.gz WYHKUEFAYCPXAQ-MJBXVCDLSA-N 1 0 357.376 3.515 20 30 FHEDRO CCC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000181777577 946076980 /nfs/dbraw/zinc/07/69/80/946076980.db2.gz TVUJDEZKQAQPAD-FQEVSTJZSA-N 1 0 373.460 3.813 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)CCC[NH2+]1 ZINC000662825892 946077050 /nfs/dbraw/zinc/07/70/50/946077050.db2.gz NSPWCFLZKMGSEI-JXFKEZNVSA-N 1 0 362.901 3.656 20 30 FHEDRO N#Cc1ccc(NC(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1Cl ZINC000444208355 946077388 /nfs/dbraw/zinc/07/73/88/946077388.db2.gz ACZQVXCAKDPRNN-KRWDZBQOSA-N 1 0 361.873 3.574 20 30 FHEDRO C[C@H](CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)OCc1ccccc1 ZINC000475058557 946077735 /nfs/dbraw/zinc/07/77/35/946077735.db2.gz ZBEUYCANBAZSDU-HXUWFJFHSA-N 1 0 363.505 3.671 20 30 FHEDRO CC[N@H+](CCNCc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000236880179 946217687 /nfs/dbraw/zinc/21/76/87/946217687.db2.gz PULCAXLSIFHEPK-UHFFFAOYSA-N 1 0 351.494 3.957 20 30 FHEDRO CCOc1ccc(C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000520173738 946229591 /nfs/dbraw/zinc/22/95/91/946229591.db2.gz YIZKGQBEBNGPAW-FQEVSTJZSA-N 1 0 368.477 3.607 20 30 FHEDRO Cc1nc(C)c([C@H](C)N(C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000248755467 946236282 /nfs/dbraw/zinc/23/62/82/946236282.db2.gz PHQNPQFSFAPIGC-KSSFIOAISA-N 1 0 368.506 3.820 20 30 FHEDRO CN(CCC#N)C(=O)CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511892931 946332146 /nfs/dbraw/zinc/33/21/46/946332146.db2.gz WWIXHRYWTSTSGD-IRXDYDNUSA-N 1 0 367.415 3.693 20 30 FHEDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccccc1SCC#N ZINC000843783926 946389145 /nfs/dbraw/zinc/38/91/45/946389145.db2.gz CJHDYCJZIVGHPO-UHFFFAOYSA-N 1 0 353.491 3.636 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000520312173 946401049 /nfs/dbraw/zinc/40/10/49/946401049.db2.gz OALOOUPBWDEZEY-QGZVFWFLSA-N 1 0 373.566 3.808 20 30 FHEDRO C=CCn1c(CC(C)C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508472148 946404323 /nfs/dbraw/zinc/40/43/23/946404323.db2.gz IVSJZZADCTZUKS-LJQANCHMSA-N 1 0 359.562 3.611 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652171151 946435604 /nfs/dbraw/zinc/43/56/04/946435604.db2.gz BVFNPHURMWPOHZ-JSXRDJHFSA-N 1 0 371.525 3.622 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@]2(CO)CCCc3ccccc32)ccc1OC ZINC000441357880 946483793 /nfs/dbraw/zinc/48/37/93/946483793.db2.gz NGRZIHGITFIYIF-QHCPKHFHSA-N 1 0 367.489 3.964 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)ccc1OC ZINC000441357877 946483834 /nfs/dbraw/zinc/48/38/34/946483834.db2.gz NGRZIHGITFIYIF-HSZRJFAPSA-N 1 0 367.489 3.964 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H](CO)CC3CCC3)c2)c1 ZINC000475500598 946500315 /nfs/dbraw/zinc/50/03/15/946500315.db2.gz HDVUKNWFHYFZPI-NRFANRHFSA-N 1 0 350.462 3.778 20 30 FHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000441388116 946543730 /nfs/dbraw/zinc/54/37/30/946543730.db2.gz YZOSELUXTTXMBG-RTWAWAEBSA-N 1 0 352.478 3.560 20 30 FHEDRO C=CC1CC[NH+]([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000441391219 946546692 /nfs/dbraw/zinc/54/66/92/946546692.db2.gz GHLNKKOSJJDMPU-KRWDZBQOSA-N 1 0 350.409 3.681 20 30 FHEDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905658 946594518 /nfs/dbraw/zinc/59/45/18/946594518.db2.gz HLQDJRCJQLEEBZ-IRXDYDNUSA-N 1 0 365.477 3.530 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000664969002 946601292 /nfs/dbraw/zinc/60/12/92/946601292.db2.gz CHDWMBQJOITRHA-ZIFCJYIRSA-N 1 0 359.539 3.904 20 30 FHEDRO C=CC[N@@H+](CCc1ccccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000469898413 946604938 /nfs/dbraw/zinc/60/49/38/946604938.db2.gz PZAFFVUUOSTKOO-INIZCTEOSA-N 1 0 351.429 3.593 20 30 FHEDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000661780781 946627310 /nfs/dbraw/zinc/62/73/10/946627310.db2.gz YGFUGHJLNPKKHR-IEBWSBKVSA-N 1 0 361.411 3.791 20 30 FHEDRO COc1cc2c(cc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)O[C@@H](C)C2 ZINC000237298921 946649447 /nfs/dbraw/zinc/64/94/47/946649447.db2.gz NYRGOFXXQPKSBE-GJZGRUSLSA-N 1 0 352.434 3.599 20 30 FHEDRO [NH2+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CCOc2ccccc21 ZINC000262525607 946651454 /nfs/dbraw/zinc/65/14/54/946651454.db2.gz KULCGLOJVHAHDK-GOSISDBHSA-N 1 0 368.868 3.792 20 30 FHEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000121393441 946656321 /nfs/dbraw/zinc/65/63/21/946656321.db2.gz XGOIYIIXTWSJHK-YJBOKZPZSA-N 1 0 351.425 3.904 20 30 FHEDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000151933095 946657362 /nfs/dbraw/zinc/65/73/62/946657362.db2.gz OKFTVIUARBPXIV-UHFFFAOYSA-N 1 0 365.477 3.549 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000192839565 946706927 /nfs/dbraw/zinc/70/69/27/946706927.db2.gz QEKDSWHDLYPENX-QGZVFWFLSA-N 1 0 360.498 3.772 20 30 FHEDRO CCn1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c2ccccc21 ZINC000473150125 946708265 /nfs/dbraw/zinc/70/82/65/946708265.db2.gz ZBOBVAXHCWWMNW-UHFFFAOYSA-N 1 0 359.477 3.640 20 30 FHEDRO Cc1ccc(NC(=[NH2+])NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C ZINC000303863934 946717338 /nfs/dbraw/zinc/71/73/38/946717338.db2.gz ASCHRFXBCSTMNB-MRXNPFEDSA-N 1 0 360.502 3.677 20 30 FHEDRO CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])N[C@H](C)CCCC(C)C)c1 ZINC000303907205 946734321 /nfs/dbraw/zinc/73/43/21/946734321.db2.gz WRRIELTWVZQVNS-DLBZAZTESA-N 1 0 360.546 3.834 20 30 FHEDRO C=C(C)CNC(=S)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000840821963 946758957 /nfs/dbraw/zinc/75/89/57/946758957.db2.gz IPLGRXMNXZGXTH-UHFFFAOYSA-N 1 0 353.919 3.676 20 30 FHEDRO C=CCC1([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CCCC1 ZINC000661851941 946761138 /nfs/dbraw/zinc/76/11/38/946761138.db2.gz YQAKVMDMJGFIMU-UHFFFAOYSA-N 1 0 355.482 3.621 20 30 FHEDRO C=CCC1(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCOCC1 ZINC000665821222 946761401 /nfs/dbraw/zinc/76/14/01/946761401.db2.gz JNFNCITVUKDFSO-UHFFFAOYSA-N 1 0 371.525 3.962 20 30 FHEDRO N#CC1(CCC[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CCOCC1 ZINC000282014050 946832261 /nfs/dbraw/zinc/83/22/61/946832261.db2.gz OQDXJAODBINPIO-PMACEKPBSA-N 1 0 360.473 3.814 20 30 FHEDRO C[C@@H]1Cc2cc(-c3ccc(CNC(=[NH2+])Nc4ccccn4)cc3)ccc2O1 ZINC000179109904 946854802 /nfs/dbraw/zinc/85/48/02/946854802.db2.gz NLMNBYRBIYGSRR-OAHLLOKOSA-N 1 0 358.445 3.999 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)c1ccco1 ZINC000475316960 946881278 /nfs/dbraw/zinc/88/12/78/946881278.db2.gz IMKXKLDKRZFPSF-RTBURBONSA-N 1 0 353.466 3.866 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550391237 946893813 /nfs/dbraw/zinc/89/38/13/946893813.db2.gz ALXYQWNROCHPQP-LJQANCHMSA-N 1 0 369.852 3.694 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000895041054 946922568 /nfs/dbraw/zinc/92/25/68/946922568.db2.gz FOVOHXHVMDOKBQ-UYAOXDASSA-N 1 0 356.514 3.795 20 30 FHEDRO CCc1cnc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000328607621 946955057 /nfs/dbraw/zinc/95/50/57/946955057.db2.gz LHOBALHZPXNRES-HNNXBMFYSA-N 1 0 350.532 3.506 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCOC4(CCC4)C3)CC2)CC1 ZINC000328642651 946962409 /nfs/dbraw/zinc/96/24/09/946962409.db2.gz DYSIYOFSXNBWLK-JLAWEPINSA-N 1 0 363.546 3.635 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 ZINC000328641977 946962892 /nfs/dbraw/zinc/96/28/92/946962892.db2.gz DOBVPLLYKIKMKM-WWDZGPRUSA-N 1 0 363.546 3.633 20 30 FHEDRO O=C(CN1CCC[C@H](c2ncc3n2CCCC3)C1)Nc1ccccc1F ZINC000328650357 946965332 /nfs/dbraw/zinc/96/53/32/946965332.db2.gz JEBGTQHLXJYDSB-HNNXBMFYSA-N 1 0 356.445 3.826 20 30 FHEDRO Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)CCC2 ZINC000328649909 946965556 /nfs/dbraw/zinc/96/55/56/946965556.db2.gz IWYYXODOMNABSE-HKUYNNGSSA-N 1 0 370.472 3.829 20 30 FHEDRO CCC(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000328654185 946966883 /nfs/dbraw/zinc/96/68/83/946966883.db2.gz CNMFNIGHDINBDZ-GOSISDBHSA-N 1 0 363.546 3.638 20 30 FHEDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1coc(C2CCCCC2)n1 ZINC000328674630 946976416 /nfs/dbraw/zinc/97/64/16/946976416.db2.gz KAQAAVZQTHRNDQ-OAHLLOKOSA-N 1 0 361.486 3.528 20 30 FHEDRO COc1c(Cl)cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000328674764 946976528 /nfs/dbraw/zinc/97/65/28/946976528.db2.gz KCNVTKOJNUTJKP-KGLIPLIRSA-N 1 0 358.269 3.764 20 30 FHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)c2ncccc12 ZINC000328738652 947005008 /nfs/dbraw/zinc/00/50/08/947005008.db2.gz MGXDWERJANBOJY-UHFFFAOYSA-N 1 0 373.884 3.838 20 30 FHEDRO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1 ZINC000328747744 947008431 /nfs/dbraw/zinc/00/84/31/947008431.db2.gz BBHWJLZDCZIHBC-JXFKEZNVSA-N 1 0 369.509 3.879 20 30 FHEDRO C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000444595108 947020514 /nfs/dbraw/zinc/02/05/14/947020514.db2.gz JGKVNKKONRVLTM-QZTJIDSGSA-N 1 0 368.525 3.600 20 30 FHEDRO CN(C)[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1cccc(F)c1 ZINC000237165155 947027342 /nfs/dbraw/zinc/02/73/42/947027342.db2.gz MXAVMLWTSLYPFW-NRFANRHFSA-N 1 0 355.457 3.901 20 30 FHEDRO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328805162 947028891 /nfs/dbraw/zinc/02/88/91/947028891.db2.gz CYPDPCIPYFJEHG-HHXXYDBFSA-N 1 0 358.482 3.604 20 30 FHEDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CCCC12CCOCC2 ZINC000328815547 947035017 /nfs/dbraw/zinc/03/50/17/947035017.db2.gz NQNXHRWZBGHFQI-WOJBJXKFSA-N 1 0 371.525 3.676 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000328791966 947048172 /nfs/dbraw/zinc/04/81/72/947048172.db2.gz RCECHGVASZDZLE-ZBFHGGJFSA-N 1 0 363.889 3.666 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328831803 947055443 /nfs/dbraw/zinc/05/54/43/947055443.db2.gz RIOGPRWOGCCBJE-YZGWKJHDSA-N 1 0 371.525 3.675 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000125631618 947057699 /nfs/dbraw/zinc/05/76/99/947057699.db2.gz VBOSGKOPQBKBCM-UHFFFAOYSA-N 1 0 355.482 3.701 20 30 FHEDRO CC(C)Cn1ncc(NC(=O)N2CCC(c3c[nH]cn3)CC2)c1C(F)F ZINC000328838407 947058727 /nfs/dbraw/zinc/05/87/27/947058727.db2.gz NVDOXMJGODZVKN-UHFFFAOYSA-N 1 0 366.416 3.625 20 30 FHEDRO COC(=O)C[C@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444655717 947074721 /nfs/dbraw/zinc/07/47/21/947074721.db2.gz AYRYLQDRGHSRTJ-OAQYLSRUSA-N 1 0 362.473 3.914 20 30 FHEDRO C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000328889958 947083202 /nfs/dbraw/zinc/08/32/02/947083202.db2.gz RGYHNESFVSHZQP-OXQOHEQNSA-N 1 0 359.514 3.742 20 30 FHEDRO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)c1 ZINC000328936944 947092888 /nfs/dbraw/zinc/09/28/88/947092888.db2.gz CTORSBMTVIVXFM-XFIJJGBISA-N 1 0 360.498 3.532 20 30 FHEDRO CC(C)(C)[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000328918184 947107542 /nfs/dbraw/zinc/10/75/42/947107542.db2.gz LBQSQZOGFMFGKB-AQNXPRMDSA-N 1 0 373.541 3.921 20 30 FHEDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444685052 947108288 /nfs/dbraw/zinc/10/82/88/947108288.db2.gz MRQKSPOKZZFNOX-FCHUYYIVSA-N 1 0 364.489 3.670 20 30 FHEDRO C[C@@H]1C[C@H](C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CCC1=O ZINC000328923599 947110888 /nfs/dbraw/zinc/11/08/88/947110888.db2.gz NDMZNKRULBJKGZ-JFIYKMOQSA-N 1 0 370.493 3.936 20 30 FHEDRO C[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)[C@H](c2ccccc2)C1 ZINC000328926499 947112014 /nfs/dbraw/zinc/11/20/14/947112014.db2.gz FHGVWHWJHDWBEB-LPHOPBHVSA-N 1 0 363.461 3.968 20 30 FHEDRO Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000328974942 947129803 /nfs/dbraw/zinc/12/98/03/947129803.db2.gz PTMFZWKQCMOYCB-LSTHTHJFSA-N 1 0 366.509 3.794 20 30 FHEDRO C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)C(=O)NCC[NH+]1CCCCC1 ZINC000328981839 947132958 /nfs/dbraw/zinc/13/29/58/947132958.db2.gz DVONATLSPDOTOA-VQIMIIECSA-N 1 0 357.498 3.894 20 30 FHEDRO Cn1c(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)nc2cccc(Cl)c21 ZINC000262558618 947139045 /nfs/dbraw/zinc/13/90/45/947139045.db2.gz VQTAXIBYQKOKOX-UHFFFAOYSA-N 1 0 353.857 3.642 20 30 FHEDRO C[NH+](C)C1(CNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)CCCC1 ZINC000328998890 947140232 /nfs/dbraw/zinc/14/02/32/947140232.db2.gz WZRRFTRHRNOTHW-OAHLLOKOSA-N 1 0 363.527 3.574 20 30 FHEDRO CCOc1ccc(Br)cc1NC(=O)NC1CC[NH+](CC)CC1 ZINC000330516512 947187151 /nfs/dbraw/zinc/18/71/51/947187151.db2.gz WLGLNLWLQGAKGX-UHFFFAOYSA-N 1 0 370.291 3.658 20 30 FHEDRO C=CC[C@H]1[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000444780503 947195105 /nfs/dbraw/zinc/19/51/05/947195105.db2.gz FMTOSXQEYISHOT-GOSISDBHSA-N 1 0 351.512 3.536 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)[C@@H](C)C1 ZINC000330501607 947203573 /nfs/dbraw/zinc/20/35/73/947203573.db2.gz VBBGGZJKUGMQPY-ZFWWWQNUSA-N 1 0 371.476 3.684 20 30 FHEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC000444773971 947209091 /nfs/dbraw/zinc/20/90/91/947209091.db2.gz HBMITOJAEYEDNM-KRWDZBQOSA-N 1 0 361.442 3.609 20 30 FHEDRO COc1ccc(C2([NH2+]Cc3ccc(C#N)cc3OC)CCOCC2)cc1F ZINC000444807519 947222980 /nfs/dbraw/zinc/22/29/80/947222980.db2.gz YWHIJASVAYWFEL-UHFFFAOYSA-N 1 0 370.424 3.510 20 30 FHEDRO C[NH+]1CCC(C)(CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 ZINC000330784325 947284262 /nfs/dbraw/zinc/28/42/62/947284262.db2.gz RQCBLXCNIDSBEF-UHFFFAOYSA-N 1 0 360.424 3.693 20 30 FHEDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000330911260 947309281 /nfs/dbraw/zinc/30/92/81/947309281.db2.gz HGXWXYDDKPKRNO-UKRRQHHQSA-N 1 0 364.287 3.758 20 30 FHEDRO CCCOc1c(Cl)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000330916195 947320596 /nfs/dbraw/zinc/32/05/96/947320596.db2.gz UWFAMAQGONYOLQ-TZMCWYRMSA-N 1 0 354.878 3.925 20 30 FHEDRO CNC(=O)c1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1Cl ZINC000331133864 947353393 /nfs/dbraw/zinc/35/33/93/947353393.db2.gz CBLKTWVIPTYANG-UHFFFAOYSA-N 1 0 351.878 3.725 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440611885 947361476 /nfs/dbraw/zinc/36/14/76/947361476.db2.gz LTVTXUCFNMHXBI-IEBWSBKVSA-N 1 0 360.816 3.979 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000523549425 947361934 /nfs/dbraw/zinc/36/19/34/947361934.db2.gz NJRAYCOZYZIQFW-ZDUSSCGKSA-N 1 0 358.404 3.730 20 30 FHEDRO CC(=O)N(C)c1cccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000331175185 947365972 /nfs/dbraw/zinc/36/59/72/947365972.db2.gz PISRZUKXJSAHKD-IBGZPJMESA-N 1 0 360.502 3.506 20 30 FHEDRO CCNC(=O)Nc1ccc(C)c(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000331221083 947373500 /nfs/dbraw/zinc/37/35/00/947373500.db2.gz YKCNOHJAQCSXMX-SFHVURJKSA-N 1 0 360.502 3.790 20 30 FHEDRO CNC(=O)c1cccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1C ZINC000331279702 947376005 /nfs/dbraw/zinc/37/60/05/947376005.db2.gz DXEREDGBFBBBFR-INIZCTEOSA-N 1 0 360.502 3.766 20 30 FHEDRO Cc1ccc(NC(=O)N(C)C)cc1NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000331242489 947379539 /nfs/dbraw/zinc/37/95/39/947379539.db2.gz PLTKLTCUAPZZCX-GOSISDBHSA-N 1 0 360.502 3.551 20 30 FHEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000331244648 947380222 /nfs/dbraw/zinc/38/02/22/947380222.db2.gz QTHNKJCRMHVDEK-KRWDZBQOSA-N 1 0 360.502 3.695 20 30 FHEDRO COC(=O)c1c(C)c(C)sc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000331255828 947381274 /nfs/dbraw/zinc/38/12/74/947381274.db2.gz VVIFPZHMOBYHID-CQSZACIVSA-N 1 0 367.515 3.503 20 30 FHEDRO CCN(CC)C(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000331308963 947383367 /nfs/dbraw/zinc/38/33/67/947383367.db2.gz YBVNQRXKNBLZFT-VQIMIIECSA-N 1 0 374.529 3.519 20 30 FHEDRO CCN(CC)C(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000331308960 947383594 /nfs/dbraw/zinc/38/35/94/947383594.db2.gz YBVNQRXKNBLZFT-APWZRJJASA-N 1 0 374.529 3.519 20 30 FHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000331319587 947385276 /nfs/dbraw/zinc/38/52/76/947385276.db2.gz KSSHXSCBOWUUHD-CYBMUJFWSA-N 1 0 364.287 3.603 20 30 FHEDRO CCCCN(C)C(=O)C1CCN(C(=O)Nc2c(C)cc(C)nc2C)CC1 ZINC000331352318 947401849 /nfs/dbraw/zinc/40/18/49/947401849.db2.gz ZIOYLCVDFOPTTI-UHFFFAOYSA-N 1 0 360.502 3.523 20 30 FHEDRO COc1cc(C[NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)ccc1C#N ZINC000440631404 947412298 /nfs/dbraw/zinc/41/22/98/947412298.db2.gz YNFMYUBJZQESTE-INIZCTEOSA-N 1 0 360.461 3.782 20 30 FHEDRO CC(C)(C)OC(=O)C1CCC(NC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000093887996 947501484 /nfs/dbraw/zinc/50/14/84/947501484.db2.gz NLLPJDVZBZBFCH-UHFFFAOYSA-N 1 0 357.498 3.802 20 30 FHEDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000264856530 947505921 /nfs/dbraw/zinc/50/59/21/947505921.db2.gz DBVVMCYGWSEZTH-INIZCTEOSA-N 1 0 367.518 3.921 20 30 FHEDRO C[NH+](C)[C@H]1CCCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440662024 947523635 /nfs/dbraw/zinc/52/36/35/947523635.db2.gz GQEFZXVKUUQIHE-AWEZNQCLSA-N 1 0 373.298 3.789 20 30 FHEDRO C=CC[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000189059179 947589231 /nfs/dbraw/zinc/58/92/31/947589231.db2.gz UMQJPVUUHYSLBE-NRFANRHFSA-N 1 0 352.478 3.603 20 30 FHEDRO C[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000500440418 947705473 /nfs/dbraw/zinc/70/54/73/947705473.db2.gz KAUCZOGZDCHBAQ-MOPGFXCFSA-N 1 0 373.500 3.711 20 30 FHEDRO Cc1ccc(C)n1C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000523947967 947752897 /nfs/dbraw/zinc/75/28/97/947752897.db2.gz WVBGJJULMWKKGP-UHFFFAOYSA-N 1 0 364.493 3.689 20 30 FHEDRO CC[NH+]1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000105040196 947775175 /nfs/dbraw/zinc/77/51/75/947775175.db2.gz POPGBHZGKUQZOP-UHFFFAOYSA-N 1 0 364.449 3.956 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189813042 947842766 /nfs/dbraw/zinc/84/27/66/947842766.db2.gz JEGOJINOMTXFDZ-KRWDZBQOSA-N 1 0 367.493 3.905 20 30 FHEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000613896201 947856745 /nfs/dbraw/zinc/85/67/45/947856745.db2.gz WWASYCAHIVSTTJ-CQSZACIVSA-N 1 0 352.438 3.851 20 30 FHEDRO C#CCOc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000236788952 947874668 /nfs/dbraw/zinc/87/46/68/947874668.db2.gz PIMPJNMYJHAFIC-QFIPXVFZSA-N 1 0 351.446 3.957 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)CCC[NH2+]1 ZINC000662519069 947889430 /nfs/dbraw/zinc/88/94/30/947889430.db2.gz WZSWURNDLGLJTG-QFIPXVFZSA-N 1 0 363.461 3.884 20 30 FHEDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662567897 947907636 /nfs/dbraw/zinc/90/76/36/947907636.db2.gz INHCNMCMOPNTMF-VIFPVBQESA-N 1 0 374.300 3.833 20 30 FHEDRO CN(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000662567305 947907975 /nfs/dbraw/zinc/90/79/75/947907975.db2.gz UBPIVYXLPVPYAI-UHFFFAOYSA-N 1 0 372.284 3.538 20 30 FHEDRO Cc1ccc([C@H](Cn2ccnc2)NC(=O)CCc2ccc(C#N)cc2)c(C)c1 ZINC000441484503 947930763 /nfs/dbraw/zinc/93/07/63/947930763.db2.gz AVEFLMLQAARXED-QFIPXVFZSA-N 1 0 372.472 3.862 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CCC[NH2+]1 ZINC000662687172 947980820 /nfs/dbraw/zinc/98/08/20/947980820.db2.gz VENRLYNWHNRMIC-HXUWFJFHSA-N 1 0 373.884 3.886 20 30 FHEDRO N#Cc1c(Cl)c2cc(C(F)(F)F)ccc2nc1NC(=N)SCC[NH3+] ZINC001167913895 948016864 /nfs/dbraw/zinc/01/68/64/948016864.db2.gz PHQWNVHDKVAMHD-UHFFFAOYSA-N 1 0 373.791 3.817 20 30 FHEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2c(CO)cnc(C)c2O)cc1 ZINC001167821970 948084291 /nfs/dbraw/zinc/08/42/91/948084291.db2.gz MFPGOSVRNMGAKL-FQEVSTJZSA-N 1 0 353.466 3.523 20 30 FHEDRO CCCC[N@@H+]1Cc2cccc(N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2C1 ZINC000066967339 948106865 /nfs/dbraw/zinc/10/68/65/948106865.db2.gz HYENOWLYDNTDCQ-IERDGZPVSA-N 1 0 356.514 3.657 20 30 FHEDRO N#Cc1cccc(F)c1CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000507771104 948164663 /nfs/dbraw/zinc/16/46/63/948164663.db2.gz MZJUCNKNTLMUKW-UHFFFAOYSA-N 1 0 365.452 3.907 20 30 FHEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441521151 948197878 /nfs/dbraw/zinc/19/78/78/948197878.db2.gz CTLJSKVQAVNIDG-IBGZPJMESA-N 1 0 374.444 3.824 20 30 FHEDRO O=C(CC[NH2+][C@@H]1C[C@H]2C[C@H]2C1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001167914482 948219750 /nfs/dbraw/zinc/21/97/50/948219750.db2.gz WBTZYYXQUFVMCG-KOUNCHBCSA-N 1 0 356.469 3.711 20 30 FHEDRO N#CCCn1cc(C[NH2+]CCc2ccc3c[nH]nc3c2)c(-c2ccccc2)n1 ZINC000585743414 948255466 /nfs/dbraw/zinc/25/54/66/948255466.db2.gz IFEHVGJBOXKRHX-UHFFFAOYSA-N 1 0 370.460 3.672 20 30 FHEDRO CN(C(=O)[C@]1(C#N)CC2CCC1CC2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000909440988 948297134 /nfs/dbraw/zinc/29/71/34/948297134.db2.gz VEDWITGFUGOOJN-JMLCCBQJSA-N 1 0 371.447 3.582 20 30 FHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cscc3C#N)cc2)CC1 ZINC000432391758 948315029 /nfs/dbraw/zinc/31/50/29/948315029.db2.gz NJPXRFHRUZGWLH-UHFFFAOYSA-N 1 0 353.491 3.782 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCO3)cc1 ZINC000237202809 948382952 /nfs/dbraw/zinc/38/29/52/948382952.db2.gz TYHBAPFRKOSFPA-UHFFFAOYSA-N 1 0 365.477 3.833 20 30 FHEDRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(C#N)ccn1 ZINC001167842920 948394465 /nfs/dbraw/zinc/39/44/65/948394465.db2.gz COQNDMFJWNHBTK-QRWLVFNGSA-N 1 0 358.486 3.516 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000279039355 948425322 /nfs/dbraw/zinc/42/53/22/948425322.db2.gz XMULUDWNKJHSOU-UHFFFAOYSA-N 1 0 358.417 3.785 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000507803241 948652986 /nfs/dbraw/zinc/65/29/86/948652986.db2.gz HFDOFBJNHZIEPV-UHFFFAOYSA-N 1 0 358.445 3.787 20 30 FHEDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)Cc1ccccc1 ZINC000031653554 204918909 /nfs/dbraw/zinc/91/89/09/204918909.db2.gz ZCHXEDBRLXYOND-LJQANCHMSA-N 1 0 352.438 3.831 20 30 FHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F ZINC000601967474 567889513 /nfs/dbraw/zinc/88/95/13/567889513.db2.gz JQFKRSKIHFUVMW-LBPRGKRZSA-N 1 0 353.388 3.620 20 30 FHEDRO C[N@@H+]1CC[C@H](CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000602071292 567925623 /nfs/dbraw/zinc/92/56/23/567925623.db2.gz KPTAUNKYAQYCSL-GOSISDBHSA-N 1 0 363.461 3.612 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481459523 567956087 /nfs/dbraw/zinc/95/60/87/567956087.db2.gz MPNKZUOGUAAJNO-OALUTQOASA-N 1 0 370.541 3.846 20 30 FHEDRO COc1ccccc1[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)N1CCCC1 ZINC000602498383 567983594 /nfs/dbraw/zinc/98/35/94/567983594.db2.gz JOWDPIKCPFEHRC-QUCCMNQESA-N 1 0 371.525 3.521 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1N[C@H](C)CC1(C#N)CCOCC1 ZINC000602489760 567986009 /nfs/dbraw/zinc/98/60/09/567986009.db2.gz OYGXADVXERDWRL-GOSISDBHSA-N 1 0 359.514 3.918 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000602523909 567987586 /nfs/dbraw/zinc/98/75/86/567987586.db2.gz IBXCUQUNUDYDNN-LBPRGKRZSA-N 1 0 355.251 3.777 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccccc1Br ZINC000602529381 567988132 /nfs/dbraw/zinc/98/81/32/567988132.db2.gz BCZQUILVUFHZPI-CQSZACIVSA-N 1 0 351.288 3.680 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000602507034 567988782 /nfs/dbraw/zinc/98/87/82/567988782.db2.gz NQPQNTSYYYMFNW-GOSISDBHSA-N 1 0 355.526 3.512 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000602543056 567989927 /nfs/dbraw/zinc/98/99/27/567989927.db2.gz GAOVNEZXZJLFHI-OAHLLOKOSA-N 1 0 357.429 3.712 20 30 FHEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@@H](C)CCC#N ZINC000602544158 567989957 /nfs/dbraw/zinc/98/99/57/567989957.db2.gz FCUONVBQUDFEIE-LBPRGKRZSA-N 1 0 352.276 3.616 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000602544112 567990011 /nfs/dbraw/zinc/99/00/11/567990011.db2.gz HOJZFDBWHOIDGM-MRXNPFEDSA-N 1 0 370.522 3.826 20 30 FHEDRO CN1CC[C@@H]([NH2+]CCCCC#N)C[C@@H]1c1ccc(Br)cc1 ZINC000602541233 567992983 /nfs/dbraw/zinc/99/29/83/567992983.db2.gz OWEXUFRCQYBXGS-IAGOWNOFSA-N 1 0 350.304 3.868 20 30 FHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]C2CCC(C#N)CC2)c2ccccc2)c1 ZINC000602586968 567994497 /nfs/dbraw/zinc/99/44/97/567994497.db2.gz FJUPUOISCOKLBR-IOYBJCICSA-N 1 0 368.502 3.851 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000602570802 567996102 /nfs/dbraw/zinc/99/61/02/567996102.db2.gz UEHCQJDUXYWMLN-OAHLLOKOSA-N 1 0 364.331 3.943 20 30 FHEDRO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602605505 567997116 /nfs/dbraw/zinc/99/71/16/567997116.db2.gz WCBGOESZTJLZMO-AEFFLSMTSA-N 1 0 367.415 3.954 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000602598131 568000119 /nfs/dbraw/zinc/00/01/19/568000119.db2.gz BTLSQYUYUGPIPO-LSDHHAIUSA-N 1 0 365.880 3.746 20 30 FHEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000602599897 568000468 /nfs/dbraw/zinc/00/04/68/568000468.db2.gz TTWSELAJVCGHIN-RDJZCZTQSA-N 1 0 357.502 3.658 20 30 FHEDRO Cc1cc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)ccc1Br ZINC000602687702 568011411 /nfs/dbraw/zinc/01/14/11/568011411.db2.gz AAOXAEWGOVVGJH-AWEZNQCLSA-N 1 0 351.288 3.946 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000602714023 568019718 /nfs/dbraw/zinc/01/97/18/568019718.db2.gz FJGYBTGHFBIFSH-SJLPKXTDSA-N 1 0 350.466 3.548 20 30 FHEDRO COC(=O)c1cc(C2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)no1 ZINC000602742532 568021194 /nfs/dbraw/zinc/02/11/94/568021194.db2.gz HOYONMWRCBJRSW-UHFFFAOYSA-N 1 0 367.449 3.642 20 30 FHEDRO CSc1ccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000568319862 568024097 /nfs/dbraw/zinc/02/40/97/568024097.db2.gz XUJWAHDUGGMSQA-FQEVSTJZSA-N 1 0 367.518 3.632 20 30 FHEDRO C=CCCC[C@@H](C)[NH+]1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 ZINC000602968520 568025723 /nfs/dbraw/zinc/02/57/23/568025723.db2.gz IHPNQYBBJAMFDD-CYBMUJFWSA-N 1 0 370.444 3.774 20 30 FHEDRO N#Cc1cnn2cc(C[N@@H+]3CCCC[C@@H]3CCCc3ccccc3)cnc12 ZINC000568392488 568036698 /nfs/dbraw/zinc/03/66/98/568036698.db2.gz DPDTXWUPUDGKOJ-OAQYLSRUSA-N 1 0 359.477 3.978 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602837875 568050685 /nfs/dbraw/zinc/05/06/85/568050685.db2.gz PLGXONRZFOKFDH-VQIMIIECSA-N 1 0 358.486 3.563 20 30 FHEDRO Cc1cc(NC(=O)c2ccc(C#N)s2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481631701 568071879 /nfs/dbraw/zinc/07/18/79/568071879.db2.gz SSJIOMFJFWMNKO-UHFFFAOYSA-N 1 0 368.506 3.711 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000481658153 568081472 /nfs/dbraw/zinc/08/14/72/568081472.db2.gz GRGMHNNQBMWABT-OAQYLSRUSA-N 1 0 365.452 3.875 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000481677193 568084973 /nfs/dbraw/zinc/08/49/73/568084973.db2.gz YPLVLOWJMQDLJO-AVRDEDQJSA-N 1 0 352.453 3.906 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000481677203 568085408 /nfs/dbraw/zinc/08/54/08/568085408.db2.gz YPLVLOWJMQDLJO-PGRDOPGGSA-N 1 0 352.453 3.906 20 30 FHEDRO CC[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000481709102 568090495 /nfs/dbraw/zinc/09/04/95/568090495.db2.gz BVWRHWSVHZIZGW-LJQANCHMSA-N 1 0 366.440 3.656 20 30 FHEDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000481716662 568093858 /nfs/dbraw/zinc/09/38/58/568093858.db2.gz HCXGRZKENOTYDP-GOSISDBHSA-N 1 0 354.397 3.617 20 30 FHEDRO COc1ccc([C@H](O)C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)cc1 ZINC000291302244 568099644 /nfs/dbraw/zinc/09/96/44/568099644.db2.gz QSLMTAKQQMXLIR-QFIPXVFZSA-N 1 0 366.461 3.521 20 30 FHEDRO N#Cc1ccsc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000568672731 568117023 /nfs/dbraw/zinc/11/70/23/568117023.db2.gz KRNZGURDQODSCD-HNNXBMFYSA-N 1 0 361.417 3.716 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000603823251 568149973 /nfs/dbraw/zinc/14/99/73/568149973.db2.gz UBKNNKOAYXMHMW-IGCXYCKISA-N 1 0 355.404 3.799 20 30 FHEDRO CCC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000603838575 568160713 /nfs/dbraw/zinc/16/07/13/568160713.db2.gz TVPVVPSYQUNNOU-NRFANRHFSA-N 1 0 352.478 3.713 20 30 FHEDRO COCCOc1ncccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481914276 568182119 /nfs/dbraw/zinc/18/21/19/568182119.db2.gz KBSMKEKLUSMYQA-FQEVSTJZSA-N 1 0 351.450 3.536 20 30 FHEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N(C)C)cc1OC ZINC000181918435 568196339 /nfs/dbraw/zinc/19/63/39/568196339.db2.gz ZLNDBWCPXKZFGM-HNAYVOBHSA-N 1 0 353.466 3.529 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000568806700 568229115 /nfs/dbraw/zinc/22/91/15/568229115.db2.gz JTTBWYFCUGRDPH-RTWAWAEBSA-N 1 0 374.488 3.853 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NCc2nc(C#N)cs2)CC1 ZINC000568847565 568236088 /nfs/dbraw/zinc/23/60/88/568236088.db2.gz NZDUGCRJGWQKGK-UHFFFAOYSA-N 1 0 362.886 3.753 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+][C@@H]3CC[C@H](c4cccc(Cl)c4)C3)cnc12 ZINC000568885544 568248091 /nfs/dbraw/zinc/24/80/91/568248091.db2.gz XJVDYQUDGUVUBB-MAUKXSAKSA-N 1 0 351.841 3.680 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000604414491 568279266 /nfs/dbraw/zinc/27/92/66/568279266.db2.gz USQJWQWAPCGJAC-DENIHFKCSA-N 1 0 363.505 3.853 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128779448 568292774 /nfs/dbraw/zinc/29/27/74/568292774.db2.gz UYYVUNHKHVGVEZ-MRXNPFEDSA-N 1 0 369.852 3.694 20 30 FHEDRO CCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc21 ZINC000604503421 568302128 /nfs/dbraw/zinc/30/21/28/568302128.db2.gz OLXOIOLEGXNDAB-NZQKXSOJSA-N 1 0 364.489 3.892 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520758 568308017 /nfs/dbraw/zinc/30/80/17/568308017.db2.gz MHISSABTTLGMJM-IWLVTHKOSA-N 1 0 371.525 3.529 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000604608344 568326211 /nfs/dbraw/zinc/32/62/11/568326211.db2.gz NXENMTZENZOUEV-LEWJYISDSA-N 1 0 369.530 3.945 20 30 FHEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CCOCC2)cc1 ZINC000365269968 568388391 /nfs/dbraw/zinc/38/83/91/568388391.db2.gz RVQVSNXFNPCDFZ-OAQYLSRUSA-N 1 0 354.425 3.963 20 30 FHEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCC[NH+](C)C ZINC000569725420 568414378 /nfs/dbraw/zinc/41/43/78/568414378.db2.gz XRFCKCQQCMDZGA-UHFFFAOYSA-N 1 0 352.438 3.724 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c(C(F)(F)F)c1 ZINC000569979352 568445655 /nfs/dbraw/zinc/44/56/55/568445655.db2.gz PPFVOKZHQPDQDI-IBGZPJMESA-N 1 0 360.379 3.891 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H](CO)C3CCCC3)c2)c1 ZINC000570090390 568458391 /nfs/dbraw/zinc/45/83/91/568458391.db2.gz ROJPBFYUWGLEPH-JOCHJYFZSA-N 1 0 350.462 3.778 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000050091858 568705365 /nfs/dbraw/zinc/70/53/65/568705365.db2.gz FLXWCNZPHWHWAN-UHFFFAOYSA-N 1 0 366.465 3.729 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)cc1F ZINC000225536730 571337049 /nfs/dbraw/zinc/33/70/49/571337049.db2.gz TWSIGULIBTWMCW-ZDUSSCGKSA-N 1 0 352.335 3.819 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000819758675 599395819 /nfs/dbraw/zinc/39/58/19/599395819.db2.gz FLGSEWZHGXOUHN-ZDUSSCGKSA-N 1 0 369.856 3.936 20 30 FHEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824530416 609152354 /nfs/dbraw/zinc/15/23/54/609152354.db2.gz KYYADRTWDCZUBO-FZKQIMNGSA-N 1 0 350.401 3.701 20 30 FHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164416249 718892597 /nfs/dbraw/zinc/89/25/97/718892597.db2.gz CJQLQHJVNBCYFJ-HNNXBMFYSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164768775 721298870 /nfs/dbraw/zinc/29/88/70/721298870.db2.gz GIKYLNPXNAZXGJ-UHFFFAOYSA-N 1 0 350.491 3.604 20 30 FHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164775572 721302995 /nfs/dbraw/zinc/30/29/95/721302995.db2.gz ZYPPCOCALLTHAB-UHFFFAOYSA-N 1 0 370.859 3.821 20 30 FHEDRO C=CC[NH+]1CCN(c2nc(-c3cccc(OC)c3)nc3ccccc32)CC1 ZINC001165034927 721871899 /nfs/dbraw/zinc/87/18/99/721871899.db2.gz QLQCQJCKPCZHCJ-UHFFFAOYSA-N 1 0 360.461 3.613 20 30 FHEDRO CSc1nc(-c2ccccc2)nc(N2CCC(C[NH+](C)C)CC2)c1C#N ZINC001165042645 721946813 /nfs/dbraw/zinc/94/68/13/721946813.db2.gz VUBAVGVTMKXQOK-UHFFFAOYSA-N 1 0 367.522 3.515 20 30 FHEDRO C[NH+](C)CC1CCN(c2ccc(COc3ccc(CC#N)cc3)cn2)CC1 ZINC001165045220 721949444 /nfs/dbraw/zinc/94/94/44/721949444.db2.gz NGNDCCJYWWRBMH-UHFFFAOYSA-N 1 0 364.493 3.505 20 30 FHEDRO N#Cc1cc(C(F)(F)N2CCCC[C@H]2CC[NH+]2CCCC2)cnc1Cl ZINC001165049421 721970524 /nfs/dbraw/zinc/97/05/24/721970524.db2.gz SOUDYMACKSMLEP-INIZCTEOSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047019 721973712 /nfs/dbraw/zinc/97/37/12/721973712.db2.gz DGTFGEFHUKNXBB-HNNXBMFYSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046582 721974990 /nfs/dbraw/zinc/97/49/90/721974990.db2.gz AJFBACXZBDLTBU-FQEVSTJZSA-N 1 0 361.493 3.860 20 30 FHEDRO CC[NH+](CC)C1CCN(c2ccc([C@H](C#N)c3ccc(C)cc3)nn2)CC1 ZINC001165051962 722000825 /nfs/dbraw/zinc/00/08/25/722000825.db2.gz KOHMJGXJTWCJNP-HXUWFJFHSA-N 1 0 363.509 3.751 20 30 FHEDRO N#Cc1cc(Cl)cnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994877 722206250 /nfs/dbraw/zinc/20/62/50/722206250.db2.gz JAJUUGWGXBDHIO-FQEVSTJZSA-N 1 0 370.859 3.991 20 30 FHEDRO Cc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1CC#N ZINC001164995909 722209427 /nfs/dbraw/zinc/20/94/27/722209427.db2.gz PSJFJMMJKCYBTE-QFIPXVFZSA-N 1 0 364.468 3.840 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000473073379 945064409 /nfs/dbraw/zinc/06/44/09/945064409.db2.gz BLMTXCDCDWZASF-UHFFFAOYSA-N 1 0 355.453 3.960 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1CNc1nc2ccccn2c1C#N ZINC000516610121 945064683 /nfs/dbraw/zinc/06/46/83/945064683.db2.gz ODDKVUMGDDXAJE-UHFFFAOYSA-N 1 0 363.465 3.539 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000511770441 945065458 /nfs/dbraw/zinc/06/54/58/945065458.db2.gz IUPGWIOOAHRNQV-INIZCTEOSA-N 1 0 373.516 3.992 20 30 FHEDRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000583058966 937087682 /nfs/dbraw/zinc/08/76/82/937087682.db2.gz VXFBNDWIWVHDCQ-INIZCTEOSA-N 1 0 364.493 3.607 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000160179778 927094917 /nfs/dbraw/zinc/09/49/17/927094917.db2.gz FIIWNDKGGRIQHA-UTKZUKDTSA-N 1 0 366.461 3.864 20 30 FHEDRO C[C@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)Nc1ccccc1C#N ZINC000091552806 937138396 /nfs/dbraw/zinc/13/83/96/937138396.db2.gz CDHZQFWBRXVBPX-INIZCTEOSA-N 1 0 362.477 3.634 20 30 FHEDRO N#CC1(NC(=O)CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000579717723 927166982 /nfs/dbraw/zinc/16/69/82/927166982.db2.gz IRFZCKIIRPXNJZ-IBGZPJMESA-N 1 0 371.550 3.727 20 30 FHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)nc1 ZINC000430185819 927665329 /nfs/dbraw/zinc/66/53/29/927665329.db2.gz KIUIPQPZBUSMPH-FQEVSTJZSA-N 1 0 356.429 3.669 20 30 FHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(-n3ccnc3[C@H]3CCC[NH2+]C3)c12 ZINC001167060254 927783548 /nfs/dbraw/zinc/78/35/48/927783548.db2.gz PDLHXAWJGPMYMZ-LBPRGKRZSA-N 1 0 369.831 3.860 20 30 FHEDRO Cc1ccc2nc(-n3ccnc3[C@H]3CCC[NH2+]C3)c(C#N)c(Cl)c2c1 ZINC001167060648 927786728 /nfs/dbraw/zinc/78/67/28/927786728.db2.gz WEDSHWPKBLNBLD-ZDUSSCGKSA-N 1 0 351.841 3.721 20 30 FHEDRO C[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccccc1 ZINC000248045273 937199063 /nfs/dbraw/zinc/19/90/63/937199063.db2.gz MVBNXSPZBAHFTQ-FGZHOGPDSA-N 1 0 374.488 3.678 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000187145781 927976897 /nfs/dbraw/zinc/97/68/97/927976897.db2.gz MNGYVDRKAHQYDS-INIZCTEOSA-N 1 0 354.498 3.716 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510087749 928021671 /nfs/dbraw/zinc/02/16/71/928021671.db2.gz OABIADCNVPPLPU-NQIIRXRSSA-N 1 0 361.489 3.897 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)CCC[C@H]2C)cc1 ZINC000610215470 928190519 /nfs/dbraw/zinc/19/05/19/928190519.db2.gz XWOTXYBGJVLPBY-ZWKOTPCHSA-N 1 0 357.498 3.842 20 30 FHEDRO N#Cc1cc(F)c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000154125332 928218868 /nfs/dbraw/zinc/21/88/68/928218868.db2.gz CAMKYYGOFRKJNQ-UHFFFAOYSA-N 1 0 361.436 3.565 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1C#N ZINC000157662807 928406691 /nfs/dbraw/zinc/40/66/91/928406691.db2.gz CAZHKNKLKSZCLE-MRXNPFEDSA-N 1 0 372.494 3.831 20 30 FHEDRO CC[NH+]1CCN([C@H](C)CNc2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000579856358 928615480 /nfs/dbraw/zinc/61/54/80/928615480.db2.gz WGLITEHBPYEEMM-OAHLLOKOSA-N 1 0 371.916 3.506 20 30 FHEDRO C=CCOc1ccc(/C=C\C(=O)NCCC2CC[NH+](CC)CC2)cc1OC ZINC000254974342 928618009 /nfs/dbraw/zinc/61/80/09/928618009.db2.gz JJONHEBMBFICJD-CLFYSBASSA-N 1 0 372.509 3.511 20 30 FHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208860280 928800109 /nfs/dbraw/zinc/80/01/09/928800109.db2.gz JHLJEOJVCGPAIZ-QFIPXVFZSA-N 1 0 367.493 3.601 20 30 FHEDRO COc1cc(N2CC[NH+](CCCc3ccc(C#N)cc3)CC2)ccc1Cl ZINC001208864023 928813101 /nfs/dbraw/zinc/81/31/01/928813101.db2.gz HEWBIROCZGASBM-UHFFFAOYSA-N 1 0 369.896 3.975 20 30 FHEDRO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278157136 937278178 /nfs/dbraw/zinc/27/81/78/937278178.db2.gz AZCPBTCYPGLMMN-QRWLVFNGSA-N 1 0 371.506 3.610 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)CCC1 ZINC000187825241 928887740 /nfs/dbraw/zinc/88/77/40/928887740.db2.gz OJPLPSDGLFTLHC-UHFFFAOYSA-N 1 0 370.497 3.587 20 30 FHEDRO Cc1nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c(C#N)c(C)c1Cl ZINC001167086313 928921461 /nfs/dbraw/zinc/92/14/61/928921461.db2.gz ZCVFATUCHZGPJJ-UHFFFAOYSA-N 1 0 354.816 3.952 20 30 FHEDRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC001208920993 929007302 /nfs/dbraw/zinc/00/73/02/929007302.db2.gz VSANUTBBNGPGHO-VQIMIIECSA-N 1 0 357.498 3.726 20 30 FHEDRO N#Cc1ccc(CC[N@H+]2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)cc1 ZINC001208926291 929019151 /nfs/dbraw/zinc/01/91/51/929019151.db2.gz DVNDVZLSGXCDEF-QHCPKHFHSA-N 1 0 363.480 3.980 20 30 FHEDRO C[C@H](C/N=C\c1cc(Cl)ccc1O)[NH+]1CCN(c2ccccc2)CC1 ZINC000255014156 929093674 /nfs/dbraw/zinc/09/36/74/929093674.db2.gz UYPHTZPJDKOWHU-GRVPHDJPSA-N 1 0 357.885 3.675 20 30 FHEDRO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)n1 ZINC000578285516 929136902 /nfs/dbraw/zinc/13/69/02/929136902.db2.gz IUNXEGBWNJNGBF-LLVKDONJSA-N 1 0 353.278 3.690 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000154827190 929309346 /nfs/dbraw/zinc/30/93/46/929309346.db2.gz FRBIYHUBLVTGFC-CABCVRRESA-N 1 0 361.436 3.563 20 30 FHEDRO CCCNC(=S)C(C(=O)c1nccs1)[n+]1ccc(C(C)(C)C)cc1 ZINC000278187213 937324937 /nfs/dbraw/zinc/32/49/37/937324937.db2.gz FVASSAVOVCJGEI-UHFFFAOYSA-O 1 0 362.544 3.667 20 30 FHEDRO C[C@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187212523 929553876 /nfs/dbraw/zinc/55/38/76/929553876.db2.gz ZFTJKUHRBCSWFH-KKSFZXQISA-N 1 0 367.518 3.599 20 30 FHEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000579967354 929647038 /nfs/dbraw/zinc/64/70/38/929647038.db2.gz FHAGJGMQBWRNIO-KRWDZBQOSA-N 1 0 357.498 3.819 20 30 FHEDRO COc1ccccc1C[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000185883009 929697444 /nfs/dbraw/zinc/69/74/44/929697444.db2.gz FKERLRVCYUBTNO-GOSISDBHSA-N 1 0 369.465 3.572 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC000610298348 929735713 /nfs/dbraw/zinc/73/57/13/929735713.db2.gz VHIIWKBXUWMHNK-FQEVSTJZSA-N 1 0 372.472 3.511 20 30 FHEDRO COc1ccc(C[NH+](C)C)cc1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000560548445 929882775 /nfs/dbraw/zinc/88/27/75/929882775.db2.gz IGDAMMYYAVAWRY-UHFFFAOYSA-N 1 0 364.493 3.709 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H](c1ccccc1)N(C)C ZINC000560549757 929884924 /nfs/dbraw/zinc/88/49/24/929884924.db2.gz YWOURHJBJJGALY-WZONZLPQSA-N 1 0 362.521 3.808 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C(C)C)C[C@H]1C ZINC000579197658 930001286 /nfs/dbraw/zinc/00/12/86/930001286.db2.gz MEXXHHLHKKGACU-APWZRJJASA-N 1 0 366.513 3.707 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000610338053 930024096 /nfs/dbraw/zinc/02/40/96/930024096.db2.gz UFOPLHQJLUOKRU-BZUAXINKSA-N 1 0 364.449 3.945 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610346004 930046618 /nfs/dbraw/zinc/04/66/18/930046618.db2.gz HDOJYDCRWINMQL-JKSUJKDBSA-N 1 0 364.449 3.563 20 30 FHEDRO C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(C#N)c1 ZINC000610347791 930057185 /nfs/dbraw/zinc/05/71/85/930057185.db2.gz XXNBGAJTWZGRMY-KRWDZBQOSA-N 1 0 362.477 3.714 20 30 FHEDRO C[C@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000610348997 930065031 /nfs/dbraw/zinc/06/50/31/930065031.db2.gz NHOMMVWTAROQTL-BBWFWOEESA-N 1 0 356.514 3.675 20 30 FHEDRO C[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000610349000 930065126 /nfs/dbraw/zinc/06/51/26/930065126.db2.gz NHOMMVWTAROQTL-ZACQAIPSSA-N 1 0 356.514 3.675 20 30 FHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000580038585 930095921 /nfs/dbraw/zinc/09/59/21/930095921.db2.gz AKUHRKTURPSSIZ-UIFIKXQLSA-N 1 0 371.525 3.594 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1OC ZINC000123765179 930120256 /nfs/dbraw/zinc/12/02/56/930120256.db2.gz LDVOGXLFQGXTDU-YOEHRIQHSA-N 1 0 359.388 3.538 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2C3CCCC2CCC3)cc1 ZINC000610370113 930170087 /nfs/dbraw/zinc/17/00/87/930170087.db2.gz HZANGUFCQHRXKB-UHFFFAOYSA-N 1 0 355.482 3.739 20 30 FHEDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)o1 ZINC000610372058 930178828 /nfs/dbraw/zinc/17/88/28/930178828.db2.gz XENBZRZMPQWTKP-SCWSEQNSSA-N 1 0 368.477 3.867 20 30 FHEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083225006 930183118 /nfs/dbraw/zinc/18/31/18/930183118.db2.gz XOEBWHPSNHQGCD-RPVQJOFSSA-N 1 0 369.465 3.742 20 30 FHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000580153780 930311400 /nfs/dbraw/zinc/31/14/00/930311400.db2.gz VIFLLZWSOHYKNK-QFIPXVFZSA-N 1 0 372.472 3.838 20 30 FHEDRO C=C(Br)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160433985 930382944 /nfs/dbraw/zinc/38/29/44/930382944.db2.gz BHXDSSZVLWFXJZ-PBWFPOADSA-N 1 0 359.308 3.757 20 30 FHEDRO CCCCCCCC[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC001167371887 930410250 /nfs/dbraw/zinc/41/02/50/930410250.db2.gz KHSSYMMKJCTOGA-OAQYLSRUSA-N 1 0 357.542 3.770 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000255374563 930488512 /nfs/dbraw/zinc/48/85/12/930488512.db2.gz RXEVOKBPONLYIM-PLNGDYQASA-N 1 0 365.452 3.691 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610424053 930501368 /nfs/dbraw/zinc/50/13/68/930501368.db2.gz VUNKHBXUVWTIAG-HUUCEWRRSA-N 1 0 350.422 3.557 20 30 FHEDRO C=CCCCCCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000517757349 930510424 /nfs/dbraw/zinc/51/04/24/930510424.db2.gz PDKLJCAGTGQDIB-KRWDZBQOSA-N 1 0 371.525 3.848 20 30 FHEDRO C=CC[N@H+](CC1CCCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC001167391328 930614964 /nfs/dbraw/zinc/61/49/64/930614964.db2.gz HREMIVWMTHUVPH-GHTZIAJQSA-N 1 0 366.546 3.815 20 30 FHEDRO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328729460 930663119 /nfs/dbraw/zinc/66/31/19/930663119.db2.gz HIZZDRBDPZFGIF-PTGCCPEKSA-N 1 0 364.555 3.897 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000125733248 930735585 /nfs/dbraw/zinc/73/55/85/930735585.db2.gz ADGDBVHZYFXTFU-OAHLLOKOSA-N 1 0 360.379 3.524 20 30 FHEDRO N#Cc1cc(Cl)cc(Br)c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000561141854 930776776 /nfs/dbraw/zinc/77/67/76/930776776.db2.gz RRBAUJJFHOPGSC-SNVBAGLBSA-N 1 0 354.679 3.870 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)CC2 ZINC000579768140 930980034 /nfs/dbraw/zinc/98/00/34/930980034.db2.gz FKVVFKVSSIMUIX-SFHVURJKSA-N 1 0 351.416 3.800 20 30 FHEDRO FC(F)Oc1ccc(C[NH2+]CCOC(F)(F)F)c(OC(F)F)c1 ZINC000398161675 930995965 /nfs/dbraw/zinc/99/59/65/930995965.db2.gz ZZXIHVAPLHFGNW-UHFFFAOYSA-N 1 0 351.218 3.515 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000580760515 931117907 /nfs/dbraw/zinc/11/79/07/931117907.db2.gz CUYLHZNKOYPDOG-LMDOGRNLSA-N 1 0 373.500 3.831 20 30 FHEDRO Cc1nsc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1C#N ZINC000561196898 931233749 /nfs/dbraw/zinc/23/37/49/931233749.db2.gz XCKSQTNVTFASPR-CQSZACIVSA-N 1 0 356.495 3.635 20 30 FHEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@H]1C ZINC001104320818 931282112 /nfs/dbraw/zinc/28/21/12/931282112.db2.gz GGJXDSBTRBWTDO-HLLBOEOZSA-N 1 0 371.481 3.576 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(C#N)s3)C2)c1 ZINC000135080986 931368262 /nfs/dbraw/zinc/36/82/62/931368262.db2.gz IQOGMZORNRHPMJ-HUUCEWRRSA-N 1 0 371.506 3.814 20 30 FHEDRO C[NH+](C)CCc1ccc(CNc2nc3cc(Cl)ccn3c2C#N)cc1 ZINC000561305182 931527529 /nfs/dbraw/zinc/52/75/29/931527529.db2.gz URAKBDNBUOEUIK-UHFFFAOYSA-N 1 0 353.857 3.576 20 30 FHEDRO Cc1nc(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)sc1C ZINC000160758290 931544478 /nfs/dbraw/zinc/54/44/78/931544478.db2.gz NSHZOALGHLJYIG-UHFFFAOYSA-N 1 0 358.389 3.628 20 30 FHEDRO COCCC1(c2nc(-c3ccc(C(C)(C)C)cc3C#N)no2)CC[NH2+]CC1 ZINC001211509535 931620031 /nfs/dbraw/zinc/62/00/31/931620031.db2.gz YVIRETRBYASTAT-UHFFFAOYSA-N 1 0 368.481 3.563 20 30 FHEDRO N#CCc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000042384078 931636043 /nfs/dbraw/zinc/63/60/43/931636043.db2.gz ICAZZLMNLBNGRI-HXUWFJFHSA-N 1 0 367.880 3.973 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)CC2 ZINC000581221774 931699454 /nfs/dbraw/zinc/69/94/54/931699454.db2.gz ZRFMMWVQANZPBE-KRWDZBQOSA-N 1 0 370.250 3.536 20 30 FHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1)c1ccccc1 ZINC000933125302 931755769 /nfs/dbraw/zinc/75/57/69/931755769.db2.gz KIOYDEKZWJVNIJ-GHTZIAJQSA-N 1 0 367.518 3.757 20 30 FHEDRO O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328795415 932120581 /nfs/dbraw/zinc/12/05/81/932120581.db2.gz TZLKCGAKIDGGFB-QGZVFWFLSA-N 1 0 358.486 3.509 20 30 FHEDRO Cn1cc(C[NH2+]CCc2cn(C)c3ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC001203155972 932205843 /nfs/dbraw/zinc/20/58/43/932205843.db2.gz NRRISWFMMAFDRC-UHFFFAOYSA-N 1 0 369.472 3.783 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]CC2CCC(F)(F)CC2)c(OC)c1 ZINC000581603796 932304228 /nfs/dbraw/zinc/30/42/28/932304228.db2.gz VUWVDTYZRUZTCP-KRWDZBQOSA-N 1 0 369.452 3.579 20 30 FHEDRO O=c1[nH]c2ccccc2cc1C=NCC1([NH+]2CCSCC2)CCCC1 ZINC000255329416 932340740 /nfs/dbraw/zinc/34/07/40/932340740.db2.gz OTOZMJMVHLQMHA-STZFKDTASA-N 1 0 355.507 3.721 20 30 FHEDRO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1nc(C#N)cs1 ZINC000581636570 932363913 /nfs/dbraw/zinc/36/39/13/932363913.db2.gz FMPTXGUVGSBOJA-LBPRGKRZSA-N 1 0 350.285 3.888 20 30 FHEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000477188118 932380360 /nfs/dbraw/zinc/38/03/60/932380360.db2.gz MWURXEJNWRBDDQ-FGZHOGPDSA-N 1 0 361.489 3.833 20 30 FHEDRO Cc1nc(-c2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)oc1C ZINC000610540643 932724536 /nfs/dbraw/zinc/72/45/36/932724536.db2.gz RPXOLDOSCHYFNA-UHFFFAOYSA-N 1 0 369.469 3.658 20 30 FHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000055905839 932739044 /nfs/dbraw/zinc/73/90/44/932739044.db2.gz RINXIPUPEGEEDU-UHFFFAOYSA-N 1 0 354.450 3.721 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000548299230 932887558 /nfs/dbraw/zinc/88/75/58/932887558.db2.gz SVXUKMGIYVPRGS-UHFFFAOYSA-N 1 0 355.869 3.983 20 30 FHEDRO N#Cc1c[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c1 ZINC000175976147 932947639 /nfs/dbraw/zinc/94/76/39/932947639.db2.gz NMFIUIVVMOMWBM-UHFFFAOYSA-N 1 0 362.477 3.547 20 30 FHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000175984659 933015047 /nfs/dbraw/zinc/01/50/47/933015047.db2.gz XDDUUWROLHLIOA-UHFFFAOYSA-N 1 0 374.382 3.825 20 30 FHEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000328876155 933078298 /nfs/dbraw/zinc/07/82/98/933078298.db2.gz GFZUVHLDLMJRIB-KRWDZBQOSA-N 1 0 363.546 3.636 20 30 FHEDRO COc1cccc(CN(C)CC(=O)N(CCC#N)c2cccc(C)c2C)c1 ZINC000051325020 933086892 /nfs/dbraw/zinc/08/68/92/933086892.db2.gz QVDVKNPVSOCGEE-UHFFFAOYSA-N 1 0 365.477 3.691 20 30 FHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c(F)cc(C#N)cc1F)[NH+](C)C ZINC000510551248 933216673 /nfs/dbraw/zinc/21/66/73/933216673.db2.gz ORQGMUMHXVNOJA-ORAYPTAESA-N 1 0 357.404 3.566 20 30 FHEDRO C[N@H+](CCCOc1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1 ZINC000380419046 933500955 /nfs/dbraw/zinc/50/09/55/933500955.db2.gz HGQBCMVGDUXIGM-UHFFFAOYSA-N 1 0 363.505 3.924 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccnc1Oc1ccccc1 ZINC000610663590 933688724 /nfs/dbraw/zinc/68/87/24/933688724.db2.gz QDOSXFNNECUDBY-UHFFFAOYSA-N 1 0 367.453 3.573 20 30 FHEDRO N#Cc1ccc(CN2CCC[N@H+](CCN3CCCc4ccccc43)CC2)cc1 ZINC000610701686 933820282 /nfs/dbraw/zinc/82/02/82/933820282.db2.gz HSHCWYZIPINDHV-UHFFFAOYSA-N 1 0 374.532 3.519 20 30 FHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000471927181 933834952 /nfs/dbraw/zinc/83/49/52/933834952.db2.gz ADJCPGXNMZEEGK-QZTJIDSGSA-N 1 0 354.841 3.779 20 30 FHEDRO COc1ccccc1C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)C(C)C ZINC000178398513 933870637 /nfs/dbraw/zinc/87/06/37/933870637.db2.gz LWSJSEQXGNZOJR-UZLBHIALSA-N 1 0 365.477 3.751 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000510856878 933874078 /nfs/dbraw/zinc/87/40/78/933874078.db2.gz LSVDARLIYGVCAO-UHFFFAOYSA-N 1 0 358.486 3.543 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)NCC#Cc2cccc(F)c2)cc1 ZINC000510862816 933885081 /nfs/dbraw/zinc/88/50/81/933885081.db2.gz BIKCKFQOKCCFGE-UHFFFAOYSA-N 1 0 367.468 3.518 20 30 FHEDRO C[C@](CO)([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000610719809 933959099 /nfs/dbraw/zinc/95/90/99/933959099.db2.gz HHMMEFQPQZSFHH-QGZVFWFLSA-N 1 0 352.331 3.713 20 30 FHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000610722193 933963316 /nfs/dbraw/zinc/96/33/16/933963316.db2.gz YLOQDWPPJOEZAA-FQEVSTJZSA-N 1 0 356.514 3.600 20 30 FHEDRO CC[NH+](CC)[C@H](C(=O)NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000431164203 933978548 /nfs/dbraw/zinc/97/85/48/933978548.db2.gz UCDISHSVTPEGLE-INIZCTEOSA-N 1 0 367.415 3.898 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+](C)Cc2ccc(OC)c(O)c2)ccc1OC ZINC000092405331 934043132 /nfs/dbraw/zinc/04/31/32/934043132.db2.gz NHVUWOSNIVJMEH-UHFFFAOYSA-N 1 0 357.450 3.996 20 30 FHEDRO C=CCc1cc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)cc(OC)c1O ZINC000092567748 934089697 /nfs/dbraw/zinc/08/96/97/934089697.db2.gz MRUPGZVAGPYPBY-UHFFFAOYSA-N 1 0 366.461 3.650 20 30 FHEDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000187665081 934133098 /nfs/dbraw/zinc/13/30/98/934133098.db2.gz KNNUERRVBXZNMI-OAHLLOKOSA-N 1 0 353.491 3.884 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000187666367 934133972 /nfs/dbraw/zinc/13/39/72/934133972.db2.gz HLZRNKQTOMIRGV-OAHLLOKOSA-N 1 0 359.433 3.944 20 30 FHEDRO COc1ccc(C2([NH2+]CCCOc3cccc(C#N)c3)CCOCC2)cc1 ZINC000610787255 934190970 /nfs/dbraw/zinc/19/09/70/934190970.db2.gz BLQIWQJEDXRUPT-UHFFFAOYSA-N 1 0 366.461 3.631 20 30 FHEDRO C=CCc1cc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc(OC)c1O ZINC000180888488 934199997 /nfs/dbraw/zinc/19/99/97/934199997.db2.gz SYLUMEIMNYJTJR-UHFFFAOYSA-N 1 0 356.466 3.991 20 30 FHEDRO COc1ccc([C@@H](C/N=C/c2cc(OC)ccc2O)[NH+]2CCCC2)cc1 ZINC000022768428 934363037 /nfs/dbraw/zinc/36/30/37/934363037.db2.gz DXHXRDUGPFXIRD-YRXLECQKSA-N 1 0 354.450 3.665 20 30 FHEDRO N#Cc1ccc2ncc(C[NH+]3CCC(CCc4ccc(O)cc4)CC3)n2c1 ZINC000535783141 934373064 /nfs/dbraw/zinc/37/30/64/934373064.db2.gz RVIMCTZSIDWHHB-UHFFFAOYSA-N 1 0 360.461 3.756 20 30 FHEDRO Cc1cc(C)cc(C2=CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000535793444 934385879 /nfs/dbraw/zinc/38/58/79/934385879.db2.gz ZRAYNPCBFSFODL-XMSQKQJNSA-N 1 0 353.510 3.836 20 30 FHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccnc4ccccc34)CC2)c1 ZINC000535817118 934441165 /nfs/dbraw/zinc/44/11/65/934441165.db2.gz SCRMZGUBLRZCCQ-UHFFFAOYSA-N 1 0 370.456 3.957 20 30 FHEDRO N#CCN1CCC([NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000610813623 934475079 /nfs/dbraw/zinc/47/50/79/934475079.db2.gz MYNWBQGLVKEPOU-HNNXBMFYSA-N 1 0 366.328 3.564 20 30 FHEDRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]C1CCN(CC#N)CC1 ZINC000610813440 934482079 /nfs/dbraw/zinc/48/20/79/934482079.db2.gz HFJKKNJHMMHHIL-QGZVFWFLSA-N 1 0 364.331 3.738 20 30 FHEDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610830432 934502632 /nfs/dbraw/zinc/50/26/32/934502632.db2.gz STWMUEQTQRCBCG-CABCVRRESA-N 1 0 357.479 3.732 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1cccc(C#N)c1 ZINC000610829846 934502672 /nfs/dbraw/zinc/50/26/72/934502672.db2.gz OKBYOOYDMLTKKK-CVEARBPZSA-N 1 0 369.490 3.510 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000151249274 934762936 /nfs/dbraw/zinc/76/29/36/934762936.db2.gz UEMHRDSFIBHWDD-KRWDZBQOSA-N 1 0 370.884 3.786 20 30 FHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187698565 934809802 /nfs/dbraw/zinc/80/98/02/934809802.db2.gz UZOBWHPSAYHREF-NRFANRHFSA-N 1 0 373.500 3.570 20 30 FHEDRO COc1ccc(CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C#N ZINC000119479637 934828736 /nfs/dbraw/zinc/82/87/36/934828736.db2.gz VCHDOTCVJKYWGV-IAGOWNOFSA-N 1 0 365.477 3.788 20 30 FHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cncs1 ZINC000934196768 934979955 /nfs/dbraw/zinc/97/99/55/934979955.db2.gz DLNUSLGNGBCVJV-NWDGAFQWSA-N 1 0 374.535 3.880 20 30 FHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCCO[C@H](C)c2ccccc2)c1 ZINC000104157781 935003906 /nfs/dbraw/zinc/00/39/06/935003906.db2.gz PPCDEWQBFJGKNQ-OAHLLOKOSA-N 1 0 357.454 3.598 20 30 FHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000104167909 935004068 /nfs/dbraw/zinc/00/40/68/935004068.db2.gz IJPPVNWUSNVBCH-IBGZPJMESA-N 1 0 358.461 3.642 20 30 FHEDRO CCCOc1ncccc1CNC(=[NH2+])Nc1cc(OCC)ccc1OCC ZINC000104180436 935004733 /nfs/dbraw/zinc/00/47/33/935004733.db2.gz CWLXWEGCYJUTQA-UHFFFAOYSA-N 1 0 372.469 3.595 20 30 FHEDRO C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548612913 935007768 /nfs/dbraw/zinc/00/77/68/935007768.db2.gz BGAISKFICLKFGW-HNAYVOBHSA-N 1 0 367.880 3.852 20 30 FHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000539071383 935008543 /nfs/dbraw/zinc/00/85/43/935008543.db2.gz SOAWWSKCWQAHKC-OAHLLOKOSA-N 1 0 354.475 3.913 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000425733192 945071821 /nfs/dbraw/zinc/07/18/21/945071821.db2.gz ASOPYGXRKATDJW-QGZVFWFLSA-N 1 0 364.493 3.565 20 30 FHEDRO CC(C)[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000539244537 935100115 /nfs/dbraw/zinc/10/01/15/935100115.db2.gz VKTVKULAKNGGDD-OAQYLSRUSA-N 1 0 352.434 3.695 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn([C@H](C)CC)c2C2CC2)CC1 ZINC000536511418 935124023 /nfs/dbraw/zinc/12/40/23/935124023.db2.gz QHSKSDISMFLRDI-OAHLLOKOSA-N 1 0 359.518 3.894 20 30 FHEDRO C[NH+](C)CCN(Cc1ccsc1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000413441889 935158104 /nfs/dbraw/zinc/15/81/04/935158104.db2.gz DBRMDHUKBRONIX-UHFFFAOYSA-N 1 0 354.401 3.602 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000051423034 935221229 /nfs/dbraw/zinc/22/12/29/935221229.db2.gz RRFPEUILWUSTBX-VXKWHMMOSA-N 1 0 364.489 3.590 20 30 FHEDRO COCC[N@H+](C)CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000539497296 935224769 /nfs/dbraw/zinc/22/47/69/935224769.db2.gz UVAJIFTXSRQQAJ-AVRDEDQJSA-N 1 0 351.494 3.918 20 30 FHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000072040973 935244199 /nfs/dbraw/zinc/24/41/99/935244199.db2.gz AYEQKTCCZCJSDR-UHFFFAOYSA-N 1 0 350.466 3.934 20 30 FHEDRO C=CCCn1cc(C[NH2+]CC(C)(C)c2cccc(Br)c2)nn1 ZINC000657341223 935278358 /nfs/dbraw/zinc/27/83/58/935278358.db2.gz PPVQBWPRQLVKDQ-UHFFFAOYSA-N 1 0 363.303 3.684 20 30 FHEDRO C=CCn1c(CCCC)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000582150384 935345184 /nfs/dbraw/zinc/34/51/84/935345184.db2.gz YFPYUJPPSZVFBV-UHFFFAOYSA-N 1 0 367.541 3.908 20 30 FHEDRO CC(C)[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000507272121 945097566 /nfs/dbraw/zinc/09/75/66/945097566.db2.gz JXJITDFHDWSUEW-RBUKOAKNSA-N 1 0 355.869 3.767 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000178546659 935391394 /nfs/dbraw/zinc/39/13/94/935391394.db2.gz WGWGDYMAYDTPMR-UHFFFAOYSA-N 1 0 354.429 3.602 20 30 FHEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000118394287 935401129 /nfs/dbraw/zinc/40/11/29/935401129.db2.gz KKNLQVSPWPBBAT-INIZCTEOSA-N 1 0 354.498 3.716 20 30 FHEDRO CCOc1cccc(/C=N/C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1O ZINC000158273889 935478459 /nfs/dbraw/zinc/47/84/59/935478459.db2.gz SERMACGJACKDLG-LGVXEURYSA-N 1 0 353.466 3.830 20 30 FHEDRO Cc1ccc2c(ncc(C#N)c2N2CCC([C@H](C)[NH3+])CC2)c1Br ZINC000582291461 935496356 /nfs/dbraw/zinc/49/63/56/935496356.db2.gz AMOBFURUZXOQGL-LBPRGKRZSA-N 1 0 373.298 3.741 20 30 FHEDRO COc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc1C#N ZINC000135044034 935588143 /nfs/dbraw/zinc/58/81/43/935588143.db2.gz ZPCXTXSXGWSLDI-UHFFFAOYSA-N 1 0 374.444 3.996 20 30 FHEDRO N#CC1(C[C@H](O)C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)CCC1 ZINC000934418028 935608648 /nfs/dbraw/zinc/60/86/48/935608648.db2.gz PANKZGHJNJUBMP-INIZCTEOSA-N 1 0 360.885 3.680 20 30 FHEDRO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000277576969 935629771 /nfs/dbraw/zinc/62/97/71/935629771.db2.gz BXRRBEDAIIVCSV-UHFFFAOYSA-N 1 0 361.555 3.839 20 30 FHEDRO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000562059563 935755088 /nfs/dbraw/zinc/75/50/88/935755088.db2.gz WUTLSLILOPSBPY-QKKBWIMNSA-N 1 0 351.425 3.778 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000582472816 935758522 /nfs/dbraw/zinc/75/85/22/935758522.db2.gz CROKGJJEIILVIJ-HAFPXEGZSA-N 1 0 359.473 3.613 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000582474183 935760929 /nfs/dbraw/zinc/76/09/29/935760929.db2.gz AOMOPAYBIYIIJH-HDICACEKSA-N 1 0 362.433 3.709 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)c1cccs1 ZINC000158964076 935776833 /nfs/dbraw/zinc/77/68/33/935776833.db2.gz MXSNQVSNCKJOBW-IAGOWNOFSA-N 1 0 356.495 3.695 20 30 FHEDRO N#C[C@]1(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC12CCCC2 ZINC000294614581 945123428 /nfs/dbraw/zinc/12/34/28/945123428.db2.gz DSZJBGLNAHBOSV-NRFANRHFSA-N 1 0 369.534 3.690 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c(C(F)(F)F)c1 ZINC000562068862 935788986 /nfs/dbraw/zinc/78/89/86/935788986.db2.gz QEWGNTQJHAYZFY-UHFFFAOYSA-N 1 0 373.378 3.759 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000609401990 935816633 /nfs/dbraw/zinc/81/66/33/935816633.db2.gz QNKMJKFYHOGEKW-JKSUJKDBSA-N 1 0 360.527 3.934 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@H]2C)c1C#N ZINC000472231094 935824124 /nfs/dbraw/zinc/82/41/24/935824124.db2.gz FKMVTNARQLRDHG-LSDHHAIUSA-N 1 0 368.481 3.677 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C#N)c1ccccc1 ZINC000516663989 945127151 /nfs/dbraw/zinc/12/71/51/945127151.db2.gz ITHIGLPZELBPFI-GOSISDBHSA-N 1 0 367.522 3.849 20 30 FHEDRO COc1cc(C[NH+]2CCC(CC#N)CC2)ccc1OCc1ccncc1 ZINC000611622776 935836508 /nfs/dbraw/zinc/83/65/08/935836508.db2.gz GANLBIZAUJOGBJ-UHFFFAOYSA-N 1 0 351.450 3.795 20 30 FHEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000375717317 935838257 /nfs/dbraw/zinc/83/82/57/935838257.db2.gz DTWKBJIGDKSVBB-DUXKGJEZSA-N 1 0 356.510 3.700 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439962374 945127707 /nfs/dbraw/zinc/12/77/07/945127707.db2.gz PZIQIPZTAAHCRM-UHFFFAOYSA-N 1 0 361.248 3.832 20 30 FHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)sc2C1 ZINC000519105664 945128941 /nfs/dbraw/zinc/12/89/41/945128941.db2.gz OYRYUCXMSIWZCY-LGWLGOQQSA-N 1 0 357.523 3.851 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000582601393 935863249 /nfs/dbraw/zinc/86/32/49/935863249.db2.gz IYEAMCOURCYFDH-XPNTWCBSSA-N 1 0 364.489 3.666 20 30 FHEDRO CC[NH+](CC)CCn1c(NC(=O)c2sccc2C#N)nc2ccccc21 ZINC000127987061 935876872 /nfs/dbraw/zinc/87/68/72/935876872.db2.gz AJFWEVNNSCHEBC-UHFFFAOYSA-N 1 0 367.478 3.564 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)nn1 ZINC000657498113 935877422 /nfs/dbraw/zinc/87/74/22/935877422.db2.gz NTSZSBVJZSSJSW-AWEZNQCLSA-N 1 0 355.873 3.636 20 30 FHEDRO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+](C)C[C@@H](C)C#N ZINC000611661627 935883734 /nfs/dbraw/zinc/88/37/34/935883734.db2.gz PPDFIFHWRQKOLE-LBPRGKRZSA-N 1 0 366.303 3.876 20 30 FHEDRO COc1cc(C[NH2+]Cc2cccc(OCc3ccccn3)c2)ccc1C#N ZINC000582635299 935897268 /nfs/dbraw/zinc/89/72/68/935897268.db2.gz VIZYASGNMYHKQO-UHFFFAOYSA-N 1 0 359.429 3.831 20 30 FHEDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000582638291 935898722 /nfs/dbraw/zinc/89/87/22/935898722.db2.gz XVPQPJSEBWRVBH-OAHLLOKOSA-N 1 0 352.356 3.907 20 30 FHEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccc3oc(=O)[nH]c32)C[C@H]1C ZINC001104423782 935928308 /nfs/dbraw/zinc/92/83/08/935928308.db2.gz ZYFAUAUGHBADDH-OWCLPIDISA-N 1 0 371.481 3.576 20 30 FHEDRO CCC1(c2ccc(Cl)cc2)CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000548754444 935966432 /nfs/dbraw/zinc/96/64/32/935966432.db2.gz LORDCVVGRMIQLF-UHFFFAOYSA-N 1 0 359.901 3.646 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]CCOc2ccc3c(c2)OCO3)ccc1OC ZINC000060948917 935974059 /nfs/dbraw/zinc/97/40/59/935974059.db2.gz XBABTELHQQGADK-UHFFFAOYSA-N 1 0 371.433 3.547 20 30 FHEDRO CC(C)OCC[NH+]1CCC(Nc2cccc(Br)c2C#N)CC1 ZINC000439974310 945138332 /nfs/dbraw/zinc/13/83/32/945138332.db2.gz VXGIUFYNJODUCY-UHFFFAOYSA-N 1 0 366.303 3.622 20 30 FHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000074805416 935997252 /nfs/dbraw/zinc/99/72/52/935997252.db2.gz UWIMJZCOZQNWLL-UHFFFAOYSA-N 1 0 354.841 3.770 20 30 FHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000427151940 945139693 /nfs/dbraw/zinc/13/96/93/945139693.db2.gz YBDYLJZXUGIZCT-UHFFFAOYSA-N 1 0 357.473 3.670 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1Cl ZINC000657574654 936044827 /nfs/dbraw/zinc/04/48/27/936044827.db2.gz KJYOQRUOCJDIEG-KRWDZBQOSA-N 1 0 356.853 3.582 20 30 FHEDRO C=C(C)COc1cc(CNCc2c(OC)cccc2OC)ccc1OC ZINC000657586474 936060393 /nfs/dbraw/zinc/06/03/93/936060393.db2.gz WHZSYNWTISABKH-UHFFFAOYSA-N 1 0 357.450 3.957 20 30 FHEDRO C#CCOc1ccc(C[NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000237497198 936077559 /nfs/dbraw/zinc/07/75/59/936077559.db2.gz YSZMZCYYTQIDCX-HSZRJFAPSA-N 1 0 364.489 3.634 20 30 FHEDRO C#CCOc1ccc(CN2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)cc1 ZINC001279594984 936095463 /nfs/dbraw/zinc/09/54/63/936095463.db2.gz HAXFYMPZSFYYTA-UHFFFAOYSA-N 1 0 366.427 3.549 20 30 FHEDRO C[C@H]1[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000582805938 936141852 /nfs/dbraw/zinc/14/18/52/936141852.db2.gz UYBAWTNYIVRORO-LAUBAEHRSA-N 1 0 359.473 3.635 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](C)[C@H](C)C2)c1C#N ZINC000472264221 936155937 /nfs/dbraw/zinc/15/59/37/936155937.db2.gz WFFMFZVCXZSTEU-GASCZTMLSA-N 1 0 368.481 3.534 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000582835861 936196210 /nfs/dbraw/zinc/19/62/10/936196210.db2.gz SQXFAXTWQPBJOY-PZJWPPBQSA-N 1 0 366.509 3.596 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H](C)C(C)(C)C)c1C#N ZINC000572885493 936275567 /nfs/dbraw/zinc/27/55/67/936275567.db2.gz CTABQYYBXHEQIB-MRXNPFEDSA-N 1 0 370.497 3.971 20 30 FHEDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000161669591 936283274 /nfs/dbraw/zinc/28/32/74/936283274.db2.gz BDICCKHIVIBZLK-UHFFFAOYSA-N 1 0 350.466 3.771 20 30 FHEDRO N#Cc1ccc(Oc2ccc(-c3nc(C4([NH3+])CCCCC4)no3)cc2)nc1 ZINC000583435269 938254053 /nfs/dbraw/zinc/25/40/53/938254053.db2.gz HUKPFNLXUYYYAL-UHFFFAOYSA-N 1 0 361.405 3.914 20 30 FHEDRO Cc1cc[n+](C(C(=O)c2nccs2)C(=S)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000278268415 938265417 /nfs/dbraw/zinc/26/54/17/938265417.db2.gz OMVHSNUDMRLGNG-LSDHHAIUSA-O 1 0 374.555 3.846 20 30 FHEDRO CC(C)(C)OC(=O)C1CCC(NC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000262324195 938273882 /nfs/dbraw/zinc/27/38/82/938273882.db2.gz WQOALJSWFOCZGT-UHFFFAOYSA-N 1 0 353.413 3.592 20 30 FHEDRO CC(C)[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000329211267 938288445 /nfs/dbraw/zinc/28/84/45/938288445.db2.gz GXVWKWGHHZLQMT-HBUWYVDXSA-N 1 0 374.485 3.801 20 30 FHEDRO C=C[C@H](CC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)c1ccccc1 ZINC000245643301 938309371 /nfs/dbraw/zinc/30/93/71/938309371.db2.gz KZWGRFUPCZBPHF-QKNQBKEWSA-N 1 0 358.526 3.600 20 30 FHEDRO Cc1nc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)sc1SCC#N ZINC000583600088 938316177 /nfs/dbraw/zinc/31/61/77/938316177.db2.gz LRBBQURODUALAB-AWEZNQCLSA-N 1 0 364.540 3.803 20 30 FHEDRO Cc1ccc[n+](C(C(=O)c2nccs2)C(=S)NC2CCCCC2)c1 ZINC000278351951 938330098 /nfs/dbraw/zinc/33/00/98/938330098.db2.gz XFWOEMNVTLTPEP-UHFFFAOYSA-O 1 0 360.528 3.600 20 30 FHEDRO C=CCOc1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000507353994 945166335 /nfs/dbraw/zinc/16/63/35/945166335.db2.gz CFSLNLUVZQPKIR-OAQYLSRUSA-N 1 0 357.425 3.973 20 30 FHEDRO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329332551 938353394 /nfs/dbraw/zinc/35/33/94/938353394.db2.gz MWHMTTCGFVGHPI-MGPUTAFESA-N 1 0 357.498 3.809 20 30 FHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000583721107 938377922 /nfs/dbraw/zinc/37/79/22/938377922.db2.gz MCBUDOOLFLWXQQ-GFCCVEGCSA-N 1 0 367.291 3.563 20 30 FHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458656851 938383715 /nfs/dbraw/zinc/38/37/15/938383715.db2.gz NAPLOJLUIBIRIH-AZUAARDMSA-N 1 0 356.514 3.985 20 30 FHEDRO C[C@H](CCNC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000458678986 938412581 /nfs/dbraw/zinc/41/25/81/938412581.db2.gz VRJWCWFDFDYLCB-QUCCMNQESA-N 1 0 356.514 3.985 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)c(F)c1 ZINC000458685197 938424631 /nfs/dbraw/zinc/42/46/31/938424631.db2.gz WBCQXEAIWRDEPU-UYAOXDASSA-N 1 0 363.452 3.709 20 30 FHEDRO Cc1cn2cc(NC(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccc2n1 ZINC000329465183 938430286 /nfs/dbraw/zinc/43/02/86/938430286.db2.gz UZPPSNZJTCTVGN-GOSISDBHSA-N 1 0 369.513 3.632 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccccc2)cc1 ZINC000507378257 945175096 /nfs/dbraw/zinc/17/50/96/945175096.db2.gz KESXNAXQQVSGRE-UHFFFAOYSA-N 1 0 365.477 3.857 20 30 FHEDRO CSCCNC(=S)C(C(=O)c1ccc(C)s1)[n+]1cccc(C)c1 ZINC000131262095 938459714 /nfs/dbraw/zinc/45/97/14/938459714.db2.gz YBNWRRPGCBWWPY-UHFFFAOYSA-O 1 0 365.569 3.544 20 30 FHEDRO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000247394215 938464484 /nfs/dbraw/zinc/46/44/84/938464484.db2.gz MEGPKFVSVQAXGU-XLIONFOSSA-N 1 0 368.502 3.573 20 30 FHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000247454667 938470153 /nfs/dbraw/zinc/47/01/53/938470153.db2.gz HSRJICNEEZRENN-PXNSSMCTSA-N 1 0 368.525 3.621 20 30 FHEDRO COC(=O)[C@H](C)CN(Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000507359861 945178621 /nfs/dbraw/zinc/17/86/21/945178621.db2.gz NSTTUTGDYWCWMU-QGZVFWFLSA-N 1 0 361.445 3.622 20 30 FHEDRO N#CCc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000536168235 938498992 /nfs/dbraw/zinc/49/89/92/938498992.db2.gz ZDWJTUAWCYMMNJ-HXUWFJFHSA-N 1 0 367.880 3.973 20 30 FHEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000583947964 938499046 /nfs/dbraw/zinc/49/90/46/938499046.db2.gz MXBBUHITSPUNNP-HNNXBMFYSA-N 1 0 350.397 3.613 20 30 FHEDRO CC(C)(CC#N)CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000458785762 938580569 /nfs/dbraw/zinc/58/05/69/938580569.db2.gz KSCMTVBUFSFWJQ-LJQANCHMSA-N 1 0 356.514 3.528 20 30 FHEDRO C#CC[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000158818636 938585632 /nfs/dbraw/zinc/58/56/32/938585632.db2.gz VXVSWYQBEHIVAF-OAQYLSRUSA-N 1 0 352.522 3.894 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000584088617 938591028 /nfs/dbraw/zinc/59/10/28/938591028.db2.gz XXIZHRYSZUHFCI-XLIONFOSSA-N 1 0 350.441 3.728 20 30 FHEDRO N#Cc1cc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)ccc1F ZINC000077499540 938613746 /nfs/dbraw/zinc/61/37/46/938613746.db2.gz ZYTSTSYPSQJEOS-UHFFFAOYSA-N 1 0 358.461 3.817 20 30 FHEDRO C[C@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807448 938614439 /nfs/dbraw/zinc/61/44/39/938614439.db2.gz ISZHXCGLELTMQT-IRXDYDNUSA-N 1 0 368.502 3.701 20 30 FHEDRO N#CCCC1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000584169297 938627289 /nfs/dbraw/zinc/62/72/89/938627289.db2.gz MGSQTQKIBKVVBG-UHFFFAOYSA-N 1 0 372.488 3.515 20 30 FHEDRO N#CCOc1ccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)cc1 ZINC000278674795 938642666 /nfs/dbraw/zinc/64/26/66/938642666.db2.gz INOHEEIHRJWDCD-UHFFFAOYSA-N 1 0 356.853 3.726 20 30 FHEDRO Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000584215843 938645395 /nfs/dbraw/zinc/64/53/95/938645395.db2.gz ZEVYRWSSXZIYMT-SFHVURJKSA-N 1 0 354.498 3.987 20 30 FHEDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000278701861 938669474 /nfs/dbraw/zinc/66/94/74/938669474.db2.gz QVTGHEYZZCYFCG-OALUTQOASA-N 1 0 367.497 3.540 20 30 FHEDRO COc1ccc([C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)N2CCCC2)cc1 ZINC000584321440 938685233 /nfs/dbraw/zinc/68/52/33/938685233.db2.gz VHSZTNCESFXLTM-PKTZIBPZSA-N 1 0 361.489 3.981 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000584350785 938696080 /nfs/dbraw/zinc/69/60/80/938696080.db2.gz CMPRILVLNOSQBB-HUUCEWRRSA-N 1 0 352.438 3.906 20 30 FHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187786136 938779451 /nfs/dbraw/zinc/77/94/51/938779451.db2.gz QTZZJHQOVALAFS-OXJNMPFZSA-N 1 0 365.395 3.888 20 30 FHEDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278752798 938799433 /nfs/dbraw/zinc/79/94/33/938799433.db2.gz WMZZVSUQPPXDQF-QZTJIDSGSA-N 1 0 355.511 3.623 20 30 FHEDRO Cc1cccc2c(CCNC(=O)N3CCC([NH+]4CCCCC4)CC3)c[nH]c21 ZINC000329793631 938812986 /nfs/dbraw/zinc/81/29/86/938812986.db2.gz BGLXLGWFNQEVPY-UHFFFAOYSA-N 1 0 368.525 3.883 20 30 FHEDRO CC[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000278768111 938847273 /nfs/dbraw/zinc/84/72/73/938847273.db2.gz OZPDIOITRXTXKV-FQEVSTJZSA-N 1 0 353.441 3.775 20 30 FHEDRO C[N@@H+]1CC[C@@H](CNC(=O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000278768752 938851378 /nfs/dbraw/zinc/85/13/78/938851378.db2.gz OGVWMBJYFVOQQC-SUMWQHHRSA-N 1 0 351.853 3.528 20 30 FHEDRO [NH2+]=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)Nc1cccc(OC(F)(F)F)c1 ZINC000262412469 938967451 /nfs/dbraw/zinc/96/74/51/938967451.db2.gz XXJMVMAKGADENE-BRWVUGGUSA-N 1 0 361.367 3.898 20 30 FHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccc(CC#N)c1 ZINC000138921976 938976288 /nfs/dbraw/zinc/97/62/88/938976288.db2.gz FKWOCRIREYSVRP-UHFFFAOYSA-N 1 0 365.502 3.862 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611938641 938993439 /nfs/dbraw/zinc/99/34/39/938993439.db2.gz RZJXZEXYGVBNJZ-UONOGXRCSA-N 1 0 368.506 3.961 20 30 FHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCc3nc(C#N)ccc32)cc1 ZINC000892404657 938998714 /nfs/dbraw/zinc/99/87/14/938998714.db2.gz FRJCDTDVEZYWFG-UHFFFAOYSA-N 1 0 362.477 3.778 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472355635 939020123 /nfs/dbraw/zinc/02/01/23/939020123.db2.gz YIZNSMYMRBNWQX-NLWGTHIKSA-N 1 0 353.510 3.671 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000176978675 939022822 /nfs/dbraw/zinc/02/28/22/939022822.db2.gz RWQJREVCMFRQPW-CYBMUJFWSA-N 1 0 363.433 3.980 20 30 FHEDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1F ZINC000507423419 945226841 /nfs/dbraw/zinc/22/68/41/945226841.db2.gz DAZRDWSRLVTUEU-PMACEKPBSA-N 1 0 351.425 3.934 20 30 FHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@](C)(C#N)C3)c2)CC1 ZINC000612121316 939104176 /nfs/dbraw/zinc/10/41/76/939104176.db2.gz BHYBZDPOOBEPKT-JOCHJYFZSA-N 1 0 368.525 3.754 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[NH+](C)C)cc1 ZINC000506026461 945232789 /nfs/dbraw/zinc/23/27/89/945232789.db2.gz KMJYWHXJVPOXIA-LJQANCHMSA-N 1 0 355.869 3.807 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(F)c1C#N ZINC000188353834 939210767 /nfs/dbraw/zinc/21/07/67/939210767.db2.gz HABJSQQKEJOWAD-SFHVURJKSA-N 1 0 365.452 3.682 20 30 FHEDRO Cc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc2cccnc12 ZINC000612182983 939214474 /nfs/dbraw/zinc/21/44/74/939214474.db2.gz IBHORVABIJHMBD-UHFFFAOYSA-N 1 0 357.461 3.569 20 30 FHEDRO Cc1csc(-c2cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c2)n1 ZINC000426578091 945260666 /nfs/dbraw/zinc/26/06/66/945260666.db2.gz RZWOEBRKUMVHJW-UHFFFAOYSA-N 1 0 371.510 3.818 20 30 FHEDRO CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000507494341 945265601 /nfs/dbraw/zinc/26/56/01/945265601.db2.gz JENNRRJOSZXRLX-QAPCUYQASA-N 1 0 352.457 3.974 20 30 FHEDRO N#Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)ccc1C(F)(F)F ZINC000166973158 939901126 /nfs/dbraw/zinc/90/11/26/939901126.db2.gz ASRRFCKHOHAIMU-UHFFFAOYSA-N 1 0 367.415 3.658 20 30 FHEDRO COc1cc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000179634531 939906500 /nfs/dbraw/zinc/90/65/00/939906500.db2.gz VBLFCWHVHUVTBH-OAHLLOKOSA-N 1 0 367.449 3.563 20 30 FHEDRO COc1cc(C#N)ccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000364598769 939970137 /nfs/dbraw/zinc/97/01/37/939970137.db2.gz KATNWUFBBOSZAB-NNZMDNLPSA-N 1 0 371.481 3.587 20 30 FHEDRO N#CCSCCC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375853509 939975937 /nfs/dbraw/zinc/97/59/37/939975937.db2.gz QGSXNGZPFOURKL-MRXNPFEDSA-N 1 0 358.429 3.643 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)CC1 ZINC000519301388 945290052 /nfs/dbraw/zinc/29/00/52/945290052.db2.gz BDNJNKGXTPDADE-FQEVSTJZSA-N 1 0 357.498 3.582 20 30 FHEDRO CC(C)Cc1c[nH]c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000413700477 940031019 /nfs/dbraw/zinc/03/10/19/940031019.db2.gz RYBBNRYVDHYFBK-UHFFFAOYSA-N 1 0 364.493 3.501 20 30 FHEDRO C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@](C)(C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000612379493 940033972 /nfs/dbraw/zinc/03/39/72/940033972.db2.gz RAIWQPBLSTVFOK-UZKOGDIHSA-N 1 0 368.525 3.622 20 30 FHEDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000375898826 940036607 /nfs/dbraw/zinc/03/66/07/940036607.db2.gz YAQIPOKQGUHOMZ-NRFANRHFSA-N 1 0 363.461 3.649 20 30 FHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000167414295 940041497 /nfs/dbraw/zinc/04/14/97/940041497.db2.gz VXLIHNKHBLKMRL-UHFFFAOYSA-N 1 0 365.437 3.604 20 30 FHEDRO N#Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)ccc1F ZINC000365178085 940076172 /nfs/dbraw/zinc/07/61/72/940076172.db2.gz NARCSLQYQFXVID-DYESRHJHSA-N 1 0 366.440 3.587 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1ccc(C#N)cc1Cl ZINC000365301640 940117222 /nfs/dbraw/zinc/11/72/22/940117222.db2.gz ZUARCVIIZCAYMK-ZBFHGGJFSA-N 1 0 355.873 3.569 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@H](C)C(C)C)c1C#N ZINC000472438172 940131688 /nfs/dbraw/zinc/13/16/88/940131688.db2.gz FTNIXDDHVMIGSI-MRXNPFEDSA-N 1 0 370.497 3.923 20 30 FHEDRO N#Cc1c(F)ccc(CNC2CC[NH+](CCc3ccncc3)CC2)c1Cl ZINC000365429505 940156009 /nfs/dbraw/zinc/15/60/09/940156009.db2.gz SJUHNRMMAOHBBB-UHFFFAOYSA-N 1 0 372.875 3.542 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000413823972 940158977 /nfs/dbraw/zinc/15/89/77/940158977.db2.gz BOWQUDAPORIERB-SFTDATJTSA-N 1 0 355.526 3.547 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000413833535 940166338 /nfs/dbraw/zinc/16/63/38/940166338.db2.gz KPKCMZNXFDHFEG-FQEVSTJZSA-N 1 0 355.526 3.834 20 30 FHEDRO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@](CO)(CCC)C2)cc1OC ZINC000628283582 940166892 /nfs/dbraw/zinc/16/68/92/940166892.db2.gz BJUMRAHJIKJRAK-LJQANCHMSA-N 1 0 353.890 3.898 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000440174792 945300376 /nfs/dbraw/zinc/30/03/76/945300376.db2.gz KLXBTZGDHSMISF-OAQYLSRUSA-N 1 0 370.541 3.989 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H]2c2ccccc2)c(OC)c1 ZINC000531140755 940175151 /nfs/dbraw/zinc/17/51/51/940175151.db2.gz IYIGQTMARIVHDG-PMACEKPBSA-N 1 0 353.462 3.610 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000440185804 945305945 /nfs/dbraw/zinc/30/59/45/945305945.db2.gz ROXZTQFZLROAKA-NRFANRHFSA-N 1 0 368.525 3.766 20 30 FHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3OC)ccc2NC1=O ZINC000180017955 940249224 /nfs/dbraw/zinc/24/92/24/940249224.db2.gz BBWZHIOFIZWIPW-ACJLOTCBSA-N 1 0 365.433 3.527 20 30 FHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1 ZINC000431677996 940251631 /nfs/dbraw/zinc/25/16/31/940251631.db2.gz GIIVHVFEFHEXNQ-UHFFFAOYSA-N 1 0 371.843 3.699 20 30 FHEDRO C=CCOc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1 ZINC000413906807 940264686 /nfs/dbraw/zinc/26/46/86/940264686.db2.gz ZGWQGVNZYKRANY-UHFFFAOYSA-N 1 0 358.413 3.583 20 30 FHEDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)c1 ZINC000376163604 940396337 /nfs/dbraw/zinc/39/63/37/940396337.db2.gz BVAFIXZJPPUFQD-UYMUPBKUSA-N 1 0 369.509 3.544 20 30 FHEDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000548993554 940456831 /nfs/dbraw/zinc/45/68/31/940456831.db2.gz ONDOOZLMAUPMJP-ALXJQNPVSA-N 1 0 352.482 3.642 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000376238013 940503970 /nfs/dbraw/zinc/50/39/70/940503970.db2.gz BGSQAWYRSSTVOB-OAQYLSRUSA-N 1 0 373.500 3.618 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000507578145 945333644 /nfs/dbraw/zinc/33/36/44/945333644.db2.gz CTQPAAGUKOQJKG-KQVJYAISSA-N 1 0 359.473 3.786 20 30 FHEDRO CC[N@@H+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000582232755 940655596 /nfs/dbraw/zinc/65/55/96/940655596.db2.gz LBUGCWJGMKAFGZ-INIZCTEOSA-N 1 0 365.502 3.876 20 30 FHEDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000151367971 945338236 /nfs/dbraw/zinc/33/82/36/945338236.db2.gz XJSRTHDOEXCVSG-OAHLLOKOSA-N 1 0 355.869 3.738 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000180137600 940673675 /nfs/dbraw/zinc/67/36/75/940673675.db2.gz GLJJZEKKVZYGLA-GOSISDBHSA-N 1 0 361.489 3.690 20 30 FHEDRO COc1ccc([C@H](CO)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000414173486 940709727 /nfs/dbraw/zinc/70/97/27/940709727.db2.gz GHERVQVVMFRJJS-UGKGYDQZSA-N 1 0 350.462 3.700 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C(F)(F)F ZINC000892546496 940712962 /nfs/dbraw/zinc/71/29/62/940712962.db2.gz KCDKJNGJXWDRAC-ARFHVFGLSA-N 1 0 354.372 3.558 20 30 FHEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000582569916 940730759 /nfs/dbraw/zinc/73/07/59/940730759.db2.gz PXUGKLIYQCZDIP-FQEVSTJZSA-N 1 0 351.450 3.979 20 30 FHEDRO Cn1cc(C[NH2+]Cc2cccc(OC(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180172873 940738985 /nfs/dbraw/zinc/73/89/85/940738985.db2.gz WGMMJTDHCCMDCT-UHFFFAOYSA-N 1 0 368.387 3.850 20 30 FHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330079211 945346918 /nfs/dbraw/zinc/34/69/18/945346918.db2.gz ODOIRYMCSMCSDL-LZQZEXGQSA-N 1 0 369.509 3.809 20 30 FHEDRO CN1C(=O)CC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000329972695 940771437 /nfs/dbraw/zinc/77/14/37/940771437.db2.gz WIMGSGUQDZISQM-LJQANCHMSA-N 1 0 357.498 3.528 20 30 FHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000414213411 940777214 /nfs/dbraw/zinc/77/72/14/940777214.db2.gz SSHLLUOCGWZHEG-ZDUSSCGKSA-N 1 0 362.882 3.856 20 30 FHEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613502892 940791235 /nfs/dbraw/zinc/79/12/35/940791235.db2.gz VYYSHLXVYWKEAI-GGAORHGYSA-N 1 0 364.489 3.590 20 30 FHEDRO C=CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000376340810 940803832 /nfs/dbraw/zinc/80/38/32/940803832.db2.gz MCRYGASFLBYHJO-RBBKRZOGSA-N 1 0 363.505 3.770 20 30 FHEDRO CC[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@]2(CCOC2)O1 ZINC000330089874 945351539 /nfs/dbraw/zinc/35/15/39/945351539.db2.gz WETDHFJOLZSCOE-GIVPXCGWSA-N 1 0 360.498 3.610 20 30 FHEDRO COc1ccccc1OC[C@H](C)CNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000160762503 940862225 /nfs/dbraw/zinc/86/22/25/940862225.db2.gz TXKLGOQZUHKTKI-MRXNPFEDSA-N 1 0 371.481 3.924 20 30 FHEDRO C#C[C@@H](CC)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000229890822 940891669 /nfs/dbraw/zinc/89/16/69/940891669.db2.gz RMAZHIBRXYVERI-JTQLQIEISA-N 1 0 361.077 3.722 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cccc(C#N)c1 ZINC000549055311 940904845 /nfs/dbraw/zinc/90/48/45/940904845.db2.gz ONWYKGLCJCLJIT-NRFANRHFSA-N 1 0 361.489 3.518 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000414292921 940906945 /nfs/dbraw/zinc/90/69/45/940906945.db2.gz CLBUBIVINJFTLS-LPHOPBHVSA-N 1 0 373.518 3.937 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000414304649 940931139 /nfs/dbraw/zinc/93/11/39/940931139.db2.gz PBPQSMDTYOGMOO-APWZRJJASA-N 1 0 358.507 3.896 20 30 FHEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180301932 940932449 /nfs/dbraw/zinc/93/24/49/940932449.db2.gz HDLMNZUNCIINJJ-RBUKOAKNSA-N 1 0 352.482 3.642 20 30 FHEDRO CCC1(CC)[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1OC ZINC000180301895 940932536 /nfs/dbraw/zinc/93/25/36/940932536.db2.gz HDLMNZUNCIINJJ-OALUTQOASA-N 1 0 352.482 3.642 20 30 FHEDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3cccc(C#N)c3)oc21 ZINC000180355195 940982942 /nfs/dbraw/zinc/98/29/42/940982942.db2.gz GQYVZYYPEMGEBC-AWEZNQCLSA-N 1 0 363.417 3.992 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000186817801 941057761 /nfs/dbraw/zinc/05/77/61/941057761.db2.gz GJWUXXSPJDXIDN-KRWDZBQOSA-N 1 0 353.510 3.607 20 30 FHEDRO COc1cc(C#N)ccc1OCCN1CC[C@](F)(c2ccccc2F)C1 ZINC000549079687 941065189 /nfs/dbraw/zinc/06/51/89/941065189.db2.gz IMTRQXCTUHNVCQ-HXUWFJFHSA-N 1 0 358.388 3.655 20 30 FHEDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000180709057 941067717 /nfs/dbraw/zinc/06/77/17/941067717.db2.gz VCHSJQRYNYGYNI-ZDUSSCGKSA-N 1 0 357.841 3.900 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000106037503 941088067 /nfs/dbraw/zinc/08/80/67/941088067.db2.gz TXINDIOWNYGTRB-UHFFFAOYSA-N 1 0 371.456 3.570 20 30 FHEDRO C[C@@H](c1nc2ccccc2o1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000180891215 941088503 /nfs/dbraw/zinc/08/85/03/941088503.db2.gz YVIZSMYZNJYXNW-KRWDZBQOSA-N 1 0 360.461 3.968 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccn1C1CCCC1 ZINC000181106114 941109474 /nfs/dbraw/zinc/10/94/74/941109474.db2.gz FBARCOLSXBGGBS-UHFFFAOYSA-N 1 0 364.493 3.679 20 30 FHEDRO CN(C(=O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C1(C#N)CCCCC1 ZINC000472621363 941140819 /nfs/dbraw/zinc/14/08/19/941140819.db2.gz DAHJGEDQFBFZOO-PMACEKPBSA-N 1 0 353.510 3.672 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659281516 941145751 /nfs/dbraw/zinc/14/57/51/941145751.db2.gz UADBPYPRRBZURA-SFHVURJKSA-N 1 0 350.462 3.560 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000177897631 941153572 /nfs/dbraw/zinc/15/35/72/941153572.db2.gz OUZWBKBRKJVTGR-MRXNPFEDSA-N 1 0 366.440 3.826 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000311267503 941162936 /nfs/dbraw/zinc/16/29/36/941162936.db2.gz BPGCDRMILZTQMY-ZBFHGGJFSA-N 1 0 361.461 3.823 20 30 FHEDRO C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1nc(Br)ccc1F ZINC000926812619 941235908 /nfs/dbraw/zinc/23/59/08/941235908.db2.gz NLEADGOCQVUCPG-YGRLFVJLSA-N 1 0 360.230 3.673 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000178525702 941275181 /nfs/dbraw/zinc/27/51/81/941275181.db2.gz MDCFSPFHWIHZHB-UHFFFAOYSA-N 1 0 373.294 3.983 20 30 FHEDRO N#CC1(c2ccccn2)CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000376596398 941286773 /nfs/dbraw/zinc/28/67/73/941286773.db2.gz VAZNMHDATUFLCG-UHFFFAOYSA-N 1 0 368.868 3.621 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000189918664 941303418 /nfs/dbraw/zinc/30/34/18/941303418.db2.gz OHCQNBZJSKAXQU-LJQANCHMSA-N 1 0 361.489 3.786 20 30 FHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc(O)c1 ZINC000181498745 941356008 /nfs/dbraw/zinc/35/60/08/941356008.db2.gz FEMVAMPKJQIBJP-ZDUSSCGKSA-N 1 0 369.490 3.884 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc(O)c1 ZINC000181492726 941365283 /nfs/dbraw/zinc/36/52/83/941365283.db2.gz MFBVEJKHDCHOGL-CYBMUJFWSA-N 1 0 369.490 3.884 20 30 FHEDRO C=CCCN(OCc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000782979052 941367701 /nfs/dbraw/zinc/36/77/01/941367701.db2.gz WSSFHQILZLJDJX-FQEVSTJZSA-N 1 0 359.514 3.684 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCC[C@H](CO)C3)c2)c1 ZINC000414578705 941384934 /nfs/dbraw/zinc/38/49/34/941384934.db2.gz PSVUAQDSIVZGOE-FPOVZHCZSA-N 1 0 350.462 3.778 20 30 FHEDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cnn(CCC#N)c2-c2ccccc2)n1 ZINC000414624890 941412473 /nfs/dbraw/zinc/41/24/73/941412473.db2.gz WHLQTJXGVBXATN-MRXNPFEDSA-N 1 0 350.426 3.560 20 30 FHEDRO CSc1nc(C2CC2)cc(-c2nc(-c3ccc(C[NH3+])cc3)no2)c1C#N ZINC000414639044 941422047 /nfs/dbraw/zinc/42/20/47/941422047.db2.gz DTVFCUWOCWVSFV-UHFFFAOYSA-N 1 0 363.446 3.728 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000377055697 941505282 /nfs/dbraw/zinc/50/52/82/941505282.db2.gz IFKQTSOTNOXHCU-QFIPXVFZSA-N 1 0 368.525 3.624 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH2+]CC3)cc2Cl)cc1 ZINC000414970423 941528064 /nfs/dbraw/zinc/52/80/64/941528064.db2.gz USWAGPZYKQKOAK-UHFFFAOYSA-N 1 0 370.840 3.877 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[NH2+]1 ZINC000414973350 941530726 /nfs/dbraw/zinc/53/07/26/941530726.db2.gz ZIBJDBORXZDRFH-ZDUSSCGKSA-N 1 0 370.840 3.830 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H](C[NH3+])C1 ZINC000415003668 941541527 /nfs/dbraw/zinc/54/15/27/941541527.db2.gz GJEJBEVTWOSWKS-CRAIPNDOSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000415014735 941542771 /nfs/dbraw/zinc/54/27/71/941542771.db2.gz XGFXHSGOXJUBHC-PBHICJAKSA-N 1 0 350.422 3.613 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415025446 941548572 /nfs/dbraw/zinc/54/85/72/941548572.db2.gz QZNOYBHSQFCJSZ-SFHVURJKSA-N 1 0 352.438 3.764 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415028968 941551176 /nfs/dbraw/zinc/55/11/76/941551176.db2.gz ZOHAONIHKAXPOD-BEFAXECRSA-N 1 0 364.449 3.860 20 30 FHEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000415058828 941571441 /nfs/dbraw/zinc/57/14/41/941571441.db2.gz IMHOOBWIPQVCRY-QGZVFWFLSA-N 1 0 364.449 3.875 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415060244 941571796 /nfs/dbraw/zinc/57/17/96/941571796.db2.gz JUHKMVHGVNMKKQ-DOTOQJQBSA-N 1 0 364.449 3.860 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415054096 941572310 /nfs/dbraw/zinc/57/23/10/941572310.db2.gz FBNFLNLQOFYTNY-OAHLLOKOSA-N 1 0 352.438 3.908 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415062704 941581050 /nfs/dbraw/zinc/58/10/50/941581050.db2.gz MTESUWDDQNWKIB-SJORKVTESA-N 1 0 364.449 3.908 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415071338 941585666 /nfs/dbraw/zinc/58/56/66/941585666.db2.gz ZIKHTYAHZKPSDE-SFHVURJKSA-N 1 0 350.422 3.518 20 30 FHEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000415128202 941622343 /nfs/dbraw/zinc/62/23/43/941622343.db2.gz RVKJMFICWGHDOJ-OAHLLOKOSA-N 1 0 374.391 3.544 20 30 FHEDRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541122966 941628281 /nfs/dbraw/zinc/62/82/81/941628281.db2.gz SZRVQKPOYDTULH-SJORKVTESA-N 1 0 364.493 3.926 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC000415143414 941628878 /nfs/dbraw/zinc/62/88/78/941628878.db2.gz AVAULTBHFMPKPR-PBHICJAKSA-N 1 0 350.422 3.613 20 30 FHEDRO CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C[NH3+])C1CC1 ZINC000415147263 941633409 /nfs/dbraw/zinc/63/34/09/941633409.db2.gz HHGFNQXGKAPHPR-LJQANCHMSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H]1C[NH3+] ZINC000415152819 941636048 /nfs/dbraw/zinc/63/60/48/941636048.db2.gz CFWYMRRKOGDGGT-DOTOQJQBSA-N 1 0 364.449 3.799 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2)c1 ZINC000415155074 941637377 /nfs/dbraw/zinc/63/73/77/941637377.db2.gz FDGNMGHCIPJJMK-DOTOQJQBSA-N 1 0 350.422 3.599 20 30 FHEDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415169488 941645800 /nfs/dbraw/zinc/64/58/00/941645800.db2.gz WACLKEOETBXTML-UHFFFAOYSA-N 1 0 352.438 3.799 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415164434 941646812 /nfs/dbraw/zinc/64/68/12/941646812.db2.gz PRZVHZGQDNDWIK-JYJNAYRXSA-N 1 0 360.527 3.825 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415171980 941648986 /nfs/dbraw/zinc/64/89/86/941648986.db2.gz YMBXASCRWMASMK-MRXNPFEDSA-N 1 0 368.506 3.931 20 30 FHEDRO Cc1cccc(C[NH+]2CCC(NC(=O)NCC(C)(C)CCC#N)CC2)c1 ZINC000377336053 941651320 /nfs/dbraw/zinc/65/13/20/941651320.db2.gz JHCPIYURKREQRA-UHFFFAOYSA-N 1 0 356.514 3.589 20 30 FHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2ccc(F)cc2)c1 ZINC000613666845 941659832 /nfs/dbraw/zinc/65/98/32/941659832.db2.gz GHTJXOSAZIFIOJ-ADLFWFRXSA-N 1 0 372.465 3.600 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000377398221 941691944 /nfs/dbraw/zinc/69/19/44/941691944.db2.gz JCGPCCWZGATBMT-OAQYLSRUSA-N 1 0 364.493 3.511 20 30 FHEDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415237366 941692345 /nfs/dbraw/zinc/69/23/45/941692345.db2.gz IFEJXZKQBVRLJB-INIZCTEOSA-N 1 0 356.401 3.594 20 30 FHEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000415237763 941698668 /nfs/dbraw/zinc/69/86/68/941698668.db2.gz JSPSYTZKWXQBIB-MRXNPFEDSA-N 1 0 368.412 3.705 20 30 FHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1c(C)nn(C)c1C ZINC000583491045 941699175 /nfs/dbraw/zinc/69/91/75/941699175.db2.gz DXWQFZZJTOSHQC-HXUWFJFHSA-N 1 0 351.498 3.618 20 30 FHEDRO COc1ccc2c(c1)CCC[C@@H]2NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330100717 941714145 /nfs/dbraw/zinc/71/41/45/941714145.db2.gz DSQBQLOFKWAFKS-NRFANRHFSA-N 1 0 371.525 3.983 20 30 FHEDRO Cc1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000729372789 941739956 /nfs/dbraw/zinc/73/99/56/941739956.db2.gz RNABAIYNZIDGDY-FQEVSTJZSA-N 1 0 364.493 3.522 20 30 FHEDRO C[NH+](C)CCCC1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000163743740 941766561 /nfs/dbraw/zinc/76/65/61/941766561.db2.gz BNAFYKWYPRKVAS-FQEVSTJZSA-N 1 0 356.514 3.795 20 30 FHEDRO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000472797774 941810190 /nfs/dbraw/zinc/81/01/90/941810190.db2.gz ZDMQIXTUVAYXKY-WOJBJXKFSA-N 1 0 357.498 3.629 20 30 FHEDRO N#Cc1cc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)ccc1Oc1ccccc1 ZINC000415531307 941882060 /nfs/dbraw/zinc/88/20/60/941882060.db2.gz FATPACATJGDEHB-INIZCTEOSA-N 1 0 364.449 3.943 20 30 FHEDRO N#Cc1cc(NC(=O)N2CCC[C@H](CC[NH3+])C2)ccc1Oc1ccccc1 ZINC000415531308 941882190 /nfs/dbraw/zinc/88/21/90/941882190.db2.gz FATPACATJGDEHB-MRXNPFEDSA-N 1 0 364.449 3.943 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[C@H]1[NH3+] ZINC000415532641 941883104 /nfs/dbraw/zinc/88/31/04/941883104.db2.gz GRLJAVANLNNIBV-RDTXWAMCSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@H]1C[NH3+] ZINC000415539763 941886172 /nfs/dbraw/zinc/88/61/72/941886172.db2.gz WKHSISWTCAWCKL-RDJZCZTQSA-N 1 0 364.449 3.799 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc(OC)c1O ZINC000513391668 941888056 /nfs/dbraw/zinc/88/80/56/941888056.db2.gz ZCSGDCZVZLECFZ-LJQANCHMSA-N 1 0 363.461 3.926 20 30 FHEDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926894693 941931909 /nfs/dbraw/zinc/93/19/09/941931909.db2.gz PFFBGACEIZOCTK-HZPDHXFCSA-N 1 0 367.534 3.709 20 30 FHEDRO CN(Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000513466578 941944894 /nfs/dbraw/zinc/94/48/94/941944894.db2.gz HPZWPXCXIRLAFK-QFIPXVFZSA-N 1 0 361.489 3.806 20 30 FHEDRO CCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 ZINC000513490327 941959794 /nfs/dbraw/zinc/95/97/94/941959794.db2.gz NDPLAUNSWPEMJA-FCHUYYIVSA-N 1 0 364.489 3.567 20 30 FHEDRO COc1cccc([C@@H](CNc2ncc(C#N)cc2Cl)[NH+]2CCCC2)c1 ZINC000513634429 942047800 /nfs/dbraw/zinc/04/78/00/942047800.db2.gz ARDDJVQGYIEYMW-GOSISDBHSA-N 1 0 356.857 3.864 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2ncc(C#N)cc2Cl)C[C@H](C)O1 ZINC000513629598 942053735 /nfs/dbraw/zinc/05/37/35/942053735.db2.gz HUWODFUEHKMPPS-GASCZTMLSA-N 1 0 370.884 3.828 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC[C@H]1[NH3+] ZINC000415804382 942061484 /nfs/dbraw/zinc/06/14/84/942061484.db2.gz KQCNRIJAKBPKLX-RDTXWAMCSA-N 1 0 366.490 3.910 20 30 FHEDRO C=CCC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccco1 ZINC000513672534 942066772 /nfs/dbraw/zinc/06/67/72/942066772.db2.gz LINANBRDOCDPQN-MRXNPFEDSA-N 1 0 368.886 3.508 20 30 FHEDRO N#CC1(COC(=O)c2cnc(C3CC3)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000893116295 942066802 /nfs/dbraw/zinc/06/68/02/942066802.db2.gz ZHKPJFURPCUYBG-UHFFFAOYSA-N 1 0 365.433 3.515 20 30 FHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1NC1CC([NH+]2CCCCC2)C1 ZINC000480839215 942071097 /nfs/dbraw/zinc/07/10/97/942071097.db2.gz JRGWAMCIKHJAFW-UHFFFAOYSA-N 1 0 358.848 3.750 20 30 FHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1-n1ccnn1 ZINC000513662703 942072036 /nfs/dbraw/zinc/07/20/36/942072036.db2.gz YULQCILHPSVLIK-INIZCTEOSA-N 1 0 363.490 3.723 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCNC(=O)c2ccccc2F)CC1 ZINC000271062482 942073502 /nfs/dbraw/zinc/07/35/02/942073502.db2.gz HJBORDIBFGFJBJ-UHFFFAOYSA-N 1 0 365.452 3.549 20 30 FHEDRO C[N@@H+]1CC[C@@H](CNc2cccc(Br)c2C#N)[C@@H]1c1cccnc1 ZINC000377974352 942102164 /nfs/dbraw/zinc/10/21/64/942102164.db2.gz SSWWGTQEHMDYNQ-KSSFIOAISA-N 1 0 371.282 3.821 20 30 FHEDRO CCN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501960888 942137582 /nfs/dbraw/zinc/13/75/82/942137582.db2.gz KUKBPMXNGUNZLI-XMSQKQJNSA-N 1 0 361.489 3.785 20 30 FHEDRO N#Cc1ncccc1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000377997061 942144537 /nfs/dbraw/zinc/14/45/37/942144537.db2.gz GBOAONTUBVYPHD-UHFFFAOYSA-N 1 0 359.433 3.685 20 30 FHEDRO CCC[N@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000047741244 942171474 /nfs/dbraw/zinc/17/14/74/942171474.db2.gz SUMXWWQQPAOIMW-UHFFFAOYSA-N 1 0 361.489 3.618 20 30 FHEDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000183428606 942216123 /nfs/dbraw/zinc/21/61/23/942216123.db2.gz PTKMMBDZXLNHQV-NHCUHLMSSA-N 1 0 368.502 3.671 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)ccc1OCc1ccccn1 ZINC000280703218 942235977 /nfs/dbraw/zinc/23/59/77/942235977.db2.gz SRKDUZRWYPCOMD-VGSWGCGISA-N 1 0 368.477 3.740 20 30 FHEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000502129131 942236312 /nfs/dbraw/zinc/23/63/12/942236312.db2.gz XGVVOJZHPAQNML-INIZCTEOSA-N 1 0 351.475 3.533 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280737649 942242679 /nfs/dbraw/zinc/24/26/79/942242679.db2.gz WMKOHQQNAIZCNZ-MAUKXSAKSA-N 1 0 351.450 3.585 20 30 FHEDRO CCCC[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC1 ZINC000502206195 942280782 /nfs/dbraw/zinc/28/07/82/942280782.db2.gz HTGFRBTXUGXZLR-UHFFFAOYSA-N 1 0 370.541 3.990 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1OC ZINC000414488135 942298253 /nfs/dbraw/zinc/29/82/53/942298253.db2.gz QLQWFNDIRWFVIZ-VQTJNVASSA-N 1 0 353.462 3.958 20 30 FHEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000421098938 942340729 /nfs/dbraw/zinc/34/07/29/942340729.db2.gz ZPSLHTXIXCVBAU-GOSISDBHSA-N 1 0 364.449 3.908 20 30 FHEDRO C[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000502302568 942343040 /nfs/dbraw/zinc/34/30/40/942343040.db2.gz IWNHBDGZXMJDHC-ZWKOTPCHSA-N 1 0 366.509 3.620 20 30 FHEDRO C[NH+](C)CC[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000502303734 942344033 /nfs/dbraw/zinc/34/40/33/942344033.db2.gz MYRMJDKMEWFBDC-HXUWFJFHSA-N 1 0 368.525 3.723 20 30 FHEDRO COc1cc(C#N)ccc1CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000501208109 942352069 /nfs/dbraw/zinc/35/20/69/942352069.db2.gz XSZAIQOGTVDTII-GOSISDBHSA-N 1 0 352.409 3.801 20 30 FHEDRO CC(C)C[N@H+](CCc1ccccc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000549400208 942365097 /nfs/dbraw/zinc/36/50/97/942365097.db2.gz PRYXBEWQSQCONY-UHFFFAOYSA-N 1 0 370.518 3.533 20 30 FHEDRO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC001269726895 942410947 /nfs/dbraw/zinc/41/09/47/942410947.db2.gz ZZYPBBNNXZWHKM-SFHVURJKSA-N 1 0 355.526 3.850 20 30 FHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416172666 942438385 /nfs/dbraw/zinc/43/83/85/942438385.db2.gz XNVFWXUHDXQNQH-XZOQPEGZSA-N 1 0 373.500 3.733 20 30 FHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000502442086 942454795 /nfs/dbraw/zinc/45/47/95/942454795.db2.gz OMFCIUSSDBCUMF-AWEZNQCLSA-N 1 0 366.412 3.546 20 30 FHEDRO N#Cc1ccc2nc(NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)ccc2c1 ZINC000366858887 942470265 /nfs/dbraw/zinc/47/02/65/942470265.db2.gz RIRZJIGODMXNDX-UHFFFAOYSA-N 1 0 374.410 3.746 20 30 FHEDRO N#Cc1cnc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(Cl)c1 ZINC000366502204 942471737 /nfs/dbraw/zinc/47/17/37/942471737.db2.gz ADVOXMKMFQOTDJ-UHFFFAOYSA-N 1 0 358.795 3.824 20 30 FHEDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)cc1 ZINC000505337746 942477454 /nfs/dbraw/zinc/47/74/54/942477454.db2.gz LUBRJWXLWZMWLC-UHFFFAOYSA-N 1 0 350.466 3.718 20 30 FHEDRO CC(C)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+]1CCC(C)CC1 ZINC000505342895 942480244 /nfs/dbraw/zinc/48/02/44/942480244.db2.gz IQAPECYZTLGWMB-FQEVSTJZSA-N 1 0 371.500 3.602 20 30 FHEDRO CC[C@@H]1C[C@]1([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(C)c1 ZINC000502506282 942483898 /nfs/dbraw/zinc/48/38/98/942483898.db2.gz GDBZJMSKLLOQIR-KAGYGMCKSA-N 1 0 350.462 3.521 20 30 FHEDRO CC[C@@H]1C[C@@]1([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(C)c1 ZINC000502506286 942483929 /nfs/dbraw/zinc/48/39/29/942483929.db2.gz GDBZJMSKLLOQIR-UZKOGDIHSA-N 1 0 350.462 3.521 20 30 FHEDRO CCc1noc(-c2ccc(CC[NH2+]Cc3ccc(C#N)c(F)c3)cc2)n1 ZINC000421327077 942485261 /nfs/dbraw/zinc/48/52/61/942485261.db2.gz POTIQMYWPMKSFZ-UHFFFAOYSA-N 1 0 350.397 3.642 20 30 FHEDRO C=CCSCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001268879322 942489255 /nfs/dbraw/zinc/48/92/55/942489255.db2.gz OFGVOUIVZGPOJC-LEWJYISDSA-N 1 0 372.578 3.960 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527205 942500599 /nfs/dbraw/zinc/50/05/99/942500599.db2.gz FPKMWPFCHTZAFM-AWEZNQCLSA-N 1 0 366.852 3.723 20 30 FHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(C#N)s1 ZINC000421355402 942505139 /nfs/dbraw/zinc/50/51/39/942505139.db2.gz YYBPJXJLECJPGX-CQSZACIVSA-N 1 0 367.474 3.564 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1F ZINC000421335568 942507660 /nfs/dbraw/zinc/50/76/60/942507660.db2.gz SSPAASNFAHNECH-UHFFFAOYSA-N 1 0 351.425 3.613 20 30 FHEDRO C=CCOc1cccnc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425037281 942513808 /nfs/dbraw/zinc/51/38/08/942513808.db2.gz KMBFFRSGIUAPHW-UHFFFAOYSA-N 1 0 372.494 3.512 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000502552224 942519191 /nfs/dbraw/zinc/51/91/91/942519191.db2.gz BFVMEIAXRVVGPQ-UNMCSNQZSA-N 1 0 367.489 3.698 20 30 FHEDRO CC(C)C[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000513821829 942539039 /nfs/dbraw/zinc/53/90/39/942539039.db2.gz QOOQQZVERZUQGX-UHFFFAOYSA-N 1 0 370.518 3.880 20 30 FHEDRO COCCOc1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000513717220 942543864 /nfs/dbraw/zinc/54/38/64/942543864.db2.gz MVGGJHFJJCCMOR-UHFFFAOYSA-N 1 0 366.461 3.627 20 30 FHEDRO N#Cc1cccc(OCC[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000501561720 942550570 /nfs/dbraw/zinc/55/05/70/942550570.db2.gz NXSIJUNUOBMOJV-QGZVFWFLSA-N 1 0 373.250 3.813 20 30 FHEDRO N#Cc1ccc(C[NH2+]CCCOc2ccc(C(F)(F)F)cn2)cc1F ZINC000421404162 942555229 /nfs/dbraw/zinc/55/52/29/942555229.db2.gz XVKIGSUWALFMAQ-UHFFFAOYSA-N 1 0 353.319 3.670 20 30 FHEDRO CCCn1nc(C)c(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1C ZINC000513716985 942558074 /nfs/dbraw/zinc/55/80/74/942558074.db2.gz KPETVLJWWGTWGY-UHFFFAOYSA-N 1 0 352.482 3.825 20 30 FHEDRO Cn1cc(Cl)cc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000120238417 942608094 /nfs/dbraw/zinc/60/80/94/942608094.db2.gz ZASKAFNNZJSNRN-UHFFFAOYSA-N 1 0 365.264 3.664 20 30 FHEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000183576597 942631996 /nfs/dbraw/zinc/63/19/96/942631996.db2.gz XQLRZMIVHHKHTD-HNNXBMFYSA-N 1 0 368.458 3.737 20 30 FHEDRO Cc1ccn(C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)n1 ZINC000378349316 942632195 /nfs/dbraw/zinc/63/21/95/942632195.db2.gz JIHJZSVCNGUFII-UHFFFAOYSA-N 1 0 374.492 3.806 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCCO2)C(C)C ZINC000513972337 942637508 /nfs/dbraw/zinc/63/75/08/942637508.db2.gz ASKHWOQSJULVQQ-IBGZPJMESA-N 1 0 357.498 3.832 20 30 FHEDRO CC1(C)CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H]1C#N ZINC000434446997 942671273 /nfs/dbraw/zinc/67/12/73/942671273.db2.gz SGUXCUAXWBBVDZ-PKOBYXMFSA-N 1 0 357.473 3.578 20 30 FHEDRO CC1(C(=O)N2CCc3c2cccc3C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000421654994 942722071 /nfs/dbraw/zinc/72/20/71/942722071.db2.gz FLOAYSFPONDDNK-UHFFFAOYSA-N 1 0 359.473 3.750 20 30 FHEDRO CCC1(CNC(=O)c2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000514059318 942722732 /nfs/dbraw/zinc/72/27/32/942722732.db2.gz MSZDYJMUOWSSND-UHFFFAOYSA-N 1 0 361.489 3.980 20 30 FHEDRO C[C@@H]([NH2+]C1(CNc2ncc(C#N)cc2Cl)CCOCC1)c1ccccc1 ZINC000514081058 942731615 /nfs/dbraw/zinc/73/16/15/942731615.db2.gz AKLFQQTZHMMRQZ-OAHLLOKOSA-N 1 0 370.884 3.919 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1OC ZINC000414542069 942735678 /nfs/dbraw/zinc/73/56/78/942735678.db2.gz CVRGURGDVXCNLB-UHFFFAOYSA-N 1 0 357.494 3.537 20 30 FHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(F)cc(F)c1OC)C2 ZINC001143559942 942753983 /nfs/dbraw/zinc/75/39/83/942753983.db2.gz BLVJTNWGWFIIII-UYAOXDASSA-N 1 0 367.436 3.547 20 30 FHEDRO C[NH+](C)C1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000421679453 942755129 /nfs/dbraw/zinc/75/51/29/942755129.db2.gz KMGZUKCAHWLBHK-UHFFFAOYSA-N 1 0 363.461 3.953 20 30 FHEDRO CCCc1ccc(C(=O)C(C(=S)NCC)[n+]2ccc(N(C)C)cc2)cc1 ZINC000280676130 942761942 /nfs/dbraw/zinc/76/19/42/942761942.db2.gz YWCBBCAJMFHUIX-UHFFFAOYSA-O 1 0 370.542 3.541 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@H](c2cccs2)N2CCCC2)O1 ZINC000378447418 942778835 /nfs/dbraw/zinc/77/88/35/942778835.db2.gz AKAXSNDTDRTLLU-FVVUREQNSA-N 1 0 359.539 3.714 20 30 FHEDRO Cc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000514185651 942794639 /nfs/dbraw/zinc/79/46/39/942794639.db2.gz JIEGZARAXNGJDE-HXUWFJFHSA-N 1 0 353.510 3.687 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1)C(=O)N(C)CCC#N ZINC000434634291 942810835 /nfs/dbraw/zinc/81/08/35/942810835.db2.gz RBXCTTIIBUBWDB-ZWKOTPCHSA-N 1 0 365.477 3.677 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000473002675 942970037 /nfs/dbraw/zinc/97/00/37/942970037.db2.gz QSBOZEWROCQSLC-UYAOXDASSA-N 1 0 355.526 3.690 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425234254 943031340 /nfs/dbraw/zinc/03/13/40/943031340.db2.gz YOAVDKUUGWEIST-UHFFFAOYSA-N 1 0 360.505 3.790 20 30 FHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000514501649 943066604 /nfs/dbraw/zinc/06/66/04/943066604.db2.gz KDLOXBWWFJPOJW-UHFFFAOYSA-N 1 0 365.477 3.599 20 30 FHEDRO N#Cc1cccc([N+](=O)[O-])c1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000425256189 943068739 /nfs/dbraw/zinc/06/87/39/943068739.db2.gz RCGBWYLNMQMNSG-NRFANRHFSA-N 1 0 362.433 3.569 20 30 FHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccc2[nH]ccc21 ZINC000434987293 943086583 /nfs/dbraw/zinc/08/65/83/943086583.db2.gz MHMLZOAIOAZBBK-UHFFFAOYSA-N 1 0 370.460 3.972 20 30 FHEDRO Cc1cc(F)ccc1C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434987465 943088169 /nfs/dbraw/zinc/08/81/69/943088169.db2.gz MZGNJDVRWMBUPG-UHFFFAOYSA-N 1 0 363.440 3.938 20 30 FHEDRO CCCC[N@H+](C)CC1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435012953 943098844 /nfs/dbraw/zinc/09/88/44/943098844.db2.gz MIFLCCDWZMJMAS-UHFFFAOYSA-N 1 0 353.510 3.560 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435020158 943100755 /nfs/dbraw/zinc/10/07/55/943100755.db2.gz NQFMLDGUZKPQCA-UYAOXDASSA-N 1 0 365.521 3.703 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435020157 943100956 /nfs/dbraw/zinc/10/09/56/943100956.db2.gz NQFMLDGUZKPQCA-QUCCMNQESA-N 1 0 365.521 3.703 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435025679 943110149 /nfs/dbraw/zinc/11/01/49/943110149.db2.gz JUHYCJKXTJLNPD-GOSISDBHSA-N 1 0 373.500 3.932 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)c(C#N)c1C ZINC000503368364 943142849 /nfs/dbraw/zinc/14/28/49/943142849.db2.gz CNJUJDFIKZZBHK-JEOXALJRSA-N 1 0 357.841 3.885 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)c(C#N)c1C ZINC000503368368 943143600 /nfs/dbraw/zinc/14/36/00/943143600.db2.gz CNJUJDFIKZZBHK-WLRWDXFRSA-N 1 0 357.841 3.885 20 30 FHEDRO C[C@H]1C[C@]1([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000503378677 943156469 /nfs/dbraw/zinc/15/64/69/943156469.db2.gz QFUUEVDUKBFTAA-IFXJQAMLSA-N 1 0 374.893 3.510 20 30 FHEDRO C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505606774 943176225 /nfs/dbraw/zinc/17/62/25/943176225.db2.gz GQHUAWYWADEVMR-QRWLVFNGSA-N 1 0 365.452 3.537 20 30 FHEDRO N#Cc1cc(NC2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000183930874 943179977 /nfs/dbraw/zinc/17/99/77/943179977.db2.gz IUGXGGRNUDRBNB-UHFFFAOYSA-N 1 0 350.422 3.585 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1c1cccn1C)C(C)C ZINC000503435868 943183244 /nfs/dbraw/zinc/18/32/44/943183244.db2.gz INHRFKOQGCAVOJ-UXHICEINSA-N 1 0 358.530 3.570 20 30 FHEDRO CN(C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000435152278 943193541 /nfs/dbraw/zinc/19/35/41/943193541.db2.gz SMCQGYNIRZTERA-LJQANCHMSA-N 1 0 366.440 3.826 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1C#N ZINC000435153576 943194413 /nfs/dbraw/zinc/19/44/13/943194413.db2.gz LBKZDOKWFUATKR-UHFFFAOYSA-N 1 0 374.847 3.946 20 30 FHEDRO CN(c1ccccc1CNc1cccc(OCC#N)c1)C1CC[NH+](C)CC1 ZINC000272720262 943209428 /nfs/dbraw/zinc/20/94/28/943209428.db2.gz ZFYYWYHRYLKECB-UHFFFAOYSA-N 1 0 364.493 3.731 20 30 FHEDRO CC(C)[N@@H+]1CCc2nc(CN3C[C@@H](c4ccccc4)[C@H](C#N)C3)sc2C1 ZINC000430132932 943210948 /nfs/dbraw/zinc/21/09/48/943210948.db2.gz NDKSWGFBFHKOLV-MSOLQXFVSA-N 1 0 366.534 3.649 20 30 FHEDRO C=CCn1c(SCC[N@@H+](C)Cc2ccccc2)nc2sccc2c1=O ZINC000430122880 943218507 /nfs/dbraw/zinc/21/85/07/943218507.db2.gz PIHLUIPZHZBIDT-UHFFFAOYSA-N 1 0 371.531 3.868 20 30 FHEDRO N#CCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000273002471 943259340 /nfs/dbraw/zinc/25/93/40/943259340.db2.gz AHVOOGOWPPJKAP-UHFFFAOYSA-N 1 0 360.255 3.816 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCc4cccnc4CC3)C2)c(F)c1 ZINC000514787636 943290364 /nfs/dbraw/zinc/29/03/64/943290364.db2.gz SJSKEWYPVUWYQB-RBUKOAKNSA-N 1 0 364.468 3.598 20 30 FHEDRO C#CCCCCCC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000780388464 943320450 /nfs/dbraw/zinc/32/04/50/943320450.db2.gz RAAUDSICJYNOCG-FQEVSTJZSA-N 1 0 356.510 3.922 20 30 FHEDRO C=CCOc1ccccc1CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422904681 943326630 /nfs/dbraw/zinc/32/66/30/943326630.db2.gz HJAVLGJMHBBTOF-IRLDBZIGSA-N 1 0 352.478 3.843 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)C1 ZINC000664332037 943333518 /nfs/dbraw/zinc/33/35/18/943333518.db2.gz BHAPKEABMHWWEL-LJQANCHMSA-N 1 0 370.541 3.957 20 30 FHEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000417121061 943356824 /nfs/dbraw/zinc/35/68/24/943356824.db2.gz ZRFAFPVNGKHVBS-QRWLVFNGSA-N 1 0 350.466 3.742 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000664333943 943357242 /nfs/dbraw/zinc/35/72/42/943357242.db2.gz TUVOIMVJEMTIDK-GOSISDBHSA-N 1 0 356.514 3.649 20 30 FHEDRO CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)c1cc(C#N)ccn1 ZINC001269441622 943371925 /nfs/dbraw/zinc/37/19/25/943371925.db2.gz PSJWERCCUMWKOP-UHFFFAOYSA-N 1 0 370.456 3.862 20 30 FHEDRO COCCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000425365997 943376335 /nfs/dbraw/zinc/37/63/35/943376335.db2.gz NTWXKZXVTUJPAH-INIZCTEOSA-N 1 0 354.450 3.785 20 30 FHEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)C1 ZINC000514908445 943378884 /nfs/dbraw/zinc/37/88/84/943378884.db2.gz BESBZNUCIJXUOJ-GHTZIAJQSA-N 1 0 357.461 3.775 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000503912142 943417141 /nfs/dbraw/zinc/41/71/41/943417141.db2.gz RQNAQEOELPJZRX-KUFMOJEASA-N 1 0 353.510 3.914 20 30 FHEDRO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1nc(C#N)cs1 ZINC000514975091 943427662 /nfs/dbraw/zinc/42/76/62/943427662.db2.gz BCJUIBCHUBKLAB-GOSISDBHSA-N 1 0 354.523 3.577 20 30 FHEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000504005296 943462585 /nfs/dbraw/zinc/46/25/85/943462585.db2.gz ZNCZJIPZJQSJAS-AWEZNQCLSA-N 1 0 360.383 3.855 20 30 FHEDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1F ZINC000423358569 943489674 /nfs/dbraw/zinc/48/96/74/943489674.db2.gz BTFJTWOJDXTCTA-APXLUKDGSA-N 1 0 359.395 3.772 20 30 FHEDRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000515121127 943515795 /nfs/dbraw/zinc/51/57/95/943515795.db2.gz LTEIQHZFPPKKGI-FMFRFZGHSA-N 1 0 374.550 4.000 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000515161080 943539752 /nfs/dbraw/zinc/53/97/52/943539752.db2.gz SGVAWGNOIPKJBN-INIZCTEOSA-N 1 0 364.449 3.949 20 30 FHEDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417374287 943544268 /nfs/dbraw/zinc/54/42/68/943544268.db2.gz XWWHJCHRFJIKLH-QRWLVFNGSA-N 1 0 364.445 3.838 20 30 FHEDRO N#Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C(N)=O)cc1 ZINC000435668514 943549647 /nfs/dbraw/zinc/54/96/47/943549647.db2.gz ZPQQLCYBNBSFGH-USXIJHARSA-N 1 0 360.244 3.537 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000425400435 943556005 /nfs/dbraw/zinc/55/60/05/943556005.db2.gz XTFVEFCBXVRFTI-KBXCAEBGSA-N 1 0 356.495 3.625 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000424080670 943714002 /nfs/dbraw/zinc/71/40/02/943714002.db2.gz TUMKVQAGKNFAKO-MRXNPFEDSA-N 1 0 354.479 3.649 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000424109505 943734884 /nfs/dbraw/zinc/73/48/84/943734884.db2.gz BDDUDYVTODTIBJ-OALUTQOASA-N 1 0 355.869 3.761 20 30 FHEDRO CC(C)C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424110972 943737130 /nfs/dbraw/zinc/73/71/30/943737130.db2.gz DZIDCVHNEWFSAM-CVEARBPZSA-N 1 0 355.404 3.930 20 30 FHEDRO COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424117543 943740252 /nfs/dbraw/zinc/74/02/52/943740252.db2.gz CKYQCLFVXBWCPS-OXQOHEQNSA-N 1 0 365.477 3.903 20 30 FHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000424118972 943741539 /nfs/dbraw/zinc/74/15/39/943741539.db2.gz DAAMYMIPTFEFRA-INIZCTEOSA-N 1 0 363.575 3.590 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000424119720 943742195 /nfs/dbraw/zinc/74/21/95/943742195.db2.gz GDSZNTIZYGOBEU-MRXNPFEDSA-N 1 0 357.841 3.879 20 30 FHEDRO CC(C)(C)Oc1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)c(C(F)(F)F)c1 ZINC000424122899 943743675 /nfs/dbraw/zinc/74/36/75/943743675.db2.gz JIYVHHPYEMCKMG-OAHLLOKOSA-N 1 0 371.403 3.520 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000424137086 943748253 /nfs/dbraw/zinc/74/82/53/943748253.db2.gz LKNCTCBKSCXXKY-QGZVFWFLSA-N 1 0 367.415 3.998 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000424146536 943750034 /nfs/dbraw/zinc/75/00/34/943750034.db2.gz WPRICAABXLGAQJ-GOSISDBHSA-N 1 0 357.841 3.879 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000516855330 943758441 /nfs/dbraw/zinc/75/84/41/943758441.db2.gz GYHKFTBWUVMZPI-INIZCTEOSA-N 1 0 352.463 3.583 20 30 FHEDRO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCCC[C@@H]1C ZINC000435784542 943769887 /nfs/dbraw/zinc/76/98/87/943769887.db2.gz FRQUSGHZXPRUPP-ZWKOTPCHSA-N 1 0 366.509 3.938 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000424165756 943770911 /nfs/dbraw/zinc/77/09/11/943770911.db2.gz BCRVVTIDKAVTBH-JXFKEZNVSA-N 1 0 359.901 3.882 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000515293092 943777955 /nfs/dbraw/zinc/77/79/55/943777955.db2.gz GBFUVDZMVMWRNP-SCLBCKFNSA-N 1 0 363.914 3.758 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1OC ZINC000424208467 943788841 /nfs/dbraw/zinc/78/88/41/943788841.db2.gz RURZKPKJPUDLFT-BTTYYORXSA-N 1 0 352.272 3.911 20 30 FHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000424255721 943807487 /nfs/dbraw/zinc/80/74/87/943807487.db2.gz UVPBXIDDXSTKFI-IKGGRYGDSA-N 1 0 363.575 3.589 20 30 FHEDRO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000435881698 943815444 /nfs/dbraw/zinc/81/54/44/943815444.db2.gz BNNYSKWFCMFJKN-MSOLQXFVSA-N 1 0 366.509 3.795 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000424297495 943825251 /nfs/dbraw/zinc/82/52/51/943825251.db2.gz QTHPNPORFABTTI-WHOFXGATSA-N 1 0 357.235 3.533 20 30 FHEDRO CC1(C#N)CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000506052708 943834872 /nfs/dbraw/zinc/83/48/72/943834872.db2.gz XRNNMNGFNHFXDG-HXUWFJFHSA-N 1 0 350.462 3.719 20 30 FHEDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414906755 943865517 /nfs/dbraw/zinc/86/55/17/943865517.db2.gz PPUCEHSFCGKMQB-FUHWJXTLSA-N 1 0 368.868 3.821 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1cccc(F)c1 ZINC000506059314 943884501 /nfs/dbraw/zinc/88/45/01/943884501.db2.gz GSBUVTOCEXMZMG-IBGZPJMESA-N 1 0 371.431 3.533 20 30 FHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cn2ccccc2c1C#N ZINC000437534846 943896963 /nfs/dbraw/zinc/89/69/63/943896963.db2.gz FEQACSRRASLTHR-UHFFFAOYSA-N 1 0 366.431 3.907 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)cc1 ZINC000424425648 943901513 /nfs/dbraw/zinc/90/15/13/943901513.db2.gz ZDVJKFBYRUOWIC-RTBURBONSA-N 1 0 350.422 3.742 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000425428472 943902760 /nfs/dbraw/zinc/90/27/60/943902760.db2.gz VWPPCKUQHOQEJN-SGLNWRHMSA-N 1 0 368.525 3.656 20 30 FHEDRO C=CCc1cc(CNC(=O)Nc2cc(C)cc(C[NH3+])c2)cc(OC)c1OC ZINC000424438849 943913579 /nfs/dbraw/zinc/91/35/79/943913579.db2.gz QPZDAHUDMVQGFQ-UHFFFAOYSA-N 1 0 369.465 3.521 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000436002611 943935935 /nfs/dbraw/zinc/93/59/35/943935935.db2.gz PZRNKNDUBVWNOS-RYUDHWBXSA-N 1 0 359.333 3.974 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000504965738 943942791 /nfs/dbraw/zinc/94/27/91/943942791.db2.gz QBIINZXSVPMOTF-UHFFFAOYSA-N 1 0 373.566 3.746 20 30 FHEDRO CCCCCCCCCC(=O)N1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001270238112 943947578 /nfs/dbraw/zinc/94/75/78/943947578.db2.gz LWOKPRZZBMDSQM-UHFFFAOYSA-N 1 0 351.579 3.613 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000417908105 943951580 /nfs/dbraw/zinc/95/15/80/943951580.db2.gz AYPILLLILKURDM-PVAVHDDUSA-N 1 0 367.415 3.716 20 30 FHEDRO C=CCN(CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000515528739 943964273 /nfs/dbraw/zinc/96/42/73/943964273.db2.gz UKXWDHFYBXIBDM-GOSISDBHSA-N 1 0 352.478 3.903 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000437609578 943966909 /nfs/dbraw/zinc/96/69/09/943966909.db2.gz XGAGQHCGVLKXHF-PGRDOPGGSA-N 1 0 358.526 3.764 20 30 FHEDRO C=CCN(C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H](C)COC ZINC000664519144 943976086 /nfs/dbraw/zinc/97/60/86/943976086.db2.gz HOOHLZMAXLKGAC-IRFCIJBXSA-N 1 0 373.541 3.520 20 30 FHEDRO C=CCC1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000424589276 944009607 /nfs/dbraw/zinc/00/96/07/944009607.db2.gz JOHDQQDCBXROFS-LJQANCHMSA-N 1 0 370.537 3.908 20 30 FHEDRO COc1cccc([C@H](CNc2snc(Cl)c2C#N)[NH+]2CCCC2)c1 ZINC000092582879 944025072 /nfs/dbraw/zinc/02/50/72/944025072.db2.gz HIKGJZZKTBCMNS-HNNXBMFYSA-N 1 0 362.886 3.926 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)CC1 ZINC000424652847 944035088 /nfs/dbraw/zinc/03/50/88/944035088.db2.gz RJGDNFNCIXZEQV-LCSXWQTCSA-N 1 0 358.448 3.758 20 30 FHEDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2sccc21 ZINC000515599125 944036186 /nfs/dbraw/zinc/03/61/86/944036186.db2.gz HWPVZRMTVRNWON-CCKFTAQKSA-N 1 0 365.502 3.949 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C[C@@H](C)O)C2CCCCC2)c1 ZINC000517136150 944037667 /nfs/dbraw/zinc/03/76/67/944037667.db2.gz VBPLGEKNQYCHNS-LJQANCHMSA-N 1 0 371.525 3.566 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000417983739 944038257 /nfs/dbraw/zinc/03/82/57/944038257.db2.gz CLWXTUKIDHVLQS-QYWGDWMGSA-N 1 0 362.477 3.665 20 30 FHEDRO C[C@H](NC(=O)N(C)C1CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990763 944040064 /nfs/dbraw/zinc/04/00/64/944040064.db2.gz KTWWTRSNJFMJPN-INIZCTEOSA-N 1 0 362.477 3.680 20 30 FHEDRO C=CCCC[C@@H](C)NC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000417992306 944040323 /nfs/dbraw/zinc/04/03/23/944040323.db2.gz WLAPWRNOMMBPTA-MRXNPFEDSA-N 1 0 373.545 3.511 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417998798 944047680 /nfs/dbraw/zinc/04/76/80/944047680.db2.gz VGALQHHVSOXOCK-IIBYNOLFSA-N 1 0 362.477 3.637 20 30 FHEDRO C[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000418003983 944057271 /nfs/dbraw/zinc/05/72/71/944057271.db2.gz ZGGIICAFRWTASB-KKSFZXQISA-N 1 0 362.477 3.680 20 30 FHEDRO N#CCCC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000431969980 944059770 /nfs/dbraw/zinc/05/97/70/944059770.db2.gz GTDFZERHLDHNRQ-ICSRJNTNSA-N 1 0 354.498 3.738 20 30 FHEDRO CC(C)([NH3+])CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414912483 944068790 /nfs/dbraw/zinc/06/87/90/944068790.db2.gz UVFRFCBRKZCFDC-INIZCTEOSA-N 1 0 356.857 3.854 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000418023517 944069395 /nfs/dbraw/zinc/06/93/95/944069395.db2.gz CCDPXPIUJBJLIC-LPHOPBHVSA-N 1 0 363.452 3.613 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CCC(C[NH2+]CC)CC1)c1ccc(F)c(F)c1 ZINC000418026504 944071507 /nfs/dbraw/zinc/07/15/07/944071507.db2.gz HLWZINBTYYFVRP-GOSISDBHSA-N 1 0 351.441 3.613 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)CCOCC1 ZINC000424699905 944073864 /nfs/dbraw/zinc/07/38/64/944073864.db2.gz DQKWVINOXOIDSO-GOSISDBHSA-N 1 0 372.509 3.719 20 30 FHEDRO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000424703062 944075546 /nfs/dbraw/zinc/07/55/46/944075546.db2.gz GMDFQANCFKDNKH-UYAOXDASSA-N 1 0 356.510 3.529 20 30 FHEDRO N#CCCn1cc(C[NH+]2CCC(OC3CCC3)CC2)c(-c2ccccc2)n1 ZINC000418100932 944156327 /nfs/dbraw/zinc/15/63/27/944156327.db2.gz RRCOZCHJTVKMLT-UHFFFAOYSA-N 1 0 364.493 3.997 20 30 FHEDRO C=CCc1cc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCO3)cc(OC)c1O ZINC000500152581 944175263 /nfs/dbraw/zinc/17/52/63/944175263.db2.gz XSCKMZNRUFYNGG-UHFFFAOYSA-N 1 0 369.461 3.925 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000436307427 944190325 /nfs/dbraw/zinc/19/03/25/944190325.db2.gz NOABMAHMBJOUSY-CDXJDZJCSA-N 1 0 355.482 3.631 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]C3CCC(C(F)(F)F)CC3)CC2)nc1 ZINC000123146419 944191130 /nfs/dbraw/zinc/19/11/30/944191130.db2.gz VQDVXPWEVRLJGH-UHFFFAOYSA-N 1 0 352.404 3.633 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000436312818 944192003 /nfs/dbraw/zinc/19/20/03/944192003.db2.gz WGXKKRWQPOPJLN-INWMFGNUSA-N 1 0 371.262 3.923 20 30 FHEDRO C[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)[C@H]1C(=O)OC(C)(C)C ZINC000425515391 944196820 /nfs/dbraw/zinc/19/68/20/944196820.db2.gz SNBQXQZWJSBJEC-IAGOWNOFSA-N 1 0 350.503 3.529 20 30 FHEDRO CN(C(=O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000500175534 944217845 /nfs/dbraw/zinc/21/78/45/944217845.db2.gz ZVJMZHDSYYLIFM-NRFANRHFSA-N 1 0 353.510 3.725 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000436343210 944219675 /nfs/dbraw/zinc/21/96/75/944219675.db2.gz VVQPXOLVDAFACZ-FPOVZHCZSA-N 1 0 371.525 3.818 20 30 FHEDRO C=CCOc1ccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000418169556 944232392 /nfs/dbraw/zinc/23/23/92/944232392.db2.gz QHBQMDGEGWQVEX-FQEVSTJZSA-N 1 0 353.466 3.531 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000546124366 944263981 /nfs/dbraw/zinc/26/39/81/944263981.db2.gz NXZQLKPEMCEHRZ-DLBZAZTESA-N 1 0 357.498 3.698 20 30 FHEDRO CSc1nc(C2CC2)cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1C#N ZINC000517395206 944265453 /nfs/dbraw/zinc/26/54/53/944265453.db2.gz XGUOILIKHODNJX-KBPBESRZSA-N 1 0 372.538 3.545 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(F)c(C#N)c3)cc2)C1 ZINC000506465762 944270867 /nfs/dbraw/zinc/27/08/67/944270867.db2.gz JVEAEYPJDVLUCY-INIZCTEOSA-N 1 0 365.452 3.859 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000418222380 944272036 /nfs/dbraw/zinc/27/20/36/944272036.db2.gz WXMQOXKCSFOEDQ-OAQYLSRUSA-N 1 0 364.493 3.635 20 30 FHEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000418220527 944279488 /nfs/dbraw/zinc/27/94/88/944279488.db2.gz UVFIKWRXVIWWFN-NHCUHLMSSA-N 1 0 364.493 3.983 20 30 FHEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000517440070 944298347 /nfs/dbraw/zinc/29/83/47/944298347.db2.gz HTGJCIHGNWQUNG-QGZVFWFLSA-N 1 0 354.281 3.796 20 30 FHEDRO CN(CC#Cc1ccc(F)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000438054349 944300424 /nfs/dbraw/zinc/30/04/24/944300424.db2.gz CHGSYKXONCDKEH-LJQANCHMSA-N 1 0 356.828 3.568 20 30 FHEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000425554515 944324885 /nfs/dbraw/zinc/32/48/85/944324885.db2.gz WPROAIODPFCDPF-CQSZACIVSA-N 1 0 367.415 3.521 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(OC(F)F)c1 ZINC000425556416 944332117 /nfs/dbraw/zinc/33/21/17/944332117.db2.gz TWIUMEHQTMKBSO-GOSISDBHSA-N 1 0 362.420 3.941 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc(F)c(Oc2ccc(C#N)cc2)n1 ZINC001167752218 944354575 /nfs/dbraw/zinc/35/45/75/944354575.db2.gz RSWIUDYVJCFXLG-OAHLLOKOSA-N 1 0 369.444 3.956 20 30 FHEDRO COc1cc(C#N)ccc1CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000518439198 944367138 /nfs/dbraw/zinc/36/71/38/944367138.db2.gz AXYXRZMGKVUMLR-SFHVURJKSA-N 1 0 369.534 3.891 20 30 FHEDRO N#Cc1ccc(CCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000140093500 944378117 /nfs/dbraw/zinc/37/81/17/944378117.db2.gz XKFAWBKWZNJUSW-IBGZPJMESA-N 1 0 367.518 3.581 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)[N@H+]1C ZINC000436501447 944386925 /nfs/dbraw/zinc/38/69/25/944386925.db2.gz DHKVSDNKNWTTSC-IYBDPMFKSA-N 1 0 364.449 3.907 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000438175004 944387005 /nfs/dbraw/zinc/38/70/05/944387005.db2.gz HXGZLNYQXDBXKN-SFHVURJKSA-N 1 0 366.427 3.745 20 30 FHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000439168088 944391834 /nfs/dbraw/zinc/39/18/34/944391834.db2.gz ZMDZLNPXEDFPIS-LBPRGKRZSA-N 1 0 362.399 3.692 20 30 FHEDRO COc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(C)c1OC ZINC000517548487 944394669 /nfs/dbraw/zinc/39/46/69/944394669.db2.gz RYGOCCAENMYOFR-UHFFFAOYSA-N 1 0 366.461 3.927 20 30 FHEDRO CN(C)c1ccccc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000517582640 944416345 /nfs/dbraw/zinc/41/63/45/944416345.db2.gz ZDHMBBUOJWHHNH-SFHVURJKSA-N 1 0 352.457 3.522 20 30 FHEDRO C=CC1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000111742405 944421658 /nfs/dbraw/zinc/42/16/58/944421658.db2.gz RFYPZLAOHIAKTD-UHFFFAOYSA-N 1 0 359.539 3.708 20 30 FHEDRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)on1 ZINC000505848512 944425646 /nfs/dbraw/zinc/42/56/46/944425646.db2.gz UPGHEZIOKSSJSB-INIZCTEOSA-N 1 0 358.829 3.674 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000506514915 944439897 /nfs/dbraw/zinc/43/98/97/944439897.db2.gz GWKWYUMCZODGRN-MRXNPFEDSA-N 1 0 365.452 3.859 20 30 FHEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000516102251 944484298 /nfs/dbraw/zinc/48/42/98/944484298.db2.gz ZEZXALDQHBAYDZ-XLIONFOSSA-N 1 0 368.477 3.630 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)COc3ccc(C#N)cc3)cc2)C1 ZINC000046934481 944494910 /nfs/dbraw/zinc/49/49/10/944494910.db2.gz YSAZUUYLSLTRHB-KRWDZBQOSA-N 1 0 363.461 3.808 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)c(C(F)(F)F)c1 ZINC000517726595 944539867 /nfs/dbraw/zinc/53/98/67/944539867.db2.gz QWWATLFOIQUUMP-UHFFFAOYSA-N 1 0 373.378 3.994 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3c(cccc3C(C)C)C2)CC1 ZINC000473823444 944571424 /nfs/dbraw/zinc/57/14/24/944571424.db2.gz RYDATAIPKHMVKH-UHFFFAOYSA-N 1 0 355.526 3.918 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000518684527 944595569 /nfs/dbraw/zinc/59/55/69/944595569.db2.gz FUXPBIBYKDCTKG-INIZCTEOSA-N 1 0 360.527 3.792 20 30 FHEDRO C=C(C)COc1cc(C[N@H+](CCO)Cc2cccc(F)c2)ccc1OC ZINC000426381348 944599083 /nfs/dbraw/zinc/59/90/83/944599083.db2.gz YJEQOONVNKKMNY-UHFFFAOYSA-N 1 0 359.441 3.784 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000516245334 944629503 /nfs/dbraw/zinc/62/95/03/944629503.db2.gz GZDYAPZRSVDBJN-GUDVDZBRSA-N 1 0 373.541 3.759 20 30 FHEDRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458855503 944646764 /nfs/dbraw/zinc/64/67/64/944646764.db2.gz YGVZBUXIYOUXKI-HXUWFJFHSA-N 1 0 356.514 3.939 20 30 FHEDRO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCOCc2ccccc2)c(C#N)c1C ZINC000439479145 944680167 /nfs/dbraw/zinc/68/01/67/944680167.db2.gz SGVAYMDUXOKATK-MRXNPFEDSA-N 1 0 369.465 3.634 20 30 FHEDRO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000518751972 944695161 /nfs/dbraw/zinc/69/51/61/944695161.db2.gz BVNOIJBRSAQJHN-GOSISDBHSA-N 1 0 371.525 3.633 20 30 FHEDRO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000518751973 944695433 /nfs/dbraw/zinc/69/54/33/944695433.db2.gz BVNOIJBRSAQJHN-SFHVURJKSA-N 1 0 371.525 3.633 20 30 FHEDRO C[NH+]=C(NC[C@@H]1CCCO[C@H]1C(C)(C)C)N(C)Cc1cc(Cl)cn1C ZINC000261994309 944704458 /nfs/dbraw/zinc/70/44/58/944704458.db2.gz SAMVHNIFOFPVEG-WMLDXEAASA-N 1 0 368.953 3.527 20 30 FHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000458809439 944747529 /nfs/dbraw/zinc/74/75/29/944747529.db2.gz AIXKHWWFUWETFX-FMWKFLBASA-N 1 0 368.525 3.793 20 30 FHEDRO C=CCNC(=O)[C@@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000516379047 944782184 /nfs/dbraw/zinc/78/21/84/944782184.db2.gz STXKLFNIWANLOE-CQSZACIVSA-N 1 0 354.416 3.798 20 30 FHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1OC ZINC000120720908 944860804 /nfs/dbraw/zinc/86/08/04/944860804.db2.gz XOAXTVCQRVJLMC-UHFFFAOYSA-N 1 0 354.450 3.996 20 30 FHEDRO CC1CC[NH+](CCCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438637107 944871623 /nfs/dbraw/zinc/87/16/23/944871623.db2.gz RLJFWXPZNIUNKX-UHFFFAOYSA-N 1 0 368.403 3.821 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425666569 944882999 /nfs/dbraw/zinc/88/29/99/944882999.db2.gz YGAAQAVMZBWAGI-APWZRJJASA-N 1 0 368.481 3.937 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H](C[NH3+])C1CC1 ZINC000415003977 944891812 /nfs/dbraw/zinc/89/18/12/944891812.db2.gz GZLFKLHUKIYASD-SFHVURJKSA-N 1 0 350.422 3.552 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000517982120 944906039 /nfs/dbraw/zinc/90/60/39/944906039.db2.gz CPWRBHUSVVRYTH-UHFFFAOYSA-N 1 0 371.506 3.507 20 30 FHEDRO Cc1cc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)nn1-c1cccc(C#N)c1 ZINC000507091844 944929683 /nfs/dbraw/zinc/92/96/83/944929683.db2.gz ZMXCGRSHQGPQGA-UHFFFAOYSA-N 1 0 373.460 3.675 20 30 FHEDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000426950622 944961712 /nfs/dbraw/zinc/96/17/12/944961712.db2.gz GMHIIYMDALFUDV-UHFFFAOYSA-N 1 0 355.869 3.724 20 30 FHEDRO CCCCCCCCC(=O)N1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001270163296 944967233 /nfs/dbraw/zinc/96/72/33/944967233.db2.gz ANQYTHNLSPEXEV-UHFFFAOYSA-N 1 0 360.546 3.975 20 30 FHEDRO CCCCCCCCC(=O)N1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001270163885 944972559 /nfs/dbraw/zinc/97/25/59/944972559.db2.gz LRGWJPMPFDSHCE-OAQYLSRUSA-N 1 0 351.579 3.613 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000660472918 944997552 /nfs/dbraw/zinc/99/75/52/944997552.db2.gz BSGVDMPPARGOEV-OYRHEFFESA-N 1 0 353.510 3.791 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@](F)(c3ccccc3C)C2)CC1 ZINC000507178783 945009485 /nfs/dbraw/zinc/00/94/85/945009485.db2.gz IVWPPFLRRVYZBT-OAQYLSRUSA-N 1 0 359.489 3.616 20 30 FHEDRO CCCCNC(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427022487 945019786 /nfs/dbraw/zinc/01/97/86/945019786.db2.gz NDCVMLWDGYANAX-KRWDZBQOSA-N 1 0 366.427 3.685 20 30 FHEDRO COc1ccc(C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C(C)(C)C)cc1 ZINC000516600455 945043432 /nfs/dbraw/zinc/04/34/32/945043432.db2.gz ZHBMIZQVJHIGIM-IBGZPJMESA-N 1 0 368.477 3.607 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000120813795 945045683 /nfs/dbraw/zinc/04/56/83/945045683.db2.gz RUTKGIULAIMCSS-OAHLLOKOSA-N 1 0 368.399 3.581 20 30 FHEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cccc(-n3cccn3)c2C#N)CC1 ZINC000578906684 945054258 /nfs/dbraw/zinc/05/42/58/945054258.db2.gz RBGQPRPSASLXKC-QGZVFWFLSA-N 1 0 372.476 3.776 20 30 FHEDRO N#Cc1ccc(CCC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000518128418 945054296 /nfs/dbraw/zinc/05/42/96/945054296.db2.gz SSOGCEKMHSESDS-UHFFFAOYSA-N 1 0 373.500 3.540 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1c(F)cccc1C#N ZINC000506372975 945059654 /nfs/dbraw/zinc/05/96/54/945059654.db2.gz ZKUSFDKHDBPGKK-UHFFFAOYSA-N 1 0 369.440 3.599 20 30 FHEDRO C=CCC(C)(C)CNC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000432093517 945062915 /nfs/dbraw/zinc/06/29/15/945062915.db2.gz KUXDRIOUJPVPHW-HDICACEKSA-N 1 0 373.541 3.697 20 30 FHEDRO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cnc2ccccc12 ZINC000330164855 945383087 /nfs/dbraw/zinc/38/30/87/945383087.db2.gz WKCHNDVQDHFKHX-UHFFFAOYSA-N 1 0 367.493 3.883 20 30 FHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)C1 ZINC000330254311 945426687 /nfs/dbraw/zinc/42/66/87/945426687.db2.gz JJGNOTAPLQCUES-CABCVRRESA-N 1 0 372.513 3.928 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000330255225 945427662 /nfs/dbraw/zinc/42/76/62/945427662.db2.gz JWGLZBXWCQXCCT-VQISRLSMSA-N 1 0 353.260 3.583 20 30 FHEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000330265055 945432575 /nfs/dbraw/zinc/43/25/75/945432575.db2.gz YSLLSYKFONTBQT-UKRRQHHQSA-N 1 0 374.510 3.821 20 30 FHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CCCOCC1)c1ccccc1O2 ZINC000330269628 945435267 /nfs/dbraw/zinc/43/52/67/945435267.db2.gz SDLNLMLACBFEEO-AEFFLSMTSA-N 1 0 358.482 3.748 20 30 FHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301274032 945463994 /nfs/dbraw/zinc/46/39/94/945463994.db2.gz RKZXQIGSSPVWKG-OAHLLOKOSA-N 1 0 372.419 3.772 20 30 FHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000519493510 945487846 /nfs/dbraw/zinc/48/78/46/945487846.db2.gz AZIWBQAYHMQNFQ-YZGWKJHDSA-N 1 0 356.514 3.588 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000473615610 945496431 /nfs/dbraw/zinc/49/64/31/945496431.db2.gz QHNNCTHVXIHICI-IFMALSPDSA-N 1 0 358.526 3.805 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000660801159 945514484 /nfs/dbraw/zinc/51/44/84/945514484.db2.gz ONOUKNBROOKBAW-WJMWBRGCSA-N 1 0 353.510 3.790 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3ccccc3)C2)cc1Cl ZINC000262019657 945568789 /nfs/dbraw/zinc/56/87/89/945568789.db2.gz XKHJNRGOQRAQDE-AWEZNQCLSA-N 1 0 358.873 3.602 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000660936789 945588518 /nfs/dbraw/zinc/58/85/18/945588518.db2.gz CHLXNKNLLHLZHJ-MSOLQXFVSA-N 1 0 356.514 3.605 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)CC1 ZINC000281360900 945612843 /nfs/dbraw/zinc/61/28/43/945612843.db2.gz PSQKHILLGZEAGX-UHFFFAOYSA-N 1 0 373.888 3.606 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000281371796 945617368 /nfs/dbraw/zinc/61/73/68/945617368.db2.gz TXUUXKUABVTMLB-HZPDHXFCSA-N 1 0 365.477 3.688 20 30 FHEDRO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000281499191 945664702 /nfs/dbraw/zinc/66/47/02/945664702.db2.gz ASQBRULOQSQPHC-QGZVFWFLSA-N 1 0 373.497 3.716 20 30 FHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)C1 ZINC000651698479 945719525 /nfs/dbraw/zinc/71/95/25/945719525.db2.gz SAROSYBNSWSULK-FXAWDEMLSA-N 1 0 356.510 3.563 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)c1ccccc1OC ZINC000661115024 945737356 /nfs/dbraw/zinc/73/73/56/945737356.db2.gz OHGNREWHMRQVRM-SJORKVTESA-N 1 0 351.512 3.584 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000661116754 945747956 /nfs/dbraw/zinc/74/79/56/945747956.db2.gz ZWEKGQXLTWEMJR-DNVCBOLYSA-N 1 0 374.506 3.970 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000661117388 945750070 /nfs/dbraw/zinc/75/00/70/945750070.db2.gz QMRNTRKALYDOLJ-HOTGVXAUSA-N 1 0 357.523 3.680 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000519808343 945774359 /nfs/dbraw/zinc/77/43/59/945774359.db2.gz JGFZMXBWUIRQGW-WMLDXEAASA-N 1 0 366.490 3.971 20 30 FHEDRO N#CC1CCC(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000281610884 945781441 /nfs/dbraw/zinc/78/14/41/945781441.db2.gz GWOISIRJFDXQAN-UHFFFAOYSA-N 1 0 368.525 3.528 20 30 FHEDRO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000120067216 945786759 /nfs/dbraw/zinc/78/67/59/945786759.db2.gz HPBYRWGMNBSOMY-KXBFYZLASA-N 1 0 350.865 3.782 20 30 FHEDRO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519850047 945819099 /nfs/dbraw/zinc/81/90/99/945819099.db2.gz LJPPLSJNIRFKFO-UYAOXDASSA-N 1 0 373.859 3.894 20 30 FHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)C1 ZINC000651750006 945830085 /nfs/dbraw/zinc/83/00/85/945830085.db2.gz RNCUSPSKNJRMRT-MDYRTPRTSA-N 1 0 355.482 3.861 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)CCC[NH2+]1 ZINC000662746243 945865232 /nfs/dbraw/zinc/86/52/32/945865232.db2.gz RMKUTGRJIVGQJQ-HXUWFJFHSA-N 1 0 353.422 3.519 20 30 FHEDRO COc1cc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1C#N ZINC000281848472 945880139 /nfs/dbraw/zinc/88/01/39/945880139.db2.gz YYRDHPAQQYYOKO-CQSZACIVSA-N 1 0 364.449 3.702 20 30 FHEDRO COC(=O)CCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281893432 945905683 /nfs/dbraw/zinc/90/56/83/945905683.db2.gz DXQWBTHQOMJSSR-UHFFFAOYSA-N 1 0 358.482 3.542 20 30 FHEDRO C=CCOc1ccccc1C[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000111405891 945942125 /nfs/dbraw/zinc/94/21/25/945942125.db2.gz GGKRHEIJHFNODO-UHFFFAOYSA-N 1 0 350.462 3.664 20 30 FHEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)C[C@@H]1COc2ccccc2O1 ZINC000281932269 945948881 /nfs/dbraw/zinc/94/88/81/945948881.db2.gz ICQYXNXKAOURJB-GOSISDBHSA-N 1 0 358.482 3.639 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCN(c3cc(Cl)ccc3OC)C2)ccc1C#N ZINC000440836541 945950067 /nfs/dbraw/zinc/95/00/67/945950067.db2.gz ZWMVTCOCJRNNSN-KRWDZBQOSA-N 1 0 371.868 3.597 20 30 FHEDRO CC(C)[C@H](CNCc1ccc(N(C)CCC#N)cc1)[NH+]1CCC(C)CC1 ZINC000236722207 946017521 /nfs/dbraw/zinc/01/75/21/946017521.db2.gz BYQBQCSHSXCWTR-QFIPXVFZSA-N 1 0 356.558 3.883 20 30 FHEDRO C=CC[C@@]1(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)CCC[NH2+]1 ZINC000662801518 946021061 /nfs/dbraw/zinc/02/10/61/946021061.db2.gz UNMCBMMLUSRQIB-SFHVURJKSA-N 1 0 352.400 3.552 20 30 FHEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000651822378 946024812 /nfs/dbraw/zinc/02/48/12/946024812.db2.gz UZUHABFRDOEUGK-AVRDEDQJSA-N 1 0 355.526 3.944 20 30 FHEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000236725992 946048082 /nfs/dbraw/zinc/04/80/82/946048082.db2.gz ALDIFHTVIMQFAA-LJQANCHMSA-N 1 0 372.509 3.825 20 30 FHEDRO C=CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000661383206 946049973 /nfs/dbraw/zinc/04/99/73/946049973.db2.gz ZIUNEFVWGCSTFM-AWEZNQCLSA-N 1 0 366.889 3.974 20 30 FHEDRO C=CC[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000661380081 946053234 /nfs/dbraw/zinc/05/32/34/946053234.db2.gz DRHXWFPVKORDCV-VQIMIIECSA-N 1 0 355.507 3.637 20 30 FHEDRO CCC(CC)[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC000045533355 946065756 /nfs/dbraw/zinc/06/57/56/946065756.db2.gz VXFJPESJTINHMI-FQEVSTJZSA-N 1 0 356.514 3.600 20 30 FHEDRO N#Cc1ccc(CCC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000075630876 946101543 /nfs/dbraw/zinc/10/15/43/946101543.db2.gz BYJOQJWBFQUBCV-JOCHJYFZSA-N 1 0 361.489 3.834 20 30 FHEDRO N#Cc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc2ccccc12 ZINC000522936098 946124723 /nfs/dbraw/zinc/12/47/23/946124723.db2.gz DYOVPTHVDGNGDO-IBGZPJMESA-N 1 0 356.473 3.505 20 30 FHEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000444251032 946127887 /nfs/dbraw/zinc/12/78/87/946127887.db2.gz PQRDWSDJTAWVKR-OAQYLSRUSA-N 1 0 362.477 3.790 20 30 FHEDRO C=CCCCN(C)C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000522945144 946142604 /nfs/dbraw/zinc/14/26/04/946142604.db2.gz PPOYCEFNRNUWFL-GOSISDBHSA-N 1 0 354.416 3.866 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000520132629 946162972 /nfs/dbraw/zinc/16/29/72/946162972.db2.gz KSGLRVRBYHOGGP-GBESFXJTSA-N 1 0 368.525 3.622 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](c2ccccc2)C1)C(C)C ZINC000520201136 946274770 /nfs/dbraw/zinc/27/47/70/946274770.db2.gz AUWKIFRQEJGIGW-SFTDATJTSA-N 1 0 355.526 3.884 20 30 FHEDRO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)cc1 ZINC000441202723 946313485 /nfs/dbraw/zinc/31/34/85/946313485.db2.gz GVCGMXHNRADENS-UNMCSNQZSA-N 1 0 361.489 3.820 20 30 FHEDRO C[C@](C#N)(NC(=O)C[N@@H+]1CCCCC[C@H]1/C=C/c1ccccc1)C1CC1 ZINC000441174868 946335603 /nfs/dbraw/zinc/33/56/03/946335603.db2.gz FEMVILIVSZJEAT-ZESOQVEJSA-N 1 0 351.494 3.753 20 30 FHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000141289523 946337006 /nfs/dbraw/zinc/33/70/06/946337006.db2.gz WDFVQWCTQSSMAM-INIZCTEOSA-N 1 0 350.466 3.570 20 30 FHEDRO Cc1nc2ccccc2nc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086480 946339437 /nfs/dbraw/zinc/33/94/37/946339437.db2.gz LTJNIKDLQDRMPK-UHFFFAOYSA-N 1 0 357.461 3.522 20 30 FHEDRO N#CCCn1cc(C[NH+]2CCC(F)(C3CC3)CC2)c(-c2ccncc2)n1 ZINC000896945988 946348430 /nfs/dbraw/zinc/34/84/30/946348430.db2.gz LLZTYEJEOKXEEF-UHFFFAOYSA-N 1 0 353.445 3.573 20 30 FHEDRO C[N@H+](CCC1CCCCC1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000101565601 946349673 /nfs/dbraw/zinc/34/96/73/946349673.db2.gz XBICQILWAQCOGT-UHFFFAOYSA-N 1 0 365.481 3.585 20 30 FHEDRO N#Cc1cccc(C2([NH2+]CC#Cc3ccccc3Cl)CCOCC2)c1 ZINC000595763806 946351375 /nfs/dbraw/zinc/35/13/75/946351375.db2.gz DCYNWHYSPFSSTL-UHFFFAOYSA-N 1 0 350.849 3.859 20 30 FHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441263921 946371152 /nfs/dbraw/zinc/37/11/52/946371152.db2.gz ZUWMLMUNRKQQIW-KSSFIOAISA-N 1 0 367.415 3.850 20 30 FHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@H](C[NH+](C)C)C2)c1Br ZINC000549557844 946376475 /nfs/dbraw/zinc/37/64/75/946376475.db2.gz RTMGRKCDHBPTMZ-CYBMUJFWSA-N 1 0 373.298 3.565 20 30 FHEDRO C=C(C)C[NH+]1CCC(N[C@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000652151164 946385414 /nfs/dbraw/zinc/38/54/14/946385414.db2.gz KURGWRHBVHQTHA-JOCHJYFZSA-N 1 0 351.494 3.810 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000127190046 946424352 /nfs/dbraw/zinc/42/43/52/946424352.db2.gz CNOXNOPYBWKPAV-HOTGVXAUSA-N 1 0 359.901 3.938 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC000896985751 946426948 /nfs/dbraw/zinc/42/69/48/946426948.db2.gz YFXDKQVWNFRSEN-AEFFLSMTSA-N 1 0 373.497 3.714 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(CNc2cc(C#N)c3ccccc3n2)cc1 ZINC000609891807 946494797 /nfs/dbraw/zinc/49/47/97/946494797.db2.gz VBVKMFHVYOIFDF-UHFFFAOYSA-N 1 0 374.488 3.861 20 30 FHEDRO COc1ncccc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905506 946504700 /nfs/dbraw/zinc/50/47/00/946504700.db2.gz UQQDSSYTMVWAMT-UHFFFAOYSA-N 1 0 359.429 3.831 20 30 FHEDRO Cc1[nH]nc2ncc(C[NH2+]C3CCC(Oc4ccccc4C#N)CC3)cc12 ZINC000520389377 946532442 /nfs/dbraw/zinc/53/24/42/946532442.db2.gz PYISGPQUJWOOGC-UHFFFAOYSA-N 1 0 361.449 3.618 20 30 FHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000441388117 946544553 /nfs/dbraw/zinc/54/45/53/946544553.db2.gz YZOSELUXTTXMBG-SFTDATJTSA-N 1 0 352.478 3.560 20 30 FHEDRO COc1cc2c(cc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)O[C@H](C)C2 ZINC000237292982 946550347 /nfs/dbraw/zinc/55/03/47/946550347.db2.gz NYRGOFXXQPKSBE-CABCVRRESA-N 1 0 352.434 3.599 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(=O)N2Cc3ccccc3C2)CC1 ZINC000475516177 946570381 /nfs/dbraw/zinc/57/03/81/946570381.db2.gz JVHHEVCDOSDGQZ-UHFFFAOYSA-N 1 0 359.473 3.523 20 30 FHEDRO CCn1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000473141683 946580385 /nfs/dbraw/zinc/58/03/85/946580385.db2.gz AKDLTVWPCDVARM-UHFFFAOYSA-N 1 0 373.504 3.636 20 30 FHEDRO Cc1nn(C)c(C)c1CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066904989 946585025 /nfs/dbraw/zinc/58/50/25/946585025.db2.gz TZYFITUZXZNOOG-UHFFFAOYSA-N 1 0 374.488 3.820 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[NH+]2CCCC2)o1 ZINC000475524804 946587646 /nfs/dbraw/zinc/58/76/46/946587646.db2.gz IFEACLNSUMFGHR-IBGZPJMESA-N 1 0 365.477 3.956 20 30 FHEDRO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C(C)(C)C ZINC000661755668 946591350 /nfs/dbraw/zinc/59/13/50/946591350.db2.gz OHAUQYCCKNZMQV-SFHVURJKSA-N 1 0 372.509 3.798 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)[NH+]2CCCC2)o1 ZINC000475527479 946600643 /nfs/dbraw/zinc/60/06/43/946600643.db2.gz NYVVSMQNWCSFTC-UXHICEINSA-N 1 0 365.477 3.929 20 30 FHEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000121393734 946655806 /nfs/dbraw/zinc/65/58/06/946655806.db2.gz XGOIYIIXTWSJHK-MAUKXSAKSA-N 1 0 351.425 3.904 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)C2(c3ccc(C)c(OC)c3)CCCC2)CC1 ZINC000170982711 946700383 /nfs/dbraw/zinc/70/03/83/946700383.db2.gz SYSXMANHVNGTFO-UHFFFAOYSA-N 1 0 356.510 3.582 20 30 FHEDRO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000136661898 946702937 /nfs/dbraw/zinc/70/29/37/946702937.db2.gz NNVYLKDCCBPCKV-YLZJTPGZSA-N 1 0 365.477 3.960 20 30 FHEDRO C[C@H](NC(=[NH2+])NC[C@@](C)(O)c1ccsc1)c1ccc(Cl)cc1Cl ZINC000262528088 946730007 /nfs/dbraw/zinc/73/00/07/946730007.db2.gz MBDIYYMSQMKZMX-MGPLVRAMSA-N 1 0 372.321 3.928 20 30 FHEDRO C[C@@H](NC(=[NH2+])NC[C@](C)(O)c1ccsc1)c1ccc(Cl)cc1Cl ZINC000262528086 946730375 /nfs/dbraw/zinc/73/03/75/946730375.db2.gz MBDIYYMSQMKZMX-HWPZZCPQSA-N 1 0 372.321 3.928 20 30 FHEDRO C[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867446 946743506 /nfs/dbraw/zinc/74/35/06/946743506.db2.gz AVPMNIZQQRMLHZ-QFIPXVFZSA-N 1 0 360.457 3.778 20 30 FHEDRO C=CCC1([NH2+]Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CCCC1 ZINC000661852290 946761151 /nfs/dbraw/zinc/76/11/51/946761151.db2.gz PHJIAHNRPIRFSB-UHFFFAOYSA-N 1 0 370.522 3.755 20 30 FHEDRO Cc1ccc(NC(=[NH2+])NCCOc2ccc(C(F)(F)F)cn2)cc1C ZINC000305058062 946808483 /nfs/dbraw/zinc/80/84/83/946808483.db2.gz FRAPQCGCSCVABQ-UHFFFAOYSA-N 1 0 352.360 3.523 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000473951506 946860701 /nfs/dbraw/zinc/86/07/01/946860701.db2.gz KSRYWRIBDUZJBP-WIYYLYMNSA-N 1 0 350.547 3.718 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)c1ccco1 ZINC000475316956 946881139 /nfs/dbraw/zinc/88/11/39/946881139.db2.gz IMKXKLDKRZFPSF-OALUTQOASA-N 1 0 353.466 3.866 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCC1 ZINC000438513048 946885903 /nfs/dbraw/zinc/88/59/03/946885903.db2.gz BVNBAEKISKUBRX-UHFFFAOYSA-N 1 0 367.424 3.704 20 30 FHEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000550386895 946908742 /nfs/dbraw/zinc/90/87/42/946908742.db2.gz OMYBAOFKPYFBBM-IBGZPJMESA-N 1 0 360.461 3.760 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000895041051 946922679 /nfs/dbraw/zinc/92/26/79/946922679.db2.gz FOVOHXHVMDOKBQ-AZUAARDMSA-N 1 0 356.514 3.795 20 30 FHEDRO N#C[C@@H](c1ccccc1)N1CC[NH+](CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001167785185 946927086 /nfs/dbraw/zinc/92/70/86/946927086.db2.gz RROCHDHJGHMQRR-LEWJYISDSA-N 1 0 353.510 3.608 20 30 FHEDRO Cc1csc([C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000328605597 946955134 /nfs/dbraw/zinc/95/51/34/946955134.db2.gz JTPFMXDTDYTSDE-PBHICJAKSA-N 1 0 364.559 3.856 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@H](c4ncc[nH]4)C3)CC2)CC1 ZINC000328644683 946963505 /nfs/dbraw/zinc/96/35/05/946963505.db2.gz GBXTWIYZXORPTE-VIQWUECVSA-N 1 0 373.545 3.546 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000328669437 946973832 /nfs/dbraw/zinc/97/38/32/946973832.db2.gz FEZXTVKMUUJNAK-XZEJUNMKSA-N 1 0 372.509 3.728 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182635771 946979735 /nfs/dbraw/zinc/97/97/35/946979735.db2.gz BDZVQYYWZVGOJV-PKOBYXMFSA-N 1 0 371.525 3.704 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)C[N@@H+]1Cc1ccccc1 ZINC000328693014 946990515 /nfs/dbraw/zinc/99/05/15/946990515.db2.gz CKBMEEMDUXTNNF-YZGWKJHDSA-N 1 0 371.525 3.502 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800487 947006507 /nfs/dbraw/zinc/00/65/07/947006507.db2.gz JPOSOWAUVWYHOD-LJQANCHMSA-N 1 0 351.475 3.677 20 30 FHEDRO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328807668 947029861 /nfs/dbraw/zinc/02/98/61/947029861.db2.gz MFFSGSVWPLCWGR-YGWPLHOASA-N 1 0 374.525 3.650 20 30 FHEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000328784742 947045579 /nfs/dbraw/zinc/04/55/79/947045579.db2.gz IJVXUNRZTZMGSK-TXPKVOOTSA-N 1 0 357.498 3.999 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000614808571 947055481 /nfs/dbraw/zinc/05/54/81/947055481.db2.gz NKOWBRJODSXFJT-OWCLPIDISA-N 1 0 364.449 3.945 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@H](C3CCOCC3)C2)c(C)c1 ZINC000328870955 947076336 /nfs/dbraw/zinc/07/63/36/947076336.db2.gz YDWDPRIJBGTVDC-WMZOPIPTSA-N 1 0 373.497 3.942 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnn(C)c2C2CC2)CC1 ZINC000328884783 947082138 /nfs/dbraw/zinc/08/21/38/947082138.db2.gz OAYWFWWXGJQYTD-OAHLLOKOSA-N 1 0 352.482 3.828 20 30 FHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)CC2)cc1 ZINC000328896630 947086838 /nfs/dbraw/zinc/08/68/38/947086838.db2.gz CETLKGRMORIVNQ-QFBILLFUSA-N 1 0 372.509 3.869 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC3CCCCCC3)cc2)CC1 ZINC000328899807 947087465 /nfs/dbraw/zinc/08/74/65/947087465.db2.gz XQYWARSXCSUZAB-UHFFFAOYSA-N 1 0 359.514 3.886 20 30 FHEDRO Cc1ccccc1-n1ccnc1SCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328906335 947102791 /nfs/dbraw/zinc/10/27/91/947102791.db2.gz BKCMHXBOBGEJRG-AEFFLSMTSA-N 1 0 370.522 3.856 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000328923379 947109980 /nfs/dbraw/zinc/10/99/80/947109980.db2.gz NCNIXNMAVXEUQH-MOPGFXCFSA-N 1 0 370.497 3.527 20 30 FHEDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC1CCCC1 ZINC000328922176 947110638 /nfs/dbraw/zinc/11/06/38/947110638.db2.gz MLDIWISBNXHREV-MSOLQXFVSA-N 1 0 358.482 3.948 20 30 FHEDRO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000330393442 947165245 /nfs/dbraw/zinc/16/52/45/947165245.db2.gz BZOZOYYZPBFNQN-UHFFFAOYSA-N 1 0 366.893 3.626 20 30 FHEDRO CCOC(=O)c1cc(C)sc1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000330405954 947168455 /nfs/dbraw/zinc/16/84/55/947168455.db2.gz QQSIZHWRZSROHO-JSGCOSHPSA-N 1 0 367.515 3.583 20 30 FHEDRO COc1cc(Br)cc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000330552320 947205607 /nfs/dbraw/zinc/20/56/07/947205607.db2.gz FSNDEUNWJNEHAY-UHFFFAOYSA-N 1 0 370.291 3.656 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2cc(Br)cc(OC)c2)CC1 ZINC000330575138 947218764 /nfs/dbraw/zinc/21/87/64/947218764.db2.gz QKVQCTZYNMJRCU-UHFFFAOYSA-N 1 0 370.291 3.658 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000662085337 947223834 /nfs/dbraw/zinc/22/38/34/947223834.db2.gz FAQFSVITVMDYME-KDURUIRLSA-N 1 0 362.477 3.871 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000662085317 947224255 /nfs/dbraw/zinc/22/42/55/947224255.db2.gz DHSKSSUCEVEZGN-HRCADAONSA-N 1 0 355.507 3.826 20 30 FHEDRO COc1ccc(C2([NH2+]Cc3cccc(C#N)c3F)CCOCC2)cc1F ZINC000444819923 947255261 /nfs/dbraw/zinc/25/52/61/947255261.db2.gz VJMQBEDUUYHVDN-UHFFFAOYSA-N 1 0 358.388 3.641 20 30 FHEDRO CCCNC(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1Cl ZINC000330885549 947292763 /nfs/dbraw/zinc/29/27/63/947292763.db2.gz LUWGUIQYOFNPEZ-CHWSQXEVSA-N 1 0 366.893 3.625 20 30 FHEDRO CCCNC(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1Cl ZINC000330885550 947292886 /nfs/dbraw/zinc/29/28/86/947292886.db2.gz LUWGUIQYOFNPEZ-OLZOCXBDSA-N 1 0 366.893 3.625 20 30 FHEDRO N#CC1(C[C@H](O)C[NH+]2Cc3ccccc3-c3ccccc3C2)CCOCC1 ZINC000599279966 947299611 /nfs/dbraw/zinc/29/96/11/947299611.db2.gz WLUQPSWWEDOLNB-FQEVSTJZSA-N 1 0 362.473 3.741 20 30 FHEDRO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000330925846 947321554 /nfs/dbraw/zinc/32/15/54/947321554.db2.gz HNHXLBNZPAZQKA-TZMCWYRMSA-N 1 0 350.532 3.664 20 30 FHEDRO CO[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000330934119 947322913 /nfs/dbraw/zinc/32/29/13/947322913.db2.gz HDTRLGCJCJYROR-KRWDZBQOSA-N 1 0 367.921 3.794 20 30 FHEDRO COc1cc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC000331013567 947332499 /nfs/dbraw/zinc/33/24/99/947332499.db2.gz WOYLWNBJUFBMGM-OAHLLOKOSA-N 1 0 363.502 3.690 20 30 FHEDRO Cc1nc(C(C)C)oc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000428383572 947349556 /nfs/dbraw/zinc/34/95/56/947349556.db2.gz VRCSDYLQLSABEB-UHFFFAOYSA-N 1 0 366.465 3.829 20 30 FHEDRO Cc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1C(=O)N(C)C(C)C ZINC000331152744 947358273 /nfs/dbraw/zinc/35/82/73/947358273.db2.gz OTLHZUKVBPNUAV-QGZVFWFLSA-N 1 0 374.529 3.676 20 30 FHEDRO CC(=O)Nc1cc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)ccc1C ZINC000331128186 947362300 /nfs/dbraw/zinc/36/23/00/947362300.db2.gz AALYOBZJGSMQIB-SFHVURJKSA-N 1 0 360.502 3.790 20 30 FHEDRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000331267592 947374265 /nfs/dbraw/zinc/37/42/65/947374265.db2.gz RLIKSHBFJORIMK-UHFFFAOYSA-N 1 0 352.635 3.566 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C ZINC000331276416 947374910 /nfs/dbraw/zinc/37/49/10/947374910.db2.gz IYHMROZFEBUSAE-NVXWUHKLSA-N 1 0 358.486 3.696 20 30 FHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccccc2OC(C)(C)C)CCSC1 ZINC000331279038 947376325 /nfs/dbraw/zinc/37/63/25/947376325.db2.gz JZCCKJOGKMTTOK-SFHVURJKSA-N 1 0 351.516 3.627 20 30 FHEDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc(Cl)c1O ZINC000331278391 947376844 /nfs/dbraw/zinc/37/68/44/947376844.db2.gz PGJPPEYZGPOCKU-CYBMUJFWSA-N 1 0 354.878 3.727 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C ZINC000331284157 947377418 /nfs/dbraw/zinc/37/74/18/947377418.db2.gz KLIRDWFQXYUFOR-JSGCOSHPSA-N 1 0 366.412 3.510 20 30 FHEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(Br)cc1 ZINC000840978528 947414679 /nfs/dbraw/zinc/41/46/79/947414679.db2.gz QJHYYHRIRPQSFS-OAHLLOKOSA-N 1 0 351.269 3.548 20 30 FHEDRO COc1cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc2c1OCCO2 ZINC000093872235 947427366 /nfs/dbraw/zinc/42/73/66/947427366.db2.gz VZRJLNMEZDJGOO-RBUKOAKNSA-N 1 0 364.445 3.738 20 30 FHEDRO COCCOc1ccccc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872397 947433005 /nfs/dbraw/zinc/43/30/05/947433005.db2.gz KLMWTIPIJSGVPY-SFTDATJTSA-N 1 0 350.462 3.984 20 30 FHEDRO C=CCC[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC001573334148 947449966 /nfs/dbraw/zinc/44/99/66/947449966.db2.gz KLARRXIMVATWPN-FQEVSTJZSA-N 1 0 363.465 3.933 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652604076 947460578 /nfs/dbraw/zinc/46/05/78/947460578.db2.gz UMBNFSLQKPBSMU-NLWGTHIKSA-N 1 0 357.498 3.555 20 30 FHEDRO CC[NH+]1CCC(Nc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440640769 947463290 /nfs/dbraw/zinc/46/32/90/947463290.db2.gz USZRGBXTFRREFY-UHFFFAOYSA-N 1 0 359.271 3.765 20 30 FHEDRO COc1cc(CNc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)ccc1C#N ZINC000440641156 947464513 /nfs/dbraw/zinc/46/45/13/947464513.db2.gz VGUHEWCLSRYIIX-CALCHBBNSA-N 1 0 365.477 3.788 20 30 FHEDRO C[NH+](C)[C@@H](CNc1c(C#N)cnc2c(Br)cccc21)C1CC1 ZINC000440652497 947481037 /nfs/dbraw/zinc/48/10/37/947481037.db2.gz YIOABOJBSANBAU-HNNXBMFYSA-N 1 0 359.271 3.621 20 30 FHEDRO C[C@H]1[C@@H](Nc2c(C#N)cnc3c(Br)cccc32)CCC[N@@H+]1C ZINC000440645199 947494362 /nfs/dbraw/zinc/49/43/62/947494362.db2.gz CUBXCDOZQPGZFY-NHYWBVRUSA-N 1 0 359.271 3.764 20 30 FHEDRO CC[NH+](CC)[C@@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440655649 947517275 /nfs/dbraw/zinc/51/72/75/947517275.db2.gz PQXICBPRZXBMTG-CQSZACIVSA-N 1 0 373.298 3.789 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1c(C)cc(-c2nn[nH]n2)cc1C ZINC001573341272 947528523 /nfs/dbraw/zinc/52/85/23/947528523.db2.gz JYKZHSRRZYVWPP-UHFFFAOYSA-N 1 0 363.465 3.680 20 30 FHEDRO C=CC[N@H+](CCCCC1(C#N)CCC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573341702 947534145 /nfs/dbraw/zinc/53/41/45/947534145.db2.gz OZGDBEBPRYXCIK-UHFFFAOYSA-N 1 0 350.470 3.719 20 30 FHEDRO C#CCN(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000162881285 947574041 /nfs/dbraw/zinc/57/40/41/947574041.db2.gz RIBCRLLHJYZETP-UHFFFAOYSA-N 1 0 373.928 3.892 20 30 FHEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000027775956 947653905 /nfs/dbraw/zinc/65/39/05/947653905.db2.gz VYJFMZGQEDDBDN-UHFFFAOYSA-N 1 0 362.429 3.940 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000189631830 947788447 /nfs/dbraw/zinc/78/84/47/947788447.db2.gz VZOPPUGTYHLHEK-QAPCUYQASA-N 1 0 373.415 3.833 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000189631798 947788744 /nfs/dbraw/zinc/78/87/44/947788744.db2.gz VZOPPUGTYHLHEK-YJBOKZPZSA-N 1 0 373.415 3.833 20 30 FHEDRO C=CC[C@@]1(C(=O)NCc2ccc(COCc3ccccc3)cc2)CCC[NH2+]1 ZINC000662481108 947850227 /nfs/dbraw/zinc/85/02/27/947850227.db2.gz VNYLJYOBKPUJMS-QHCPKHFHSA-N 1 0 364.489 3.718 20 30 FHEDRO CCCC(=O)c1ncccc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000663377025 947876807 /nfs/dbraw/zinc/87/68/07/947876807.db2.gz SAAJVHTVJPNAJA-UHFFFAOYSA-N 1 0 362.477 3.648 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCC[NH2+]1 ZINC000662567160 947907451 /nfs/dbraw/zinc/90/74/51/947907451.db2.gz BUWJWQUJRBQYKR-FUHWJXTLSA-N 1 0 369.292 3.592 20 30 FHEDRO CCCCCCCC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000105314577 948002876 /nfs/dbraw/zinc/00/28/76/948002876.db2.gz WPWDLCKXWKRROG-UHFFFAOYSA-N 1 0 359.514 3.683 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C)c(Br)c(F)c2)CC1 ZINC000417549246 948176876 /nfs/dbraw/zinc/17/68/76/948176876.db2.gz JKGWGMZOMAVQLZ-UHFFFAOYSA-N 1 0 370.266 3.669 20 30 FHEDRO COCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)c1ccccc1 ZINC000441520339 948193975 /nfs/dbraw/zinc/19/39/75/948193975.db2.gz COVSOVPWJOWBQL-INIZCTEOSA-N 1 0 362.433 3.818 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000585718624 948234566 /nfs/dbraw/zinc/23/45/66/948234566.db2.gz PANUJBLBDWWELZ-QHCPKHFHSA-N 1 0 364.489 3.641 20 30 FHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc3c[nH+]cn3c2)c1C#N ZINC000585738500 948246144 /nfs/dbraw/zinc/24/61/44/948246144.db2.gz FQRWAOAGZDHBTK-UHFFFAOYSA-N 1 0 355.401 3.866 20 30 FHEDRO Cc1ccccc1C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000585794478 948297608 /nfs/dbraw/zinc/29/76/08/948297608.db2.gz ZPGCNVYPSGABTO-JOCHJYFZSA-N 1 0 360.505 3.841 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cscc3C#N)cc2)C1 ZINC000432404322 948345487 /nfs/dbraw/zinc/34/54/87/948345487.db2.gz UTBPQLGNZLGCAG-HNNXBMFYSA-N 1 0 353.491 3.782 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000507787956 948418051 /nfs/dbraw/zinc/41/80/51/948418051.db2.gz WWUWEDXKFNIVQL-UHFFFAOYSA-N 1 0 358.486 3.779 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000585816124 948431999 /nfs/dbraw/zinc/43/19/99/948431999.db2.gz YFZVROYNKTXVKJ-HUUCEWRRSA-N 1 0 359.433 3.626 20 30 FHEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000571479967 948625528 /nfs/dbraw/zinc/62/55/28/948625528.db2.gz VNUZPGQKQMLHOR-HNNXBMFYSA-N 1 0 361.420 3.818 20 30 FHEDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1OCCCC#N ZINC000168986329 948642383 /nfs/dbraw/zinc/64/23/83/948642383.db2.gz OCGQPHFXEGPOSI-UIFIKXQLSA-N 1 0 370.493 3.815 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C12CCC2 ZINC000182104575 948700432 /nfs/dbraw/zinc/70/04/32/948700432.db2.gz DCTDDHMHGIYUMQ-WZOJCFFYSA-N 1 0 355.482 3.581 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C12CCC2 ZINC000182104613 948700680 /nfs/dbraw/zinc/70/06/80/948700680.db2.gz DCTDDHMHGIYUMQ-CSODTCANSA-N 1 0 355.482 3.581 20 30 FHEDRO N#CCCSc1ccccc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963054 567888066 /nfs/dbraw/zinc/88/80/66/567888066.db2.gz BSJJKINQMZISCZ-OAQYLSRUSA-N 1 0 367.518 3.741 20 30 FHEDRO C[NH+](C)CC1(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000602074580 567916866 /nfs/dbraw/zinc/91/68/66/567916866.db2.gz RIZMLWOVCFVIES-UHFFFAOYSA-N 1 0 363.461 3.612 20 30 FHEDRO C[C@@H](CCc1ccccc1F)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161704785 567964068 /nfs/dbraw/zinc/96/40/68/567964068.db2.gz JTERDYLOXVIIRK-INIZCTEOSA-N 1 0 352.457 3.672 20 30 FHEDRO Cc1cc(Cl)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000481464026 567966345 /nfs/dbraw/zinc/96/63/45/567966345.db2.gz LIUXLDPDNGCQEV-UHFFFAOYSA-N 1 0 355.869 3.724 20 30 FHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)CC3 ZINC000541847683 567977762 /nfs/dbraw/zinc/97/77/62/567977762.db2.gz NESXKXPRPLCMGD-MRXNPFEDSA-N 1 0 355.445 3.643 20 30 FHEDRO Cc1ccccc1CN1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602515938 567986654 /nfs/dbraw/zinc/98/66/54/567986654.db2.gz FBLRQGDRHCRVMK-LJQANCHMSA-N 1 0 355.526 3.648 20 30 FHEDRO COc1cccc(OC)c1Oc1ccc(C[NH2+]C[C@H](C)CCC#N)cn1 ZINC000602518374 567986874 /nfs/dbraw/zinc/98/68/74/567986874.db2.gz QNWVMQFNYHJEJQ-OAHLLOKOSA-N 1 0 355.438 3.921 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1cc(Br)ccc1F ZINC000602525617 567987697 /nfs/dbraw/zinc/98/76/97/567987697.db2.gz AXWIOYQZCJPZNC-ZDUSSCGKSA-N 1 0 369.278 3.819 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000602507035 567988833 /nfs/dbraw/zinc/98/88/33/567988833.db2.gz NQPQNTSYYYMFNW-SFHVURJKSA-N 1 0 355.526 3.512 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000602555080 567991157 /nfs/dbraw/zinc/99/11/57/567991157.db2.gz HAPYOLPCCBTQGB-CQSZACIVSA-N 1 0 351.288 3.984 20 30 FHEDRO COc1ccc(N(C(C)=O)c2nc(C[NH2+]CCCCC#N)cs2)cc1 ZINC000602541498 567993069 /nfs/dbraw/zinc/99/30/69/567993069.db2.gz PNVHAZLJTHSVFZ-UHFFFAOYSA-N 1 0 358.467 3.620 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000602587438 567994449 /nfs/dbraw/zinc/99/44/49/567994449.db2.gz GTQNOLMLHSCZLJ-OXQOHEQNSA-N 1 0 356.491 3.709 20 30 FHEDRO Cc1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c(OC[C@H]2CCCO2)c1 ZINC000602567552 567995832 /nfs/dbraw/zinc/99/58/32/567995832.db2.gz FPFCXYVODGEDJO-UYAOXDASSA-N 1 0 372.509 3.741 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000602625054 567999090 /nfs/dbraw/zinc/99/90/90/567999090.db2.gz WZQCEHWECVOAFW-FPOVZHCZSA-N 1 0 355.526 3.730 20 30 FHEDRO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C[C@@H](C)CCC#N ZINC000602597282 567999706 /nfs/dbraw/zinc/99/97/06/567999706.db2.gz AOJZRQDXOIWIBU-JXFKEZNVSA-N 1 0 352.482 3.802 20 30 FHEDRO Cc1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1Br ZINC000602631380 568001053 /nfs/dbraw/zinc/00/10/53/568001053.db2.gz TXGFFLLXVSNUOM-CQSZACIVSA-N 1 0 351.288 3.946 20 30 FHEDRO CN1CC[C@H]([NH2+]CC2(CC#N)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000602641844 568003158 /nfs/dbraw/zinc/00/31/58/568003158.db2.gz FTXGWNTVXXDJDR-IRXDYDNUSA-N 1 0 362.315 3.868 20 30 FHEDRO Cc1c(Br)cccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602703807 568017723 /nfs/dbraw/zinc/01/77/23/568017723.db2.gz BYMRNZCSQADXIS-CYBMUJFWSA-N 1 0 351.288 3.946 20 30 FHEDRO N#CC1(CCC[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000602923825 568017900 /nfs/dbraw/zinc/01/79/00/568017900.db2.gz GNNXMVIEYWIFAE-QGZVFWFLSA-N 1 0 354.853 3.593 20 30 FHEDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000602731062 568024935 /nfs/dbraw/zinc/02/49/35/568024935.db2.gz KAPLKMHWAHZLRR-UHFFFAOYSA-N 1 0 373.500 3.945 20 30 FHEDRO N#CCC1(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)CC1 ZINC000602795004 568034981 /nfs/dbraw/zinc/03/49/81/568034981.db2.gz QNIQPFGSUZYPJY-UHFFFAOYSA-N 1 0 351.494 3.583 20 30 FHEDRO N#CC1(CCC[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)CCOCC1 ZINC000602811075 568041969 /nfs/dbraw/zinc/04/19/69/568041969.db2.gz JXFLTGCKFNDCGR-LJQANCHMSA-N 1 0 366.509 3.849 20 30 FHEDRO N#CC(CCn1cc([C@@H]2CCC[NH2+]C2)nn1)(c1ccccc1)c1ccccc1 ZINC000603176848 568068101 /nfs/dbraw/zinc/06/81/01/568068101.db2.gz BXJVUQGNXVSIMX-LJQANCHMSA-N 1 0 371.488 3.645 20 30 FHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000067249253 568072209 /nfs/dbraw/zinc/07/22/09/568072209.db2.gz RKELKQBKXVVYLM-UHFFFAOYSA-N 1 0 360.457 3.751 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCNC(=O)c1cccs1 ZINC000481664885 568081062 /nfs/dbraw/zinc/08/10/62/568081062.db2.gz PWVRPQZWOPWGAG-GOSISDBHSA-N 1 0 353.491 3.797 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000481659610 568081476 /nfs/dbraw/zinc/08/14/76/568081476.db2.gz RIORQIAZXPDSMD-RDTXWAMCSA-N 1 0 352.413 3.654 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2cccc(OC)c2o1)C(C)C ZINC000603287891 568083022 /nfs/dbraw/zinc/08/30/22/568083022.db2.gz ROMYSVFISWHOBI-KRWDZBQOSA-N 1 0 356.466 3.870 20 30 FHEDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481678025 568085775 /nfs/dbraw/zinc/08/57/75/568085775.db2.gz OTGUBWYTVQXBFB-IBGZPJMESA-N 1 0 351.450 3.637 20 30 FHEDRO CN(CCCC[NH+]1CCCCC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000603431057 568097035 /nfs/dbraw/zinc/09/70/35/568097035.db2.gz JXLGHTMSFXKBNA-HXUWFJFHSA-N 1 0 356.514 3.939 20 30 FHEDRO CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568636747 568103252 /nfs/dbraw/zinc/10/32/52/568103252.db2.gz AXZADQHLSGCRME-HXUWFJFHSA-N 1 0 364.449 3.563 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)c1ccc(C#N)cc1 ZINC000568655218 568107956 /nfs/dbraw/zinc/10/79/56/568107956.db2.gz MPGYLJLBZUGDDJ-INIZCTEOSA-N 1 0 365.481 3.624 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCC4(CCCO4)CC3)C2)c(F)c1 ZINC000568706013 568132356 /nfs/dbraw/zinc/13/23/56/568132356.db2.gz SZKPRSMGGZSGDS-IDYZSHNDSA-N 1 0 357.473 3.748 20 30 FHEDRO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000481832192 568138466 /nfs/dbraw/zinc/13/84/66/568138466.db2.gz OFHZCSSDXMWDIB-UHFFFAOYSA-N 1 0 367.880 3.707 20 30 FHEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603843041 568155349 /nfs/dbraw/zinc/15/53/49/568155349.db2.gz RKGKYHQVSMBFRL-DNVCBOLYSA-N 1 0 358.869 3.839 20 30 FHEDRO N#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000481897745 568160671 /nfs/dbraw/zinc/16/06/71/568160671.db2.gz UMZVAKVCGVUEGA-PKOBYXMFSA-N 1 0 365.502 3.746 20 30 FHEDRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000603888356 568177157 /nfs/dbraw/zinc/17/71/57/568177157.db2.gz UWJHULGZHHJKCG-LLVKDONJSA-N 1 0 372.321 3.578 20 30 FHEDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181912496 568178348 /nfs/dbraw/zinc/17/83/48/568178348.db2.gz BRTLPNCCOZTFFX-MBSDFSHPSA-N 1 0 363.505 3.624 20 30 FHEDRO CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481915889 568182417 /nfs/dbraw/zinc/18/24/17/568182417.db2.gz FSNXOTDWAXPJNL-OAQYLSRUSA-N 1 0 368.502 3.660 20 30 FHEDRO CN(C(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1)C1(C#N)CCCCC1 ZINC000303241871 568262370 /nfs/dbraw/zinc/26/23/70/568262370.db2.gz KDBNWPUZSAPRGW-UHFFFAOYSA-N 1 0 359.901 3.994 20 30 FHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccco1 ZINC000569040839 568278301 /nfs/dbraw/zinc/27/83/01/568278301.db2.gz JYGJSCDBAPCAAE-CRAIPNDOSA-N 1 0 371.506 3.630 20 30 FHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccco1 ZINC000569040842 568278329 /nfs/dbraw/zinc/27/83/29/568278329.db2.gz JYGJSCDBAPCAAE-YJBOKZPZSA-N 1 0 371.506 3.630 20 30 FHEDRO N#CCN1CCC(Nc2cc[nH+]c3ccc(Oc4ccccc4)cc23)CC1 ZINC000617950178 568309764 /nfs/dbraw/zinc/30/97/64/568309764.db2.gz IYCLXLJHKFHZHI-UHFFFAOYSA-N 1 0 358.445 3.849 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)ccc1OC ZINC000604768519 568362609 /nfs/dbraw/zinc/36/26/09/568362609.db2.gz RVCDSNZTJPOWHA-FXAWDEMLSA-N 1 0 355.478 3.904 20 30 FHEDRO N#Cc1ccc(CCC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000569951632 568444210 /nfs/dbraw/zinc/44/42/10/568444210.db2.gz HXPQCIRYCQDDJT-NRFANRHFSA-N 1 0 353.510 3.652 20 30 FHEDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)n2c3ccccc3nc2c1C#N ZINC000570232624 568463852 /nfs/dbraw/zinc/46/38/52/568463852.db2.gz BIDYKPVQMIBLOJ-VQIMIIECSA-N 1 0 359.477 3.731 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)CC2)cc1 ZINC000182027181 568558573 /nfs/dbraw/zinc/55/85/73/568558573.db2.gz MYXNGOVHBBQLFX-VXNXHJTFSA-N 1 0 357.501 3.698 20 30 FHEDRO COc1ccc([C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 ZINC000182053105 568701631 /nfs/dbraw/zinc/70/16/31/568701631.db2.gz ZJCCYSRWSFVWQM-NRFANRHFSA-N 1 0 351.450 3.882 20 30 FHEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)ccc1F ZINC000225537044 571161199 /nfs/dbraw/zinc/16/11/99/571161199.db2.gz VPHQWDDJRXMPHU-LBPRGKRZSA-N 1 0 352.335 3.819 20 30 FHEDRO C=CCOc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1Cl ZINC000819758798 599457726 /nfs/dbraw/zinc/45/77/26/599457726.db2.gz HNXVTWKBSZXWCT-UHFFFAOYSA-N 1 0 373.819 3.514 20 30 FHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820092174 607059712 /nfs/dbraw/zinc/05/97/12/607059712.db2.gz IIYBNICYPKUHDL-UHFFFAOYSA-N 1 0 364.428 3.536 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000826387017 608310979 /nfs/dbraw/zinc/31/09/79/608310979.db2.gz CFGHPRODKKECNK-UHFFFAOYSA-N 1 0 372.457 3.757 20 30 FHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164421289 718892372 /nfs/dbraw/zinc/89/23/72/718892372.db2.gz WUXCCYJGDFMLKQ-HNNXBMFYSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4C[C@]4([NH3+])C3)cnc2Cl)c1 ZINC001164422920 718897522 /nfs/dbraw/zinc/89/75/22/718897522.db2.gz YYROYQGAIYYTJJ-KDOFPFPSSA-N 1 0 374.822 3.746 20 30 FHEDRO N#Cc1c(Cl)ccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623662 719065708 /nfs/dbraw/zinc/06/57/08/719065708.db2.gz KGIJKXXIAYDHJN-LPHOPBHVSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049401 721971066 /nfs/dbraw/zinc/97/10/66/721971066.db2.gz RZIIRHAQUZUDNR-HNNXBMFYSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ccc1Cl ZINC001164995900 722193545 /nfs/dbraw/zinc/19/35/45/722193545.db2.gz ZGENLHVVUIRNER-FQEVSTJZSA-N 1 0 370.859 3.991 20 30 FHEDRO Cc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1C#N ZINC001164995692 722204495 /nfs/dbraw/zinc/20/44/95/722204495.db2.gz PKGPWDSZBOWMBI-OAQYLSRUSA-N 1 0 350.441 3.646 20 30 FHEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000582965022 936326428 /nfs/dbraw/zinc/32/64/28/936326428.db2.gz VUDSCRRLXIHLHD-ZDUSSCGKSA-N 1 0 351.841 3.980 20 30 FHEDRO N#Cc1ccsc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000052028886 936344285 /nfs/dbraw/zinc/34/42/85/936344285.db2.gz VDHDXHUQRFPAPJ-INIZCTEOSA-N 1 0 359.882 3.840 20 30 FHEDRO C#Cc1cccc(N(C)C(=O)c2ccc(OCC[NH+](CC)CC)cc2)c1 ZINC000728536444 936372312 /nfs/dbraw/zinc/37/23/12/936372312.db2.gz CKPNXYKDKZIFNA-UHFFFAOYSA-N 1 0 350.462 3.665 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000238163172 937103236 /nfs/dbraw/zinc/10/32/36/937103236.db2.gz XPTOBXPOJVDXRE-UHFFFAOYSA-N 1 0 362.473 3.615 20 30 FHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3-c3ccccc3C#N)CC[C@H]21 ZINC000247961450 937124439 /nfs/dbraw/zinc/12/44/39/937124439.db2.gz GHKDHUJYVUPGBQ-PGRDOPGGSA-N 1 0 359.473 3.782 20 30 FHEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000577522090 927132071 /nfs/dbraw/zinc/13/20/71/927132071.db2.gz WDKKFIWDBGPEMY-QGZVFWFLSA-N 1 0 360.820 3.775 20 30 FHEDRO C=CCN1CC[C@@H]([N@H+](Cc2cccs2)C2Cc3ccccc3C2)C1=O ZINC000579724288 927190617 /nfs/dbraw/zinc/19/06/17/927190617.db2.gz KFRBIRQCYFBARG-HXUWFJFHSA-N 1 0 352.503 3.504 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(C#N)n2)C1 ZINC000577607899 927315681 /nfs/dbraw/zinc/31/56/81/927315681.db2.gz IHONNQIPRNUWBU-INIZCTEOSA-N 1 0 363.465 3.507 20 30 FHEDRO C[C@H]1C[NH+](CC2CCN(Cc3ccc(Cl)cc3C#N)CC2)C[C@H](C)O1 ZINC000186927972 927576399 /nfs/dbraw/zinc/57/63/99/927576399.db2.gz GZLLWKXKPZVDJE-HOTGVXAUSA-N 1 0 361.917 3.533 20 30 FHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1-n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001167059633 927752812 /nfs/dbraw/zinc/75/28/12/927752812.db2.gz GKEZUKSJMHBUOL-LLVKDONJSA-N 1 0 355.804 3.552 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(CCC)cc1 ZINC000274751723 927884540 /nfs/dbraw/zinc/88/45/40/927884540.db2.gz HPXWUZVDLNTCJF-UHFFFAOYSA-O 1 0 374.530 3.860 20 30 FHEDRO N#Cc1cc(C(F)(F)N2CC3(CC[NH2+]CC3)c3ccccc32)cc(Cl)n1 ZINC001167071105 928220902 /nfs/dbraw/zinc/22/09/02/928220902.db2.gz VEULRGGBRAWPTP-UHFFFAOYSA-N 1 0 374.822 3.797 20 30 FHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167071198 928221607 /nfs/dbraw/zinc/22/16/07/928221607.db2.gz WCZXHBXOCCFIJR-UHFFFAOYSA-N 1 0 374.822 3.797 20 30 FHEDRO C[N@H+](Cc1ccc(Cl)cc1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000274773824 928225464 /nfs/dbraw/zinc/22/54/64/928225464.db2.gz IILDUAZVRCGVEF-UHFFFAOYSA-N 1 0 367.880 3.948 20 30 FHEDRO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000535962186 937242594 /nfs/dbraw/zinc/24/25/94/937242594.db2.gz BURQGZZJCWUUPQ-MRXNPFEDSA-N 1 0 366.461 3.807 20 30 FHEDRO N#Cc1ccccc1/C=C\C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000254941644 928424425 /nfs/dbraw/zinc/42/44/25/928424425.db2.gz YYGLAQOFAPGDPZ-DOOKAGJSSA-N 1 0 365.502 3.661 20 30 FHEDRO C[C@@H](O)C[N@H+](Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000583222040 937250326 /nfs/dbraw/zinc/25/03/26/937250326.db2.gz VJCXRYVBJNFDKB-CYBMUJFWSA-N 1 0 351.288 3.836 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471173666 928554533 /nfs/dbraw/zinc/55/45/33/928554533.db2.gz SXJPCKIZRSMHTF-HXUWFJFHSA-N 1 0 365.477 3.546 20 30 FHEDRO N#Cc1cccc(CCC[N@H+]2CCc3ncc(Br)cc3C2)c1 ZINC001208853496 928781191 /nfs/dbraw/zinc/78/11/91/928781191.db2.gz OFTMQWSDRWQAPT-UHFFFAOYSA-N 1 0 356.267 3.707 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)cc1 ZINC000187177624 928955181 /nfs/dbraw/zinc/95/51/81/928955181.db2.gz BTQHERXICNZCIA-IBGZPJMESA-N 1 0 363.461 3.526 20 30 FHEDRO COc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1OCCCC#N ZINC000179771864 929020416 /nfs/dbraw/zinc/02/04/16/929020416.db2.gz DMZKXBZNDVKQOJ-UHFFFAOYSA-N 1 0 371.525 3.828 20 30 FHEDRO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000134870678 929464967 /nfs/dbraw/zinc/46/49/67/929464967.db2.gz YCOLJDJMPGVSJJ-FQEVSTJZSA-N 1 0 370.468 3.932 20 30 FHEDRO C[C@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187212556 929555580 /nfs/dbraw/zinc/55/55/80/929555580.db2.gz ZFTJKUHRBCSWFH-HRAATJIYSA-N 1 0 367.518 3.599 20 30 FHEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)c1 ZINC000560175171 929637551 /nfs/dbraw/zinc/63/75/51/929637551.db2.gz NXSRITHQISHHDG-GOSISDBHSA-N 1 0 369.827 3.735 20 30 FHEDRO Cc1ccnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000579970033 929687870 /nfs/dbraw/zinc/68/78/70/929687870.db2.gz XKZZKVJEYPIPNF-RTBURBONSA-N 1 0 362.477 3.515 20 30 FHEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)cc1OC ZINC000560255103 929696139 /nfs/dbraw/zinc/69/61/39/929696139.db2.gz FIBAEIQBGJIJGE-HNNXBMFYSA-N 1 0 364.449 3.854 20 30 FHEDRO COCCn1cc2c(n1)[C@H]([NH2+][C@H]1CCCCc3cc(C#N)ccc31)CCC2 ZINC000578938166 929741774 /nfs/dbraw/zinc/74/17/74/929741774.db2.gz OGIPODZNIAIBRB-LEWJYISDSA-N 1 0 364.493 3.836 20 30 FHEDRO COc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1Cl ZINC000412041505 929759346 /nfs/dbraw/zinc/75/93/46/929759346.db2.gz MZJOFZIJZVTPDB-CYBMUJFWSA-N 1 0 357.841 3.679 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000583354499 937373012 /nfs/dbraw/zinc/37/30/12/937373012.db2.gz VHMAJWXEVKFUHB-UHFFFAOYSA-N 1 0 368.437 3.799 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1Cl ZINC000657755298 937371561 /nfs/dbraw/zinc/37/15/61/937371561.db2.gz QVETWOLIHOHYRC-OAHLLOKOSA-N 1 0 350.890 3.641 20 30 FHEDRO CCCn1nc(C)c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1C ZINC000134103920 930037954 /nfs/dbraw/zinc/03/79/54/930037954.db2.gz FKJNIRJLEYPTRS-SFHVURJKSA-N 1 0 369.488 3.679 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C#N)c1 ZINC000610343796 930043683 /nfs/dbraw/zinc/04/36/83/930043683.db2.gz SMTAHAGMSYINEU-NEPJUHHUSA-N 1 0 372.812 3.798 20 30 FHEDRO CCOc1c(OC)cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000579291922 930050098 /nfs/dbraw/zinc/05/00/98/930050098.db2.gz NYUQQBWGUDTKNN-SFHVURJKSA-N 1 0 352.434 3.751 20 30 FHEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1=O ZINC000610346468 930056595 /nfs/dbraw/zinc/05/65/95/930056595.db2.gz VKQXFDKWTONACB-DNVCBOLYSA-N 1 0 351.425 3.852 20 30 FHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000580038586 930096073 /nfs/dbraw/zinc/09/60/73/930096073.db2.gz AKUHRKTURPSSIZ-WMQCIHAUSA-N 1 0 371.525 3.594 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000610352653 930096973 /nfs/dbraw/zinc/09/69/73/930096973.db2.gz HYZFHCQDCONZDH-VQIMIIECSA-N 1 0 366.465 3.657 20 30 FHEDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000610372057 930178285 /nfs/dbraw/zinc/17/82/85/930178285.db2.gz XENBZRZMPQWTKP-PBEJRMEISA-N 1 0 368.477 3.867 20 30 FHEDRO C[C@H]([NH2+]C1(CNCc2cc(C#N)cs2)CCOCC1)c1ccccc1 ZINC000177704581 930227874 /nfs/dbraw/zinc/22/78/74/930227874.db2.gz RQIMPNVNPRRBIP-INIZCTEOSA-N 1 0 355.507 3.609 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000050025686 930358841 /nfs/dbraw/zinc/35/88/41/930358841.db2.gz WCSNBSPSSPRGIE-UHFFFAOYSA-N 1 0 366.436 3.579 20 30 FHEDRO O=C(C[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)NCc1ccc(F)cc1 ZINC000580308534 930467289 /nfs/dbraw/zinc/46/72/89/930467289.db2.gz JZQQKUCXVPMZMQ-OAQYLSRUSA-N 1 0 364.464 3.596 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610424051 930500884 /nfs/dbraw/zinc/50/08/84/930500884.db2.gz VUNKHBXUVWTIAG-GASCZTMLSA-N 1 0 350.422 3.557 20 30 FHEDRO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)sc1C ZINC000328711286 930501377 /nfs/dbraw/zinc/50/13/77/930501377.db2.gz NBIXMNOSUNHQCG-LNWTYNMOSA-N 1 0 365.543 3.998 20 30 FHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)CC1CCCCC1)c1cccc(C#N)c1 ZINC000074918104 930592076 /nfs/dbraw/zinc/59/20/76/930592076.db2.gz HZXQBATTWHPHPX-KRWDZBQOSA-N 1 0 356.514 3.773 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000119096647 930661147 /nfs/dbraw/zinc/66/11/47/930661147.db2.gz WTBVQYZJRSHTOE-IBGZPJMESA-N 1 0 357.461 3.729 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1Cl ZINC000580449911 930691209 /nfs/dbraw/zinc/69/12/09/930691209.db2.gz BCBSFZDTILVKSR-SFHVURJKSA-N 1 0 362.901 3.641 20 30 FHEDRO Cc1csc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1C#N ZINC000580539557 930827472 /nfs/dbraw/zinc/82/74/72/930827472.db2.gz YSXXOOZIDXMUGZ-CQSZACIVSA-N 1 0 369.494 3.670 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C)C(C)C ZINC000471600022 930904604 /nfs/dbraw/zinc/90/46/04/930904604.db2.gz YTWVDSGMYODVHE-OWCLPIDISA-N 1 0 361.452 3.667 20 30 FHEDRO FC1(F)[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941464 930969796 /nfs/dbraw/zinc/96/97/96/930969796.db2.gz BXGRPONAKFZFEU-LPEHRKFASA-N 1 0 367.280 3.658 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001125461512 930981257 /nfs/dbraw/zinc/98/12/57/930981257.db2.gz SPLQAOFLLDXSKA-SFHVURJKSA-N 1 0 350.422 3.557 20 30 FHEDRO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000126310557 931059298 /nfs/dbraw/zinc/05/92/98/931059298.db2.gz ARHYJIREDIDWCL-KRWDZBQOSA-N 1 0 367.880 3.506 20 30 FHEDRO CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000175839078 931089627 /nfs/dbraw/zinc/08/96/27/931089627.db2.gz NDEHTQWQCAXSEV-SFHVURJKSA-N 1 0 365.502 3.876 20 30 FHEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000247292369 931095618 /nfs/dbraw/zinc/09/56/18/931095618.db2.gz GNIZCKUBJQAVAM-IIBYNOLFSA-N 1 0 363.461 3.763 20 30 FHEDRO C[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000579843344 931111206 /nfs/dbraw/zinc/11/12/06/931111206.db2.gz CIRPAEDIEJXCAX-KRWDZBQOSA-N 1 0 364.449 3.563 20 30 FHEDRO C[C@@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000610461689 931149415 /nfs/dbraw/zinc/14/94/15/931149415.db2.gz CSXTYIRFOBNBKN-ZWKOTPCHSA-N 1 0 364.493 3.829 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000068884496 931164973 /nfs/dbraw/zinc/16/49/73/931164973.db2.gz GLSWTOICXZGXKO-LJQANCHMSA-N 1 0 368.525 3.910 20 30 FHEDRO COc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(OC)c1 ZINC000160642839 931173965 /nfs/dbraw/zinc/17/39/65/931173965.db2.gz FFSCDLUUAYYRQK-UHFFFAOYSA-N 1 0 369.343 3.529 20 30 FHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(-n2cncn2)cc1 ZINC000177823539 931232916 /nfs/dbraw/zinc/23/29/16/931232916.db2.gz QIJNISLLDJKLCT-INIZCTEOSA-N 1 0 363.490 3.723 20 30 FHEDRO N#Cc1nnc2ccccc2c1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000077192288 931332575 /nfs/dbraw/zinc/33/25/75/931332575.db2.gz NDFHIXXVYQSQIM-UHFFFAOYSA-N 1 0 361.424 3.717 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160738917 931472395 /nfs/dbraw/zinc/47/23/95/931472395.db2.gz PKDXZXSKUASAKW-AWEZNQCLSA-N 1 0 353.919 3.583 20 30 FHEDRO CCc1noc(CC)c1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160752256 931541470 /nfs/dbraw/zinc/54/14/70/931541470.db2.gz WTWDHFULVXDNDF-UHFFFAOYSA-N 1 0 356.348 3.625 20 30 FHEDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000610476895 931556555 /nfs/dbraw/zinc/55/65/55/931556555.db2.gz RIQLSHZQUMXVLU-BUVFEPMLSA-N 1 0 368.452 3.715 20 30 FHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000581160654 931623961 /nfs/dbraw/zinc/62/39/61/931623961.db2.gz PAMLCDSPVQWWNA-UHFFFAOYSA-N 1 0 359.543 3.812 20 30 FHEDRO Cc1c(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000561314331 931695001 /nfs/dbraw/zinc/69/50/01/931695001.db2.gz FYSKUODJUCJHMF-UHFFFAOYSA-N 1 0 350.422 3.534 20 30 FHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(F)c(F)cc1OC)CC2 ZINC001143389845 931709485 /nfs/dbraw/zinc/70/94/85/931709485.db2.gz NBGODZYMDYWZTP-HXUWFJFHSA-N 1 0 364.436 3.507 20 30 FHEDRO O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000328768239 931738744 /nfs/dbraw/zinc/73/87/44/931738744.db2.gz HZDLCRBRVNTCPZ-UHFFFAOYSA-N 1 0 372.513 3.899 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581339814 931856369 /nfs/dbraw/zinc/85/63/69/931856369.db2.gz PNZXVJXELYQKQI-LEWJYISDSA-N 1 0 374.488 3.853 20 30 FHEDRO C=CC[S@](=O)(=NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000891379160 931965158 /nfs/dbraw/zinc/96/51/58/931965158.db2.gz BLSJNYHBZYDXGL-RUZDIDTESA-N 1 0 356.491 3.644 20 30 FHEDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000581421812 932024705 /nfs/dbraw/zinc/02/47/05/932024705.db2.gz FGBABFNEPNPMIL-GHTZIAJQSA-N 1 0 366.509 3.979 20 30 FHEDRO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C1CC1)C1CC1 ZINC000050989476 932074960 /nfs/dbraw/zinc/07/49/60/932074960.db2.gz CRRZMZPVVHAXJV-UHFFFAOYSA-N 1 0 357.523 3.948 20 30 FHEDRO C[C@@H]([NH2+]CCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(C#N)c1 ZINC000561479630 932179918 /nfs/dbraw/zinc/17/99/18/932179918.db2.gz NGKMVEDEKYWLPJ-QGZVFWFLSA-N 1 0 368.912 3.684 20 30 FHEDRO C=CCn1c(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC000581517103 932194943 /nfs/dbraw/zinc/19/49/43/932194943.db2.gz OJBUWBZLOWMYRN-GOSISDBHSA-N 1 0 367.541 3.862 20 30 FHEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000477188117 932379602 /nfs/dbraw/zinc/37/96/02/932379602.db2.gz MWURXEJNWRBDDQ-FCHUYYIVSA-N 1 0 361.489 3.833 20 30 FHEDRO COc1ccc(CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1OCCCC#N ZINC000093102615 932618968 /nfs/dbraw/zinc/61/89/68/932618968.db2.gz USVRADQKXVVZGT-KRWDZBQOSA-N 1 0 374.481 3.684 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908682 932735938 /nfs/dbraw/zinc/73/59/38/932735938.db2.gz SMKYBCYBGFRTRV-QGZVFWFLSA-N 1 0 357.454 3.795 20 30 FHEDRO CC(C)(C#N)C(=O)N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001143399574 932778026 /nfs/dbraw/zinc/77/80/26/932778026.db2.gz SRSMENGHOJJUID-UHFFFAOYSA-N 1 0 373.500 3.860 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000581896541 932913927 /nfs/dbraw/zinc/91/39/27/932913927.db2.gz ISBJTPHZZSHRNJ-UHFFFAOYSA-N 1 0 355.935 3.831 20 30 FHEDRO C[C@H](C(=O)NCC(C)(C)CCC#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000588770465 932957343 /nfs/dbraw/zinc/95/73/43/932957343.db2.gz SHLFKANMRHFICI-GOSISDBHSA-N 1 0 355.526 3.776 20 30 FHEDRO N#CCC1(CNC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000430688408 932960916 /nfs/dbraw/zinc/96/09/16/932960916.db2.gz XIOGHBAXJSDSCA-GOSISDBHSA-N 1 0 374.916 3.688 20 30 FHEDRO N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000178295575 933070050 /nfs/dbraw/zinc/07/00/50/933070050.db2.gz NKGZJTOKXDARIW-GOTSBHOMSA-N 1 0 373.500 3.614 20 30 FHEDRO COc1ccc(NC(=O)C2([NH2+]CCCC(C)(C)C#N)CCCC2)cc1OC ZINC000085938623 933081093 /nfs/dbraw/zinc/08/10/93/933081093.db2.gz LKCAMXWTYCCNGV-UHFFFAOYSA-N 1 0 373.497 3.875 20 30 FHEDRO CN(C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000178316605 933130277 /nfs/dbraw/zinc/13/02/77/933130277.db2.gz QDUBHBWXQOBLDU-SFHVURJKSA-N 1 0 373.497 3.516 20 30 FHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1)[NH+](C)C ZINC000510546054 933198296 /nfs/dbraw/zinc/19/82/96/933198296.db2.gz MPDJMLJUXGQQJJ-LAUBAEHRSA-N 1 0 361.489 3.706 20 30 FHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000510606244 933271163 /nfs/dbraw/zinc/27/11/63/933271163.db2.gz OVUNUTIICKAYGP-UHFFFAOYSA-N 1 0 371.529 3.845 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000430836385 933297590 /nfs/dbraw/zinc/29/75/90/933297590.db2.gz IYTFZWIDNXEACW-PKOBYXMFSA-N 1 0 359.539 3.667 20 30 FHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC4(CCC4)C3)sc2C1 ZINC000468120921 933386666 /nfs/dbraw/zinc/38/66/66/933386666.db2.gz MXBNXJQCWBXTPV-CQSZACIVSA-N 1 0 357.523 3.949 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CN1C(=O)CN([C@H](C)c2ccccc2)C1=O)C(C)C ZINC000430906910 933391226 /nfs/dbraw/zinc/39/12/26/933391226.db2.gz OUQHWEOLVFTGJC-UYAOXDASSA-N 1 0 369.509 3.710 20 30 FHEDRO CCC1([NH+]2CCC2)CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000924385865 933861822 /nfs/dbraw/zinc/86/18/22/933861822.db2.gz JQMJMYPEHKCWDV-UHFFFAOYSA-N 1 0 366.292 3.956 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000610714392 933891297 /nfs/dbraw/zinc/89/12/97/933891297.db2.gz MQKONVMEDUZDEO-YLJYHZDGSA-N 1 0 372.472 3.558 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000891895105 933921659 /nfs/dbraw/zinc/92/16/59/933921659.db2.gz BRCKUPIUTZWYLM-IBGZPJMESA-N 1 0 368.506 3.598 20 30 FHEDRO CCN(Cc1cc(Br)c2c(c1)OCCCO2)C[C@@H](C)C#N ZINC000091982325 933931724 /nfs/dbraw/zinc/93/17/24/933931724.db2.gz ZKUFQOYPDQAUKQ-LBPRGKRZSA-N 1 0 353.260 3.592 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000092217540 933938886 /nfs/dbraw/zinc/93/88/86/933938886.db2.gz YDZYHIBIKDDESC-UHFFFAOYSA-N 1 0 357.450 3.909 20 30 FHEDRO N#CCCC[C@H](NC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000891918226 934033305 /nfs/dbraw/zinc/03/33/05/934033305.db2.gz UQWYXKMNHWZKCO-NRFANRHFSA-N 1 0 362.477 3.567 20 30 FHEDRO C=C(C)C[N@@H+](CC)CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000016338914 934056632 /nfs/dbraw/zinc/05/66/32/934056632.db2.gz IMAGUNJMMHHKGD-OAQYLSRUSA-N 1 0 360.498 3.559 20 30 FHEDRO C=C(C)COCC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092567287 934089591 /nfs/dbraw/zinc/08/95/91/934089591.db2.gz GVFXVDQADGYXPT-UHFFFAOYSA-N 1 0 350.203 3.733 20 30 FHEDRO C=CCc1cc(C[N@H+]2CCC[C@H](C(=O)N[C@H](C)CCC)C2)cc(OC)c1O ZINC000092730714 934150487 /nfs/dbraw/zinc/15/04/87/934150487.db2.gz UVRINHYGTKSHCU-APWZRJJASA-N 1 0 374.525 3.646 20 30 FHEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000276992949 934428034 /nfs/dbraw/zinc/42/80/34/934428034.db2.gz IRMJAEKJKACDAS-AWEZNQCLSA-N 1 0 353.304 3.520 20 30 FHEDRO N#CCN1CCC([NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000610813511 934477077 /nfs/dbraw/zinc/47/70/77/934477077.db2.gz JHUKJHSVLGUDBC-OAHLLOKOSA-N 1 0 354.281 3.785 20 30 FHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610813009 934486485 /nfs/dbraw/zinc/48/64/85/934486485.db2.gz VAWYFWLSGSSCJA-CYBMUJFWSA-N 1 0 358.486 3.896 20 30 FHEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000610829971 934503006 /nfs/dbraw/zinc/50/30/06/934503006.db2.gz VDJBKKXEADKUCT-GJZGRUSLSA-N 1 0 367.449 3.643 20 30 FHEDRO C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413421427 934597637 /nfs/dbraw/zinc/59/76/37/934597637.db2.gz WZAKMIUAWIYSQK-IATRGZMQSA-N 1 0 353.388 3.648 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000535872529 934669359 /nfs/dbraw/zinc/66/93/59/934669359.db2.gz ZTSKISMLDGMNBZ-QGZVFWFLSA-N 1 0 360.523 3.652 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)CC1 ZINC000458330437 934712647 /nfs/dbraw/zinc/71/26/47/934712647.db2.gz GRRFMUVRLXIYDM-UHFFFAOYSA-N 1 0 359.489 3.586 20 30 FHEDRO C[C@@H]([NH2+]C1(CNC(=O)N(C)CC(C)(C)C#N)CCCC1)c1ccccc1 ZINC000458362049 934780173 /nfs/dbraw/zinc/78/01/73/934780173.db2.gz BJRHORZLEDESIV-QGZVFWFLSA-N 1 0 356.514 3.841 20 30 FHEDRO C=C(C)[C@@H](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)OCC ZINC000535910073 934782362 /nfs/dbraw/zinc/78/23/62/934782362.db2.gz MLCHNTBCRPZOMY-LEWJYISDSA-N 1 0 374.525 3.710 20 30 FHEDRO Cc1noc(C[C@@H]([NH2+]CCCOc2cccc(C#N)c2)c2ccccc2)n1 ZINC000277272376 934857102 /nfs/dbraw/zinc/85/71/02/934857102.db2.gz RSQWFQMJKSTQEN-HXUWFJFHSA-N 1 0 362.433 3.592 20 30 FHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431286647 934882651 /nfs/dbraw/zinc/88/26/51/934882651.db2.gz ZFMMVEVMLNVTHL-WSTZPKSXSA-N 1 0 356.514 3.841 20 30 FHEDRO C[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000431288995 934889601 /nfs/dbraw/zinc/88/96/01/934889601.db2.gz VJYLVBRFEPLTHM-QUCCMNQESA-N 1 0 356.514 3.841 20 30 FHEDRO C=CCc1cc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)cc(OC)c1O ZINC000472050972 934901263 /nfs/dbraw/zinc/90/12/63/934901263.db2.gz CVAYOZUKALDGPX-HRAATJIYSA-N 1 0 354.494 3.910 20 30 FHEDRO C=CCCn1cc(C[NH2+]CCc2ccc(-c3csc(C)n3)s2)nn1 ZINC000657296011 934993284 /nfs/dbraw/zinc/99/32/84/934993284.db2.gz DKJPKUUBNHWZEB-UHFFFAOYSA-N 1 0 359.524 3.680 20 30 FHEDRO COc1cccc(NC(=[NH2+])NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000104159832 935004123 /nfs/dbraw/zinc/00/41/23/935004123.db2.gz BSQXQTCNDKTETA-UHFFFAOYSA-N 1 0 353.344 3.563 20 30 FHEDRO [NH2+]=C(NCCc1ccccc1)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000104164901 935004403 /nfs/dbraw/zinc/00/44/03/935004403.db2.gz VAUHRWFRHKMJOZ-UHFFFAOYSA-N 1 0 364.424 3.660 20 30 FHEDRO N#CCCC[C@@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000431316294 935014558 /nfs/dbraw/zinc/01/45/58/935014558.db2.gz CGYLLBQIOJCJJC-SOAGJPPSSA-N 1 0 354.498 3.738 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C#N)CC1)c1ccccc1Cl ZINC000105082400 935063308 /nfs/dbraw/zinc/06/33/08/935063308.db2.gz NUFCRGAOXPOTHZ-SFHVURJKSA-N 1 0 362.905 3.668 20 30 FHEDRO CC(C)(C#N)c1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000375656836 935072311 /nfs/dbraw/zinc/07/23/11/935072311.db2.gz SKDVSYHIOAOSMA-LJQANCHMSA-N 1 0 361.489 3.740 20 30 FHEDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563217389 935091195 /nfs/dbraw/zinc/09/11/95/935091195.db2.gz QDYFONSEEDADDG-UHFFFAOYSA-N 1 0 372.494 3.872 20 30 FHEDRO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507246299 945079827 /nfs/dbraw/zinc/07/98/27/945079827.db2.gz DSJXVBMWCSOQHR-IFMALSPDSA-N 1 0 370.537 3.634 20 30 FHEDRO Cn1cc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000548663933 935209606 /nfs/dbraw/zinc/20/96/06/935209606.db2.gz VRBJSFSPEJOEPE-NFBKMPQASA-N 1 0 372.472 3.826 20 30 FHEDRO C=CCCCCCN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000152141345 935211972 /nfs/dbraw/zinc/21/19/72/935211972.db2.gz HVNGZNGYUNZAJW-SFHVURJKSA-N 1 0 358.530 3.995 20 30 FHEDRO COc1cc(OC)c2ncc(C#N)c(NC3CC([NH+]4CCCCC4)C3)c2c1 ZINC000582079342 935219501 /nfs/dbraw/zinc/21/95/01/935219501.db2.gz BTVRQXUWZUVGSH-UHFFFAOYSA-N 1 0 366.465 3.552 20 30 FHEDRO CC(C)C[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001167548570 935280220 /nfs/dbraw/zinc/28/02/20/935280220.db2.gz BMYDXAJRIFEQSO-QGZVFWFLSA-N 1 0 366.427 3.541 20 30 FHEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551546933 935305286 /nfs/dbraw/zinc/30/52/86/935305286.db2.gz BGXXYLTZLFFWSJ-IBGZPJMESA-N 1 0 366.440 3.928 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(O)c1OC ZINC000892202344 935326854 /nfs/dbraw/zinc/32/68/54/935326854.db2.gz QOKWWLQBPANNRF-QZTJIDSGSA-N 1 0 352.434 3.681 20 30 FHEDRO COc1cc(C[N@H+](C)CCOc2cccc(C#N)c2)ccc1OC(F)F ZINC000051472690 935337636 /nfs/dbraw/zinc/33/76/36/935337636.db2.gz MBPKJUODLCBWSI-UHFFFAOYSA-N 1 0 362.376 3.679 20 30 FHEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1F ZINC000505989960 945097932 /nfs/dbraw/zinc/09/79/32/945097932.db2.gz DMDMUZICFXGWID-HXUWFJFHSA-N 1 0 351.425 3.806 20 30 FHEDRO N#Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000120050795 935503381 /nfs/dbraw/zinc/50/33/81/935503381.db2.gz DFDMICHKFODCAX-MRXNPFEDSA-N 1 0 354.479 3.653 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(CC#N)c1 ZINC000511782993 945105717 /nfs/dbraw/zinc/10/57/17/945105717.db2.gz BNTVEEFMUDWWJZ-OAQYLSRUSA-N 1 0 361.489 3.783 20 30 FHEDRO C=CC(C)(C)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000449485218 935531697 /nfs/dbraw/zinc/53/16/97/935531697.db2.gz LGNSEOXNWSQCEY-UHFFFAOYSA-N 1 0 353.304 3.588 20 30 FHEDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000158092596 935557843 /nfs/dbraw/zinc/55/78/43/935557843.db2.gz CJUALQYAGRVLDD-UHFFFAOYSA-N 1 0 352.438 3.812 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000023387266 935581268 /nfs/dbraw/zinc/58/12/68/935581268.db2.gz AYLGKMWSJSDDOD-OAQYLSRUSA-N 1 0 358.441 3.677 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000178569911 935587507 /nfs/dbraw/zinc/58/75/07/935587507.db2.gz UFWTVVTZIQXTSJ-KRWDZBQOSA-N 1 0 354.479 3.887 20 30 FHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C ZINC000582391007 935617694 /nfs/dbraw/zinc/61/76/94/935617694.db2.gz JORFTUYEPSYBGM-SJORKVTESA-N 1 0 363.889 3.676 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000091222467 935669498 /nfs/dbraw/zinc/66/94/98/935669498.db2.gz BKEDHMJFOQMROV-OAQYLSRUSA-N 1 0 374.488 3.509 20 30 FHEDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415007091 945117803 /nfs/dbraw/zinc/11/78/03/945117803.db2.gz LEODUYBAXJWWAP-KRWDZBQOSA-N 1 0 352.438 3.845 20 30 FHEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001167577853 935752144 /nfs/dbraw/zinc/75/21/44/935752144.db2.gz WFMRYNSZUHPCDZ-YOEHRIQHSA-N 1 0 369.292 3.624 20 30 FHEDRO CN1CC[C@@H]([NH2+]CCOc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562053653 935755679 /nfs/dbraw/zinc/75/56/79/935755679.db2.gz CORXVZUYOJVOQM-UYAOXDASSA-N 1 0 373.859 3.765 20 30 FHEDRO COc1ccc(C[N@H+](C)CCOc2cccc(C#N)c2)cc1OC(F)F ZINC000051709638 935767184 /nfs/dbraw/zinc/76/71/84/935767184.db2.gz IAKAMBVMDVDLRN-UHFFFAOYSA-N 1 0 362.376 3.679 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)NCC(C)(C)C#N)c1ccccc1Cl ZINC000611623020 935834640 /nfs/dbraw/zinc/83/46/40/935834640.db2.gz WCWNTAFZZSOGJC-MRXNPFEDSA-N 1 0 350.894 3.572 20 30 FHEDRO CC[NH+](CC)[C@@H](C/N=C\c1cccc(OC)c1O)c1cccc(OC)c1 ZINC000255518936 935927895 /nfs/dbraw/zinc/92/78/95/935927895.db2.gz XVIWOMRUNDPTIX-MAGMUUGSSA-N 1 0 356.466 3.911 20 30 FHEDRO C[NH+](C)CCc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000582675013 935929180 /nfs/dbraw/zinc/92/91/80/935929180.db2.gz UFXWMTPGFGZRDA-FCHUYYIVSA-N 1 0 361.489 3.703 20 30 FHEDRO C[NH+](C)CCc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000582675016 935929210 /nfs/dbraw/zinc/92/92/10/935929210.db2.gz UFXWMTPGFGZRDA-YADHBBJMSA-N 1 0 361.489 3.703 20 30 FHEDRO C=CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccccc1 ZINC000427165960 945134627 /nfs/dbraw/zinc/13/46/27/945134627.db2.gz YXBBXLQCQPXCAI-JOCHJYFZSA-N 1 0 364.489 3.942 20 30 FHEDRO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000277817730 935976610 /nfs/dbraw/zinc/97/66/10/935976610.db2.gz VHUVWYAICRPZLL-UHFFFAOYSA-N 1 0 352.482 3.929 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000518171408 945141102 /nfs/dbraw/zinc/14/11/02/945141102.db2.gz YVLKOZBUQXLPPM-KRWDZBQOSA-N 1 0 353.422 3.700 20 30 FHEDRO CC(C)(C)c1nc(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)cs1 ZINC000329105182 936038567 /nfs/dbraw/zinc/03/85/67/936038567.db2.gz OJUWDAVGGPRARL-UHFFFAOYSA-N 1 0 365.543 3.585 20 30 FHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(C#N)CCCCC3)cc2F)CC1 ZINC000077306581 936044175 /nfs/dbraw/zinc/04/41/75/936044175.db2.gz CGECKKXBEUFEOE-UHFFFAOYSA-N 1 0 372.488 3.769 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000516685068 945142052 /nfs/dbraw/zinc/14/20/52/945142052.db2.gz PGRVEAJYQGXKAC-QZTJIDSGSA-N 1 0 356.514 3.600 20 30 FHEDRO N#CCC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000438854218 945142186 /nfs/dbraw/zinc/14/21/86/945142186.db2.gz RDCWPLBBELDEJS-SFTDATJTSA-N 1 0 362.477 3.605 20 30 FHEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC(n3ccnc3)CC2)cc1OC ZINC000628157418 936123075 /nfs/dbraw/zinc/12/30/75/936123075.db2.gz GMHQZEFSCXKGBS-UHFFFAOYSA-N 1 0 361.873 3.947 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000046529229 936123701 /nfs/dbraw/zinc/12/37/01/936123701.db2.gz JHXZBFDGHICAMU-UHFFFAOYSA-N 1 0 352.825 3.544 20 30 FHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1OCC ZINC000609425567 936192088 /nfs/dbraw/zinc/19/20/88/936192088.db2.gz GRNVMMFSPPDYOG-KRWDZBQOSA-N 1 0 358.486 3.733 20 30 FHEDRO CC(C)(C)c1nc2c(o1)c(C#N)cnc2N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167624982 936194547 /nfs/dbraw/zinc/19/45/47/936194547.db2.gz FJXVDXFHSKEOJU-UHFFFAOYSA-N 1 0 355.486 3.877 20 30 FHEDRO COc1cc(CNc2ccnc(OCC(F)(F)C(F)F)c2)ccc1C#N ZINC000582937295 936304224 /nfs/dbraw/zinc/30/42/24/936304224.db2.gz MINPCEWCSIOBRQ-UHFFFAOYSA-N 1 0 369.318 3.853 20 30 FHEDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cnn1-c1cccc(C)c1 ZINC000329172661 938279296 /nfs/dbraw/zinc/27/92/96/938279296.db2.gz LDVVCZPIDBNNLC-QGZVFWFLSA-N 1 0 352.482 3.811 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245433765 938295998 /nfs/dbraw/zinc/29/59/98/938295998.db2.gz PIVAFADRRNGROZ-WMZOPIPTSA-N 1 0 361.555 3.565 20 30 FHEDRO C=CCc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc(OC)c1OC ZINC000245448030 938297321 /nfs/dbraw/zinc/29/73/21/938297321.db2.gz MNSGZMWJFWJOOM-MOPGFXCFSA-N 1 0 372.509 3.520 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2c2cc[nH]n2)C1 ZINC000329261887 938305505 /nfs/dbraw/zinc/30/55/05/938305505.db2.gz ZGMGNDQCRAUWGU-JZXOWHBKSA-N 1 0 361.534 3.607 20 30 FHEDRO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000245733426 938311563 /nfs/dbraw/zinc/31/15/63/938311563.db2.gz QMYKBZBTEQDCMW-WBVHZDCISA-N 1 0 360.527 3.885 20 30 FHEDRO CC[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000278349168 938326818 /nfs/dbraw/zinc/32/68/18/938326818.db2.gz YRMUUFXBVGFUEW-HXUWFJFHSA-N 1 0 356.491 3.604 20 30 FHEDRO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000329296550 938331987 /nfs/dbraw/zinc/33/19/87/938331987.db2.gz OVTNPAROSQRROE-GOSISDBHSA-N 1 0 367.497 3.595 20 30 FHEDRO CC[C@](C)(C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)OC ZINC000926521064 938359777 /nfs/dbraw/zinc/35/97/77/938359777.db2.gz XOAUUENNQSCLLW-QFBILLFUSA-N 1 0 367.534 3.711 20 30 FHEDRO O=C(Nc1cnn(Cc2ccccc2)c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000329384709 938379460 /nfs/dbraw/zinc/37/94/60/938379460.db2.gz PCECUAIHBTZKGM-LJQANCHMSA-N 1 0 370.522 3.737 20 30 FHEDRO Cc1cnc(CCN(C)CC(=O)c2cn(CCC#N)c3ccccc23)s1 ZINC000157571240 938381940 /nfs/dbraw/zinc/38/19/40/938381940.db2.gz BWMWLFWJDOOCQL-UHFFFAOYSA-N 1 0 366.490 3.677 20 30 FHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000329391286 938386484 /nfs/dbraw/zinc/38/64/84/938386484.db2.gz VHFFEJJOCMKYSD-UYAOXDASSA-N 1 0 357.498 3.571 20 30 FHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000178994929 938460830 /nfs/dbraw/zinc/46/08/30/938460830.db2.gz YTADUBKLDWUYSL-UHFFFAOYSA-N 1 0 358.486 3.587 20 30 FHEDRO C=CCn1c(C)cc(C(=O)CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000247369470 938464537 /nfs/dbraw/zinc/46/45/37/938464537.db2.gz RROQSEDNXIRLAZ-AKJBCIBTSA-N 1 0 372.534 3.904 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000437247034 945178653 /nfs/dbraw/zinc/17/86/53/945178653.db2.gz WUPKEJRSVDHKMS-XLIONFOSSA-N 1 0 355.434 3.804 20 30 FHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000151413927 938543321 /nfs/dbraw/zinc/54/33/21/938543321.db2.gz YATOCUSHEOINDS-NRFANRHFSA-N 1 0 364.493 3.983 20 30 FHEDRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000584126867 938611386 /nfs/dbraw/zinc/61/13/86/938611386.db2.gz AVZBEYFADUIQFL-WOJBJXKFSA-N 1 0 363.933 3.941 20 30 FHEDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807199 938613089 /nfs/dbraw/zinc/61/30/89/938613089.db2.gz SDGDIAMOMRGBIK-INIZCTEOSA-N 1 0 356.491 3.701 20 30 FHEDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000584201949 938639563 /nfs/dbraw/zinc/63/95/63/938639563.db2.gz SPSQZMXSMUKJGG-UHFFFAOYSA-N 1 0 369.431 3.556 20 30 FHEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC(CC)(CO)CC2)cc1OC ZINC000628182335 938666607 /nfs/dbraw/zinc/66/66/07/938666607.db2.gz PDRHKPSLXNSKLR-UHFFFAOYSA-N 1 0 353.890 3.898 20 30 FHEDRO CC#CCCCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248631384 938682039 /nfs/dbraw/zinc/68/20/39/938682039.db2.gz RBBVBUXRNVJJBN-BEFAXECRSA-N 1 0 350.865 3.782 20 30 FHEDRO COc1ccc([C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)N2CCCC2)cc1 ZINC000584321439 938685245 /nfs/dbraw/zinc/68/52/45/938685245.db2.gz VHSZTNCESFXLTM-GOTSBHOMSA-N 1 0 361.489 3.981 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000657841552 938701627 /nfs/dbraw/zinc/70/16/27/938701627.db2.gz FTQGTOHOMJNBNQ-GHTZIAJQSA-N 1 0 356.510 3.611 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000657841554 938701710 /nfs/dbraw/zinc/70/17/10/938701710.db2.gz FTQGTOHOMJNBNQ-RXVVDRJESA-N 1 0 356.510 3.611 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(C#N)CCCC2)C1 ZINC000044755280 945204196 /nfs/dbraw/zinc/20/41/96/945204196.db2.gz ILUBWRGJIATNIJ-ROUUACIJSA-N 1 0 353.510 3.865 20 30 FHEDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329790060 938807909 /nfs/dbraw/zinc/80/79/09/938807909.db2.gz COAUZGZPFJTCNP-JENIJYKNSA-N 1 0 356.514 3.518 20 30 FHEDRO CCOc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c2ncccc12 ZINC000329792453 938811509 /nfs/dbraw/zinc/81/15/09/938811509.db2.gz ACZNXHGXLKYAAJ-INIZCTEOSA-N 1 0 368.481 3.739 20 30 FHEDRO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000548825968 938824701 /nfs/dbraw/zinc/82/47/01/938824701.db2.gz NYXYYMBWAKSEER-INIZCTEOSA-N 1 0 365.452 3.881 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000093918846 938932024 /nfs/dbraw/zinc/93/20/24/938932024.db2.gz CHUYWGJXZCIKHZ-HZPDHXFCSA-N 1 0 353.441 3.904 20 30 FHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458798349 938936154 /nfs/dbraw/zinc/93/61/54/938936154.db2.gz HVVHSCKUKACXNT-WOJBJXKFSA-N 1 0 356.514 3.937 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000584457314 938940704 /nfs/dbraw/zinc/94/07/04/938940704.db2.gz HWGYJPFGSUZLLN-GOSISDBHSA-N 1 0 362.433 3.709 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000165004335 938963791 /nfs/dbraw/zinc/96/37/91/938963791.db2.gz GKQJJQWNPRPZJJ-IBGZPJMESA-N 1 0 351.425 3.733 20 30 FHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000179115653 938969309 /nfs/dbraw/zinc/96/93/09/938969309.db2.gz STFFQMXICMSFRT-IBGZPJMESA-N 1 0 374.893 3.726 20 30 FHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000926582086 938974402 /nfs/dbraw/zinc/97/44/02/938974402.db2.gz ICKXUHWXBFTDDU-OWCLPIDISA-N 1 0 367.559 3.789 20 30 FHEDRO CC[NH+]=C(NCc1cccc(C(F)(F)F)c1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262451347 938975231 /nfs/dbraw/zinc/97/52/31/938975231.db2.gz WCHOEWBNSOSSIA-ARFHVFGLSA-N 1 0 369.431 3.574 20 30 FHEDRO C=CCc1cc(CN(CC[NH+](C)C)Cc2cccc(F)c2)cc(OC)c1O ZINC000685455609 938988422 /nfs/dbraw/zinc/98/84/22/938988422.db2.gz KRIIYTPRKGAPPZ-UHFFFAOYSA-N 1 0 372.484 3.832 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C#N)s2)[C@@H]1c1cccs1 ZINC000562932245 938991697 /nfs/dbraw/zinc/99/16/97/938991697.db2.gz HVEANXVUMOGJTQ-SUMWQHHRSA-N 1 0 374.535 3.564 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000657944541 939010380 /nfs/dbraw/zinc/01/03/80/939010380.db2.gz OMEZJQPVYXBMRY-NQIIRXRSSA-N 1 0 355.526 3.931 20 30 FHEDRO N#CCCCOc1cccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000093387688 939015948 /nfs/dbraw/zinc/01/59/48/939015948.db2.gz LESBZLMRROOZGA-JOCHJYFZSA-N 1 0 350.462 3.851 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)C(=O)N2CCCC[C@H]2C)ccc1OC ZINC000102427648 939018563 /nfs/dbraw/zinc/01/85/63/939018563.db2.gz YRTLRHUOPPNGDN-SJORKVTESA-N 1 0 360.498 3.529 20 30 FHEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000176992635 939027395 /nfs/dbraw/zinc/02/73/95/939027395.db2.gz KPCYKICAYCUEPU-UHFFFAOYSA-N 1 0 354.881 3.660 20 30 FHEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000472357586 939048119 /nfs/dbraw/zinc/04/81/19/939048119.db2.gz BOYIYUXMEHKDDM-TZIWHRDSSA-N 1 0 361.489 3.886 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000612097148 939058601 /nfs/dbraw/zinc/05/86/01/939058601.db2.gz XEMKGDSOVMKOID-OAQYLSRUSA-N 1 0 354.498 3.508 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000612108123 939060108 /nfs/dbraw/zinc/06/01/08/939060108.db2.gz ONMXNVMKBOQZCU-PGRDOPGGSA-N 1 0 368.525 3.754 20 30 FHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@](C)(C#N)C3)c2)CC1 ZINC000612121317 939104418 /nfs/dbraw/zinc/10/44/18/939104418.db2.gz BHYBZDPOOBEPKT-QFIPXVFZSA-N 1 0 368.525 3.754 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1ccc(Cl)s1 ZINC000255689632 939113846 /nfs/dbraw/zinc/11/38/46/939113846.db2.gz FZMYUTBFLPOMSU-NTMALXAHSA-N 1 0 373.909 3.877 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612133318 939125998 /nfs/dbraw/zinc/12/59/98/939125998.db2.gz VVWLAJLOJNGEBP-YMPZKCBVSA-N 1 0 373.500 3.897 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612133316 939126073 /nfs/dbraw/zinc/12/60/73/939126073.db2.gz VVWLAJLOJNGEBP-AKIFATBCSA-N 1 0 373.500 3.897 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000179449672 939164459 /nfs/dbraw/zinc/16/44/59/939164459.db2.gz GJWAGMYXYNEWRI-FUHWJXTLSA-N 1 0 373.497 3.666 20 30 FHEDRO C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000074917198 939183943 /nfs/dbraw/zinc/18/39/43/939183943.db2.gz SJKFYPQPTWKICM-MRXNPFEDSA-N 1 0 366.465 3.518 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000507448180 945242201 /nfs/dbraw/zinc/24/22/01/945242201.db2.gz BAPTZPPXZJCJHI-IYBDPMFKSA-N 1 0 373.516 3.848 20 30 FHEDRO N#Cc1ccc([C@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C(N)=O)cc1 ZINC000507460596 945249749 /nfs/dbraw/zinc/24/97/49/945249749.db2.gz ITKHWIGVZWZKRA-MPGHIAIKSA-N 1 0 374.271 3.927 20 30 FHEDRO COc1cc(Br)c(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1OC ZINC000295131836 945263674 /nfs/dbraw/zinc/26/36/74/945263674.db2.gz YCUBUNKVCLUUCO-AAEUAGOBSA-N 1 0 353.260 3.638 20 30 FHEDRO CC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1OC(F)F ZINC000179720111 939926035 /nfs/dbraw/zinc/92/60/35/939926035.db2.gz ZUDBOKDUOURQNQ-ZDUSSCGKSA-N 1 0 365.405 3.901 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000167154531 939943069 /nfs/dbraw/zinc/94/30/69/939943069.db2.gz RUOMIBASYWEEFR-INIZCTEOSA-N 1 0 356.470 3.947 20 30 FHEDRO CC1CCC([NH+]2CCC(N(C)C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000364475257 939950111 /nfs/dbraw/zinc/95/01/11/939950111.db2.gz DIXKCYSRYVSFPX-UHFFFAOYSA-N 1 0 357.473 3.812 20 30 FHEDRO C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364691817 939983251 /nfs/dbraw/zinc/98/32/51/939983251.db2.gz XFWABUOSAMPBCH-INIZCTEOSA-N 1 0 362.477 3.680 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)cc1 ZINC000375863783 939986357 /nfs/dbraw/zinc/98/63/57/939986357.db2.gz YHJLDSNIAOJTJE-JOCHJYFZSA-N 1 0 350.462 3.835 20 30 FHEDRO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000364850795 940012830 /nfs/dbraw/zinc/01/28/30/940012830.db2.gz VLRHTCNUOBRTTL-FQEVSTJZSA-N 1 0 357.461 3.578 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000612357739 940020969 /nfs/dbraw/zinc/02/09/69/940020969.db2.gz FVSAVUXRKAUPMG-ICSRJNTNSA-N 1 0 374.916 3.812 20 30 FHEDRO COc1cccc(CC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)c1 ZINC000612400880 940047657 /nfs/dbraw/zinc/04/76/57/940047657.db2.gz FIWSMHWMLZYSBO-UHFFFAOYSA-N 1 0 360.461 3.669 20 30 FHEDRO COc1ccc2nc(C)cc(C(=O)NCC3CC[NH+](C4CC4)CC3)c2c1 ZINC000329946148 940048373 /nfs/dbraw/zinc/04/83/73/940048373.db2.gz JLXSFKPOQFZRJU-UHFFFAOYSA-N 1 0 353.466 3.731 20 30 FHEDRO C=CCSCC[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185968547 940062628 /nfs/dbraw/zinc/06/26/28/940062628.db2.gz RZVXZXPXTJLRPD-ROUUACIJSA-N 1 0 353.553 3.589 20 30 FHEDRO CCCOc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930429 940077880 /nfs/dbraw/zinc/07/78/80/940077880.db2.gz OOXFMJUXYOPHHZ-UHFFFAOYSA-N 1 0 365.477 3.551 20 30 FHEDRO CCc1sc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1C ZINC000065931039 940079273 /nfs/dbraw/zinc/07/92/73/940079273.db2.gz XJKUDTWUHLAWSZ-UHFFFAOYSA-N 1 0 355.507 3.695 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2s1 ZINC000065931098 940079284 /nfs/dbraw/zinc/07/92/84/940079284.db2.gz WNJYSAFFELZYQW-UHFFFAOYSA-N 1 0 363.486 3.977 20 30 FHEDRO Cc1nc(C(C)C)sc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930498 940079373 /nfs/dbraw/zinc/07/93/73/940079373.db2.gz GQGDPNPAEJHRKV-UHFFFAOYSA-N 1 0 370.522 3.651 20 30 FHEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2F)[C@H](CO)C(C)C)cc1 ZINC000179922053 940129141 /nfs/dbraw/zinc/12/91/41/940129141.db2.gz VYXMWASXFNJTMQ-OAQYLSRUSA-N 1 0 356.441 3.725 20 30 FHEDRO C=CCOc1c(Cl)cc(C[N@H+](C)CCCn2ccnc2C)cc1OC ZINC000628280206 940154152 /nfs/dbraw/zinc/15/41/52/940154152.db2.gz WAGCPSRIYOFWLA-UHFFFAOYSA-N 1 0 363.889 3.940 20 30 FHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000612610225 940181015 /nfs/dbraw/zinc/18/10/15/940181015.db2.gz IXUGFUFVAJSVEC-INIZCTEOSA-N 1 0 367.880 3.948 20 30 FHEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3OC)ccc2NC1=O ZINC000180017937 940248876 /nfs/dbraw/zinc/24/88/76/940248876.db2.gz BBWZHIOFIZWIPW-FZKQIMNGSA-N 1 0 365.433 3.527 20 30 FHEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N(C)c1ccccc1 ZINC000180052099 940323668 /nfs/dbraw/zinc/32/36/68/940323668.db2.gz FXTVVZKRZJZNQL-QGZVFWFLSA-N 1 0 359.477 3.573 20 30 FHEDRO C[NH+](C)CCOc1cccc(-c2noc(/C=C/c3ccccc3C#N)n2)c1 ZINC000612932302 940343901 /nfs/dbraw/zinc/34/39/01/940343901.db2.gz AUDQMVYGTZPTOL-ZHACJKMWSA-N 1 0 360.417 3.719 20 30 FHEDRO CCCc1occc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000376137055 940356083 /nfs/dbraw/zinc/35/60/83/940356083.db2.gz VLHNVIRUOMDPAG-UHFFFAOYSA-N 1 0 351.450 3.520 20 30 FHEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000177706805 940372207 /nfs/dbraw/zinc/37/22/07/940372207.db2.gz GDQNFXZTRRIWTO-QGZVFWFLSA-N 1 0 357.479 3.975 20 30 FHEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000376168957 940409814 /nfs/dbraw/zinc/40/98/14/940409814.db2.gz YRZGPLQIAHGEJP-KIZRIRGWSA-N 1 0 364.493 3.819 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@H](c2ccco2)N2CCCCC2)O1 ZINC000376168700 940409950 /nfs/dbraw/zinc/40/99/50/940409950.db2.gz VPJUMHBWKSOUOK-WAPOTWQKSA-N 1 0 357.498 3.636 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@@H](c2ccco2)N2CCCCC2)O1 ZINC000376168699 940409999 /nfs/dbraw/zinc/40/99/99/940409999.db2.gz VPJUMHBWKSOUOK-UEDWAMCQSA-N 1 0 357.498 3.636 20 30 FHEDRO COc1ccc(CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180101281 940471135 /nfs/dbraw/zinc/47/11/35/940471135.db2.gz UOBZWVLEHZILQY-UHFFFAOYSA-N 1 0 360.461 3.690 20 30 FHEDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580293912 940471949 /nfs/dbraw/zinc/47/19/49/940471949.db2.gz JXHJPYKYMKLVNK-LMDOGRNLSA-N 1 0 373.500 3.689 20 30 FHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000580475306 940476190 /nfs/dbraw/zinc/47/61/90/940476190.db2.gz NWJXGOPBXQJHAX-FQEVSTJZSA-N 1 0 369.484 3.642 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000511444228 940477871 /nfs/dbraw/zinc/47/78/71/940477871.db2.gz KOSJNRXQUMMFQN-IBGZPJMESA-N 1 0 365.880 3.571 20 30 FHEDRO Cc1nn(-c2ccccc2)c(CN2CC[C@H](Cc3ccncc3)C2)c1C#N ZINC000613179274 940480194 /nfs/dbraw/zinc/48/01/94/940480194.db2.gz RSXMVLJKSWVGMH-LJQANCHMSA-N 1 0 357.461 3.512 20 30 FHEDRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC#N)cc1 ZINC000172473380 940506767 /nfs/dbraw/zinc/50/67/67/940506767.db2.gz DFQKKPVCBNBHLC-IAGOWNOFSA-N 1 0 373.497 3.887 20 30 FHEDRO COc1cc(C#N)ccc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000613303442 940509629 /nfs/dbraw/zinc/50/96/29/940509629.db2.gz QMQHQMWOLQHUKB-FUHWJXTLSA-N 1 0 370.497 3.685 20 30 FHEDRO C=CCOc1ccc(C[N@@H+]2C[C@H](C(=O)NCCCC)CC[C@H]2C)cc1OC ZINC000511481801 940603510 /nfs/dbraw/zinc/60/35/10/940603510.db2.gz ZKVRHAQJFMBAMS-IEBWSBKVSA-N 1 0 374.525 3.777 20 30 FHEDRO CN(CCC#N)C[C@@H](O)COc1ccccc1-c1nc2ccccc2s1 ZINC000414116681 940606571 /nfs/dbraw/zinc/60/65/71/940606571.db2.gz XGTAFXALSVKSRT-OAHLLOKOSA-N 1 0 367.474 3.548 20 30 FHEDRO CN(CCC#N)C[C@H](O)COc1ccccc1-c1nc2ccccc2s1 ZINC000414116680 940606776 /nfs/dbraw/zinc/60/67/76/940606776.db2.gz XGTAFXALSVKSRT-HNNXBMFYSA-N 1 0 367.474 3.548 20 30 FHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc(Cl)ccc1C#N ZINC000431804669 940618183 /nfs/dbraw/zinc/61/81/83/940618183.db2.gz LPALNSZZCLWHRK-UHFFFAOYSA-N 1 0 374.960 3.844 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2ccccc2F)c(OC)c1 ZINC000613373410 940643408 /nfs/dbraw/zinc/64/34/08/940643408.db2.gz NLDXAEKXRIHZJU-AEFFLSMTSA-N 1 0 373.468 3.996 20 30 FHEDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000376282616 940693768 /nfs/dbraw/zinc/69/37/68/940693768.db2.gz RGWLBDZQEPUEMM-CQSZACIVSA-N 1 0 360.417 3.538 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2[C@@H](C)CCC2(C)C)c1C#N ZINC000452008389 940731072 /nfs/dbraw/zinc/73/10/72/940731072.db2.gz OVVSERONUYXCLV-AWEZNQCLSA-N 1 0 368.481 3.819 20 30 FHEDRO C=CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174933533 940793674 /nfs/dbraw/zinc/79/36/74/940793674.db2.gz RJXWIQCOEPBYCA-HXUWFJFHSA-N 1 0 364.489 3.846 20 30 FHEDRO CO[C@@H](C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccccc1 ZINC000549040662 940808143 /nfs/dbraw/zinc/80/81/43/940808143.db2.gz KCGDUELLCGWXSZ-QFIPXVFZSA-N 1 0 372.472 3.616 20 30 FHEDRO O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000330087997 945351151 /nfs/dbraw/zinc/35/11/51/945351151.db2.gz UICVMGKYELCHDV-SFHVURJKSA-N 1 0 373.888 3.631 20 30 FHEDRO CN(C)c1cccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180245355 940875095 /nfs/dbraw/zinc/87/50/95/940875095.db2.gz BLQXOCZHBKRULI-UHFFFAOYSA-N 1 0 359.477 3.657 20 30 FHEDRO C=CCC[C@H](O)C[N@@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000472580679 940933634 /nfs/dbraw/zinc/93/36/34/940933634.db2.gz DJOCOLVQJAKMOD-IBGZPJMESA-N 1 0 360.546 3.526 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414310943 940941861 /nfs/dbraw/zinc/94/18/61/940941861.db2.gz XNFOMSKKZLZXDR-PXNSSMCTSA-N 1 0 372.534 3.775 20 30 FHEDRO C=CCOc1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000658989425 940974517 /nfs/dbraw/zinc/97/45/17/940974517.db2.gz QJXKHKUYOLBPQP-WOJBJXKFSA-N 1 0 351.450 3.519 20 30 FHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(C#N)cc3)oc21 ZINC000180355687 940982899 /nfs/dbraw/zinc/98/28/99/940982899.db2.gz LXLZZLDCEWDRFV-CQSZACIVSA-N 1 0 363.417 3.992 20 30 FHEDRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000330121297 945365337 /nfs/dbraw/zinc/36/53/37/945365337.db2.gz GVBYXQSAPVBEIN-OAHLLOKOSA-N 1 0 353.825 3.898 20 30 FHEDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000330128707 945367747 /nfs/dbraw/zinc/36/77/47/945367747.db2.gz NWHRZEZJNIDTBT-ORGXJRBJSA-N 1 0 374.525 3.925 20 30 FHEDRO Cn1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c(-c2ccc(C#N)cc2)n1 ZINC000180448681 941018252 /nfs/dbraw/zinc/01/82/52/941018252.db2.gz ORPGXKZBTZIACC-LJQANCHMSA-N 1 0 362.408 3.711 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[C@@H]1c1cccs1 ZINC000376445247 941020627 /nfs/dbraw/zinc/02/06/27/941020627.db2.gz ASVADLRVWBYMFY-KZULUSFZSA-N 1 0 371.466 3.605 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659030512 941031452 /nfs/dbraw/zinc/03/14/52/941031452.db2.gz HUBQCSJLJGCFOT-FQEVSTJZSA-N 1 0 351.450 3.568 20 30 FHEDRO C=C[C@H](CC(=O)N1CCN(CCc2cccs2)CC1)c1ccccc1 ZINC000533919673 941054804 /nfs/dbraw/zinc/05/48/04/941054804.db2.gz RFFNGBWUCFTVOL-GOSISDBHSA-N 1 0 354.519 3.795 20 30 FHEDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(C#N)cc1 ZINC000376463837 941055704 /nfs/dbraw/zinc/05/57/04/941055704.db2.gz NXEWGPYXNBSVAS-MOPGFXCFSA-N 1 0 365.481 3.524 20 30 FHEDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000180709929 941067922 /nfs/dbraw/zinc/06/79/22/941067922.db2.gz SAMFVJWBLIWAKX-ZDUSSCGKSA-N 1 0 357.479 3.925 20 30 FHEDRO Cn1ccnc1CC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181099878 941108761 /nfs/dbraw/zinc/10/87/61/941108761.db2.gz WONQHAPSBQLFJB-UHFFFAOYSA-N 1 0 373.298 3.509 20 30 FHEDRO N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000181185718 941112330 /nfs/dbraw/zinc/11/23/30/941112330.db2.gz YGMYQGHFSIODCP-APWZRJJASA-N 1 0 374.326 3.769 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+](CC1CC1)CC1CC1 ZINC000115562680 941137835 /nfs/dbraw/zinc/13/78/35/941137835.db2.gz CKJHRKAVZNMZST-HNNXBMFYSA-N 1 0 357.523 3.999 20 30 FHEDRO C[C@H](Nc1cccc(NC(=O)NC2CC[NH2+]CC2)c1)c1cccc(C#N)c1 ZINC001167709577 941159700 /nfs/dbraw/zinc/15/97/00/941159700.db2.gz RWEVMXBVEGTDFC-HNNXBMFYSA-N 1 0 363.465 3.605 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000178566216 941277739 /nfs/dbraw/zinc/27/77/39/941277739.db2.gz VQWRNSPHMZOQRR-GOSISDBHSA-N 1 0 354.498 3.843 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178577150 941280075 /nfs/dbraw/zinc/28/00/75/941280075.db2.gz AWDQQHZSLCFERA-UHFFFAOYSA-N 1 0 362.477 3.695 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCC[C@@H]3CCO)c2)c1 ZINC000189929090 941306779 /nfs/dbraw/zinc/30/67/79/941306779.db2.gz LYUQCZYJXHKKHS-IRLDBZIGSA-N 1 0 350.462 3.778 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCC[C@H]3CCO)c2)c1 ZINC000189929108 941306974 /nfs/dbraw/zinc/30/69/74/941306974.db2.gz LYUQCZYJXHKKHS-RBBKRZOGSA-N 1 0 350.462 3.778 20 30 FHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000376652556 941372124 /nfs/dbraw/zinc/37/21/24/941372124.db2.gz JRSLMZDPZLUVDL-QUCCMNQESA-N 1 0 367.518 3.586 20 30 FHEDRO N#CC1CCC(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000376673623 941377367 /nfs/dbraw/zinc/37/73/67/941377367.db2.gz RRBHCEBVYWQGLO-GRERDSQWSA-N 1 0 368.525 3.528 20 30 FHEDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(COc3ccccc3C#N)o2)n1 ZINC000414618774 941413152 /nfs/dbraw/zinc/41/31/52/941413152.db2.gz NFIZNXNOIJJVPY-HNNXBMFYSA-N 1 0 352.394 3.826 20 30 FHEDRO CC(C)N(C)C(=O)[C@H](C)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376844829 941449116 /nfs/dbraw/zinc/44/91/16/941449116.db2.gz UZTSTHYOVGQTNL-KGLIPLIRSA-N 1 0 356.495 3.588 20 30 FHEDRO C[C@@H]1C[C@H](CNC(=O)NCC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000376952169 941475822 /nfs/dbraw/zinc/47/58/22/941475822.db2.gz ZKPVXSYRBFGGAB-IEBWSBKVSA-N 1 0 356.514 3.526 20 30 FHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000376992405 941489080 /nfs/dbraw/zinc/48/90/80/941489080.db2.gz HYLMWALOEHTGIB-UHFFFAOYSA-N 1 0 356.514 3.542 20 30 FHEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C12CCC[NH+]1CCC2 ZINC000414878864 941496877 /nfs/dbraw/zinc/49/68/77/941496877.db2.gz HUOBOLMOURKJBX-UHFFFAOYSA-N 1 0 362.433 3.621 20 30 FHEDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000414959962 941528437 /nfs/dbraw/zinc/52/84/37/941528437.db2.gz GIGRIJOOSJDEMM-HNNXBMFYSA-N 1 0 370.840 3.830 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415001934 941535670 /nfs/dbraw/zinc/53/56/70/941535670.db2.gz CUVWCHFKODREQF-GOEBONIOSA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415002430 941535867 /nfs/dbraw/zinc/53/58/67/941535867.db2.gz DLRKVHOYVHBUPB-NVXWUHKLSA-N 1 0 364.449 3.990 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415006691 941538301 /nfs/dbraw/zinc/53/83/01/941538301.db2.gz QPUASISJFQGVSK-GOSISDBHSA-N 1 0 366.465 3.947 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[C@H]1[NH3+] ZINC000415005181 941541470 /nfs/dbraw/zinc/54/14/70/941541470.db2.gz ITILUBPRNGLXSO-KBXCAEBGSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415015693 941542741 /nfs/dbraw/zinc/54/27/41/941542741.db2.gz YYALLNJMFBYDIM-FQEVSTJZSA-N 1 0 350.422 3.553 20 30 FHEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415019719 941545145 /nfs/dbraw/zinc/54/51/45/941545145.db2.gz ILULXKKTTHKDEN-QGZVFWFLSA-N 1 0 364.449 3.875 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H]1C[NH3+] ZINC000415014364 941546466 /nfs/dbraw/zinc/54/64/66/941546466.db2.gz WWFXVVQWIANRFE-DOTOQJQBSA-N 1 0 364.449 3.799 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC000415029448 941550532 /nfs/dbraw/zinc/55/05/32/941550532.db2.gz BCNCJVZHCXCEMV-NVXWUHKLSA-N 1 0 350.422 3.742 20 30 FHEDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415034847 941558129 /nfs/dbraw/zinc/55/81/29/941558129.db2.gz IFUWMAUCLBFCNY-HNNXBMFYSA-N 1 0 352.438 3.990 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCC[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000415039460 941559018 /nfs/dbraw/zinc/55/90/18/941559018.db2.gz NDOXWEFSLPOUGI-MRXNPFEDSA-N 1 0 350.422 3.614 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H](C[NH3+])C1 ZINC000415048767 941566033 /nfs/dbraw/zinc/56/60/33/941566033.db2.gz XHOZUMAFGOYSAT-YJBOKZPZSA-N 1 0 364.449 3.942 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)c2)cc1 ZINC000415148855 941629767 /nfs/dbraw/zinc/62/97/67/941629767.db2.gz MSYQJRZWNZALFQ-DOTOQJQBSA-N 1 0 350.422 3.599 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3CCC([NH3+])CC3)cc2)c1 ZINC000415153443 941635377 /nfs/dbraw/zinc/63/53/77/941635377.db2.gz CUDGCDRDGYRJRQ-UHFFFAOYSA-N 1 0 350.422 3.742 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H](C[NH3+])C3CCCC3)cc2)c1 ZINC000415154567 941636433 /nfs/dbraw/zinc/63/64/33/941636433.db2.gz DVQYFGKYYHCDCS-HXUWFJFHSA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H]1C[NH3+] ZINC000415151661 941639900 /nfs/dbraw/zinc/63/99/00/941639900.db2.gz APQSEELDUHGMNS-MGPUTAFESA-N 1 0 364.449 3.942 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H](C[NH3+])C1CC1 ZINC000415157266 941640804 /nfs/dbraw/zinc/64/08/04/941640804.db2.gz HCSAHUQGGYKMKI-LJQANCHMSA-N 1 0 350.422 3.552 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000472729421 941641014 /nfs/dbraw/zinc/64/10/14/941641014.db2.gz OUBNBPIWLVHJFN-QGZVFWFLSA-N 1 0 350.466 3.899 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415159977 941643227 /nfs/dbraw/zinc/64/32/27/941643227.db2.gz KITXLMZSDMUAKN-DNVCBOLYSA-N 1 0 358.511 3.546 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415164951 941647525 /nfs/dbraw/zinc/64/75/25/941647525.db2.gz QIKDOCMLIPEYTQ-FXUDXRNXSA-N 1 0 358.511 3.529 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)cc2)c1 ZINC000415172029 941648908 /nfs/dbraw/zinc/64/89/08/941648908.db2.gz YVANATHNOVQYAV-SJORKVTESA-N 1 0 364.449 3.990 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@H]1C(F)(F)F ZINC000892911964 941672356 /nfs/dbraw/zinc/67/23/56/941672356.db2.gz OOGNLDKRZUUNHP-RBSFLKMASA-N 1 0 372.362 3.697 20 30 FHEDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000415237508 941692404 /nfs/dbraw/zinc/69/24/04/941692404.db2.gz IVSYDQKHNKFEDE-HXUWFJFHSA-N 1 0 368.412 3.692 20 30 FHEDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000415240842 941696017 /nfs/dbraw/zinc/69/60/17/941696017.db2.gz RBXICICWLJTKQH-CQSZACIVSA-N 1 0 368.412 3.563 20 30 FHEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000729267092 941705299 /nfs/dbraw/zinc/70/52/99/941705299.db2.gz JCVZYGSKHSPCCC-LJQANCHMSA-N 1 0 350.418 3.697 20 30 FHEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000729267239 941705922 /nfs/dbraw/zinc/70/59/22/941705922.db2.gz NCFZUSSVJGRSJR-HXUWFJFHSA-N 1 0 352.434 3.943 20 30 FHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)N(C)CCCC)CC2)c(O)c(OC)c1 ZINC000178862629 941726065 /nfs/dbraw/zinc/72/60/65/941726065.db2.gz WWOWIJXIZBOQSY-UHFFFAOYSA-N 1 0 374.525 3.600 20 30 FHEDRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1OC ZINC000151147224 941760438 /nfs/dbraw/zinc/76/04/38/941760438.db2.gz MEFDWLFHVBUPFY-AWEZNQCLSA-N 1 0 358.413 3.582 20 30 FHEDRO COC(=O)COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000543044841 941764577 /nfs/dbraw/zinc/76/45/77/941764577.db2.gz CIDPRMQRTBWQIS-UHFFFAOYSA-N 1 0 366.461 3.768 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCCC[C@H]2c2ccncc2)CC1 ZINC000377569462 941815958 /nfs/dbraw/zinc/81/59/58/941815958.db2.gz WANUYKKJJQUOCS-FQEVSTJZSA-N 1 0 356.514 3.749 20 30 FHEDRO [NH2+]=C(NCc1cccc(NC(=O)N2CCCC2)c1)Nc1cc(F)ccc1F ZINC000262280867 941875363 /nfs/dbraw/zinc/87/53/63/941875363.db2.gz KYUOGRRAAVKWMM-UHFFFAOYSA-N 1 0 373.407 3.519 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)cc(OC)c1O ZINC000377666977 941883278 /nfs/dbraw/zinc/88/32/78/941883278.db2.gz DCFLELIUJOUHBB-GOSISDBHSA-N 1 0 372.465 3.525 20 30 FHEDRO C[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000415532064 941883610 /nfs/dbraw/zinc/88/36/10/941883610.db2.gz GDJADCSDQVTJGU-UHFFFAOYSA-N 1 0 364.449 3.814 20 30 FHEDRO Cc1nc(-c2ccccc2NC(=O)N(CCC#N)CCC[NH+](C)C)cs1 ZINC000433787700 941897036 /nfs/dbraw/zinc/89/70/36/941897036.db2.gz XFWAOOLZEHZWSL-UHFFFAOYSA-N 1 0 371.510 3.818 20 30 FHEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000377727393 941938525 /nfs/dbraw/zinc/93/85/25/941938525.db2.gz ZWMAHECXAIDYEX-CYBMUJFWSA-N 1 0 359.271 3.915 20 30 FHEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000182588657 941945862 /nfs/dbraw/zinc/94/58/62/941945862.db2.gz QBHVDJIGNWHUEV-SFHVURJKSA-N 1 0 362.882 3.726 20 30 FHEDRO CCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000513490332 941959999 /nfs/dbraw/zinc/95/99/99/941959999.db2.gz NDPLAUNSWPEMJA-YADHBBJMSA-N 1 0 364.489 3.567 20 30 FHEDRO CCOc1c(OC)cc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1OC ZINC000728711849 941991771 /nfs/dbraw/zinc/99/17/71/941991771.db2.gz NGEMULJVDIOZGF-HNNXBMFYSA-N 1 0 370.449 3.683 20 30 FHEDRO N#CCCOCCN1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000549336875 941999325 /nfs/dbraw/zinc/99/93/25/941999325.db2.gz CFLMAKVEEKIRCK-UHFFFAOYSA-N 1 0 373.497 3.602 20 30 FHEDRO C=CCOc1cccc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000434014031 942039950 /nfs/dbraw/zinc/03/99/50/942039950.db2.gz VXQAKZXTZFUIJT-UNMCSNQZSA-N 1 0 351.494 3.771 20 30 FHEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2cnc(C#N)c(Cl)c2)cc1 ZINC000415789462 942049885 /nfs/dbraw/zinc/04/98/85/942049885.db2.gz RCPIFPCFVAUNNT-INIZCTEOSA-N 1 0 357.845 3.552 20 30 FHEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000415789654 942049904 /nfs/dbraw/zinc/04/99/04/942049904.db2.gz SUWHVJVOIXSJEU-QGZVFWFLSA-N 1 0 356.857 3.790 20 30 FHEDRO N#Cc1cnc(Nc2ccc(CC[NH+]3CCSCC3)cc2)c(Cl)c1 ZINC000513646590 942062331 /nfs/dbraw/zinc/06/23/31/942062331.db2.gz ZYHWJXYESUVNMB-UHFFFAOYSA-N 1 0 358.898 3.942 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415809874 942063721 /nfs/dbraw/zinc/06/37/21/942063721.db2.gz UVQTWIINYNZWDQ-WMLDXEAASA-N 1 0 366.490 3.958 20 30 FHEDRO C[N@@H+](Cc1ccc(C#N)s1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377927314 942072130 /nfs/dbraw/zinc/07/21/30/942072130.db2.gz ZZAMDFPTCVADPL-UHFFFAOYSA-N 1 0 368.506 3.996 20 30 FHEDRO COc1ccccc1CNC(=[NH2+])NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000178578683 942089227 /nfs/dbraw/zinc/08/92/27/942089227.db2.gz UHSDVPNIGYZCEI-CTNGQTDRSA-N 1 0 367.493 3.576 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(Cn4ccnc4)cc3)CC2)cc1 ZINC000513689489 942105374 /nfs/dbraw/zinc/10/53/74/942105374.db2.gz CVZSRLNRCCVFPY-UHFFFAOYSA-N 1 0 371.488 3.562 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415887844 942117056 /nfs/dbraw/zinc/11/70/56/942117056.db2.gz YPCDXPJXRAWRBJ-UHFFFAOYSA-N 1 0 351.450 3.561 20 30 FHEDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000513725352 942132294 /nfs/dbraw/zinc/13/22/94/942132294.db2.gz OMIJFMJTXKTUIL-UHFFFAOYSA-N 1 0 351.406 3.818 20 30 FHEDRO CCN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501960886 942137672 /nfs/dbraw/zinc/13/76/72/942137672.db2.gz KUKBPMXNGUNZLI-PGRDOPGGSA-N 1 0 361.489 3.785 20 30 FHEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCc2ccccc21 ZINC000513691861 942164656 /nfs/dbraw/zinc/16/46/56/942164656.db2.gz WTZQRYLDQPOXNN-GOSISDBHSA-N 1 0 360.505 3.568 20 30 FHEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCc2ccccc21 ZINC000513691862 942164808 /nfs/dbraw/zinc/16/48/08/942164808.db2.gz WTZQRYLDQPOXNN-SFHVURJKSA-N 1 0 360.505 3.568 20 30 FHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000502072443 942203133 /nfs/dbraw/zinc/20/31/33/942203133.db2.gz ABHHDKNNRAXZCI-MRXNPFEDSA-N 1 0 354.479 3.885 20 30 FHEDRO N#CC1CCC(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415965480 942206648 /nfs/dbraw/zinc/20/66/48/942206648.db2.gz DNBGKGUKHCTOJE-UHFFFAOYSA-N 1 0 354.376 3.616 20 30 FHEDRO N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415971666 942219018 /nfs/dbraw/zinc/21/90/18/942219018.db2.gz GMVBCOJWJCYOES-UHFFFAOYSA-N 1 0 364.449 3.529 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCC(C)(C)CCC#N)C1CC1 ZINC000502104332 942228312 /nfs/dbraw/zinc/22/83/12/942228312.db2.gz ISPYXPOHJFTZRQ-LJQANCHMSA-N 1 0 356.514 3.526 20 30 FHEDRO N#Cc1c(F)cccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000187865109 942240297 /nfs/dbraw/zinc/24/02/97/942240297.db2.gz VQFITYSRDRNHNK-AYHJJNSGSA-N 1 0 363.436 3.623 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](CC(F)(F)F)C3)C2=O)cc1 ZINC000420954400 942273760 /nfs/dbraw/zinc/27/37/60/942273760.db2.gz UUSCMKUFBNLYHZ-NVXWUHKLSA-N 1 0 365.399 3.718 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000179752986 942279628 /nfs/dbraw/zinc/27/96/28/942279628.db2.gz OICZSZCSNPJJHX-SFHVURJKSA-N 1 0 369.509 3.592 20 30 FHEDRO C[C@@H](C[NH+]1CCN(c2ncccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501091150 942303254 /nfs/dbraw/zinc/30/32/54/942303254.db2.gz PREMGWIGTMGDBU-HNNXBMFYSA-N 1 0 374.410 3.898 20 30 FHEDRO C=CCN(C)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000430033889 942309574 /nfs/dbraw/zinc/30/95/74/942309574.db2.gz LMWCYTIROSMALI-UHFFFAOYSA-N 1 0 351.494 3.906 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)cc1OCCCC#N ZINC000188037464 942317408 /nfs/dbraw/zinc/31/74/08/942317408.db2.gz JLKVTXOWSDNZBA-OAQYLSRUSA-N 1 0 360.498 3.751 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C(F)(F)F)cc2C)CC1 ZINC000188066419 942324898 /nfs/dbraw/zinc/32/48/98/942324898.db2.gz UKCPBMXAKPWKPC-UHFFFAOYSA-N 1 0 369.431 3.854 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCC34CCOCC4)C2)c(F)c1 ZINC000502291599 942335976 /nfs/dbraw/zinc/33/59/76/942335976.db2.gz VFDNTHKNXCHIDM-XLIONFOSSA-N 1 0 357.473 3.605 20 30 FHEDRO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419648863 942342290 /nfs/dbraw/zinc/34/22/90/942342290.db2.gz SHZXTBMSTAFNKQ-NRFANRHFSA-N 1 0 368.525 3.699 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000501253397 942365623 /nfs/dbraw/zinc/36/56/23/942365623.db2.gz LWQWFZJHZIRXIP-FQEVSTJZSA-N 1 0 350.466 3.633 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000414820302 942403689 /nfs/dbraw/zinc/40/36/89/942403689.db2.gz CAGIIVOZBIUJGM-XLIONFOSSA-N 1 0 362.477 3.694 20 30 FHEDRO N#Cc1ncn(C2CC[NH+](CCCc3c(Cl)cccc3Cl)CC2)n1 ZINC000366468272 942413666 /nfs/dbraw/zinc/41/36/66/942413666.db2.gz UDKZIRNLBFQFGF-UHFFFAOYSA-N 1 0 364.280 3.726 20 30 FHEDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000541195196 942426161 /nfs/dbraw/zinc/42/61/61/942426161.db2.gz LBTYBQVKHYVICF-CHWSQXEVSA-N 1 0 356.857 3.847 20 30 FHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416172664 942438612 /nfs/dbraw/zinc/43/86/12/942438612.db2.gz XNVFWXUHDXQNQH-GOTSBHOMSA-N 1 0 373.500 3.733 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000501376622 942441559 /nfs/dbraw/zinc/44/15/59/942441559.db2.gz LPAUSQJFIACPPX-CQSZACIVSA-N 1 0 353.304 3.694 20 30 FHEDRO C=CC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1cccs1 ZINC000501463928 942487482 /nfs/dbraw/zinc/48/74/82/942487482.db2.gz XBRIACNEJMCMRP-UHFFFAOYSA-N 1 0 354.475 3.813 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc2ccoc21 ZINC001125870294 942488372 /nfs/dbraw/zinc/48/83/72/942488372.db2.gz FCYGFZSGFZFEPR-UHFFFAOYSA-N 1 0 365.408 3.648 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1C(F)(F)F ZINC000894247167 942492147 /nfs/dbraw/zinc/49/21/47/942492147.db2.gz SDPKZMJWDAGQJP-NEADZQPHSA-N 1 0 360.420 3.816 20 30 FHEDRO COc1ccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1OCCCC#N ZINC000378269642 942494513 /nfs/dbraw/zinc/49/45/13/942494513.db2.gz ICGZLFHKJSHJQP-HXUWFJFHSA-N 1 0 365.477 3.654 20 30 FHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000421344405 942497907 /nfs/dbraw/zinc/49/79/07/942497907.db2.gz SYSBSZNWNMYCGA-LEWJYISDSA-N 1 0 363.440 3.755 20 30 FHEDRO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502530315 942503972 /nfs/dbraw/zinc/50/39/72/942503972.db2.gz QCKRTFXIWGKTCD-JOCHJYFZSA-N 1 0 362.473 3.704 20 30 FHEDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(C#N)s1 ZINC000421355466 942505231 /nfs/dbraw/zinc/50/52/31/942505231.db2.gz ZKAZIMCFFZFIKX-CYBMUJFWSA-N 1 0 361.898 3.800 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181235285 942508473 /nfs/dbraw/zinc/50/84/73/942508473.db2.gz LPINRHYTPCAFSC-UYAOXDASSA-N 1 0 366.461 3.703 20 30 FHEDRO COc1cccc(NC(=O)CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502535347 942512368 /nfs/dbraw/zinc/51/23/68/942512368.db2.gz YATYSXRLTBNXDM-UHFFFAOYSA-N 1 0 361.445 3.685 20 30 FHEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCOc3c(Br)cccc32)cc1 ZINC000501520455 942522323 /nfs/dbraw/zinc/52/23/23/942522323.db2.gz DXNLRZLLTUUNSR-KRWDZBQOSA-N 1 0 373.250 3.813 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000513816500 942534489 /nfs/dbraw/zinc/53/44/89/942534489.db2.gz OUHJOVPXBZHIDN-SFTDATJTSA-N 1 0 351.490 3.953 20 30 FHEDRO N#CCCC[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000416238708 942537953 /nfs/dbraw/zinc/53/79/53/942537953.db2.gz ISIUMUOHFRZNRQ-JOCHJYFZSA-N 1 0 361.489 3.986 20 30 FHEDRO CC[C@@H]1C[C@]1([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(C)c1 ZINC000502594712 942568480 /nfs/dbraw/zinc/56/84/80/942568480.db2.gz VPBZBLWFCXILGJ-WIYYLYMNSA-N 1 0 368.502 3.555 20 30 FHEDRO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000120222755 942573355 /nfs/dbraw/zinc/57/33/55/942573355.db2.gz KFORZBYFDMIFMZ-FQEVSTJZSA-N 1 0 352.478 3.793 20 30 FHEDRO CC(C)(CCC#N)C[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000378344261 942612762 /nfs/dbraw/zinc/61/27/62/942612762.db2.gz YUIMGAAYRQDOOX-KRWDZBQOSA-N 1 0 355.530 3.904 20 30 FHEDRO COc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1OCCCC#N ZINC000378344838 942613313 /nfs/dbraw/zinc/61/33/13/942613313.db2.gz DBCFVSAFFSDVKW-UHFFFAOYSA-N 1 0 358.482 3.770 20 30 FHEDRO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000425081963 942676953 /nfs/dbraw/zinc/67/69/53/942676953.db2.gz FFQUTAXTIIHPSD-AWEZNQCLSA-N 1 0 367.415 3.678 20 30 FHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000434473607 942692139 /nfs/dbraw/zinc/69/21/39/942692139.db2.gz HCRBTXWKOSNKDY-CZUORRHYSA-N 1 0 361.429 3.737 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000066812954 942693448 /nfs/dbraw/zinc/69/34/48/942693448.db2.gz HQFAYYYYGOTGPR-UHFFFAOYSA-N 1 0 354.885 3.955 20 30 FHEDRO C=CCCO[C@H](C)C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000514059476 942702697 /nfs/dbraw/zinc/70/26/97/942702697.db2.gz PHEXQCUBGLMTHB-LJQANCHMSA-N 1 0 358.526 3.776 20 30 FHEDRO Cc1ccn(C2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000434513649 942719993 /nfs/dbraw/zinc/71/99/93/942719993.db2.gz LYBVITBUSRWFLW-UHFFFAOYSA-N 1 0 363.383 3.779 20 30 FHEDRO CC1CCC([N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]2CCCO2)CC1 ZINC000152977428 942764737 /nfs/dbraw/zinc/76/47/37/942764737.db2.gz WNXKPLYUAQWUHP-PREGVCBESA-N 1 0 361.511 3.618 20 30 FHEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C12CCCCC2 ZINC000502858502 942801808 /nfs/dbraw/zinc/80/18/08/942801808.db2.gz VUQNPGMVPYYGIS-MSOLQXFVSA-N 1 0 366.465 3.826 20 30 FHEDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000190131966 942820069 /nfs/dbraw/zinc/82/00/69/942820069.db2.gz SOAWHHCLSOGQON-UHFFFAOYSA-N 1 0 364.493 3.708 20 30 FHEDRO Cc1sc(NC(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c(C#N)c1C ZINC000378504944 942839218 /nfs/dbraw/zinc/83/92/18/942839218.db2.gz CIOIMTNCHBMFLM-VQIMIIECSA-N 1 0 369.490 3.543 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(OCc2nccn2C)cc1 ZINC000421866704 942854200 /nfs/dbraw/zinc/85/42/00/942854200.db2.gz BLHRANROHFDBCK-AWEZNQCLSA-N 1 0 352.463 3.783 20 30 FHEDRO CC[N@H+](Cc1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1)C1CC1 ZINC000509986030 942881509 /nfs/dbraw/zinc/88/15/09/942881509.db2.gz ZDELUUJGXFDXFI-UHFFFAOYSA-N 1 0 362.477 3.622 20 30 FHEDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000273119481 942895295 /nfs/dbraw/zinc/89/52/95/942895295.db2.gz ZDNOHQOIEJAQQW-ROUUACIJSA-N 1 0 352.482 3.759 20 30 FHEDRO C[C@H]1C[C@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000273119482 942895420 /nfs/dbraw/zinc/89/54/20/942895420.db2.gz ZDNOHQOIEJAQQW-ZWKOTPCHSA-N 1 0 352.482 3.759 20 30 FHEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)CCc2ccccc2)c(-c2ccccc2)n1 ZINC000273153650 942899545 /nfs/dbraw/zinc/89/95/45/942899545.db2.gz RQYSJUATRKHSHN-QFIPXVFZSA-N 1 0 374.488 3.547 20 30 FHEDRO COc1ccc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1OCCCC#N ZINC000430120685 942926576 /nfs/dbraw/zinc/92/65/76/942926576.db2.gz FRVNRGWAYZOLPA-NLWGTHIKSA-N 1 0 371.525 3.540 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ncccn1 ZINC000378621400 942963433 /nfs/dbraw/zinc/96/34/33/942963433.db2.gz JHZKJUUAJNZPEW-HZPDHXFCSA-N 1 0 371.444 3.693 20 30 FHEDRO C#CCN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000728753943 942971055 /nfs/dbraw/zinc/97/10/55/942971055.db2.gz DJJSDTKXODXZMR-NRFANRHFSA-N 1 0 367.537 3.529 20 30 FHEDRO N#Cc1ccc(CNC(=O)CN2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000434907531 943044463 /nfs/dbraw/zinc/04/44/63/943044463.db2.gz XWBHGBWGJIRPNR-UHFFFAOYSA-N 1 0 365.864 3.617 20 30 FHEDRO O=c1ccccn1C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000503210557 943052187 /nfs/dbraw/zinc/05/21/87/943052187.db2.gz XUVDWFWPNVZIDX-OAQYLSRUSA-N 1 0 362.860 3.884 20 30 FHEDRO N#Cc1cccc([N+](=O)[O-])c1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000425252288 943055259 /nfs/dbraw/zinc/05/52/59/943055259.db2.gz BALIHBQCFPULNL-UHFFFAOYSA-N 1 0 368.359 3.684 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000272054540 943088497 /nfs/dbraw/zinc/08/84/97/943088497.db2.gz YMFMVPONRUREHA-GCJKJVERSA-N 1 0 373.500 3.882 20 30 FHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000503262782 943091597 /nfs/dbraw/zinc/09/15/97/943091597.db2.gz YEGCMUUCKUKXRS-OAQYLSRUSA-N 1 0 361.489 3.940 20 30 FHEDRO C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272193858 943110916 /nfs/dbraw/zinc/11/09/16/943110916.db2.gz BZJUXPOGBRIIBJ-RXVVDRJESA-N 1 0 373.500 3.882 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccsc1 ZINC000435051014 943122634 /nfs/dbraw/zinc/12/26/34/943122634.db2.gz XSFZUPTWWYEPOR-IBGZPJMESA-N 1 0 367.518 3.851 20 30 FHEDRO N#Cc1c(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cn2ccccc12 ZINC000503366803 943142061 /nfs/dbraw/zinc/14/20/61/943142061.db2.gz KICGMGOQFNZSKQ-QGZVFWFLSA-N 1 0 359.477 3.723 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@H]2C)c(C#N)c1C ZINC000503368365 943143568 /nfs/dbraw/zinc/14/35/68/943143568.db2.gz CNJUJDFIKZZBHK-NSPYISDASA-N 1 0 357.841 3.885 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000272431080 943154652 /nfs/dbraw/zinc/15/46/52/943154652.db2.gz OYZROISHNACZEQ-SFHVURJKSA-N 1 0 368.525 3.896 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1nccc2ccccc21)C(C)C ZINC000503416223 943172952 /nfs/dbraw/zinc/17/29/52/943172952.db2.gz QDTVUUTVPSFXLQ-OAQYLSRUSA-N 1 0 366.509 3.733 20 30 FHEDRO CC1(C#N)CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000272637663 943191274 /nfs/dbraw/zinc/19/12/74/943191274.db2.gz CTAZHVXRCMADRQ-UHFFFAOYSA-N 1 0 370.497 3.709 20 30 FHEDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127107 943221541 /nfs/dbraw/zinc/22/15/41/943221541.db2.gz OPQWZRSUXKDROU-HSZRJFAPSA-N 1 0 361.489 3.665 20 30 FHEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1c1ccc(Cl)cc1 ZINC000430127359 943221903 /nfs/dbraw/zinc/22/19/03/943221903.db2.gz PFNOSYFAUTXOHA-DLBZAZTESA-N 1 0 360.866 3.662 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503525541 943234756 /nfs/dbraw/zinc/23/47/56/943234756.db2.gz HBJVJOGGQCKPJJ-ROUUACIJSA-N 1 0 369.490 3.676 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514743509 943254176 /nfs/dbraw/zinc/25/41/76/943254176.db2.gz VUXLHJUYKYVSQR-LJQANCHMSA-N 1 0 365.525 3.690 20 30 FHEDRO COc1cc(C[NH2+]CCCC#N)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000273038049 943263324 /nfs/dbraw/zinc/26/33/24/943263324.db2.gz HTWKZECWUCYIHR-UHFFFAOYSA-N 1 0 355.394 3.576 20 30 FHEDRO C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417024600 943301053 /nfs/dbraw/zinc/30/10/53/943301053.db2.gz JOETWBOUWIXDNM-NRFANRHFSA-N 1 0 362.477 3.861 20 30 FHEDRO C[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000431917974 943305098 /nfs/dbraw/zinc/30/50/98/943305098.db2.gz CHBWKEALRMQVCB-QWFCFKBJSA-N 1 0 356.514 3.841 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000503688053 943332394 /nfs/dbraw/zinc/33/23/94/943332394.db2.gz JXALDNCQESQUBC-LJQANCHMSA-N 1 0 353.853 3.779 20 30 FHEDRO CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000503765063 943363022 /nfs/dbraw/zinc/36/30/22/943363022.db2.gz MIOVRJUNJYGIJF-RTWAWAEBSA-N 1 0 370.541 3.846 20 30 FHEDRO CCOC(=O)COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425365216 943373096 /nfs/dbraw/zinc/37/30/96/943373096.db2.gz JOOATKZQQPKBPI-INIZCTEOSA-N 1 0 352.434 3.693 20 30 FHEDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425366965 943379410 /nfs/dbraw/zinc/37/94/10/943379410.db2.gz QZZXMOLXODFBRF-INIZCTEOSA-N 1 0 368.481 3.516 20 30 FHEDRO C[C@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000503924384 943410896 /nfs/dbraw/zinc/41/08/96/943410896.db2.gz IFOCCIBMEMKQKK-KKSFZXQISA-N 1 0 361.420 3.951 20 30 FHEDRO C=CC[C@@H](C)C(=O)N1CCC[C@@]2(CCC[N@H+](Cc3scnc3C)C2)C1 ZINC001269961529 943415114 /nfs/dbraw/zinc/41/51/14/943415114.db2.gz ZHYRRXBLXKZVBU-OXQOHEQNSA-N 1 0 361.555 3.868 20 30 FHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000435474120 943434014 /nfs/dbraw/zinc/43/40/14/943434014.db2.gz UMDGEVCWTHULJB-KRWDZBQOSA-N 1 0 361.489 3.835 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCCC[NH+]2CCCCCC2)cc1C#N ZINC000435552670 943483829 /nfs/dbraw/zinc/48/38/29/943483829.db2.gz VFAPZVPWLFTREJ-UHFFFAOYSA-N 1 0 358.486 3.733 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000435585979 943503585 /nfs/dbraw/zinc/50/35/85/943503585.db2.gz VZGCETFUFLTPEB-OAQYLSRUSA-N 1 0 373.537 3.826 20 30 FHEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1C ZINC001105067874 943525352 /nfs/dbraw/zinc/52/53/52/943525352.db2.gz YQTKNQIEMGWPSP-HLLBOEOZSA-N 1 0 371.481 3.576 20 30 FHEDRO N#Cc1ccc([C@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C(N)=O)cc1 ZINC000435659303 943531530 /nfs/dbraw/zinc/53/15/30/943531530.db2.gz IDIIUSTZANKQCC-SZMVWBNQSA-N 1 0 373.378 3.639 20 30 FHEDRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417374286 943544192 /nfs/dbraw/zinc/54/41/92/943544192.db2.gz XWWHJCHRFJIKLH-MGPUTAFESA-N 1 0 364.445 3.838 20 30 FHEDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417371688 943552586 /nfs/dbraw/zinc/55/25/86/943552586.db2.gz URYSEESWLFOYFE-QVKFZJNVSA-N 1 0 373.456 3.600 20 30 FHEDRO CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417369892 943552593 /nfs/dbraw/zinc/55/25/93/943552593.db2.gz RWTAEOCYUNZIIP-WAIKUNEKSA-N 1 0 361.489 3.965 20 30 FHEDRO CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417369890 943552907 /nfs/dbraw/zinc/55/29/07/943552907.db2.gz RWTAEOCYUNZIIP-MWTRTKDXSA-N 1 0 361.489 3.965 20 30 FHEDRO CC(C)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1(O)CCOCC1 ZINC000417387029 943563871 /nfs/dbraw/zinc/56/38/71/943563871.db2.gz TXVPZDRPGQIICZ-UHFFFAOYSA-N 1 0 356.510 3.548 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000425404595 943568527 /nfs/dbraw/zinc/56/85/27/943568527.db2.gz WVCBUDINHIFZPI-KRWDZBQOSA-N 1 0 356.514 3.915 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435740995 943591527 /nfs/dbraw/zinc/59/15/27/943591527.db2.gz MYRZAUOVUJQWSG-CRAIPNDOSA-N 1 0 365.399 3.962 20 30 FHEDRO CCCc1ccc([C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c2cccs2)cc1 ZINC000424071044 943708175 /nfs/dbraw/zinc/70/81/75/943708175.db2.gz YYBAFXUXHQQQOG-IEBWSBKVSA-N 1 0 355.507 3.927 20 30 FHEDRO COc1ccc(Sc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424110167 943735390 /nfs/dbraw/zinc/73/53/90/943735390.db2.gz CBOHHCDGQNFWBF-SFHVURJKSA-N 1 0 355.463 3.806 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000424111349 943736056 /nfs/dbraw/zinc/73/60/56/943736056.db2.gz AOCUUCFVOILRGB-YYWHXJBOSA-N 1 0 366.461 3.556 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 ZINC000424110651 943737146 /nfs/dbraw/zinc/73/71/46/943737146.db2.gz DDDOYHAWKUHXQV-HNNXBMFYSA-N 1 0 372.469 3.710 20 30 FHEDRO CC(C)(C)[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116650 943740331 /nfs/dbraw/zinc/74/03/31/943740331.db2.gz XRUQETVZHMCIBV-HUUCEWRRSA-N 1 0 355.404 3.930 20 30 FHEDRO CC1(C)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000584842978 943747909 /nfs/dbraw/zinc/74/79/09/943747909.db2.gz LCTAHLSTGBUISZ-LIVBEALHSA-N 1 0 355.438 3.636 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000424154603 943755361 /nfs/dbraw/zinc/75/53/61/943755361.db2.gz ONELZBWDNWQTQN-PMACEKPBSA-N 1 0 367.880 3.987 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000424173761 943760428 /nfs/dbraw/zinc/76/04/28/943760428.db2.gz NLUJDBRASAFACO-GWCFXTLKSA-N 1 0 362.214 3.731 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000424177224 943761488 /nfs/dbraw/zinc/76/14/88/943761488.db2.gz SVMOXCNZRIDTHA-UGSOOPFHSA-N 1 0 358.394 3.544 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccccc1NCc1ccc(Cl)cc1 ZINC000424169114 943772561 /nfs/dbraw/zinc/77/25/61/943772561.db2.gz JFHPLGIVFDATMR-INIZCTEOSA-N 1 0 356.857 3.912 20 30 FHEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414903795 943782129 /nfs/dbraw/zinc/78/21/29/943782129.db2.gz LSJQSRGBPUHYBL-IXDGSTSKSA-N 1 0 368.868 3.949 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)CC2 ZINC000516896144 943812776 /nfs/dbraw/zinc/81/27/76/943812776.db2.gz CBCAVVWAOMJIEM-UNMCSNQZSA-N 1 0 363.530 3.753 20 30 FHEDRO CC[N@H+](Cc1cnn(C)c1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092438155 943839098 /nfs/dbraw/zinc/83/90/98/943839098.db2.gz RRFHMVXAIJKNSL-UHFFFAOYSA-N 1 0 360.461 3.893 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(I)c1 ZINC000424315597 943839498 /nfs/dbraw/zinc/83/94/98/943839498.db2.gz AGSTWERYAPHWCA-JBLDHEPKSA-N 1 0 358.198 3.773 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000366670308 943846165 /nfs/dbraw/zinc/84/61/65/943846165.db2.gz HZVDVNQZIKYYSV-DYXWJJEUSA-N 1 0 369.509 3.811 20 30 FHEDRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414906724 943864907 /nfs/dbraw/zinc/86/49/07/943864907.db2.gz PNXWQHDSKLZRRN-SUMWQHHRSA-N 1 0 356.857 3.854 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1Cl ZINC000437504572 943867927 /nfs/dbraw/zinc/86/79/27/943867927.db2.gz MBPGRSPBRWONCH-SJORKVTESA-N 1 0 363.914 3.900 20 30 FHEDRO CC1(C)CC[C@@H]2C[C@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)c3cccc1c32 ZINC000516971267 943872506 /nfs/dbraw/zinc/87/25/06/943872506.db2.gz QWYSRRVHZLSHGH-BEFAXECRSA-N 1 0 357.461 3.991 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000425425164 943874701 /nfs/dbraw/zinc/87/47/01/943874701.db2.gz OIMYIGVGZDUBGF-KZNAEPCWSA-N 1 0 356.514 3.629 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000425423884 943882016 /nfs/dbraw/zinc/88/20/16/943882016.db2.gz MNBUVWIRUREYCI-GOSISDBHSA-N 1 0 356.514 3.773 20 30 FHEDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414907541 943890826 /nfs/dbraw/zinc/89/08/26/943890826.db2.gz PPUCEHSFCGKMQB-WMZOPIPTSA-N 1 0 368.868 3.821 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)CC1 ZINC000516986972 943891870 /nfs/dbraw/zinc/89/18/70/943891870.db2.gz WRGWZFOOXUMISN-FQEVSTJZSA-N 1 0 355.526 3.610 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000517030513 943927977 /nfs/dbraw/zinc/92/79/77/943927977.db2.gz XAJRCQJBVLEKDP-KRWDZBQOSA-N 1 0 360.461 3.916 20 30 FHEDRO C[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000458850487 943930657 /nfs/dbraw/zinc/93/06/57/943930657.db2.gz UPVCGIZDEHOBPW-NQIIRXRSSA-N 1 0 368.525 3.937 20 30 FHEDRO C=CCC[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000417908860 943944995 /nfs/dbraw/zinc/94/49/95/943944995.db2.gz BYQHRWZRTJFTLO-KRWDZBQOSA-N 1 0 367.415 3.932 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(C(F)(F)F)cc1 ZINC000417908104 943951756 /nfs/dbraw/zinc/95/17/56/943951756.db2.gz AYPILLLILKURDM-OIISXLGYSA-N 1 0 367.415 3.716 20 30 FHEDRO C=CCC[C@@H](NC(=O)NC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000417934873 943975926 /nfs/dbraw/zinc/97/59/26/943975926.db2.gz QBADUSNOWRUYOR-MRXNPFEDSA-N 1 0 355.404 3.764 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CC[C@H]([NH2+]C)C1)c1ccc(C(F)(F)F)cc1 ZINC000417930236 943977170 /nfs/dbraw/zinc/97/71/70/943977170.db2.gz JQSXWAPNCNDBGZ-HOTGVXAUSA-N 1 0 355.404 3.716 20 30 FHEDRO C=C(C)C(C)(C)C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000424584655 943979420 /nfs/dbraw/zinc/97/94/20/943979420.db2.gz PRJCCPFDNFNLAW-UHFFFAOYSA-N 1 0 357.542 3.616 20 30 FHEDRO C=CCC[C@@H](NC(=O)N(C)C1CC([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417943237 943985722 /nfs/dbraw/zinc/98/57/22/943985722.db2.gz UTUVDLZNPLEZNV-UYSNPLJNSA-N 1 0 355.404 3.844 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000505038307 943995089 /nfs/dbraw/zinc/99/50/89/943995089.db2.gz ICNCXHPKXWNJSK-LJQANCHMSA-N 1 0 359.514 3.770 20 30 FHEDRO C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000515559741 944010875 /nfs/dbraw/zinc/01/08/75/944010875.db2.gz VAWXNPRNUDVNLA-NRFANRHFSA-N 1 0 373.504 3.957 20 30 FHEDRO COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)OC(C)C ZINC000364189853 944017250 /nfs/dbraw/zinc/01/72/50/944017250.db2.gz LEBKWHZDCIUBHA-LBDLUNCWSA-N 1 0 372.509 3.991 20 30 FHEDRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414910971 944022713 /nfs/dbraw/zinc/02/27/13/944022713.db2.gz SJVKYDXRGOESMH-GUYCJALGSA-N 1 0 356.857 3.712 20 30 FHEDRO C=CCC1(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCOCC1 ZINC000424637114 944024558 /nfs/dbraw/zinc/02/45/58/944024558.db2.gz JGVBMOWSSPUGAN-UHFFFAOYSA-N 1 0 370.537 3.908 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000417983742 944037959 /nfs/dbraw/zinc/03/79/59/944037959.db2.gz CLWXTUKIDHVLQS-XFQAVAEZSA-N 1 0 362.477 3.665 20 30 FHEDRO C[C@@H](NC(=O)NCCC[NH2+]C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417988779 944045319 /nfs/dbraw/zinc/04/53/19/944045319.db2.gz ISVGYZREQRHVIN-MRXNPFEDSA-N 1 0 362.477 3.728 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001315 944049631 /nfs/dbraw/zinc/04/96/31/944049631.db2.gz WWZFHBHYDGIMCJ-VWKPWSFCSA-N 1 0 362.477 3.726 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000436138989 944050358 /nfs/dbraw/zinc/05/03/58/944050358.db2.gz MNHUFVKHPZFKCD-HZPDHXFCSA-N 1 0 365.477 3.868 20 30 FHEDRO N#C[C@H]1CC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000425484077 944084433 /nfs/dbraw/zinc/08/44/33/944084433.db2.gz SJGXSVSKAFXKNP-FUHWJXTLSA-N 1 0 374.916 3.543 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000517190967 944086992 /nfs/dbraw/zinc/08/69/92/944086992.db2.gz AELITSBZGFZVFI-WJMWBRGCSA-N 1 0 356.510 3.516 20 30 FHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000517190366 944087968 /nfs/dbraw/zinc/08/79/68/944087968.db2.gz NGYJQMSSXHKUCF-PDSXEYIOSA-N 1 0 355.482 3.602 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[NH2+]1 ZINC000414912950 944088828 /nfs/dbraw/zinc/08/88/28/944088828.db2.gz VJDHZQDDZFLEGF-KSSFIOAISA-N 1 0 368.868 3.821 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC)[N@H+](C)Cc1ccccc1 ZINC000517205638 944104728 /nfs/dbraw/zinc/10/47/28/944104728.db2.gz YCVJTTWRXUAKOR-QFIPXVFZSA-N 1 0 361.489 3.983 20 30 FHEDRO N#Cc1ccc(SCC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000436230219 944119581 /nfs/dbraw/zinc/11/95/81/944119581.db2.gz APXGBPMOEYRUFH-SFHVURJKSA-N 1 0 357.523 3.564 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H]2Cc2ccccc2)c1C ZINC000437826840 944151283 /nfs/dbraw/zinc/15/12/83/944151283.db2.gz YIAOOVHLNLMWEY-NRFANRHFSA-N 1 0 361.489 3.867 20 30 FHEDRO COc1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1OCCCC#N ZINC000418098569 944151634 /nfs/dbraw/zinc/15/16/34/944151634.db2.gz LZRKVCHSQAHJQQ-IBGZPJMESA-N 1 0 352.434 3.739 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000436304659 944187011 /nfs/dbraw/zinc/18/70/11/944187011.db2.gz YMLYRSLTASOZFD-CLCXKQKWSA-N 1 0 350.890 3.936 20 30 FHEDRO C[C@@H]1CN(c2ccccc2C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000418139092 944198802 /nfs/dbraw/zinc/19/88/02/944198802.db2.gz DIZWTENHFGQXSI-VGOFRKELSA-N 1 0 361.489 3.951 20 30 FHEDRO C[C@H]1CN(c2ccccc2C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000418139090 944198842 /nfs/dbraw/zinc/19/88/42/944198842.db2.gz DIZWTENHFGQXSI-HTAPYJJXSA-N 1 0 361.489 3.951 20 30 FHEDRO C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000418150057 944211789 /nfs/dbraw/zinc/21/17/89/944211789.db2.gz VUMKDHHBWOEGKD-BTYIYWSLSA-N 1 0 368.502 3.732 20 30 FHEDRO C=CCCCCCCCCC[NH+]1CC2(C[C@@H]2C(=O)N(C)CCOC)C1 ZINC001280191222 944225971 /nfs/dbraw/zinc/22/59/71/944225971.db2.gz MFVMTCLVZBUILB-LJQANCHMSA-N 1 0 350.547 3.720 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1(O)CCCCCC1 ZINC000426249806 944236096 /nfs/dbraw/zinc/23/60/96/944236096.db2.gz QXNLLMZSNAHAIY-UHFFFAOYSA-N 1 0 363.889 3.557 20 30 FHEDRO CC[N@H+](CC(=O)NCCC#N)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000759792050 944253889 /nfs/dbraw/zinc/25/38/89/944253889.db2.gz LTPFFHDCJOMSLQ-QGZVFWFLSA-N 1 0 365.477 3.775 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000438057991 944319417 /nfs/dbraw/zinc/31/94/17/944319417.db2.gz LCOLGVOXYJAMLH-SFHVURJKSA-N 1 0 366.427 3.887 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469500638 944379511 /nfs/dbraw/zinc/37/95/11/944379511.db2.gz ZBXTYRDVQHGNOW-GOSISDBHSA-N 1 0 366.509 3.749 20 30 FHEDRO C[NH+](C)C1(CNC(=O)CCCCOc2cccc(C#N)c2)CCCCCC1 ZINC000518443006 944395993 /nfs/dbraw/zinc/39/59/93/944395993.db2.gz BWKSYOBLIYKNHZ-UHFFFAOYSA-N 1 0 371.525 3.878 20 30 FHEDRO COc1ccc(C[NH2+][C@H](C)CN2CCC(C)CC2)cc1OCCCC#N ZINC000517588684 944420903 /nfs/dbraw/zinc/42/09/03/944420903.db2.gz PHQJRNVVOVGOFK-GOSISDBHSA-N 1 0 359.514 3.588 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cccc(C#N)c1 ZINC000517605799 944425485 /nfs/dbraw/zinc/42/54/85/944425485.db2.gz AOUREWAROKLUAG-XJKSGUPXSA-N 1 0 353.388 3.542 20 30 FHEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NC[C@H]1CCCS1 ZINC000261979689 944433805 /nfs/dbraw/zinc/43/38/05/944433805.db2.gz OOLWKEUAJAXTCD-LLVKDONJSA-N 1 0 354.932 3.510 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000518510493 944455213 /nfs/dbraw/zinc/45/52/13/944455213.db2.gz RSFHMOMSBSCHIP-QGZVFWFLSA-N 1 0 363.502 3.702 20 30 FHEDRO N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000517665223 944489231 /nfs/dbraw/zinc/48/92/31/944489231.db2.gz XWCNZRNUOPUUIZ-FQEVSTJZSA-N 1 0 369.509 3.584 20 30 FHEDRO CC[N@@H+]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000517681749 944509902 /nfs/dbraw/zinc/50/99/02/944509902.db2.gz SWAKPXGZSYDRTQ-UHFFFAOYSA-N 1 0 363.461 3.713 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1c2c(nn1C(C)C)CCC2)C(C)C ZINC000473812192 944554263 /nfs/dbraw/zinc/55/42/63/944554263.db2.gz YRBGSUALZQPWMH-LJQANCHMSA-N 1 0 373.545 3.773 20 30 FHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000505875758 944597014 /nfs/dbraw/zinc/59/70/14/944597014.db2.gz AOSCRYUCHOATHW-UHFFFAOYSA-N 1 0 374.525 3.875 20 30 FHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516242586 944612012 /nfs/dbraw/zinc/61/20/12/944612012.db2.gz QUJHRAXZPPUKLN-KSZLIROESA-N 1 0 361.505 3.890 20 30 FHEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000438481682 944660617 /nfs/dbraw/zinc/66/06/17/944660617.db2.gz JCYSJNFNUGJENC-UHFFFAOYSA-N 1 0 366.421 3.650 20 30 FHEDRO N#Cc1cccnc1N1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000506257687 944703568 /nfs/dbraw/zinc/70/35/68/944703568.db2.gz CGTYLVZFJAUPCR-UHFFFAOYSA-N 1 0 354.457 3.942 20 30 FHEDRO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N(C)Cc1cc(Cl)cn1C ZINC000261994311 944704069 /nfs/dbraw/zinc/70/40/69/944704069.db2.gz SAMVHNIFOFPVEG-YOEHRIQHSA-N 1 0 368.953 3.527 20 30 FHEDRO COc1ccccc1/C=C\CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506259958 944710117 /nfs/dbraw/zinc/71/01/17/944710117.db2.gz SGIGCOHKQDTCMO-DAXSKMNVSA-N 1 0 361.489 3.788 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H]2C[C@@H](CO)c3ccccc32)ccc1OC ZINC000364444093 944720536 /nfs/dbraw/zinc/72/05/36/944720536.db2.gz UWYHINOFPSIGHR-PXNSSMCTSA-N 1 0 353.462 3.961 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000426411759 944722598 /nfs/dbraw/zinc/72/25/98/944722598.db2.gz REZDNBUQOJRALK-DFQSSKMNSA-N 1 0 356.510 3.747 20 30 FHEDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000518759873 944725350 /nfs/dbraw/zinc/72/53/50/944725350.db2.gz XPGJARXYIYSWOO-UHFFFAOYSA-N 1 0 371.525 3.886 20 30 FHEDRO CN(CCC(=O)Nc1sccc1C#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000426731326 944741271 /nfs/dbraw/zinc/74/12/71/944741271.db2.gz OPXJUFZKFUXTKM-UHFFFAOYSA-N 1 0 362.543 3.535 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(-c2noc([C@](C)(C#N)CC)n2)cc1OC ZINC000516343081 944744531 /nfs/dbraw/zinc/74/45/31/944744531.db2.gz LPTKRQXNCUTHIB-FQEVSTJZSA-N 1 0 372.469 3.657 20 30 FHEDRO CCn1c(C[NH2+]CCSCc2ccccc2C#N)nc2ccccc21 ZINC000054172819 944764205 /nfs/dbraw/zinc/76/42/05/944764205.db2.gz OVPPLULBGBVLKY-UHFFFAOYSA-N 1 0 350.491 3.951 20 30 FHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000053741193 944814436 /nfs/dbraw/zinc/81/44/36/944814436.db2.gz FDMXRIJWPKYILI-HNNXBMFYSA-N 1 0 371.868 3.940 20 30 FHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000053741194 944814635 /nfs/dbraw/zinc/81/46/35/944814635.db2.gz FDMXRIJWPKYILI-OAHLLOKOSA-N 1 0 371.868 3.940 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000425672506 944878367 /nfs/dbraw/zinc/87/83/67/944878367.db2.gz KMMAUZIIYSACNI-HOJAQTOUSA-N 1 0 371.525 3.540 20 30 FHEDRO CCCCCCCCc1nnc(NC(=O)NC2CC[NH+](C)CC2)s1 ZINC000123992345 944879472 /nfs/dbraw/zinc/87/94/72/944879472.db2.gz BUPWRBOZNFGDED-UHFFFAOYSA-N 1 0 353.536 3.657 20 30 FHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426463636 944890329 /nfs/dbraw/zinc/89/03/29/944890329.db2.gz WMXUNMDOLRAVMS-SFHVURJKSA-N 1 0 350.428 3.721 20 30 FHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000796650020 944925348 /nfs/dbraw/zinc/92/53/48/944925348.db2.gz JNEXFWIWFYVUFK-MDZRGWNJSA-N 1 0 373.497 3.713 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC(N3CCC(C(F)(F)F)CC3)C1)CC2 ZINC000518015238 944935127 /nfs/dbraw/zinc/93/51/27/944935127.db2.gz OXDCKLQDMBYGRJ-TVPLGVNVSA-N 1 0 363.427 3.940 20 30 FHEDRO CCCCCCCCC(=O)N[C@@]12CC[C@@]([NH2+]COCCOC)(C1)CCC2 ZINC001270164413 944957024 /nfs/dbraw/zinc/95/70/24/944957024.db2.gz VGYROKKHNTWNAD-RTWAWAEBSA-N 1 0 368.562 3.909 20 30 FHEDRO COc1cc(CN2CCN(c3ccccc3C#N)CC2)ccc1OC(C)C ZINC000506342738 944981352 /nfs/dbraw/zinc/98/13/52/944981352.db2.gz UGFZOUBISVESQP-UHFFFAOYSA-N 1 0 365.477 3.676 20 30 FHEDRO N#Cc1ccnc(N2CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)c1 ZINC000506689490 944999778 /nfs/dbraw/zinc/99/97/78/944999778.db2.gz NKAUDFPVOUWFEZ-UHFFFAOYSA-N 1 0 354.457 3.942 20 30 FHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2Cl)[NH+](C)C)c1 ZINC000426134868 945003443 /nfs/dbraw/zinc/00/34/43/945003443.db2.gz BCNIWCKUGMBBHQ-GOSISDBHSA-N 1 0 372.856 3.645 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C12CCCC2 ZINC000437099827 945019592 /nfs/dbraw/zinc/01/95/92/945019592.db2.gz SAHZWOMOMVDGRL-GHBBCFCZSA-N 1 0 369.509 3.971 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)CC1 ZINC000507174220 945023001 /nfs/dbraw/zinc/02/30/01/945023001.db2.gz CBWIJYMQFQZHEA-YWZLYKJASA-N 1 0 361.917 3.915 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)s1 ZINC000511755336 945023775 /nfs/dbraw/zinc/02/37/75/945023775.db2.gz QDLAVBQMWGMWHF-SFHVURJKSA-N 1 0 353.491 3.650 20 30 FHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437846928 945033748 /nfs/dbraw/zinc/03/37/48/945033748.db2.gz RZLMRFWURRAXFO-IBGZPJMESA-N 1 0 369.509 3.629 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000518130927 945055559 /nfs/dbraw/zinc/05/55/59/945055559.db2.gz HFLDMKYTYKBRHV-XOBRGWDASA-N 1 0 364.449 3.779 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000506368611 945056973 /nfs/dbraw/zinc/05/69/73/945056973.db2.gz JLOKWCZGWDQKKB-INIZCTEOSA-N 1 0 372.513 3.977 20 30 FHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000330146447 945376964 /nfs/dbraw/zinc/37/69/64/945376964.db2.gz HXVZAZHQKBKLLG-KRWDZBQOSA-N 1 0 361.534 3.609 20 30 FHEDRO CC[C@H](NC(=O)CN1C[C@H](C)O[C@]2(CCOC2)C1)c1ccc(Cl)cc1 ZINC000330164399 945382723 /nfs/dbraw/zinc/38/27/23/945382723.db2.gz VYHHCAFQBMQHSB-UCLAIMLFSA-N 1 0 366.889 3.627 20 30 FHEDRO Cc1ccc2c(c1C)OC[C@H]2NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330167882 945384733 /nfs/dbraw/zinc/38/47/33/945384733.db2.gz ZNKMAQZZRFIQBN-LJQANCHMSA-N 1 0 357.498 3.648 20 30 FHEDRO CC(C)C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCOCC1 ZINC000507640137 945386628 /nfs/dbraw/zinc/38/66/28/945386628.db2.gz ZQEJFVGQVWCNKZ-KOENEWCDSA-N 1 0 369.553 3.727 20 30 FHEDRO CC(C)C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCOCC1 ZINC000507640138 945387954 /nfs/dbraw/zinc/38/79/54/945387954.db2.gz ZQEJFVGQVWCNKZ-OOMBGRCJSA-N 1 0 369.553 3.727 20 30 FHEDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507648360 945399013 /nfs/dbraw/zinc/39/90/13/945399013.db2.gz GRMIHBFUSNHERK-LYGRKUJNSA-N 1 0 350.510 3.962 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000440326973 945405414 /nfs/dbraw/zinc/40/54/14/945405414.db2.gz IDRQZTXZOWVQFI-HKUYNNGSSA-N 1 0 372.534 3.929 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000330241949 945420532 /nfs/dbraw/zinc/42/05/32/945420532.db2.gz FWHPMKYIRNKABZ-VXGBXAGGSA-N 1 0 350.875 3.723 20 30 FHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)C1 ZINC000330254312 945426810 /nfs/dbraw/zinc/42/68/10/945426810.db2.gz JJGNOTAPLQCUES-HUUCEWRRSA-N 1 0 372.513 3.928 20 30 FHEDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000519450812 945438272 /nfs/dbraw/zinc/43/82/72/945438272.db2.gz JYPRWHNUADMCHV-INIZCTEOSA-N 1 0 360.527 3.886 20 30 FHEDRO O=C(N[C@@H]1Cc2cccc(O)c2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000330276864 945440505 /nfs/dbraw/zinc/44/05/05/945440505.db2.gz NNGHJHCMCIWLTQ-RTBURBONSA-N 1 0 350.462 3.728 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)c2cc3n(n2)CCCO3)c2cccs2)CC1 ZINC000330290721 945459603 /nfs/dbraw/zinc/45/96/03/945459603.db2.gz GBPTVVPJUBHMIJ-MRXNPFEDSA-N 1 0 374.510 3.505 20 30 FHEDRO CC[NH+]=C(NCCc1csc2ccccc12)N1CC[C@]2(CCOC2)C1 ZINC000262013397 945493374 /nfs/dbraw/zinc/49/33/74/945493374.db2.gz XETOPUTZGGDSBZ-FQEVSTJZSA-N 1 0 357.523 3.522 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCc3c(C)cccc3C2)c1 ZINC000729478030 945529526 /nfs/dbraw/zinc/52/95/26/945529526.db2.gz PNOOEOKSCLRPQQ-UHFFFAOYSA-N 1 0 361.489 3.917 20 30 FHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCCC3(C#N)CCOCC3)ccc2NC1=O ZINC000281420466 945627578 /nfs/dbraw/zinc/62/75/78/945627578.db2.gz BPYKJFDVTIQKPD-YJBOKZPZSA-N 1 0 371.481 3.547 20 30 FHEDRO CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546182898 945676079 /nfs/dbraw/zinc/67/60/79/945676079.db2.gz PEGZHLDCZDDONB-KRWDZBQOSA-N 1 0 369.415 3.573 20 30 FHEDRO COc1ccc2c(c1)[C@H](C(=O)N[C@H](C)C1([NH+]3CCOCC3)CCCC1)CC2 ZINC000330362878 945684769 /nfs/dbraw/zinc/68/47/69/945684769.db2.gz ZZRNUFZIQPXNPZ-VQIMIIECSA-N 1 0 372.509 3.715 20 30 FHEDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000519545101 945690786 /nfs/dbraw/zinc/69/07/86/945690786.db2.gz WHVHDFXRWYZYIK-PMACEKPBSA-N 1 0 372.896 3.757 20 30 FHEDRO CNC(=S)C(C(=O)c1sc2ccccc2c1C)[n+]1cccc(C)c1 ZINC000027300881 945702914 /nfs/dbraw/zinc/70/29/14/945702914.db2.gz VYJLGKINZXSQJT-UHFFFAOYSA-O 1 0 355.508 3.964 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(C)cc1 ZINC000027324170 945709223 /nfs/dbraw/zinc/70/92/23/945709223.db2.gz YVVASJGSSCMRIU-UHFFFAOYSA-O 1 0 357.499 3.620 20 30 FHEDRO C[NH+](C)CC[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)C(C)(C)C ZINC001126031403 945715458 /nfs/dbraw/zinc/71/54/58/945715458.db2.gz HMOBWDGTFBTIRM-LJQANCHMSA-N 1 0 359.514 3.590 20 30 FHEDRO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000444032527 945737551 /nfs/dbraw/zinc/73/75/51/945737551.db2.gz CMEPCWCZRQBEAQ-UHFFFAOYSA-N 1 0 369.490 3.653 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000661116375 945748678 /nfs/dbraw/zinc/74/86/78/945748678.db2.gz JIQSEXPKWUVFCZ-WMLDXEAASA-N 1 0 357.454 3.978 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000661116252 945748930 /nfs/dbraw/zinc/74/89/30/945748930.db2.gz XGGFWZZVBJIOKK-UNMCSNQZSA-N 1 0 370.537 3.919 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000661117877 945749815 /nfs/dbraw/zinc/74/98/15/945749815.db2.gz UTSWCYPCUZHMNK-WBVHZDCISA-N 1 0 372.538 3.745 20 30 FHEDRO C=CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1 ZINC000027777224 945789487 /nfs/dbraw/zinc/78/94/87/945789487.db2.gz DOSZRYBYJOWCPM-UHFFFAOYSA-N 1 0 369.421 3.620 20 30 FHEDRO CCN1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519830793 945791847 /nfs/dbraw/zinc/79/18/47/945791847.db2.gz AQQOLDDNZGATKS-RTBURBONSA-N 1 0 358.848 3.671 20 30 FHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)C1 ZINC000651750008 945829800 /nfs/dbraw/zinc/82/98/00/945829800.db2.gz RNCUSPSKNJRMRT-SYNHAJSKSA-N 1 0 355.482 3.861 20 30 FHEDRO N#CC(CC[N@H+]1CC[C@](O)(C(F)(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000193063205 945849381 /nfs/dbraw/zinc/84/93/81/945849381.db2.gz MGGIPJHVUPFKFS-HXUWFJFHSA-N 1 0 374.406 3.885 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000519904471 945889047 /nfs/dbraw/zinc/88/90/47/945889047.db2.gz MDVQHWIMDSNECX-NRFANRHFSA-N 1 0 359.489 3.667 20 30 FHEDRO CC1(C)CN(C(=O)/C=C/c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000729459891 945897522 /nfs/dbraw/zinc/89/75/22/945897522.db2.gz DIZJPVVXIHTVFR-OUKQBFOZSA-N 1 0 359.473 3.694 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000519923677 945901506 /nfs/dbraw/zinc/90/15/06/945901506.db2.gz FZKKQKNQWWKUIG-RBUKOAKNSA-N 1 0 370.541 3.989 20 30 FHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000579098115 945945578 /nfs/dbraw/zinc/94/55/78/945945578.db2.gz CDBLQCXHCGKORP-RTBURBONSA-N 1 0 354.498 3.519 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000661328347 946000202 /nfs/dbraw/zinc/00/02/02/946000202.db2.gz IYGJEEINEUDGGY-RTWAWAEBSA-N 1 0 355.526 3.595 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CCC[NH2+]1 ZINC000662797454 946010544 /nfs/dbraw/zinc/01/05/44/946010544.db2.gz JRMYIZPMQHIWQT-QGZVFWFLSA-N 1 0 364.371 3.528 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)CCC[NH2+]1 ZINC000662804528 946028347 /nfs/dbraw/zinc/02/83/47/946028347.db2.gz ANJSRXPMTFYCTA-LJQANCHMSA-N 1 0 373.547 3.763 20 30 FHEDRO C[NH+]=C(NCc1ccco1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000262506610 946058718 /nfs/dbraw/zinc/05/87/18/946058718.db2.gz AARMCNADSHTQDA-CTYIDZIISA-N 1 0 362.271 3.653 20 30 FHEDRO C[C@@H]1CCN(C(=O)NCC2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000440994963 946096902 /nfs/dbraw/zinc/09/69/02/946096902.db2.gz XUQRZQRUOJQMAL-XEVCZEQESA-N 1 0 368.525 3.622 20 30 FHEDRO N#CC1CCC(CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000441016823 946119175 /nfs/dbraw/zinc/11/91/75/946119175.db2.gz VXRIZUMIMRCDFE-UHFFFAOYSA-N 1 0 360.546 3.662 20 30 FHEDRO COc1cccc([C@@H](C)[NH+]2CCN(c3cc(C#N)c4ccccc4n3)CC2)c1 ZINC000522933980 946123278 /nfs/dbraw/zinc/12/32/78/946123278.db2.gz JEOJEBVAMUYXAV-QGZVFWFLSA-N 1 0 372.472 3.998 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000520127925 946156477 /nfs/dbraw/zinc/15/64/77/946156477.db2.gz LROQYJLBWBJBLJ-OAQYLSRUSA-N 1 0 369.484 3.869 20 30 FHEDRO C=C[C@@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000662869214 946213863 /nfs/dbraw/zinc/21/38/63/946213863.db2.gz YIZQNAIPGAUBAB-NDXORKPFSA-N 1 0 352.453 3.747 20 30 FHEDRO CCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000520171696 946224232 /nfs/dbraw/zinc/22/42/32/946224232.db2.gz ZJDZIMKOHKMKGS-SIKLNZKXSA-N 1 0 350.462 3.697 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](c2ccccc2)C1)C(C)C ZINC000520201134 946274962 /nfs/dbraw/zinc/27/49/62/946274962.db2.gz AUWKIFRQEJGIGW-NHCUHLMSSA-N 1 0 355.526 3.884 20 30 FHEDRO Cc1ccc(NC(=O)[C@@H]2CCCN(CC#Cc3ccccc3Cl)C2)nc1 ZINC000441269548 946362443 /nfs/dbraw/zinc/36/24/43/946362443.db2.gz ZHOFZPKAXMJBNC-GOSISDBHSA-N 1 0 367.880 3.746 20 30 FHEDRO C[C@H](CNc1nc(C(F)(F)F)ccc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000609669251 946374696 /nfs/dbraw/zinc/37/46/96/946374696.db2.gz BHXMDTVHRCNGJU-LLVKDONJSA-N 1 0 366.412 3.892 20 30 FHEDRO CC(C)(C#N)c1ccccc1CN1CC[NH+](CCc2cccs2)CC1 ZINC000487359026 946376166 /nfs/dbraw/zinc/37/61/66/946376166.db2.gz DDSIQJPEMWUURA-UHFFFAOYSA-N 1 0 353.535 3.910 20 30 FHEDRO C[NH+](C)CCOc1ccccc1-c1noc(/C=C/c2cccc(C#N)c2)n1 ZINC000545689105 946406974 /nfs/dbraw/zinc/40/69/74/946406974.db2.gz HWTJBPSSCDDHSW-ZHACJKMWSA-N 1 0 360.417 3.719 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000127189844 946423508 /nfs/dbraw/zinc/42/35/08/946423508.db2.gz CNOXNOPYBWKPAV-CVEARBPZSA-N 1 0 359.901 3.938 20 30 FHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441349622 946501474 /nfs/dbraw/zinc/50/14/74/946501474.db2.gz PLRBUMOBZDNHBX-HRAATJIYSA-N 1 0 362.477 3.788 20 30 FHEDRO C=C(C)COc1cc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)ccc1OC ZINC000897035817 946505845 /nfs/dbraw/zinc/50/58/45/946505845.db2.gz WFPIDTHEZNXOEV-UHFFFAOYSA-N 1 0 373.415 3.787 20 30 FHEDRO N#CC1CCC(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000441374771 946527329 /nfs/dbraw/zinc/52/73/29/946527329.db2.gz WTPSZOQVBUUMJN-UHFFFAOYSA-N 1 0 364.280 3.994 20 30 FHEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000609916450 946539170 /nfs/dbraw/zinc/53/91/70/946539170.db2.gz PJZWHASUTAABCF-AEFFLSMTSA-N 1 0 357.473 3.688 20 30 FHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc(C)ccc1OC ZINC000093404727 946540227 /nfs/dbraw/zinc/54/02/27/946540227.db2.gz YNNHRKDYWSWFBP-HXUWFJFHSA-N 1 0 364.493 3.980 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000520421779 946568706 /nfs/dbraw/zinc/56/87/06/946568706.db2.gz CEOKUINUVPUOQX-MBOZVWFJSA-N 1 0 371.550 3.655 20 30 FHEDRO N#Cc1ccc(CN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000520425425 946577785 /nfs/dbraw/zinc/57/77/85/946577785.db2.gz WAJYESUVPVTDRM-NRFANRHFSA-N 1 0 359.473 3.571 20 30 FHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000783595463 946590500 /nfs/dbraw/zinc/59/05/00/946590500.db2.gz PZSKVCZXXHAERM-MRXNPFEDSA-N 1 0 363.383 3.751 20 30 FHEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000101930620 946614397 /nfs/dbraw/zinc/61/43/97/946614397.db2.gz MQPIZBPGWDSUGP-QGZVFWFLSA-N 1 0 362.477 3.665 20 30 FHEDRO C=CCNC(=O)c1ccc(NC[C@@H](c2ccsc2)[NH+](CC)CC)nc1 ZINC000112514301 946665918 /nfs/dbraw/zinc/66/59/18/946665918.db2.gz IOMZENOROGAQTD-KRWDZBQOSA-N 1 0 358.511 3.554 20 30 FHEDRO C=CCn1c(C(C)C)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000508493191 946679191 /nfs/dbraw/zinc/67/91/91/946679191.db2.gz LANSMXHOQPTXGW-UHFFFAOYSA-N 1 0 359.905 3.563 20 30 FHEDRO [NH2+]=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)NCC1CCC1 ZINC000262462116 946689473 /nfs/dbraw/zinc/68/94/73/946689473.db2.gz XUEWNCUMEPCFCJ-INIZCTEOSA-N 1 0 354.523 3.620 20 30 FHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCCSc2ccc(F)cc2)c1 ZINC000303792740 946691971 /nfs/dbraw/zinc/69/19/71/946691971.db2.gz YRNVFWLAHJGQRW-UHFFFAOYSA-N 1 0 363.458 3.752 20 30 FHEDRO C[C@@H]1C[NH+](C(C)(C)CNc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000609960838 946696179 /nfs/dbraw/zinc/69/61/79/946696179.db2.gz FHTQRHTXEPDARS-CHWSQXEVSA-N 1 0 355.404 3.877 20 30 FHEDRO C=CCn1c(C2CC2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000508493944 946700177 /nfs/dbraw/zinc/70/01/77/946700177.db2.gz ZUSWZZZXZHWYJM-HXUWFJFHSA-N 1 0 365.525 3.832 20 30 FHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000441419589 946706976 /nfs/dbraw/zinc/70/69/76/946706976.db2.gz UAKAUJVTRKMPLT-LJQANCHMSA-N 1 0 352.409 3.943 20 30 FHEDRO CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])N[C@H](C)CCCC(C)C)c1 ZINC000303907207 946733447 /nfs/dbraw/zinc/73/34/47/946733447.db2.gz WRRIELTWVZQVNS-IAGOWNOFSA-N 1 0 360.546 3.834 20 30 FHEDRO CCOc1c(OC)cc(CNC(=[NH2+])Nc2ccc(CC)cc2)cc1OC ZINC000303975084 946751242 /nfs/dbraw/zinc/75/12/42/946751242.db2.gz IMWBMIMTYQHZSY-UHFFFAOYSA-N 1 0 357.454 3.592 20 30 FHEDRO C=CCC1([NH2+]CC(=O)Nc2cccc(C(=O)N(CC)CC)c2)CCCC1 ZINC000661851833 946760350 /nfs/dbraw/zinc/76/03/50/946760350.db2.gz WGQFYCJSPWIOKQ-UHFFFAOYSA-N 1 0 357.498 3.586 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)CCCC1 ZINC000661852157 946761444 /nfs/dbraw/zinc/76/14/44/946761444.db2.gz MHERRCKJKLAYSS-SFHVURJKSA-N 1 0 355.507 3.827 20 30 FHEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H](O)COc1ccccc1C#N ZINC001168074472 946767112 /nfs/dbraw/zinc/76/71/12/946767112.db2.gz UZQYTSGSRVEDDY-RTWAWAEBSA-N 1 0 352.478 3.641 20 30 FHEDRO C=CCC1([NH2+]CC(=O)NCc2cccc(OCC(F)(F)F)c2)CCCC1 ZINC000661862282 946777422 /nfs/dbraw/zinc/77/74/22/946777422.db2.gz HAXKOFBJHKSTRF-UHFFFAOYSA-N 1 0 370.415 3.722 20 30 FHEDRO [NH2+]=C(NCCc1cc(F)ccc1F)Nc1ccc(OC(F)(F)F)cc1 ZINC000304494018 946782309 /nfs/dbraw/zinc/78/23/09/946782309.db2.gz MWXOTIMQWUAIHQ-UHFFFAOYSA-N 1 0 359.298 3.833 20 30 FHEDRO CSc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000304492590 946782358 /nfs/dbraw/zinc/78/23/58/946782358.db2.gz MIPPAPIRKQDHIU-UHFFFAOYSA-N 1 0 369.412 3.912 20 30 FHEDRO N#CC1(CC(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CC1 ZINC000894986376 946822182 /nfs/dbraw/zinc/82/21/82/946822182.db2.gz MCKYHHGZFYDMHT-UHFFFAOYSA-N 1 0 351.372 3.934 20 30 FHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000475290746 946831451 /nfs/dbraw/zinc/83/14/51/946831451.db2.gz JGSYYEYRXVHRKZ-MRXNPFEDSA-N 1 0 373.541 3.570 20 30 FHEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c1 ZINC000305737352 946864385 /nfs/dbraw/zinc/86/43/85/946864385.db2.gz MKSBVEBRJUJLIA-KRWDZBQOSA-N 1 0 360.502 3.840 20 30 FHEDRO Cc1nc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1C#N ZINC000028834171 946893453 /nfs/dbraw/zinc/89/34/53/946893453.db2.gz ATCKUTPYHGWTEE-SFHVURJKSA-N 1 0 368.506 3.526 20 30 FHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508473910 946925017 /nfs/dbraw/zinc/92/50/17/946925017.db2.gz QYNWUFNOROYSLB-FQEVSTJZSA-N 1 0 371.573 3.899 20 30 FHEDRO CC[NH+](CC)[C@@H](CNc1cnc(C#N)cn1)c1ccc(C(F)(F)F)cc1 ZINC000475356345 946937583 /nfs/dbraw/zinc/93/75/83/946937583.db2.gz LWXJCCXXCDFJNH-INIZCTEOSA-N 1 0 363.387 3.862 20 30 FHEDRO O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000328612283 946957033 /nfs/dbraw/zinc/95/70/33/946957033.db2.gz PFJPGUQHGFPNES-WOIUINJBSA-N 1 0 364.493 3.526 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000511918023 946981111 /nfs/dbraw/zinc/98/11/11/946981111.db2.gz YKPGCIWRSIHAEP-AWEZNQCLSA-N 1 0 355.935 3.974 20 30 FHEDRO O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000328692565 946990719 /nfs/dbraw/zinc/99/07/19/946990719.db2.gz JEAGQWPRIVMCIZ-SFHVURJKSA-N 1 0 366.469 3.670 20 30 FHEDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1coc(C2CCOCC2)n1 ZINC000328698802 946994487 /nfs/dbraw/zinc/99/44/87/946994487.db2.gz VGLVPXBNGPTVPL-GOSISDBHSA-N 1 0 369.465 3.538 20 30 FHEDRO CC(C)[C@H](CNC(=O)c1coc(C2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000328776373 947022648 /nfs/dbraw/zinc/02/26/48/947022648.db2.gz FNJWBRZDQGHYNI-SFHVURJKSA-N 1 0 363.502 3.630 20 30 FHEDRO C[C@H]1CN(Cc2cccc(NC(=O)c3ncoc3C3CC3)c2)C[C@H](C)O1 ZINC000328818967 947035813 /nfs/dbraw/zinc/03/58/13/947035813.db2.gz DSNFZQWTKRLBBF-KBPBESRZSA-N 1 0 355.438 3.798 20 30 FHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1 ZINC000328823730 947039958 /nfs/dbraw/zinc/03/99/58/947039958.db2.gz IMMGQYQFHAJHQS-BPQIPLTHSA-N 1 0 363.465 3.918 20 30 FHEDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1coc(C2CCOCC2)n1 ZINC000328790499 947048547 /nfs/dbraw/zinc/04/85/47/947048547.db2.gz LKIHNOLMGRSLAJ-UHFFFAOYSA-N 1 0 361.486 3.670 20 30 FHEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000444619197 947051465 /nfs/dbraw/zinc/05/14/65/947051465.db2.gz JBKWUNSDCNYVOP-DHIUTWEWSA-N 1 0 373.500 3.733 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1nc2ccccc2s1 ZINC000328831933 947055270 /nfs/dbraw/zinc/05/52/70/947055270.db2.gz KOFVAPLIUSOHTP-WNMQOVRZSA-N 1 0 358.467 3.760 20 30 FHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000728710058 947056302 /nfs/dbraw/zinc/05/63/02/947056302.db2.gz MJROBYJHOLQNIK-UHFFFAOYSA-N 1 0 358.445 3.524 20 30 FHEDRO Cc1ccc2c(CCNC(=O)N3CCC([NH+]4CCCCC4)CC3)c[nH]c2c1 ZINC000328851607 947065456 /nfs/dbraw/zinc/06/54/56/947065456.db2.gz ZRHWENXSXYRCNL-UHFFFAOYSA-N 1 0 368.525 3.883 20 30 FHEDRO C[C@@H]1CN(c2ccccc2NC(=O)c2ccc3c[nH+]cn3c2)C[C@H](C)O1 ZINC000328880839 947080522 /nfs/dbraw/zinc/08/05/22/947080522.db2.gz WFKFJGYFFCKZSF-GASCZTMLSA-N 1 0 350.422 3.584 20 30 FHEDRO COC(=O)[C@@]1(C)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444643215 947085742 /nfs/dbraw/zinc/08/57/42/947085742.db2.gz SYUUMLCSPFUIDN-QFIPXVFZSA-N 1 0 362.473 3.771 20 30 FHEDRO C[N@@H+]1C[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)[C@H](c2ccccc2)C1 ZINC000328950261 947098434 /nfs/dbraw/zinc/09/84/34/947098434.db2.gz WWKOODCITCPBJJ-HKUYNNGSSA-N 1 0 366.509 3.918 20 30 FHEDRO C[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)CCC1=O ZINC000328905505 947102469 /nfs/dbraw/zinc/10/24/69/947102469.db2.gz KCIPAOMOMVOWNX-KGLIPLIRSA-N 1 0 363.889 3.685 20 30 FHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444711014 947137698 /nfs/dbraw/zinc/13/76/98/947137698.db2.gz WJBVFVFRAQRDHK-GYMHETDLSA-N 1 0 359.436 3.580 20 30 FHEDRO COc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000330478541 947181113 /nfs/dbraw/zinc/18/11/13/947181113.db2.gz YBDVRMNNROEAAA-UHFFFAOYSA-N 1 0 370.291 3.656 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000444745894 947182596 /nfs/dbraw/zinc/18/25/96/947182596.db2.gz UAXMZZNRLXTJNF-OGHNNQOOSA-N 1 0 366.303 3.543 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444751562 947187934 /nfs/dbraw/zinc/18/79/34/947187934.db2.gz FEQRXZTVDXKHFS-ROUUACIJSA-N 1 0 357.498 3.698 20 30 FHEDRO C=CC[C@H]1[N@H+](C[C@@H](O)COc2c(OC)cccc2OC)CCCC1(C)C ZINC000444776845 947212789 /nfs/dbraw/zinc/21/27/89/947212789.db2.gz CWKFSRWGTLAANJ-VQIMIIECSA-N 1 0 363.498 3.510 20 30 FHEDRO C=CC[C@@H]1[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CCCC1(C)C ZINC000444778112 947213665 /nfs/dbraw/zinc/21/36/65/947213665.db2.gz HNGCGNIIUZXJEC-CTNGQTDRSA-N 1 0 369.553 3.696 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000523391633 947216483 /nfs/dbraw/zinc/21/64/83/947216483.db2.gz CCLFJUOKXJUXHW-QHCPKHFHSA-N 1 0 369.468 3.576 20 30 FHEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CCCC1(C)C ZINC000444788349 947229132 /nfs/dbraw/zinc/22/91/32/947229132.db2.gz UOJUBAMUKMTVJF-IBGZPJMESA-N 1 0 369.509 3.819 20 30 FHEDRO C[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000330780884 947271808 /nfs/dbraw/zinc/27/18/08/947271808.db2.gz FFXMREYQXAJVIX-CQSZACIVSA-N 1 0 361.534 3.912 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000330798956 947276752 /nfs/dbraw/zinc/27/67/52/947276752.db2.gz IBWYURVHZWUREC-HVMFNXBNSA-N 1 0 367.578 3.528 20 30 FHEDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC000330908301 947308141 /nfs/dbraw/zinc/30/81/41/947308141.db2.gz OKMGCFBQGRLLOC-GOEBONIOSA-N 1 0 360.502 3.716 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000330991760 947328468 /nfs/dbraw/zinc/32/84/68/947328468.db2.gz KSIYWUNPKXJQOC-TZMCWYRMSA-N 1 0 364.559 3.838 20 30 FHEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000331119478 947351900 /nfs/dbraw/zinc/35/19/00/947351900.db2.gz LRBZNEUXOQDQSB-DOTOQJQBSA-N 1 0 360.502 3.694 20 30 FHEDRO COc1cc(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)ccc1C#N ZINC000440613639 947361050 /nfs/dbraw/zinc/36/10/50/947361050.db2.gz LVTDTCCETKEABO-LLVKDONJSA-N 1 0 366.387 3.793 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000523549424 947362627 /nfs/dbraw/zinc/36/26/27/947362627.db2.gz NJRAYCOZYZIQFW-CYBMUJFWSA-N 1 0 358.404 3.730 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)NC)c(Cl)c2)C[C@H]1C ZINC000331282944 947376098 /nfs/dbraw/zinc/37/60/98/947376098.db2.gz LYYGIFXYGWYLIO-OCCSQVGLSA-N 1 0 366.893 3.625 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)ccc2OC(F)F)C[C@@H]1C ZINC000331277749 947376652 /nfs/dbraw/zinc/37/66/52/947376652.db2.gz JNWCFHYJMRRIEY-QWHCGFSZSA-N 1 0 371.428 3.647 20 30 FHEDRO Cc1ccc(NC(=O)N(C)C)cc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000331248796 947380387 /nfs/dbraw/zinc/38/03/87/947380387.db2.gz URUVNWDKGDFHQA-UHFFFAOYSA-N 1 0 360.502 3.553 20 30 FHEDRO Cc1ccc(Cl)c(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000331252356 947381402 /nfs/dbraw/zinc/38/14/02/947381402.db2.gz UJWLHCRPTKRCJA-AWEZNQCLSA-N 1 0 367.921 3.527 20 30 FHEDRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 ZINC000331264961 947383524 /nfs/dbraw/zinc/38/35/24/947383524.db2.gz PDTAOMOFXYOAEH-YPMHNXCESA-N 1 0 355.429 3.951 20 30 FHEDRO Cc1cc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1OC(C)C ZINC000331294721 947391720 /nfs/dbraw/zinc/39/17/20/947391720.db2.gz RLCDVTLNNCXOOQ-SFHVURJKSA-N 1 0 351.516 3.545 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000441441296 947420893 /nfs/dbraw/zinc/42/08/93/947420893.db2.gz BGQMOXVESHTQRM-SFTDATJTSA-N 1 0 359.510 3.578 20 30 FHEDRO N#Cc1cnc2c(Br)cccc2c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000440633569 947425391 /nfs/dbraw/zinc/42/53/91/947425391.db2.gz BLLLNBWHRLKVFY-KBPBESRZSA-N 1 0 371.282 3.908 20 30 FHEDRO N#Cc1cnc2c(Br)cccc2c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000440633572 947427565 /nfs/dbraw/zinc/42/75/65/947427565.db2.gz BLLLNBWHRLKVFY-ZIAGYGMSSA-N 1 0 371.282 3.908 20 30 FHEDRO COCCCOc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440640591 947464544 /nfs/dbraw/zinc/46/45/44/947464544.db2.gz WVDDRIRWILVNCL-UHFFFAOYSA-N 1 0 354.450 3.580 20 30 FHEDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)c2ccc(F)cc2C1 ZINC000184535215 947470251 /nfs/dbraw/zinc/47/02/51/947470251.db2.gz NHPMBQWAYQKISG-SZNDQCEHSA-N 1 0 351.425 3.841 20 30 FHEDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)c2ccc(F)cc2C1 ZINC000184535200 947470413 /nfs/dbraw/zinc/47/04/13/947470413.db2.gz NHPMBQWAYQKISG-QKKBWIMNSA-N 1 0 351.425 3.841 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000280805734 947559395 /nfs/dbraw/zinc/55/93/95/947559395.db2.gz LIYSUDPEYIFLPF-IYOUNJFTSA-N 1 0 370.415 3.993 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189606734 947782446 /nfs/dbraw/zinc/78/24/46/947782446.db2.gz WLOCUHVEUSEXIT-WMZOPIPTSA-N 1 0 370.415 3.942 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)CCC[NH2+]1 ZINC000662472631 947839580 /nfs/dbraw/zinc/83/95/80/947839580.db2.gz CAAIRQDMIQRNGH-OAQYLSRUSA-N 1 0 373.472 3.981 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC000662493300 947861059 /nfs/dbraw/zinc/86/10/59/947861059.db2.gz JUGGGFRAAPYOFH-SFTQSGBHSA-N 1 0 372.353 3.710 20 30 FHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(F)c1OC)[C@@H]2CC ZINC001143525098 947863494 /nfs/dbraw/zinc/86/34/94/947863494.db2.gz YDRWYDJAIIZKMR-NQIIRXRSSA-N 1 0 360.473 3.756 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(OCCCC)c(OC)c2)CCC[NH2+]1 ZINC000662508436 947876978 /nfs/dbraw/zinc/87/69/78/947876978.db2.gz BSFOPFMGXVYUGL-HRAATJIYSA-N 1 0 360.498 3.750 20 30 FHEDRO C=CC[C@@]1(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)CCC[NH2+]1 ZINC000662515220 947886329 /nfs/dbraw/zinc/88/63/29/947886329.db2.gz JAJZBKVILIIENL-QFIPXVFZSA-N 1 0 369.509 3.520 20 30 FHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000511975870 947910822 /nfs/dbraw/zinc/91/08/22/947910822.db2.gz XKYXQRXCCSDRDQ-UHFFFAOYSA-N 1 0 355.869 3.982 20 30 FHEDRO C=CCC[C@H](C(=O)NC1CC[NH+](CCOC(C)C)CC1)c1ccccc1 ZINC000190072074 947916285 /nfs/dbraw/zinc/91/62/85/947916285.db2.gz ATCRCCVIRAQAHA-NRFANRHFSA-N 1 0 358.526 3.742 20 30 FHEDRO C=CCC1(CNC(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CCCC1 ZINC000459047749 947998664 /nfs/dbraw/zinc/99/86/64/947998664.db2.gz CROHOTXSNBNXOC-HXUWFJFHSA-N 1 0 370.541 3.681 20 30 FHEDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000511981773 948009779 /nfs/dbraw/zinc/00/97/79/948009779.db2.gz FNYZFXIWGNBYNJ-GOSISDBHSA-N 1 0 363.461 3.569 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180155642 948053314 /nfs/dbraw/zinc/05/33/14/948053314.db2.gz FZAUVLMAESFHTO-CALCHBBNSA-N 1 0 353.510 3.728 20 30 FHEDRO C=CCC1(CNC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCCC1 ZINC000459107734 948175677 /nfs/dbraw/zinc/17/56/77/948175677.db2.gz PYOVDNBFJUQUGY-PMACEKPBSA-N 1 0 370.541 3.852 20 30 FHEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000585755351 948265147 /nfs/dbraw/zinc/26/51/47/948265147.db2.gz BZQZBEQIJMFJNH-GOSISDBHSA-N 1 0 372.266 3.965 20 30 FHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)c1ccccc1 ZINC000585754642 948267949 /nfs/dbraw/zinc/26/79/49/948267949.db2.gz UHOWOKOBJZTXGL-UHFFFAOYSA-N 1 0 373.460 3.550 20 30 FHEDRO C[C@@H]1CC(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000549626477 948379268 /nfs/dbraw/zinc/37/92/68/948379268.db2.gz SBBNNRYXISFPLV-QZTJIDSGSA-N 1 0 355.526 3.706 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(Br)c(C)cc2Cl)CC1 ZINC000839451911 948393459 /nfs/dbraw/zinc/39/34/59/948393459.db2.gz SEONGPSVFLELBE-UHFFFAOYSA-N 1 0 369.690 3.695 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)C(=O)NC1(C#N)CCCCC1 ZINC000062239717 948410574 /nfs/dbraw/zinc/41/05/74/948410574.db2.gz HTZZETDOFKZDDY-CHWSQXEVSA-N 1 0 351.853 3.861 20 30 FHEDRO C#CCOc1ccccc1CNc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000183776729 948457691 /nfs/dbraw/zinc/45/76/91/948457691.db2.gz CZAISAKTTQRHCR-UHFFFAOYSA-N 1 0 365.477 3.509 20 30 FHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000190703794 948516552 /nfs/dbraw/zinc/51/65/52/948516552.db2.gz SGPCWJVCMXAVHM-AWEZNQCLSA-N 1 0 369.431 3.624 20 30 FHEDRO CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000473215031 948538009 /nfs/dbraw/zinc/53/80/09/948538009.db2.gz LXLXIDURBNHVMP-GOSISDBHSA-N 1 0 373.378 3.814 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2ccnc3ccc(Br)cc32)CC1 ZINC000520683901 948580581 /nfs/dbraw/zinc/58/05/81/948580581.db2.gz YVLFGRNRKVSMKB-UHFFFAOYSA-N 1 0 360.299 3.872 20 30 FHEDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)n(-c2ccc(C)cc2)n1 ZINC000574858814 948634907 /nfs/dbraw/zinc/63/49/07/948634907.db2.gz BRSDVEREIKOMRZ-QGZVFWFLSA-N 1 0 373.460 3.650 20 30 FHEDRO CC[N@H+](CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC1 ZINC000520722864 948706923 /nfs/dbraw/zinc/70/69/23/948706923.db2.gz ORRBODIZVYQADC-UHFFFAOYSA-N 1 0 367.424 3.704 20 30 FHEDRO C=C(C)C[N@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccc(CO)o1 ZINC000512183005 948709338 /nfs/dbraw/zinc/70/93/38/948709338.db2.gz ULKIZNFLMQXYFA-UHFFFAOYSA-N 1 0 367.449 3.833 20 30 FHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000438641522 948754213 /nfs/dbraw/zinc/75/42/13/948754213.db2.gz MIGNHHYQDJCFQA-STQMWFEESA-N 1 0 368.403 3.961 20 30 FHEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000524045171 948813926 /nfs/dbraw/zinc/81/39/26/948813926.db2.gz DZMVICAFVHCPIH-QGZVFWFLSA-N 1 0 365.477 3.597 20 30 FHEDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1OC ZINC000237233966 948819064 /nfs/dbraw/zinc/81/90/64/948819064.db2.gz JMRYTADUMXPZHT-KRWDZBQOSA-N 1 0 367.493 3.774 20 30 FHEDRO CC(C)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC000107937558 206026904 /nfs/dbraw/zinc/02/69/04/206026904.db2.gz QCCMYQMELDIGGY-XLIONFOSSA-N 1 0 356.514 3.819 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000110298482 206072466 /nfs/dbraw/zinc/07/24/66/206072466.db2.gz GHOLBKGBUQMGFM-UHFFFAOYSA-N 1 0 365.452 3.981 20 30 FHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000601743947 567833539 /nfs/dbraw/zinc/83/35/39/567833539.db2.gz FDFDIBFZUQMIEN-FQEVSTJZSA-N 1 0 353.510 3.941 20 30 FHEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000366005431 567835903 /nfs/dbraw/zinc/83/59/03/567835903.db2.gz CVRYBWXJOVDKPY-MZRZTIOWSA-N 1 0 361.917 3.752 20 30 FHEDRO CC(C)[NH2+]C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000264941472 567844790 /nfs/dbraw/zinc/84/47/90/567844790.db2.gz IIBGEENQPGPBNT-UHFFFAOYSA-N 1 0 360.408 3.675 20 30 FHEDRO CC(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(O)c1 ZINC000436555484 567851449 /nfs/dbraw/zinc/85/14/49/567851449.db2.gz KTJNNNZIQPXRNK-UHFFFAOYSA-N 1 0 365.477 3.591 20 30 FHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024664152 567894236 /nfs/dbraw/zinc/89/42/36/567894236.db2.gz NKCZYKJFGBFBKT-DOTOQJQBSA-N 1 0 374.444 3.906 20 30 FHEDRO N#Cc1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000568131678 567911836 /nfs/dbraw/zinc/91/18/36/567911836.db2.gz NXZBQEMFGXXGNO-OAQYLSRUSA-N 1 0 361.489 3.899 20 30 FHEDRO Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(C#N)cc2Cl)cn1 ZINC000366009702 567930045 /nfs/dbraw/zinc/93/00/45/567930045.db2.gz LUBPJOBGDQEDDA-CYBMUJFWSA-N 1 0 351.841 3.952 20 30 FHEDRO Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1C ZINC000062368367 567950022 /nfs/dbraw/zinc/95/00/22/567950022.db2.gz TXMZKRLQYGRMBM-UHFFFAOYSA-N 1 0 350.466 3.771 20 30 FHEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000481460581 567961278 /nfs/dbraw/zinc/96/12/78/567961278.db2.gz SPBDNOVKXLURQT-VBKZILBWSA-N 1 0 371.868 3.906 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000602492139 567986283 /nfs/dbraw/zinc/98/62/83/567986283.db2.gz SDSPGHFZUQLOQI-SFHVURJKSA-N 1 0 373.566 3.789 20 30 FHEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000602518333 567986880 /nfs/dbraw/zinc/98/68/80/567986880.db2.gz POANOXDAFBLCOV-QLOJAFMTSA-N 1 0 369.509 3.811 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000602518896 567986936 /nfs/dbraw/zinc/98/69/36/567986936.db2.gz SMSYIXLDHZJECP-OAHLLOKOSA-N 1 0 363.889 3.747 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000602522259 567987351 /nfs/dbraw/zinc/98/73/51/567987351.db2.gz UBZCJDHCDJAANO-AWEZNQCLSA-N 1 0 356.388 3.773 20 30 FHEDRO CCC[C@@H]([NH2+]C[C@H](C)CCC#N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000602526266 567987781 /nfs/dbraw/zinc/98/77/81/567987781.db2.gz GQZJTQLTJMSRBK-YLJYHZDGSA-N 1 0 356.514 3.923 20 30 FHEDRO CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602525838 567987782 /nfs/dbraw/zinc/98/77/82/567987782.db2.gz CVOQSDPJDKCCEU-QGZVFWFLSA-N 1 0 357.498 3.860 20 30 FHEDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C1CCC(C#N)CC1 ZINC000602529743 567988230 /nfs/dbraw/zinc/98/82/30/567988230.db2.gz RAWGRVLTIPXQMO-AOCRQIFASA-N 1 0 354.498 3.676 20 30 FHEDRO CC[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)N1CCc2ccccc2C1 ZINC000602512712 567989417 /nfs/dbraw/zinc/98/94/17/567989417.db2.gz SICKMBNZOIAQTF-NQIIRXRSSA-N 1 0 355.526 3.512 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000602550165 567990639 /nfs/dbraw/zinc/99/06/39/567990639.db2.gz IDBJYHRQVGUBJB-IRXDYDNUSA-N 1 0 361.917 3.997 20 30 FHEDRO CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602578472 567993455 /nfs/dbraw/zinc/99/34/55/567993455.db2.gz VIFZRXBFVRAEFB-OAHLLOKOSA-N 1 0 350.890 3.970 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 ZINC000481500319 567996820 /nfs/dbraw/zinc/99/68/20/567996820.db2.gz XMBRBZMYZKYVOX-NQIIRXRSSA-N 1 0 368.452 3.707 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000602625055 567999115 /nfs/dbraw/zinc/99/91/15/567999115.db2.gz WZQCEHWECVOAFW-PZJWPPBQSA-N 1 0 355.526 3.730 20 30 FHEDRO Cc1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1Br ZINC000602631378 568000958 /nfs/dbraw/zinc/00/09/58/568000958.db2.gz TXGFFLLXVSNUOM-AWEZNQCLSA-N 1 0 351.288 3.946 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000602639507 568002685 /nfs/dbraw/zinc/00/26/85/568002685.db2.gz SNCVQXXBDCTYCF-PIPMEXSNSA-N 1 0 374.500 3.588 20 30 FHEDRO CC1=Nc2ccccc2C12CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000602858896 568003105 /nfs/dbraw/zinc/00/31/05/568003105.db2.gz COGHIIWHQNIFHI-IERDGZPVSA-N 1 0 366.509 3.569 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602641434 568003126 /nfs/dbraw/zinc/00/31/26/568003126.db2.gz RKRFCORCWDNHDQ-LBPRGKRZSA-N 1 0 371.359 3.802 20 30 FHEDRO N#CC1(CCC[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CCOCC1 ZINC000602888893 568006647 /nfs/dbraw/zinc/00/66/47/568006647.db2.gz UFLMYIZGXBRVIQ-GOSISDBHSA-N 1 0 350.466 3.520 20 30 FHEDRO N#CC1(CCC[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CCOCC1 ZINC000602888895 568006661 /nfs/dbraw/zinc/00/66/61/568006661.db2.gz UFLMYIZGXBRVIQ-SFHVURJKSA-N 1 0 350.466 3.520 20 30 FHEDRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@@H](C)CC#N ZINC000602868592 568008631 /nfs/dbraw/zinc/00/86/31/568008631.db2.gz JPSKFIIMINPYPH-ZDUSSCGKSA-N 1 0 352.276 3.676 20 30 FHEDRO CC(C)C[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000602693708 568015684 /nfs/dbraw/zinc/01/56/84/568015684.db2.gz IFRXGZQWDJKONS-SJORKVTESA-N 1 0 352.519 3.679 20 30 FHEDRO CN(CCOCc1ccc(C#N)cc1)Cc1ncc(C(F)(F)F)s1 ZINC000568328196 568024735 /nfs/dbraw/zinc/02/47/35/568024735.db2.gz KAHFTMFLDLZNCS-UHFFFAOYSA-N 1 0 355.385 3.682 20 30 FHEDRO Cc1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1Br ZINC000602750119 568029720 /nfs/dbraw/zinc/02/97/20/568029720.db2.gz BNEINGLXVQQMIU-AWEZNQCLSA-N 1 0 351.288 3.946 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000602783378 568039587 /nfs/dbraw/zinc/03/95/87/568039587.db2.gz YYOHDXSIGBBYGH-SJLPKXTDSA-N 1 0 358.486 3.563 20 30 FHEDRO CN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602806182 568048585 /nfs/dbraw/zinc/04/85/85/568048585.db2.gz MFESXGXRMXQBHO-QUCCMNQESA-N 1 0 354.498 3.871 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000481569839 568052190 /nfs/dbraw/zinc/05/21/90/568052190.db2.gz HMOAQAUDQXJXPU-DOTOQJQBSA-N 1 0 353.491 3.638 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)Cn1cccn1 ZINC000066905397 568068434 /nfs/dbraw/zinc/06/84/34/568068434.db2.gz JUJIYCQSDVJHOJ-SFHVURJKSA-N 1 0 360.461 3.760 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCNC(=O)c1cccc(F)c1 ZINC000481672099 568080935 /nfs/dbraw/zinc/08/09/35/568080935.db2.gz QPMOKOKRVXPYAC-OAQYLSRUSA-N 1 0 365.452 3.875 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCc1nnc2n1CCCCC2 ZINC000481666766 568080959 /nfs/dbraw/zinc/08/09/59/568080959.db2.gz RLRXGAPMHLWWBU-HXUWFJFHSA-N 1 0 363.509 3.866 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000481715882 568094336 /nfs/dbraw/zinc/09/43/36/568094336.db2.gz YXXFNIVOSDFXLI-UHFFFAOYSA-N 1 0 354.429 3.861 20 30 FHEDRO C=CCc1cc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)cc(OC)c1O ZINC000603518876 568112782 /nfs/dbraw/zinc/11/27/82/568112782.db2.gz OUCQRJHORKMGSB-QGZVFWFLSA-N 1 0 355.434 3.751 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCC4(CCCO4)CC3)C2)c(F)c1 ZINC000568706014 568132366 /nfs/dbraw/zinc/13/23/66/568132366.db2.gz SZKPRSMGGZSGDS-WBTXTPOCSA-N 1 0 357.473 3.748 20 30 FHEDRO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC(C)C ZINC000026450306 568178887 /nfs/dbraw/zinc/17/88/87/568178887.db2.gz TVIRKJRFSOCKIS-UHFFFAOYSA-N 1 0 374.529 3.635 20 30 FHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000568754161 568180208 /nfs/dbraw/zinc/18/02/08/568180208.db2.gz DUECMXJUQUDLQG-FPOVZHCZSA-N 1 0 368.502 3.505 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000481913260 568182006 /nfs/dbraw/zinc/18/20/06/568182006.db2.gz DTVKTJIJZGPYLJ-YJBOKZPZSA-N 1 0 351.416 3.800 20 30 FHEDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181914217 568195516 /nfs/dbraw/zinc/19/55/16/568195516.db2.gz GBXIQKXBNAITAD-UZLBHIALSA-N 1 0 369.534 3.686 20 30 FHEDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000482007975 568226500 /nfs/dbraw/zinc/22/65/00/568226500.db2.gz PZJKGOZLXNDGFY-SFHVURJKSA-N 1 0 374.531 3.971 20 30 FHEDRO N#CC1(NC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)CCCCC1 ZINC000302594778 568233108 /nfs/dbraw/zinc/23/31/08/568233108.db2.gz QCFVPPLXTGHMCN-NRFANRHFSA-N 1 0 361.489 3.903 20 30 FHEDRO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1=O ZINC000568854599 568236957 /nfs/dbraw/zinc/23/69/57/568236957.db2.gz OCPGKYHTNNOHIQ-XOBRGWDASA-N 1 0 369.415 3.678 20 30 FHEDRO Cc1csc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C#N ZINC000568881898 568244220 /nfs/dbraw/zinc/24/42/20/568244220.db2.gz YTLMKXJXSXBEMV-INIZCTEOSA-N 1 0 360.527 3.904 20 30 FHEDRO CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604416471 568274566 /nfs/dbraw/zinc/27/45/66/568274566.db2.gz SGZQMNNEIBKVSN-FQEVSTJZSA-N 1 0 356.441 3.542 20 30 FHEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)c1 ZINC000569025074 568275246 /nfs/dbraw/zinc/27/52/46/568275246.db2.gz PILQAYWOSQMNQJ-KRWDZBQOSA-N 1 0 369.490 3.664 20 30 FHEDRO COc1ccccc1C[N@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000303810575 568286932 /nfs/dbraw/zinc/28/69/32/568286932.db2.gz IHILNVWDGUSCLF-UHFFFAOYSA-N 1 0 352.434 3.619 20 30 FHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024664144 568294184 /nfs/dbraw/zinc/29/41/84/568294184.db2.gz NKCZYKJFGBFBKT-NVXWUHKLSA-N 1 0 374.444 3.906 20 30 FHEDRO C=CCN(CC(=O)N[C@H](C)Cc1ccccc1C)Cc1cccc(C#N)c1 ZINC000604487255 568298347 /nfs/dbraw/zinc/29/83/47/568298347.db2.gz IPERLMXJBGFGDI-LJQANCHMSA-N 1 0 361.489 3.602 20 30 FHEDRO COc1ccc(C[NH2+]C[C@H](C)N2CCCC[C@H]2C)cc1OCCCC#N ZINC000604512416 568306567 /nfs/dbraw/zinc/30/65/67/568306567.db2.gz IFGBOHWMLWWZBN-MSOLQXFVSA-N 1 0 359.514 3.730 20 30 FHEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569240129 568317349 /nfs/dbraw/zinc/31/73/49/568317349.db2.gz JYYYAVPXEDXLLU-XHSDSOJGSA-N 1 0 350.466 3.711 20 30 FHEDRO C[NH+](C)Cc1cc(-c2noc(Cc3c(F)cccc3C#N)n2)ccc1F ZINC000569289034 568334343 /nfs/dbraw/zinc/33/43/43/568334343.db2.gz GRIYKLPXSHYGNS-UHFFFAOYSA-N 1 0 354.360 3.539 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1C#N ZINC000570027936 568441959 /nfs/dbraw/zinc/44/19/59/568441959.db2.gz VOAZJDKANIGUBW-MRXNPFEDSA-N 1 0 370.497 3.684 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC(=O)N(c3ccc(Cl)c(F)c3)C1)CC2 ZINC000569974627 568445439 /nfs/dbraw/zinc/44/54/39/568445439.db2.gz VBVMTVPXKQQAGE-KUHUBIRLSA-N 1 0 369.827 3.733 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000570140665 568454278 /nfs/dbraw/zinc/45/42/78/568454278.db2.gz KDMXEIAITSYDKE-KRWDZBQOSA-N 1 0 363.461 3.812 20 30 FHEDRO Cc1ccncc1CCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000570248304 568466308 /nfs/dbraw/zinc/46/63/08/568466308.db2.gz OQNHPEWNZUHMRY-UHFFFAOYSA-N 1 0 354.885 3.670 20 30 FHEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000570632983 568492150 /nfs/dbraw/zinc/49/21/50/568492150.db2.gz QIKKZCSYNJWHIF-LJQANCHMSA-N 1 0 363.465 3.877 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000056642548 568607047 /nfs/dbraw/zinc/60/70/47/568607047.db2.gz FSIUHCYKGKBMKP-MRXNPFEDSA-N 1 0 358.486 3.733 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cc(C#N)ccc2OC)c1 ZINC000050091449 568704255 /nfs/dbraw/zinc/70/42/55/568704255.db2.gz DSVQYPBZBRGUIM-UHFFFAOYSA-N 1 0 366.465 3.730 20 30 FHEDRO COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1C#N ZINC000182059243 568707364 /nfs/dbraw/zinc/70/73/64/568707364.db2.gz ANAAPCMFULRDPO-UHFFFAOYSA-N 1 0 364.493 3.709 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000828258043 602052387 /nfs/dbraw/zinc/05/23/87/602052387.db2.gz OSOSYIYCLWFWHA-UWJYYQICSA-N 1 0 369.509 3.660 20 30 FHEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824764055 608463060 /nfs/dbraw/zinc/46/30/60/608463060.db2.gz RZYFYPMLVMCSKG-HNNXBMFYSA-N 1 0 356.433 3.589 20 30 FHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164421259 718891780 /nfs/dbraw/zinc/89/17/80/718891780.db2.gz WOOYQLHECXCKGU-OAHLLOKOSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626494 719051191 /nfs/dbraw/zinc/05/11/91/719051191.db2.gz SBMABDWATHWGFO-ROUUACIJSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cc(F)c(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623843 719054188 /nfs/dbraw/zinc/05/41/88/719054188.db2.gz NDYMKTUOJZZDFI-QAPCUYQASA-N 1 0 370.859 3.847 20 30 FHEDRO N#Cc1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc2ccc(Cl)cc12 ZINC001164775207 721301662 /nfs/dbraw/zinc/30/16/62/721301662.db2.gz SFRRJAYEGZLTSS-UHFFFAOYSA-N 1 0 352.869 3.682 20 30 FHEDRO C[NH+](C)CC1CCN(c2cnc(Cl)nc2Oc2ccc(C#N)cc2)CC1 ZINC001165041974 721951175 /nfs/dbraw/zinc/95/11/75/721951175.db2.gz FPWQGUMHGCDRFZ-UHFFFAOYSA-N 1 0 371.872 3.572 20 30 FHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165049406 721971443 /nfs/dbraw/zinc/97/14/43/721971443.db2.gz SFFBFUNTVQHSCA-OAHLLOKOSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1c(Cl)ccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994635 722196460 /nfs/dbraw/zinc/19/64/60/722196460.db2.gz ONXHYBMAOGCVIW-FQEVSTJZSA-N 1 0 370.859 3.991 20 30 FHEDRO C=CCOc1c(Cl)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000628182198 936324186 /nfs/dbraw/zinc/32/41/86/936324186.db2.gz ITMSZAPEBWTEAZ-INIZCTEOSA-N 1 0 364.917 3.831 20 30 FHEDRO N#Cc1ccsc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000052050647 936369152 /nfs/dbraw/zinc/36/91/52/936369152.db2.gz QVKPZUCVSWFHAH-UHFFFAOYSA-N 1 0 353.491 3.926 20 30 FHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000246834065 927039369 /nfs/dbraw/zinc/03/93/69/927039369.db2.gz UJRIXAFQGXAXFV-RKVPGOIHSA-N 1 0 351.425 3.902 20 30 FHEDRO C[NH+](C)C1(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCC1 ZINC000120093080 927196221 /nfs/dbraw/zinc/19/62/21/927196221.db2.gz UXHKNBJMUHAPSY-UHFFFAOYSA-N 1 0 353.397 3.912 20 30 FHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1C#N ZINC000175275941 927244226 /nfs/dbraw/zinc/24/42/26/927244226.db2.gz DZBGOMGGRVRIHH-QGZVFWFLSA-N 1 0 353.491 3.604 20 30 FHEDRO C[NH+](C)CCOc1ccc(-c2noc(-c3ccc(C#N)c(Cl)c3)n2)cc1 ZINC000579772309 927372221 /nfs/dbraw/zinc/37/22/21/927372221.db2.gz XVLOIXZDGQNNOL-UHFFFAOYSA-N 1 0 368.824 3.869 20 30 FHEDRO N#CCc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000079648831 937169180 /nfs/dbraw/zinc/16/91/80/937169180.db2.gz RPQUQDDWBZMYRA-UHFFFAOYSA-N 1 0 366.440 3.678 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCC2(CC#N)CC2)C1 ZINC000430175591 927531906 /nfs/dbraw/zinc/53/19/06/927531906.db2.gz CUYGBGBQONTGND-HDICACEKSA-N 1 0 368.525 3.658 20 30 FHEDRO CC(C)Oc1ccc([C@H](CNc2nccc(C#N)c2Cl)[NH+](C)C)cc1 ZINC000583166273 937198159 /nfs/dbraw/zinc/19/81/59/937198159.db2.gz KVOXNMLWILNCCG-KRWDZBQOSA-N 1 0 358.873 3.531 20 30 FHEDRO N#Cc1ccsc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246877208 927861959 /nfs/dbraw/zinc/86/19/59/927861959.db2.gz CWHNLZYNKCMMSB-RBUKOAKNSA-N 1 0 365.502 3.746 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579816901 927915361 /nfs/dbraw/zinc/91/53/61/927915361.db2.gz NNBWFSLGSYETRO-IFMALSPDSA-N 1 0 374.488 3.509 20 30 FHEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000175323832 928153652 /nfs/dbraw/zinc/15/36/52/928153652.db2.gz PYDAQWZAGIQKNQ-UHFFFAOYSA-N 1 0 365.452 3.534 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)cc1 ZINC000610215469 928190603 /nfs/dbraw/zinc/19/06/03/928190603.db2.gz XWOTXYBGJVLPBY-ROUUACIJSA-N 1 0 357.498 3.842 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H](CO)Cc2ccccc2C)ccc1OC ZINC000466899005 928215200 /nfs/dbraw/zinc/21/52/00/928215200.db2.gz FJBRFYQVCIFDCL-FQEVSTJZSA-N 1 0 355.478 3.652 20 30 FHEDRO C[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(OCC#N)cc1 ZINC000274779838 928268265 /nfs/dbraw/zinc/26/82/65/928268265.db2.gz OZDZYSKUZJQNQZ-CYBMUJFWSA-N 1 0 354.841 3.980 20 30 FHEDRO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000535962157 937242283 /nfs/dbraw/zinc/24/22/83/937242283.db2.gz BURQGZZJCWUUPQ-INIZCTEOSA-N 1 0 366.461 3.807 20 30 FHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000157688503 928429327 /nfs/dbraw/zinc/42/93/27/928429327.db2.gz HKPIAYUXQLDKKJ-MRXNPFEDSA-N 1 0 358.486 3.541 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C\c2ccccc2C#N)CC1 ZINC000254954444 928485794 /nfs/dbraw/zinc/48/57/94/928485794.db2.gz GXWPVLZDFMIUIS-YUIUBULTSA-N 1 0 359.473 3.913 20 30 FHEDRO N#Cc1cc(Cl)c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000598559867 928841152 /nfs/dbraw/zinc/84/11/52/928841152.db2.gz IZFGWJZPNISEBA-CYBMUJFWSA-N 1 0 366.292 3.717 20 30 FHEDRO N#Cc1ccc(CC[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001208921062 929009600 /nfs/dbraw/zinc/00/96/00/929009600.db2.gz XGIZXHLICYFAOU-UHFFFAOYSA-N 1 0 373.422 3.937 20 30 FHEDRO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)n1 ZINC000578285517 929137505 /nfs/dbraw/zinc/13/75/05/929137505.db2.gz IUNXEGBWNJNGBF-NSHDSACASA-N 1 0 353.278 3.690 20 30 FHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000134774735 929235237 /nfs/dbraw/zinc/23/52/37/929235237.db2.gz JCIVIOYXXPADTB-UHFFFAOYSA-N 1 0 363.461 3.950 20 30 FHEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180138042 929392574 /nfs/dbraw/zinc/39/25/74/929392574.db2.gz GTZUCILDMGPRLX-MRXNPFEDSA-N 1 0 360.461 3.727 20 30 FHEDRO C=CCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OCC ZINC001209206904 929502213 /nfs/dbraw/zinc/50/22/13/929502213.db2.gz COFGYPBLUDBGBH-GOSISDBHSA-N 1 0 361.482 3.913 20 30 FHEDRO CC[C@@H](CC#N)[NH2+]CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 ZINC000705615448 929615252 /nfs/dbraw/zinc/61/52/52/929615252.db2.gz GKYRRRKKSMDWIU-QFIPXVFZSA-N 1 0 363.505 3.740 20 30 FHEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cn2)cc1OC ZINC000583330465 937352500 /nfs/dbraw/zinc/35/25/00/937352500.db2.gz ZZSTZBVBFPIWCO-HXUWFJFHSA-N 1 0 365.477 3.958 20 30 FHEDRO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H]1CCCCc3cc(C#N)ccc31)CCC2 ZINC000578938168 929741481 /nfs/dbraw/zinc/74/14/81/929741481.db2.gz OGIPODZNIAIBRB-RTWAWAEBSA-N 1 0 364.493 3.836 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2)cc1 ZINC000187304264 929766129 /nfs/dbraw/zinc/76/61/29/929766129.db2.gz KDJAOPXGSXMLFL-SFHVURJKSA-N 1 0 365.502 3.605 20 30 FHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187313471 929771532 /nfs/dbraw/zinc/77/15/32/929771532.db2.gz DJRFEQNZZVEUQA-UHFFFAOYSA-N 1 0 361.489 3.748 20 30 FHEDRO CC(=NNC(=S)Nc1ccccc1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000748130724 929935012 /nfs/dbraw/zinc/93/50/12/929935012.db2.gz CRETXSWYGGKUNT-UHFFFAOYSA-N 1 0 370.522 3.646 20 30 FHEDRO CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748130586 929937733 /nfs/dbraw/zinc/93/77/33/929937733.db2.gz AUKPLSDZDDNDEW-UHFFFAOYSA-N 1 0 366.387 3.877 20 30 FHEDRO C[C@H](O)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC001167333758 929959262 /nfs/dbraw/zinc/95/92/62/929959262.db2.gz ZLEHLAQXNFBKIQ-HNNXBMFYSA-N 1 0 355.400 3.952 20 30 FHEDRO CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000748133856 930010029 /nfs/dbraw/zinc/01/00/29/930010029.db2.gz SAIBIAFNXVLGLD-UHFFFAOYSA-N 1 0 356.426 3.680 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000123487489 930021672 /nfs/dbraw/zinc/02/16/72/930021672.db2.gz YUJVWBCWXDLMLI-UHFFFAOYSA-N 1 0 365.315 3.836 20 30 FHEDRO N#Cc1ccnc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000312636101 930031498 /nfs/dbraw/zinc/03/14/98/930031498.db2.gz HYAXJVPGRADVQR-QGZVFWFLSA-N 1 0 365.437 3.576 20 30 FHEDRO C[C@H]([NH2+]Cc1cnc2ccc(Br)cn12)c1cccc(C#N)c1 ZINC000610344936 930045645 /nfs/dbraw/zinc/04/56/45/930045645.db2.gz NOOTXQSHBPTYGZ-LBPRGKRZSA-N 1 0 355.239 3.819 20 30 FHEDRO C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(C#N)c1 ZINC000610349480 930072447 /nfs/dbraw/zinc/07/24/47/930072447.db2.gz TVQXVMZMEMYUQP-INIZCTEOSA-N 1 0 354.498 3.573 20 30 FHEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)c1 ZINC000118867305 930178620 /nfs/dbraw/zinc/17/86/20/930178620.db2.gz WHJWPUXKUYYNDW-OAQYLSRUSA-N 1 0 362.477 3.790 20 30 FHEDRO N#Cc1csc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000177705661 930228781 /nfs/dbraw/zinc/22/87/81/930228781.db2.gz MNWISWPIMLKXKU-UHFFFAOYSA-N 1 0 361.776 3.856 20 30 FHEDRO C=CCn1c(Cc2ccccc2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000580260715 930419542 /nfs/dbraw/zinc/41/95/42/930419542.db2.gz APSYPMJZOYZAEX-UHFFFAOYSA-N 1 0 367.541 3.674 20 30 FHEDRO C[C@H]1C[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000379681129 930530416 /nfs/dbraw/zinc/53/04/16/930530416.db2.gz PFPDYNSWICXLEA-HNAYVOBHSA-N 1 0 350.422 3.931 20 30 FHEDRO Cc1cc[n+](C(C(=O)c2nccs2)C(=S)NC2CCCCC2)cc1 ZINC000278244145 937420482 /nfs/dbraw/zinc/42/04/82/937420482.db2.gz LWHQYHYJXMVNDD-UHFFFAOYSA-O 1 0 360.528 3.600 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C)C(C)C ZINC000471600019 930904443 /nfs/dbraw/zinc/90/44/43/930904443.db2.gz YTWVDSGMYODVHE-ARFHVFGLSA-N 1 0 361.452 3.667 20 30 FHEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000728302590 930947965 /nfs/dbraw/zinc/94/79/65/930947965.db2.gz VQBSBTDBIIQHMX-MRXNPFEDSA-N 1 0 363.461 3.739 20 30 FHEDRO COc1ccc(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000160592849 931013910 /nfs/dbraw/zinc/01/39/10/931013910.db2.gz RZPFVIKVVYDCRE-UHFFFAOYSA-N 1 0 353.344 3.563 20 30 FHEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CCCC2(C1)CCCCCC2 ZINC000261659127 931129530 /nfs/dbraw/zinc/12/95/30/931129530.db2.gz AVEWJWZJIAPBBI-UHFFFAOYSA-N 1 0 353.461 3.790 20 30 FHEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@H]1C ZINC001104320817 931281973 /nfs/dbraw/zinc/28/19/73/931281973.db2.gz GGJXDSBTRBWTDO-BFYDXBDKSA-N 1 0 371.481 3.576 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](CCC)CC1 ZINC000074710405 931360172 /nfs/dbraw/zinc/36/01/72/931360172.db2.gz XQINJFNYPSIMOJ-UHFFFAOYSA-N 1 0 355.935 3.974 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000042346499 931535431 /nfs/dbraw/zinc/53/54/31/931535431.db2.gz RCYHSRMSFHBTKW-IBGZPJMESA-N 1 0 370.522 3.844 20 30 FHEDRO N#CCCCOc1cccc(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000610478151 931562331 /nfs/dbraw/zinc/56/23/31/931562331.db2.gz NPLWPSHXCXJCAD-UHFFFAOYSA-N 1 0 362.393 3.594 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000581117394 931578742 /nfs/dbraw/zinc/57/87/42/931578742.db2.gz OUJIHTIQPVNGOR-YXPYIKCWSA-N 1 0 357.523 3.994 20 30 FHEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000156825335 931608052 /nfs/dbraw/zinc/60/80/52/931608052.db2.gz RUEMAQYCUJQIFJ-SFHVURJKSA-N 1 0 365.481 3.583 20 30 FHEDRO C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000581208370 931676374 /nfs/dbraw/zinc/67/63/74/931676374.db2.gz ODWSZNLQMXWUJE-YOEHRIQHSA-N 1 0 365.437 3.514 20 30 FHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000581218862 931694257 /nfs/dbraw/zinc/69/42/57/931694257.db2.gz BIBCPYQMOPRAKM-UXHICEINSA-N 1 0 365.525 3.679 20 30 FHEDRO C=C(CC[NH+](C)C)C(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1 ZINC001167454951 931855441 /nfs/dbraw/zinc/85/54/41/931855441.db2.gz FWRKFACOEKDTEO-UHFFFAOYSA-N 1 0 352.360 3.542 20 30 FHEDRO C=CC[S@](=O)(=NC(=O)C[C@H](n1ccnc1)C(F)(F)F)c1ccccc1 ZINC000891382568 931982347 /nfs/dbraw/zinc/98/23/47/931982347.db2.gz PDMHKEKEYWBZPY-HWRSSNJWSA-N 1 0 371.384 3.616 20 30 FHEDRO C[C@@](CO)([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC001167461289 932052985 /nfs/dbraw/zinc/05/29/85/932052985.db2.gz DTNQUPBCWZCKLE-SFHVURJKSA-N 1 0 355.400 3.858 20 30 FHEDRO O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328795414 932120352 /nfs/dbraw/zinc/12/03/52/932120352.db2.gz TZLKCGAKIDGGFB-KRWDZBQOSA-N 1 0 358.486 3.509 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc(C#N)cs2)C1 ZINC000084181306 932207624 /nfs/dbraw/zinc/20/76/24/932207624.db2.gz HKBPXJQZHXAQGL-OAHLLOKOSA-N 1 0 353.491 3.782 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccn(C4CCCC4)n3)CC2)cc1 ZINC000477165580 932362410 /nfs/dbraw/zinc/36/24/10/932362410.db2.gz DYNHGXNWBMHXAK-UHFFFAOYSA-N 1 0 363.509 3.578 20 30 FHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)/C=C\c3ccccc3C#N)cc21 ZINC000255354527 932447556 /nfs/dbraw/zinc/44/75/56/932447556.db2.gz IBCKWTNVNUMZJJ-NTMALXAHSA-N 1 0 358.445 3.726 20 30 FHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000477308051 932463678 /nfs/dbraw/zinc/46/36/78/932463678.db2.gz MUIADFGUXUZLCR-UHFFFAOYSA-N 1 0 366.465 3.906 20 30 FHEDRO N#Cc1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000581698836 932519844 /nfs/dbraw/zinc/51/98/44/932519844.db2.gz YWAUJPIJQNNQCW-MRXNPFEDSA-N 1 0 351.416 3.885 20 30 FHEDRO CC(C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000051180993 932539296 /nfs/dbraw/zinc/53/92/96/932539296.db2.gz XVAPVUNTUUSQSP-UHFFFAOYSA-N 1 0 354.523 3.846 20 30 FHEDRO O=C(NCc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1)C1CCCC1 ZINC000328815460 932619198 /nfs/dbraw/zinc/61/91/98/932619198.db2.gz CKHXZGQACMPEFA-FQEVSTJZSA-N 1 0 369.509 3.644 20 30 FHEDRO C=CCc1cc(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc(OC)c1O ZINC000510466923 932709348 /nfs/dbraw/zinc/70/93/48/932709348.db2.gz DGUBWVSWIKMFPV-FUHIMQAGSA-N 1 0 358.526 3.967 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)CC1 ZINC000328834193 932822356 /nfs/dbraw/zinc/82/23/56/932822356.db2.gz LUDSNYPXULIJFN-MRXNPFEDSA-N 1 0 363.527 3.574 20 30 FHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178196852 932864171 /nfs/dbraw/zinc/86/41/71/932864171.db2.gz QKSDZCQRCIYUEP-SJLPKXTDSA-N 1 0 372.900 3.928 20 30 FHEDRO COc1ccc2[nH]c(=NC(=O)N3CCC([NH+]4CCCCC4)CC3)sc2c1 ZINC000328855121 933007693 /nfs/dbraw/zinc/00/76/93/933007693.db2.gz WVEAAVLFDQLVHT-UHFFFAOYSA-N 1 0 374.510 3.801 20 30 FHEDRO N#CCC[C@@H](NC(=O)N[C@H]1CCCCC12CC[NH2+]CC2)c1ccccc1 ZINC000891703988 933037092 /nfs/dbraw/zinc/03/70/92/933037092.db2.gz MWLUGJOQIVKMAL-MOPGFXCFSA-N 1 0 354.498 3.643 20 30 FHEDRO COc1ccc([C@H](C)[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000581924094 933040762 /nfs/dbraw/zinc/04/07/62/933040762.db2.gz YINWEINNBREWOA-KKSFZXQISA-N 1 0 363.461 3.755 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NCc3ccccc3C[NH+]3CCCCC3)CC2)cc1 ZINC000548356337 933081139 /nfs/dbraw/zinc/08/11/39/933081139.db2.gz FPFOVMYJWSOMKI-UHFFFAOYSA-N 1 0 373.500 3.892 20 30 FHEDRO CCC[NH+]1CCC(N(C)Cc2ccc(Br)cc2C#N)CC1 ZINC000581961839 933124407 /nfs/dbraw/zinc/12/44/07/933124407.db2.gz QPVAMRIUJDGSLO-UHFFFAOYSA-N 1 0 350.304 3.627 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(=O)NC3CCCCC3)CC1)CC2 ZINC000581973647 933156820 /nfs/dbraw/zinc/15/68/20/933156820.db2.gz XJGFODGCQHSRDQ-NRFANRHFSA-N 1 0 366.509 3.642 20 30 FHEDRO O=C(CNC(=O)C1CCCCC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000328928874 933182867 /nfs/dbraw/zinc/18/28/67/933182867.db2.gz YEZAKOMXTCILSV-UHFFFAOYSA-N 1 0 363.546 3.638 20 30 FHEDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1(CC#N)CC1 ZINC000430758038 933197615 /nfs/dbraw/zinc/19/76/15/933197615.db2.gz YLZVNWPNWKWBEH-LBPRGKRZSA-N 1 0 355.360 3.586 20 30 FHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+](C)C ZINC000510552509 933217351 /nfs/dbraw/zinc/21/73/51/933217351.db2.gz VTUGMWONUFMKRE-UWJYYQICSA-N 1 0 361.489 3.971 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000510569119 933228318 /nfs/dbraw/zinc/22/83/18/933228318.db2.gz IBXNKYJBOVSGSV-QFIPXVFZSA-N 1 0 361.489 3.662 20 30 FHEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000510577919 933242414 /nfs/dbraw/zinc/24/24/14/933242414.db2.gz IIAKNDWSWKWCEI-JOCHJYFZSA-N 1 0 361.489 3.662 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000430820080 933260407 /nfs/dbraw/zinc/26/04/07/933260407.db2.gz HRAZJRWFNGPQLQ-UXHICEINSA-N 1 0 373.566 3.808 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430927924 933415080 /nfs/dbraw/zinc/41/50/80/933415080.db2.gz SAJLZPWPEGWVPH-PZJWPPBQSA-N 1 0 358.526 3.523 20 30 FHEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)ccc1OC ZINC000091952887 933736774 /nfs/dbraw/zinc/73/67/74/933736774.db2.gz NLFNTNNRPTWALY-UHFFFAOYSA-N 1 0 374.525 3.729 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000563007275 933802045 /nfs/dbraw/zinc/80/20/45/933802045.db2.gz HSCOBHRJNYSZKB-BXWFABGCSA-N 1 0 367.917 3.692 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCC#Cc1cccc(F)c1)c1ccsc1 ZINC000510854389 933859204 /nfs/dbraw/zinc/85/92/04/933859204.db2.gz QAOZYGVHIDUPGV-IBGZPJMESA-N 1 0 373.497 3.621 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610707810 933862944 /nfs/dbraw/zinc/86/29/44/933862944.db2.gz XLNNOLNKTQEXOE-LLGFUMIMSA-N 1 0 362.477 3.581 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000610714391 933891123 /nfs/dbraw/zinc/89/11/23/933891123.db2.gz MQKONVMEDUZDEO-XLIONFOSSA-N 1 0 372.472 3.558 20 30 FHEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000477872208 933903015 /nfs/dbraw/zinc/90/30/15/933903015.db2.gz GAWMZHVMUYKZPS-IRXDYDNUSA-N 1 0 350.409 3.939 20 30 FHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000610718307 933936329 /nfs/dbraw/zinc/93/63/29/933936329.db2.gz LSVYCAJMMYWQJK-ZDUSSCGKSA-N 1 0 354.376 3.573 20 30 FHEDRO CC(C)c1noc(-c2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)n1 ZINC000329002954 934104273 /nfs/dbraw/zinc/10/42/73/934104273.db2.gz LQSXNYYXNAAMMD-SJORKVTESA-N 1 0 369.469 3.813 20 30 FHEDRO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000092615423 934113577 /nfs/dbraw/zinc/11/35/77/934113577.db2.gz GLQOHCSIHFCGSW-HNNXBMFYSA-N 1 0 373.526 3.807 20 30 FHEDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000187665062 934133195 /nfs/dbraw/zinc/13/31/95/934133195.db2.gz KNNUERRVBXZNMI-HNNXBMFYSA-N 1 0 353.491 3.884 20 30 FHEDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000610771313 934146897 /nfs/dbraw/zinc/14/68/97/934146897.db2.gz PTLPJFITGUAVCJ-OFNKIYASSA-N 1 0 364.489 3.946 20 30 FHEDRO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000510944392 934207375 /nfs/dbraw/zinc/20/73/75/934207375.db2.gz JVYPNLRDUWBTBU-FCHUYYIVSA-N 1 0 361.489 3.833 20 30 FHEDRO COc1cccc([C@@H](C/N=C/c2cccc(OC)c2O)[NH+]2CCCC2)c1 ZINC000022768846 934364468 /nfs/dbraw/zinc/36/44/68/934364468.db2.gz NNGYQPYHKBKHQU-VZMFNRANSA-N 1 0 354.450 3.665 20 30 FHEDRO Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)ccc1OCC[NH+](C)C ZINC000458215977 934386875 /nfs/dbraw/zinc/38/68/75/934386875.db2.gz PWWMHIHXNGDUSM-INIZCTEOSA-N 1 0 351.450 3.549 20 30 FHEDRO Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)ccc1OCC[NH+](C)C ZINC000458224676 934396203 /nfs/dbraw/zinc/39/62/03/934396203.db2.gz XPRAFAXQKFOTKG-UHFFFAOYSA-N 1 0 357.841 3.713 20 30 FHEDRO Cc1cc(C(=O)NC2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c(C)o1 ZINC000187674138 934426206 /nfs/dbraw/zinc/42/62/06/934426206.db2.gz XKVZPRUMBWXPIS-OAHLLOKOSA-N 1 0 351.450 3.724 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000610813580 934473075 /nfs/dbraw/zinc/47/30/75/934473075.db2.gz LGMUZXRFIDBGNO-OLZOCXBDSA-N 1 0 356.297 3.727 20 30 FHEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000535820764 934507472 /nfs/dbraw/zinc/50/74/72/934507472.db2.gz PKYAWHCXJNNOMQ-GOSISDBHSA-N 1 0 369.472 3.726 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1sccc1C#N ZINC000247648419 934514279 /nfs/dbraw/zinc/51/42/79/934514279.db2.gz WHPYFMLDTMCTMA-HWWDLCQESA-N 1 0 353.491 3.506 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000610856094 934520621 /nfs/dbraw/zinc/52/06/21/934520621.db2.gz HOCCQHDDNDOWNT-RYUDHWBXSA-N 1 0 373.359 3.558 20 30 FHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458254737 934531383 /nfs/dbraw/zinc/53/13/83/934531383.db2.gz AGVJOKWCMBMKRS-UHFFFAOYSA-N 1 0 354.450 3.882 20 30 FHEDRO Cc1cc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)ccc1C[NH+](C)C ZINC000458256981 934535034 /nfs/dbraw/zinc/53/50/34/934535034.db2.gz CIGKMSVZMNOEBD-UHFFFAOYSA-N 1 0 351.425 3.738 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)ccc1OC ZINC000142861135 934567720 /nfs/dbraw/zinc/56/77/20/934567720.db2.gz HROCJIBRWZYEDX-UHFFFAOYSA-N 1 0 368.477 3.642 20 30 FHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000610896617 934569956 /nfs/dbraw/zinc/56/99/56/934569956.db2.gz OVEASAPLFFWKDR-UHFFFAOYSA-N 1 0 354.841 3.770 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1F ZINC000458274394 934576271 /nfs/dbraw/zinc/57/62/71/934576271.db2.gz BFEMBHQZOWAKNG-UHFFFAOYSA-N 1 0 367.424 3.574 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000610899174 934593196 /nfs/dbraw/zinc/59/31/96/934593196.db2.gz CYLPSVZRPUJGMB-UHFFFAOYSA-N 1 0 350.418 3.877 20 30 FHEDRO C=CCOc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458321287 934687798 /nfs/dbraw/zinc/68/77/98/934687798.db2.gz PXXXOCMSHMRYJY-UHFFFAOYSA-N 1 0 358.413 3.583 20 30 FHEDRO Cn1nc(CCC[N@H+](C)Cc2ccnc(C#N)c2)cc1-c1ccc(F)cc1 ZINC000610992188 934734762 /nfs/dbraw/zinc/73/47/62/934734762.db2.gz JTVUOFFUBJLTTK-UHFFFAOYSA-N 1 0 363.440 3.557 20 30 FHEDRO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000610993298 934737937 /nfs/dbraw/zinc/73/79/37/934737937.db2.gz KLFMAPVFTZVRCM-MRXNPFEDSA-N 1 0 351.450 3.806 20 30 FHEDRO CCOc1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2OC)cc1OC ZINC000538167384 934765401 /nfs/dbraw/zinc/76/54/01/934765401.db2.gz LRSWPTJKGAVSLL-OAHLLOKOSA-N 1 0 370.449 3.704 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181696127 934800147 /nfs/dbraw/zinc/80/01/47/934800147.db2.gz WFJFUFBROVTCOO-UHFFFAOYSA-N 1 0 361.445 3.731 20 30 FHEDRO CSC[C@H]1CCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000135457194 934804462 /nfs/dbraw/zinc/80/44/62/934804462.db2.gz UIZBPYFFPAEOOU-QGZVFWFLSA-N 1 0 374.554 3.858 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)ccc1OC ZINC000080343416 934861515 /nfs/dbraw/zinc/86/15/15/934861515.db2.gz HTCYJMDQSFWDEX-RUZDIDTESA-N 1 0 359.491 3.677 20 30 FHEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)C12CCCCC2 ZINC000538736081 934899334 /nfs/dbraw/zinc/89/93/34/934899334.db2.gz YBWJABQSGNFLHC-OALUTQOASA-N 1 0 352.482 3.766 20 30 FHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cncs1 ZINC000934196770 934980110 /nfs/dbraw/zinc/98/01/10/934980110.db2.gz DLNUSLGNGBCVJV-VXGBXAGGSA-N 1 0 374.535 3.880 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1sccc1C#N ZINC000511769628 945070852 /nfs/dbraw/zinc/07/08/52/945070852.db2.gz JOKDFMWEVDXLNW-KRWDZBQOSA-N 1 0 353.491 3.650 20 30 FHEDRO COc1cc(C#N)cc(Br)c1OC1CCC([NH+](C)C)CC1 ZINC001226172498 945071876 /nfs/dbraw/zinc/07/18/76/945071876.db2.gz PXVWHYYWOGEUQS-UHFFFAOYSA-N 1 0 353.260 3.581 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2cccs2)c(OC)c1 ZINC000053429803 935064625 /nfs/dbraw/zinc/06/46/25/935064625.db2.gz MZEUDGOGPNTZEF-RDJZCZTQSA-N 1 0 361.507 3.918 20 30 FHEDRO CC(C)(C#N)c1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000375656833 935071965 /nfs/dbraw/zinc/07/19/65/935071965.db2.gz SKDVSYHIOAOSMA-IBGZPJMESA-N 1 0 361.489 3.740 20 30 FHEDRO C=CCCn1cc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nn1 ZINC000657313149 935116633 /nfs/dbraw/zinc/11/66/33/935116633.db2.gz GJHAHQGAXMMQJE-OALUTQOASA-N 1 0 367.541 3.622 20 30 FHEDRO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1-c1ccccc1 ZINC000507276563 945090287 /nfs/dbraw/zinc/09/02/87/945090287.db2.gz XELHPDWNYIPGJJ-UHFFFAOYSA-N 1 0 369.468 3.973 20 30 FHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c2ccccc2n1 ZINC000072087282 935294033 /nfs/dbraw/zinc/29/40/33/935294033.db2.gz SVPYSWMSYSMVEN-UHFFFAOYSA-N 1 0 372.472 3.619 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000660512260 945092370 /nfs/dbraw/zinc/09/23/70/945092370.db2.gz STBYFFGIZGSHBQ-HDICACEKSA-N 1 0 359.539 3.853 20 30 FHEDRO Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000582188144 935386819 /nfs/dbraw/zinc/38/68/19/935386819.db2.gz MXNKXJWHHQHGBN-SFHVURJKSA-N 1 0 358.445 3.659 20 30 FHEDRO CN(CCC#N)C(=O)CC[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000511092095 935403889 /nfs/dbraw/zinc/40/38/89/935403889.db2.gz RRDULTJTLYUOMS-UHFFFAOYSA-N 1 0 367.415 3.680 20 30 FHEDRO C[C@@H]1SCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H]1C ZINC000118416912 935423927 /nfs/dbraw/zinc/42/39/27/935423927.db2.gz QFMQEECWXNPRPK-STQMWFEESA-N 1 0 363.552 3.653 20 30 FHEDRO C[C@H]1SCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H]1C ZINC000118416919 935424105 /nfs/dbraw/zinc/42/41/05/935424105.db2.gz QFMQEECWXNPRPK-QWHCGFSZSA-N 1 0 363.552 3.653 20 30 FHEDRO CC[N@@H+]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000091174445 935452443 /nfs/dbraw/zinc/45/24/43/935452443.db2.gz FYTUZNKQKANNQQ-UHFFFAOYSA-N 1 0 364.449 3.910 20 30 FHEDRO COc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(O)c1OC ZINC000892246082 935505805 /nfs/dbraw/zinc/50/58/05/935505805.db2.gz KWMWKYWAAMKMJC-UHFFFAOYSA-N 1 0 350.418 3.570 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000178562997 935506231 /nfs/dbraw/zinc/50/62/31/935506231.db2.gz ILLSGEVAFCQMCW-SFHVURJKSA-N 1 0 352.438 3.808 20 30 FHEDRO C[C@H]([NH3+])CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414899321 945106850 /nfs/dbraw/zinc/10/68/50/945106850.db2.gz FJTAKWDRORWKSI-SUMWQHHRSA-N 1 0 356.857 3.854 20 30 FHEDRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C ZINC000582391006 935617505 /nfs/dbraw/zinc/61/75/05/935617505.db2.gz JORFTUYEPSYBGM-IRXDYDNUSA-N 1 0 363.889 3.676 20 30 FHEDRO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000478542174 935648982 /nfs/dbraw/zinc/64/89/82/935648982.db2.gz NGFHXYXBYBDQPY-KRWDZBQOSA-N 1 0 356.495 3.711 20 30 FHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187757373 935686348 /nfs/dbraw/zinc/68/63/48/935686348.db2.gz DCFQBZKJAZBDJY-KUHUBIRLSA-N 1 0 351.368 3.751 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CCCc2ccccc2)CC1 ZINC000161270702 935691443 /nfs/dbraw/zinc/69/14/43/935691443.db2.gz VOUATUKEHDJUKR-QFIPXVFZSA-N 1 0 352.522 3.736 20 30 FHEDRO Cc1cnc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)s1 ZINC000277605270 935715511 /nfs/dbraw/zinc/71/55/11/935715511.db2.gz XUPZHSXWFFWELX-UHFFFAOYSA-N 1 0 354.479 3.531 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000582472819 935758479 /nfs/dbraw/zinc/75/84/79/935758479.db2.gz CROKGJJEIILVIJ-ZINXYGQCSA-N 1 0 359.473 3.613 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582474633 935761550 /nfs/dbraw/zinc/76/15/50/935761550.db2.gz QORQEHVFFGWBRQ-ZACQAIPSSA-N 1 0 372.538 3.792 20 30 FHEDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000562068617 935774926 /nfs/dbraw/zinc/77/49/26/935774926.db2.gz XJHQDAQNOBIJTA-ZIAGYGMSSA-N 1 0 369.431 3.554 20 30 FHEDRO N#CCC[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000158972099 935775338 /nfs/dbraw/zinc/77/53/38/935775338.db2.gz SZMVJHIDZWBSSZ-OALUTQOASA-N 1 0 366.465 3.761 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582534264 935806752 /nfs/dbraw/zinc/80/67/52/935806752.db2.gz YMNLKWSQDBEVOI-KXBFYZLASA-N 1 0 358.511 3.546 20 30 FHEDRO CSC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000611621905 935831514 /nfs/dbraw/zinc/83/15/14/935831514.db2.gz WTNJWZIHXUWLMU-MRXNPFEDSA-N 1 0 357.445 3.687 20 30 FHEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000479382501 935832811 /nfs/dbraw/zinc/83/28/11/935832811.db2.gz BIOORLWWVLUTHT-NRFANRHFSA-N 1 0 358.445 3.790 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCC(C)(C)C#N)c1ccccc1Cl ZINC000611623019 935834870 /nfs/dbraw/zinc/83/48/70/935834870.db2.gz WCWNTAFZZSOGJC-INIZCTEOSA-N 1 0 350.894 3.572 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CC1 ZINC000479558769 935857473 /nfs/dbraw/zinc/85/74/73/935857473.db2.gz YADBMRZHJSBYKZ-IBGZPJMESA-N 1 0 365.502 3.779 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000582601391 935863162 /nfs/dbraw/zinc/86/31/62/935863162.db2.gz IYEAMCOURCYFDH-QZNHQXDQSA-N 1 0 364.489 3.666 20 30 FHEDRO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000472237709 935916637 /nfs/dbraw/zinc/91/66/37/935916637.db2.gz GRQOPZZTWYHDDR-IFMALSPDSA-N 1 0 361.489 3.690 20 30 FHEDRO CC[NH+](CC)[C@H](C(=O)NCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000611688186 935921156 /nfs/dbraw/zinc/92/11/56/935921156.db2.gz MCYPPTUSFSMPNM-HNNXBMFYSA-N 1 0 355.404 3.754 20 30 FHEDRO Cc1nc2c(n1CC(=O)N(CCC#N)c1cccc(C)c1C)CCCC2 ZINC000563440799 935959184 /nfs/dbraw/zinc/95/91/84/935959184.db2.gz SIHRDNBONRMCNI-UHFFFAOYSA-N 1 0 350.466 3.634 20 30 FHEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000582714393 935975196 /nfs/dbraw/zinc/97/51/96/935975196.db2.gz KKSCTTIAUIUDOR-KBXCAEBGSA-N 1 0 366.490 3.829 20 30 FHEDRO COc1ccc([C@@H]2CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc1 ZINC000075678525 936015077 /nfs/dbraw/zinc/01/50/77/936015077.db2.gz IXFYEDSMMVXNCQ-GOSISDBHSA-N 1 0 360.417 3.606 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000516685067 945142642 /nfs/dbraw/zinc/14/26/42/945142642.db2.gz PGRVEAJYQGXKAC-MSOLQXFVSA-N 1 0 356.514 3.600 20 30 FHEDRO CN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000582753690 936078819 /nfs/dbraw/zinc/07/88/19/936078819.db2.gz CUHHFGGAISATHI-LJQANCHMSA-N 1 0 366.440 3.826 20 30 FHEDRO C=CCOc1c(Cl)cc(CN2CCC[C@H](n3ccnc3)C2)cc1OC ZINC000628162529 936149032 /nfs/dbraw/zinc/14/90/32/936149032.db2.gz UIXTXPJEATTZMG-INIZCTEOSA-N 1 0 361.873 3.947 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC1(O)CCCCCC1 ZINC000426201105 945147654 /nfs/dbraw/zinc/14/76/54/945147654.db2.gz LZVCCZIEZQJCEF-UHFFFAOYSA-N 1 0 362.539 3.920 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC1(O)CCCCCC1 ZINC000426202547 945148835 /nfs/dbraw/zinc/14/88/35/945148835.db2.gz VKRIBGTYGVRULW-QGZVFWFLSA-N 1 0 364.555 3.668 20 30 FHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438848398 945152424 /nfs/dbraw/zinc/15/24/24/945152424.db2.gz HRPAMCRGTSZXIO-WOJBJXKFSA-N 1 0 356.514 3.985 20 30 FHEDRO C#CCOc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 ZINC000237837006 936291219 /nfs/dbraw/zinc/29/12/19/936291219.db2.gz LRYQPIJKFPGPNA-QGZVFWFLSA-N 1 0 356.416 3.593 20 30 FHEDRO C=CCSCCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000582937427 936304084 /nfs/dbraw/zinc/30/40/84/936304084.db2.gz QWKJYBSPVYYENM-IBGZPJMESA-N 1 0 361.555 3.507 20 30 FHEDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000583423153 938249266 /nfs/dbraw/zinc/24/92/66/938249266.db2.gz CJCUZYRKMNKCOY-RLLQIKCJSA-N 1 0 350.466 3.569 20 30 FHEDRO C=CCc1cc(C[NH2+]Cc2cnc3ccc(C)cn23)cc(OC)c1OC ZINC000156548260 938261644 /nfs/dbraw/zinc/26/16/44/938261644.db2.gz SJXNAGWSUUIYIY-UHFFFAOYSA-N 1 0 351.450 3.678 20 30 FHEDRO Cc1ccc[n+](C(C(=O)c2nccs2)C(=S)N[C@H]2CCCC[C@@H]2C)c1 ZINC000278264760 938263020 /nfs/dbraw/zinc/26/30/20/938263020.db2.gz OAZORYBBFHJBPF-GJZGRUSLSA-O 1 0 374.555 3.846 20 30 FHEDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000329190048 938284703 /nfs/dbraw/zinc/28/47/03/938284703.db2.gz RSXMDYCOFSJAQZ-MRXNPFEDSA-N 1 0 358.482 3.709 20 30 FHEDRO N#C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1c(Cl)cccc1Cl ZINC000278290612 938286214 /nfs/dbraw/zinc/28/62/14/938286214.db2.gz CPDCJKBLKXBYOP-OAHLLOKOSA-N 1 0 352.265 3.549 20 30 FHEDRO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2F)n1 ZINC000329228210 938295281 /nfs/dbraw/zinc/29/52/81/938295281.db2.gz BPTOUKUHJXCKOA-IEBWSBKVSA-N 1 0 356.445 3.560 20 30 FHEDRO C=CCOCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000583570335 938308469 /nfs/dbraw/zinc/30/84/69/938308469.db2.gz NGOMAQJPWZLPKU-HXUWFJFHSA-N 1 0 359.491 3.915 20 30 FHEDRO C=CCC(CC=C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000151071080 938325361 /nfs/dbraw/zinc/32/53/61/938325361.db2.gz REGDCRSGQTVMSG-UHFFFAOYSA-N 1 0 357.498 3.544 20 30 FHEDRO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000246049607 938333092 /nfs/dbraw/zinc/33/30/92/938333092.db2.gz XXXIZNYIRFWSCW-PMACEKPBSA-N 1 0 357.498 3.581 20 30 FHEDRO N#CCc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000583640146 938335260 /nfs/dbraw/zinc/33/52/60/938335260.db2.gz CDBPJCXAVLBCCW-KRWDZBQOSA-N 1 0 368.868 3.652 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(C#N)c1 ZINC000052485653 938339281 /nfs/dbraw/zinc/33/92/81/938339281.db2.gz ONQBGZWAAKVEFT-UHFFFAOYSA-N 1 0 367.522 3.656 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@@H](C)C1 ZINC000246214813 938346233 /nfs/dbraw/zinc/34/62/33/938346233.db2.gz ONEPGEXVHGJBPR-YJBOKZPZSA-N 1 0 358.486 3.539 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000074653573 938360810 /nfs/dbraw/zinc/36/08/10/938360810.db2.gz DONOQDSZXVQHCA-LEWJYISDSA-N 1 0 368.525 3.600 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC1(O)CCCCCC1 ZINC000426206875 945170277 /nfs/dbraw/zinc/17/02/77/945170277.db2.gz RRRYDOKEJOTWGY-AWEZNQCLSA-N 1 0 363.889 3.556 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCNc2ncc(Cl)cc2Cl)cc1 ZINC000176798195 938438567 /nfs/dbraw/zinc/43/85/67/938438567.db2.gz IHXPOBZJJLMZCZ-LBPRGKRZSA-N 1 0 365.264 3.881 20 30 FHEDRO CC(C)(CCC#N)C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000583867702 938459886 /nfs/dbraw/zinc/45/98/86/938459886.db2.gz BYFGRAOPTMWNNG-UHFFFAOYSA-N 1 0 352.276 3.697 20 30 FHEDRO N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583882198 938465286 /nfs/dbraw/zinc/46/52/86/938465286.db2.gz YAFYRHRIRLJDPW-QGZVFWFLSA-N 1 0 353.853 3.867 20 30 FHEDRO C[C@@H]([NH2+]C1(CNC(=O)C2CCSCC2)CCOCC1)c1ccccc1 ZINC000329560236 938482080 /nfs/dbraw/zinc/48/20/80/938482080.db2.gz REEHLMLRJZFQEF-MRXNPFEDSA-N 1 0 362.539 3.986 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccccc1-c1ccc(Cl)cc1 ZINC000583930071 938487107 /nfs/dbraw/zinc/48/71/07/938487107.db2.gz OVOPVWJPGJUAAG-LPHOPBHVSA-N 1 0 371.912 3.864 20 30 FHEDRO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000052711682 938504341 /nfs/dbraw/zinc/50/43/41/938504341.db2.gz PTIRGKLJGRMHDY-CTNGQTDRSA-N 1 0 357.498 3.667 20 30 FHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccccc1 ZINC000179013291 938507564 /nfs/dbraw/zinc/50/75/64/938507564.db2.gz LBLGOGPVVUFAMR-IEBWSBKVSA-N 1 0 365.481 3.682 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ccccc3Cl)C1=O)CC2 ZINC000583964515 938507882 /nfs/dbraw/zinc/50/78/82/938507882.db2.gz OJUGZEHLQJOESW-MSOLQXFVSA-N 1 0 351.837 3.594 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000158583575 938535604 /nfs/dbraw/zinc/53/56/04/938535604.db2.gz OXNSXVQVYUEIHE-ROUUACIJSA-N 1 0 371.502 3.520 20 30 FHEDRO Cc1c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)sc2nccc(C)c12 ZINC000329616300 938540514 /nfs/dbraw/zinc/54/05/14/938540514.db2.gz SLUSULFPMFQOOJ-OAHLLOKOSA-N 1 0 373.522 3.719 20 30 FHEDRO COCC[N@H+](CCCc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584056181 938572982 /nfs/dbraw/zinc/57/29/82/938572982.db2.gz HMZIOVVRCQGPLN-UHFFFAOYSA-N 1 0 353.422 3.548 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@](C)(Cc1ccc(Cl)cc1)C(C)C ZINC000584126865 938611262 /nfs/dbraw/zinc/61/12/62/938611262.db2.gz AVZBEYFADUIQFL-UXHICEINSA-N 1 0 363.933 3.941 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@](C)(Cc1ccc(Cl)cc1)C(C)C ZINC000584126864 938611357 /nfs/dbraw/zinc/61/13/57/938611357.db2.gz AVZBEYFADUIQFL-PMACEKPBSA-N 1 0 363.933 3.941 20 30 FHEDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000584178535 938630128 /nfs/dbraw/zinc/63/01/28/938630128.db2.gz WEZHLUWWFNCLNT-GOSISDBHSA-N 1 0 364.367 3.799 20 30 FHEDRO CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000584261295 938663419 /nfs/dbraw/zinc/66/34/19/938663419.db2.gz VTPYUHJUVMBERD-QFIPXVFZSA-N 1 0 361.489 3.960 20 30 FHEDRO CCOc1cccc(/C=N\C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1O ZINC000588592079 938673223 /nfs/dbraw/zinc/67/32/23/938673223.db2.gz AWWNSDSUIUCOQR-SPMKTWQFSA-N 1 0 368.477 3.501 20 30 FHEDRO CCc1nsc(N2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135265967 938677897 /nfs/dbraw/zinc/67/78/97/938677897.db2.gz APRUMXBTTFCBHI-UHFFFAOYSA-N 1 0 369.538 3.614 20 30 FHEDRO C=CCOc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1Cl ZINC000426562684 945213196 /nfs/dbraw/zinc/21/31/96/945213196.db2.gz UWQMIUBQQXRSLZ-MRXNPFEDSA-N 1 0 364.917 3.590 20 30 FHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000094122053 938935105 /nfs/dbraw/zinc/93/51/05/938935105.db2.gz KGTMWCZPZNTICJ-QGZVFWFLSA-N 1 0 363.461 3.603 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CCCC#N)c2ccccc2)C[C@H]1C ZINC000458800976 938941681 /nfs/dbraw/zinc/94/16/81/938941681.db2.gz MJVCSJREIVVBFA-HOJAQTOUSA-N 1 0 356.514 3.936 20 30 FHEDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000611940159 938993945 /nfs/dbraw/zinc/99/39/45/938993945.db2.gz VSUSLWHVVYXGLP-JKSUJKDBSA-N 1 0 354.429 3.515 20 30 FHEDRO C#CCCCCCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000780514006 938996943 /nfs/dbraw/zinc/99/69/43/938996943.db2.gz RUMBQZBKPSMFJT-IBGZPJMESA-N 1 0 356.510 3.586 20 30 FHEDRO C[C@@H](CCSc1ccccc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000431619312 939009752 /nfs/dbraw/zinc/00/97/52/939009752.db2.gz IGBMXZKEDKCIQM-KRWDZBQOSA-N 1 0 352.507 3.646 20 30 FHEDRO C[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@@H+]1CCc2sccc2C1 ZINC000255620654 939011453 /nfs/dbraw/zinc/01/14/53/939011453.db2.gz ONIYJCUJPALYST-HKMXWPIPSA-N 1 0 351.475 3.868 20 30 FHEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000176976897 939022927 /nfs/dbraw/zinc/02/29/27/939022927.db2.gz BEWIRNUOAYAOCC-QGZVFWFLSA-N 1 0 357.479 3.975 20 30 FHEDRO N#Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612037566 939023452 /nfs/dbraw/zinc/02/34/52/939023452.db2.gz GPHZEEXFRZHYNO-BAGYTPMASA-N 1 0 374.488 3.980 20 30 FHEDRO Cc1ccccc1C[N@@H+]1CCCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000612070372 939037168 /nfs/dbraw/zinc/03/71/68/939037168.db2.gz AUVDQQXVAMPGKO-UHFFFAOYSA-N 1 0 354.885 3.936 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(F)c2C#N)[C@@H]1c1cccs1 ZINC000188236445 939072604 /nfs/dbraw/zinc/07/26/04/939072604.db2.gz IGWYKNUVQHBTTP-FZKQIMNGSA-N 1 0 357.454 3.572 20 30 FHEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)cc1 ZINC000796682782 939092171 /nfs/dbraw/zinc/09/21/71/939092171.db2.gz KWXRTSFCLIHMII-HXUWFJFHSA-N 1 0 355.482 3.776 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000612124825 939102683 /nfs/dbraw/zinc/10/26/83/939102683.db2.gz IWIJFBQHBYXUPO-QFIPXVFZSA-N 1 0 368.525 3.898 20 30 FHEDRO C=CCCC1(CNC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CCCC1 ZINC000658297674 939102775 /nfs/dbraw/zinc/10/27/75/939102775.db2.gz SPPCMSPYJVWDGX-UHFFFAOYSA-N 1 0 371.525 3.638 20 30 FHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000612133329 939126061 /nfs/dbraw/zinc/12/60/61/939126061.db2.gz WVUSGVWEEFZOLE-QXAKKESOSA-N 1 0 365.502 3.650 20 30 FHEDRO Cc1cc2ncc([C@@H](C)[NH2+]CCSCc3ccccc3C#N)c(C)n2n1 ZINC000179410971 939147576 /nfs/dbraw/zinc/14/75/76/939147576.db2.gz OYKCQVLDCMUQNK-OAHLLOKOSA-N 1 0 365.506 3.802 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179479582 939171175 /nfs/dbraw/zinc/17/11/75/939171175.db2.gz VJQZADPUBOVANO-YLJYHZDGSA-N 1 0 364.449 3.524 20 30 FHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001125784663 939180817 /nfs/dbraw/zinc/18/08/17/939180817.db2.gz XAPMYCHQTHZLPT-IBGZPJMESA-N 1 0 363.505 3.636 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000548883584 939188710 /nfs/dbraw/zinc/18/87/10/939188710.db2.gz QMAVASWPWUCGED-WOJBJXKFSA-N 1 0 357.498 3.570 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000181664609 945237222 /nfs/dbraw/zinc/23/72/22/945237222.db2.gz HEUKXLLHLIEITO-SFHVURJKSA-N 1 0 357.429 3.703 20 30 FHEDRO C=CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255541 945257051 /nfs/dbraw/zinc/25/70/51/945257051.db2.gz OYCKMEMNGRNVLI-BBTUJRGHSA-N 1 0 369.513 3.807 20 30 FHEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(F)c1 ZINC000507475333 945259720 /nfs/dbraw/zinc/25/97/20/945259720.db2.gz GRSVFSGUAJOLIU-XOBRGWDASA-N 1 0 367.424 3.552 20 30 FHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425791490 945259917 /nfs/dbraw/zinc/25/99/17/945259917.db2.gz UOSUBQDYEPFXHQ-FRQCXROJSA-N 1 0 368.481 3.983 20 30 FHEDRO CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000507494339 945265471 /nfs/dbraw/zinc/26/54/71/945265471.db2.gz JENNRRJOSZXRLX-MAUKXSAKSA-N 1 0 352.457 3.974 20 30 FHEDRO COc1ncccc1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000261963608 945266022 /nfs/dbraw/zinc/26/60/22/945266022.db2.gz AENVUWNJJVBCEF-SNVBAGLBSA-N 1 0 353.253 3.563 20 30 FHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000179607088 939893891 /nfs/dbraw/zinc/89/38/91/939893891.db2.gz VRXAEEHSOAHFFP-ZDUSSCGKSA-N 1 0 359.376 3.839 20 30 FHEDRO Cc1ccc2cc(C[NH2+]C3CCN(c4ccc(C#N)cn4)CC3)ccc2n1 ZINC000364631564 939974413 /nfs/dbraw/zinc/97/44/13/939974413.db2.gz IMGORJGQPUGBCQ-UHFFFAOYSA-N 1 0 357.461 3.569 20 30 FHEDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000728610742 939974544 /nfs/dbraw/zinc/97/45/44/939974544.db2.gz LMOGWUOHVQFZMM-HXUWFJFHSA-N 1 0 351.450 3.667 20 30 FHEDRO C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364691818 939983404 /nfs/dbraw/zinc/98/34/04/939983404.db2.gz XFWABUOSAMPBCH-MRXNPFEDSA-N 1 0 362.477 3.680 20 30 FHEDRO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@](C)(C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000612379490 940033880 /nfs/dbraw/zinc/03/38/80/940033880.db2.gz RAIWQPBLSTVFOK-CBQOVEMMSA-N 1 0 368.525 3.622 20 30 FHEDRO Cn1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000365190252 940079857 /nfs/dbraw/zinc/07/98/57/940079857.db2.gz GMIOQCMXSVDKSL-IRLDBZIGSA-N 1 0 358.445 3.579 20 30 FHEDRO Cn1cc(C[N@H+](C)CCOc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000179891442 940084341 /nfs/dbraw/zinc/08/43/41/940084341.db2.gz YOIHHLIJKNKFBB-UHFFFAOYSA-N 1 0 364.424 3.609 20 30 FHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC000365246147 940096180 /nfs/dbraw/zinc/09/61/80/940096180.db2.gz YMYSKENANLEFBY-BJWYYQGGSA-N 1 0 359.445 3.717 20 30 FHEDRO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000548936823 940108079 /nfs/dbraw/zinc/10/80/79/940108079.db2.gz NOHZMRGFFMDSMC-QGZVFWFLSA-N 1 0 362.477 3.756 20 30 FHEDRO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000365309953 940120473 /nfs/dbraw/zinc/12/04/73/940120473.db2.gz LWQVIVDCFYAKHQ-IBGZPJMESA-N 1 0 364.493 3.522 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000413821147 940150319 /nfs/dbraw/zinc/15/03/19/940150319.db2.gz IKHAQDRPWCWPHB-LEWJYISDSA-N 1 0 355.526 3.834 20 30 FHEDRO CC(C)CCOC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179944641 940159043 /nfs/dbraw/zinc/15/90/43/940159043.db2.gz YCAOVRSXBXHEKM-UHFFFAOYSA-N 1 0 366.509 3.986 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000413834195 940166759 /nfs/dbraw/zinc/16/67/59/940166759.db2.gz LLOUDCPOLFQUMO-SFTDATJTSA-N 1 0 355.526 3.547 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000376003168 940171299 /nfs/dbraw/zinc/17/12/99/940171299.db2.gz JESBDZYTYDYTTR-KSSFIOAISA-N 1 0 357.841 3.536 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000376001938 940175227 /nfs/dbraw/zinc/17/52/27/940175227.db2.gz XNWGEQSLDYXWAL-UHFFFAOYSA-N 1 0 356.495 3.584 20 30 FHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C#N)cc3OC)ccc2NC1=O ZINC000180017992 940249405 /nfs/dbraw/zinc/24/94/05/940249405.db2.gz BBWZHIOFIZWIPW-UGSOOPFHSA-N 1 0 365.433 3.527 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116576 940258107 /nfs/dbraw/zinc/25/81/07/940258107.db2.gz RLVMUBOBWJLIFD-SJKOYZFVSA-N 1 0 356.297 3.868 20 30 FHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(C#N)ccc1Cl ZINC000376106132 940315537 /nfs/dbraw/zinc/31/55/37/940315537.db2.gz FZTLLXLMNOQDBE-UHFFFAOYSA-N 1 0 368.868 3.595 20 30 FHEDRO C[NH+](C)CCOc1ccc(-c2noc(/C=C\c3ccccc3C#N)n2)cc1 ZINC000612897396 940328821 /nfs/dbraw/zinc/32/88/21/940328821.db2.gz CCMZPPJDCBZMSN-XFXZXTDPSA-N 1 0 360.417 3.719 20 30 FHEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000612906396 940333393 /nfs/dbraw/zinc/33/33/93/940333393.db2.gz XPDFFSFTPUQYEJ-VQTJNVASSA-N 1 0 365.502 3.896 20 30 FHEDRO Cn1cc(C[NH2+]CCc2c(F)cccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000180062719 940346915 /nfs/dbraw/zinc/34/69/15/940346915.db2.gz RJGKVRHNIBGLBI-UHFFFAOYSA-N 1 0 352.388 3.569 20 30 FHEDRO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000376163528 940396231 /nfs/dbraw/zinc/39/62/31/940396231.db2.gz BXYJMEPVZGRENB-HNNXBMFYSA-N 1 0 354.523 3.886 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000376167284 940405169 /nfs/dbraw/zinc/40/51/69/940405169.db2.gz QJUJMAGJZKETSK-ONGXBYRLSA-N 1 0 353.441 3.824 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000469475053 945322977 /nfs/dbraw/zinc/32/29/77/945322977.db2.gz VAAIKLJHFYZNPX-CQSZACIVSA-N 1 0 367.396 3.671 20 30 FHEDRO CCC[N@H+](C)[C@@H](CNC(=O)c1ncc(C#N)cc1C)c1ccc(Cl)cc1 ZINC000580176653 940469365 /nfs/dbraw/zinc/46/93/65/940469365.db2.gz UFHJFZDGUUIYIL-SFHVURJKSA-N 1 0 370.884 3.728 20 30 FHEDRO Cn1cc(C(C)(C)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000545290451 940475919 /nfs/dbraw/zinc/47/59/19/940475919.db2.gz ANPSPVARFVSWAS-UHFFFAOYSA-N 1 0 360.461 3.896 20 30 FHEDRO C[C@@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581334499 940499524 /nfs/dbraw/zinc/49/95/24/940499524.db2.gz YTBPIZVINQEVFC-KDOFPFPSSA-N 1 0 368.868 3.996 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000613378112 940648678 /nfs/dbraw/zinc/64/86/78/940648678.db2.gz YFDBNHDKGAXAHJ-NRFANRHFSA-N 1 0 355.453 3.959 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000582461554 940667417 /nfs/dbraw/zinc/66/74/17/940667417.db2.gz ZHOWARRDVOAYFI-BDTNDASRSA-N 1 0 353.510 3.559 20 30 FHEDRO C[NH+](C)CCOc1ccccc1CNc1nc(C(C)(C)C)ccc1C#N ZINC000613417401 940689365 /nfs/dbraw/zinc/68/93/65/940689365.db2.gz VRFGVACNZNANSN-UHFFFAOYSA-N 1 0 352.482 3.803 20 30 FHEDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000376282613 940693526 /nfs/dbraw/zinc/69/35/26/940693526.db2.gz RGWLBDZQEPUEMM-AWEZNQCLSA-N 1 0 360.417 3.538 20 30 FHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000376300838 940727242 /nfs/dbraw/zinc/72/72/42/940727242.db2.gz FLASUMKVADGALW-UHFFFAOYSA-N 1 0 361.445 3.832 20 30 FHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCCCCNc1ccccn1 ZINC000170691268 940777992 /nfs/dbraw/zinc/77/79/92/940777992.db2.gz DYLUXMWXVZDBNV-UHFFFAOYSA-N 1 0 354.458 3.524 20 30 FHEDRO CC(C)Cn1ncc2cc(C(=O)NC3CC[NH+](C4CCCC4)CC3)cnc21 ZINC000330090846 945352515 /nfs/dbraw/zinc/35/25/15/945352515.db2.gz XDZMJBCCDMNUKA-UHFFFAOYSA-N 1 0 369.513 3.799 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000180254449 940883929 /nfs/dbraw/zinc/88/39/29/940883929.db2.gz RXQDZICQGNFMFY-HNNXBMFYSA-N 1 0 364.424 3.655 20 30 FHEDRO CC[NH+](CC)CC1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000440250085 945357744 /nfs/dbraw/zinc/35/77/44/945357744.db2.gz YXGVNBULSPZBME-HXUWFJFHSA-N 1 0 356.514 3.795 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000414304441 940923720 /nfs/dbraw/zinc/92/37/20/940923720.db2.gz OTIDTIYQZUQSDC-OXQOHEQNSA-N 1 0 358.507 3.896 20 30 FHEDRO CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000414312158 940939012 /nfs/dbraw/zinc/93/90/12/940939012.db2.gz WEWJEEKDZRZGNC-QFIPXVFZSA-N 1 0 363.505 3.626 20 30 FHEDRO [NH3+][C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1F ZINC000658975603 940956810 /nfs/dbraw/zinc/95/68/10/940956810.db2.gz GAXJHSYRZQBRFP-GHMZBOCLSA-N 1 0 373.272 3.627 20 30 FHEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000376425866 940972143 /nfs/dbraw/zinc/97/21/43/940972143.db2.gz JILQGVBXYCKAQK-XLIONFOSSA-N 1 0 364.493 3.501 20 30 FHEDRO C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330122229 945365611 /nfs/dbraw/zinc/36/56/11/945365611.db2.gz ABXJRJZFHCUHOT-CMPZQBNXSA-N 1 0 366.465 3.598 20 30 FHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(C#N)s3)CCN2C2CC2)c1 ZINC000180375920 940992335 /nfs/dbraw/zinc/99/23/35/940992335.db2.gz KYFLZURSJZNAKN-PMACEKPBSA-N 1 0 353.491 3.696 20 30 FHEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000414350501 941027749 /nfs/dbraw/zinc/02/77/49/941027749.db2.gz LMMTVAVDJJBNGY-KDOFPFPSSA-N 1 0 362.315 3.695 20 30 FHEDRO Cc1sc(NC(=O)CN(Cc2cccc(O)c2)CC2CC2)c(C#N)c1C ZINC000177085957 941099112 /nfs/dbraw/zinc/09/91/12/941099112.db2.gz GBIWAFJIDDIPDQ-UHFFFAOYSA-N 1 0 369.490 3.793 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)C2(C)CC2)c1C#N ZINC000177229062 941109564 /nfs/dbraw/zinc/10/95/64/941109564.db2.gz FCZKKXUKAASFBI-MRXNPFEDSA-N 1 0 368.481 3.677 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-c2cccnc2)cc1 ZINC000181304180 941121110 /nfs/dbraw/zinc/12/11/10/941121110.db2.gz JMRLOQGJZGJGRA-AWEZNQCLSA-N 1 0 362.458 3.971 20 30 FHEDRO N#Cc1c(F)cccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000188891880 941127668 /nfs/dbraw/zinc/12/76/68/941127668.db2.gz OFHIKCYYXPFHKU-UHFFFAOYSA-N 1 0 351.425 3.613 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177539354 941135131 /nfs/dbraw/zinc/13/51/31/941135131.db2.gz ILXIYYHOIUMBMK-BRWVUGGUSA-N 1 0 357.523 3.999 20 30 FHEDRO CN(C(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)C1(C#N)CCCCC1 ZINC000472621369 941139567 /nfs/dbraw/zinc/13/95/67/941139567.db2.gz DAHJGEDQFBFZOO-UXHICEINSA-N 1 0 353.510 3.672 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000177785168 941150215 /nfs/dbraw/zinc/15/02/15/941150215.db2.gz IRXSNWWLOHQAHV-CYBMUJFWSA-N 1 0 371.403 3.596 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000189191966 941151191 /nfs/dbraw/zinc/15/11/91/941151191.db2.gz UICRZHXKUGPVFC-QFIPXVFZSA-N 1 0 373.500 3.617 20 30 FHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cccc(C#N)c1C ZINC000178551958 941278763 /nfs/dbraw/zinc/27/87/63/941278763.db2.gz GOMTXDKJEOYTLZ-UHFFFAOYSA-N 1 0 363.465 3.571 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000178810866 941308768 /nfs/dbraw/zinc/30/87/68/941308768.db2.gz KCZFTSDCWBKPJX-UHFFFAOYSA-N 1 0 367.497 3.569 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000181558631 941365242 /nfs/dbraw/zinc/36/52/42/941365242.db2.gz UIUOUZUWXVHMCT-ROUUACIJSA-N 1 0 365.477 3.995 20 30 FHEDRO CC(C)(C#N)CCCC[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000376633939 941369456 /nfs/dbraw/zinc/36/94/56/941369456.db2.gz IEEIZGADJDBYJH-UHFFFAOYSA-N 1 0 359.489 3.623 20 30 FHEDRO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC#N)cc1 ZINC000181722593 941370329 /nfs/dbraw/zinc/37/03/29/941370329.db2.gz RIBWAVSDGHHCOA-IAGOWNOFSA-N 1 0 373.497 3.887 20 30 FHEDRO CC(C)[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H](C)c1ccccc1 ZINC000589999743 941380118 /nfs/dbraw/zinc/38/01/18/941380118.db2.gz DIWRZJJKZDPQDP-RXVVDRJESA-N 1 0 352.478 3.964 20 30 FHEDRO C=CCN(CC(=O)NC(=O)Nc1cccc(C)c1C)Cc1ccccc1 ZINC000027776939 941382983 /nfs/dbraw/zinc/38/29/83/941382983.db2.gz LYOVVKLYCLSVLE-UHFFFAOYSA-N 1 0 351.450 3.640 20 30 FHEDRO N#CCCCOc1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376737101 941397563 /nfs/dbraw/zinc/39/75/63/941397563.db2.gz ABMGMPGFNSTLSB-UHFFFAOYSA-N 1 0 360.461 3.822 20 30 FHEDRO COc1ccc(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1F ZINC000170915024 941433526 /nfs/dbraw/zinc/43/35/26/941433526.db2.gz ZIGULIDWGXATNH-UHFFFAOYSA-N 1 0 371.334 3.702 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376839936 941447580 /nfs/dbraw/zinc/44/75/80/941447580.db2.gz ASGPLEMZBMWYEK-CZUORRHYSA-N 1 0 359.495 3.508 20 30 FHEDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(C#N)cn1 ZINC001125855654 941479827 /nfs/dbraw/zinc/47/98/27/941479827.db2.gz WMEISQAQBVMWRL-WOJBJXKFSA-N 1 0 362.477 3.686 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000376995871 941486124 /nfs/dbraw/zinc/48/61/24/941486124.db2.gz ZOPFFIHMXBRASZ-OAQYLSRUSA-N 1 0 356.514 3.528 20 30 FHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)CCC#N ZINC000377004757 941488662 /nfs/dbraw/zinc/48/86/62/941488662.db2.gz HNJLCKGDYRJKGT-HXUWFJFHSA-N 1 0 370.541 3.870 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)NCC(C)(C)CCC#N ZINC000377032862 941498671 /nfs/dbraw/zinc/49/86/71/941498671.db2.gz RZYAUORCNGUHRS-ICSRJNTNSA-N 1 0 370.541 3.868 20 30 FHEDRO C[C@@H]1OCCC[C@@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000330055688 941513281 /nfs/dbraw/zinc/51/32/81/941513281.db2.gz USVPZICKOCAACT-IRXDYDNUSA-N 1 0 352.519 3.572 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C1CC([NH3+])C1 ZINC000414968037 941527530 /nfs/dbraw/zinc/52/75/30/941527530.db2.gz RBZKEKVCRSEIBX-UHFFFAOYSA-N 1 0 370.840 3.957 20 30 FHEDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415008072 941538264 /nfs/dbraw/zinc/53/82/64/941538264.db2.gz MIFNEMPZFSEIPB-FQEVSTJZSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415013413 941540025 /nfs/dbraw/zinc/54/00/25/941540025.db2.gz UZBNAYIFAMULHS-DOTOQJQBSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415013417 941540087 /nfs/dbraw/zinc/54/00/87/941540087.db2.gz UZBNAYIFAMULHS-RDJZCZTQSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H](C[NH3+])C1 ZINC000415003675 941541549 /nfs/dbraw/zinc/54/15/49/941541549.db2.gz GJEJBEVTWOSWKS-QAPCUYQASA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000415014736 941542836 /nfs/dbraw/zinc/54/28/36/941542836.db2.gz XGFXHSGOXJUBHC-RHSMWYFYSA-N 1 0 350.422 3.613 20 30 FHEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415033202 941556420 /nfs/dbraw/zinc/55/64/20/941556420.db2.gz GSLKNXAXBQSOCX-LSDHHAIUSA-N 1 0 350.422 3.565 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H](C)C[NH2+]1 ZINC000415033198 941556433 /nfs/dbraw/zinc/55/64/33/941556433.db2.gz GSLKNXAXBQSOCX-GJZGRUSLSA-N 1 0 350.422 3.565 20 30 FHEDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415038926 941559275 /nfs/dbraw/zinc/55/92/75/941559275.db2.gz MLQOEBVCWXJZHB-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])cc2)cc1 ZINC000415045772 941569507 /nfs/dbraw/zinc/56/95/07/941569507.db2.gz UKXAHYOGEHRMJS-OXQOHEQNSA-N 1 0 364.449 3.990 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415062757 941581013 /nfs/dbraw/zinc/58/10/13/941581013.db2.gz MZDDCOAVRQULFI-DOTOQJQBSA-N 1 0 364.449 3.921 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000377253175 941598179 /nfs/dbraw/zinc/59/81/79/941598179.db2.gz STGORQMAKODSGH-HXUWFJFHSA-N 1 0 364.493 3.712 20 30 FHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000415125839 941615746 /nfs/dbraw/zinc/61/57/46/941615746.db2.gz QBGNRADKLRRDIP-IBGZPJMESA-N 1 0 366.465 3.551 20 30 FHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415125842 941615878 /nfs/dbraw/zinc/61/58/78/941615878.db2.gz QBGNRADKLRRDIP-LJQANCHMSA-N 1 0 366.465 3.551 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)c2)cc1 ZINC000415148857 941629825 /nfs/dbraw/zinc/62/98/25/941629825.db2.gz MSYQJRZWNZALFQ-RDJZCZTQSA-N 1 0 350.422 3.599 20 30 FHEDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415153221 941635353 /nfs/dbraw/zinc/63/53/53/941635353.db2.gz WTSOHKIFZVWZLN-HNNXBMFYSA-N 1 0 352.438 3.990 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000415155587 941636756 /nfs/dbraw/zinc/63/67/56/941636756.db2.gz FMHGYBQLQIFFFD-ZBFHGGJFSA-N 1 0 354.479 3.760 20 30 FHEDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415153661 941637079 /nfs/dbraw/zinc/63/70/79/941637079.db2.gz XDYWBVJZZKMKHH-LJQANCHMSA-N 1 0 364.449 3.860 20 30 FHEDRO C[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H]1C[NH3+] ZINC000415151663 941639629 /nfs/dbraw/zinc/63/96/29/941639629.db2.gz APQSEELDUHGMNS-YWZLYKJASA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415161087 941644216 /nfs/dbraw/zinc/64/42/16/941644216.db2.gz MGJXFQUQTGOZQB-NVXWUHKLSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415165419 941647152 /nfs/dbraw/zinc/64/71/52/941647152.db2.gz QJIWGDBBTMAHIN-HXUWFJFHSA-N 1 0 350.422 3.553 20 30 FHEDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415171203 941652439 /nfs/dbraw/zinc/65/24/39/941652439.db2.gz XJMOTKIUQGRXRY-QGZVFWFLSA-N 1 0 352.438 3.990 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[NH2+]1 ZINC000415235360 941691019 /nfs/dbraw/zinc/69/10/19/941691019.db2.gz CLFUORBWIPBFHE-XJKSGUPXSA-N 1 0 368.412 3.752 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000415238633 941692978 /nfs/dbraw/zinc/69/29/78/941692978.db2.gz MGCLJQPNGJZOMO-DZGCQCFKSA-N 1 0 368.412 3.691 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)cc1F ZINC000415241946 941696340 /nfs/dbraw/zinc/69/63/40/941696340.db2.gz SNDRMFQPIPOMPA-OAHLLOKOSA-N 1 0 368.412 3.753 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccnc2-c2ccc(C)s2)CC1 ZINC000189464198 941757136 /nfs/dbraw/zinc/75/71/36/941757136.db2.gz TVBUZDAXYIDQRG-UHFFFAOYSA-N 1 0 356.495 3.890 20 30 FHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(Cl)cc(C)cc32)C[C@H]1[NH+](C)C ZINC000549262647 941786720 /nfs/dbraw/zinc/78/67/20/941786720.db2.gz YSKMTWJITSFBQU-HZPDHXFCSA-N 1 0 360.914 3.550 20 30 FHEDRO CN(C(=O)N[C@H](CCCC#N)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000458839386 941797124 /nfs/dbraw/zinc/79/71/24/941797124.db2.gz MRGVHZOPJPZYTF-JIRNRHONSA-N 1 0 354.498 3.688 20 30 FHEDRO C=CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513225516 941797138 /nfs/dbraw/zinc/79/71/38/941797138.db2.gz BEPCBTSYFBLYNP-IBGZPJMESA-N 1 0 350.462 3.646 20 30 FHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549272776 941813287 /nfs/dbraw/zinc/81/32/87/941813287.db2.gz MLBNXLZTJRECPJ-QUCCMNQESA-N 1 0 371.573 3.896 20 30 FHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549278428 941827794 /nfs/dbraw/zinc/82/77/94/941827794.db2.gz WVJXNQZQYIVRTD-SFHVURJKSA-N 1 0 357.546 3.824 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415532682 941882946 /nfs/dbraw/zinc/88/29/46/941882946.db2.gz GWODZXBEWQTTBY-HZPDHXFCSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@H]1C[NH3+] ZINC000415539762 941886300 /nfs/dbraw/zinc/88/63/00/941886300.db2.gz WKHSISWTCAWCKL-NVXWUHKLSA-N 1 0 364.449 3.799 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cc(OC)c1O ZINC000513391667 941887939 /nfs/dbraw/zinc/88/79/39/941887939.db2.gz ZCSGDCZVZLECFZ-IBGZPJMESA-N 1 0 363.461 3.926 20 30 FHEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415536094 941889535 /nfs/dbraw/zinc/88/95/35/941889535.db2.gz MNOYRRNNRDNWLF-HUUCEWRRSA-N 1 0 350.422 3.552 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)COC)cc1OCC ZINC000119655059 941896083 /nfs/dbraw/zinc/89/60/83/941896083.db2.gz WSPPZCZBPXKMIH-GFCCVEGCSA-N 1 0 358.276 3.537 20 30 FHEDRO N#Cc1c(F)ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1Cl ZINC000377703998 941918801 /nfs/dbraw/zinc/91/88/01/941918801.db2.gz XDOHFFWEPOTDAU-ZFWWWQNUSA-N 1 0 350.846 3.620 20 30 FHEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000377727394 941938545 /nfs/dbraw/zinc/93/85/45/941938545.db2.gz ZWMAHECXAIDYEX-ZDUSSCGKSA-N 1 0 359.271 3.915 20 30 FHEDRO COc1cc(C[N@H+](C)CCOc2cccc(C#N)c2)c(SC)cc1OC ZINC000513467210 941943909 /nfs/dbraw/zinc/94/39/09/941943909.db2.gz RYEOAZNYZYCLLK-UHFFFAOYSA-N 1 0 372.490 3.808 20 30 FHEDRO N#Cc1ccc(-c2nnc(CN3CC[C@@]4(C3)CCc3ccccc3O4)o2)cc1 ZINC000377733473 941944619 /nfs/dbraw/zinc/94/46/19/941944619.db2.gz WUFQITKOGAYLGS-JOCHJYFZSA-N 1 0 372.428 3.578 20 30 FHEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000182587498 941945489 /nfs/dbraw/zinc/94/54/89/941945489.db2.gz XICUDYNMUXZOML-GOSISDBHSA-N 1 0 362.882 3.726 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)cc1 ZINC000728715283 942013369 /nfs/dbraw/zinc/01/33/69/942013369.db2.gz UNIVLJMSSRUODL-KRWDZBQOSA-N 1 0 373.460 3.636 20 30 FHEDRO N#Cc1cnc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c(Cl)c1 ZINC000513618897 942041650 /nfs/dbraw/zinc/04/16/50/942041650.db2.gz JCLXAUAPJSNEQO-UHFFFAOYSA-N 1 0 367.884 3.882 20 30 FHEDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415806435 942058231 /nfs/dbraw/zinc/05/82/31/942058231.db2.gz OBVBGONTCZTZPE-MRXNPFEDSA-N 1 0 352.463 3.535 20 30 FHEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415807414 942058240 /nfs/dbraw/zinc/05/82/40/942058240.db2.gz PZGKFANIATUOEH-GUYCJALGSA-N 1 0 352.463 3.663 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000415811911 942063999 /nfs/dbraw/zinc/06/39/99/942063999.db2.gz YDVVCXJKQAFSNB-UHFFFAOYSA-N 1 0 366.490 3.912 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000414304435 942072134 /nfs/dbraw/zinc/07/21/34/942072134.db2.gz OTIDTIYQZUQSDC-JXFKEZNVSA-N 1 0 358.507 3.896 20 30 FHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000279995822 942087489 /nfs/dbraw/zinc/08/74/89/942087489.db2.gz JBWPNWHQEYSPTL-NRFANRHFSA-N 1 0 372.472 3.518 20 30 FHEDRO C[NH+](C)CCOc1ccccc1-c1noc([C@@H]2C[C@H]2c2cccc(C#N)c2)n1 ZINC000420507620 942089350 /nfs/dbraw/zinc/08/93/50/942089350.db2.gz WZUBXVABCAZWLM-RBUKOAKNSA-N 1 0 374.444 3.820 20 30 FHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)c1cncc(C#N)n1 ZINC000420612266 942118710 /nfs/dbraw/zinc/11/87/10/942118710.db2.gz PCTFWCIRXPGZJY-UHFFFAOYSA-N 1 0 364.280 3.613 20 30 FHEDRO COc1cccc(C=C2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000472926017 942130572 /nfs/dbraw/zinc/13/05/72/942130572.db2.gz JMLSBJBIUOFHII-JTSKRJEESA-N 1 0 369.509 3.617 20 30 FHEDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1Oc1ccccc1C#N)C2 ZINC000183131067 942161664 /nfs/dbraw/zinc/16/16/64/942161664.db2.gz QPQRRPGMJMFHGF-ZWKOTPCHSA-N 1 0 361.445 3.659 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C#N)s1)c1ccccc1 ZINC000420778703 942192568 /nfs/dbraw/zinc/19/25/68/942192568.db2.gz ZWGBFAIBRBKLPP-SFHVURJKSA-N 1 0 356.495 3.502 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)c1ccc(F)c(F)c1 ZINC000502047105 942199037 /nfs/dbraw/zinc/19/90/37/942199037.db2.gz ZHXIKUDJEQXXBM-ZMYBRWDISA-N 1 0 363.452 3.850 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC(F)F)c2ccccc2)CC1 ZINC000420795551 942201920 /nfs/dbraw/zinc/20/19/20/942201920.db2.gz SSQQSFXSZXMKBM-QGZVFWFLSA-N 1 0 351.441 3.723 20 30 FHEDRO N#CCCCC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280547065 942204288 /nfs/dbraw/zinc/20/42/88/942204288.db2.gz QDPARJMNBPXYLE-ZDUSSCGKSA-N 1 0 365.193 3.785 20 30 FHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280589767 942210444 /nfs/dbraw/zinc/21/04/44/942210444.db2.gz SWWDOACOXMCBHZ-UHFFFAOYSA-N 1 0 365.477 3.817 20 30 FHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000128392153 942212655 /nfs/dbraw/zinc/21/26/55/942212655.db2.gz JVTLHMXSTRKSGV-MRXNPFEDSA-N 1 0 368.502 3.562 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)onc2-c2ccccc2C)CC1 ZINC000280601431 942213078 /nfs/dbraw/zinc/21/30/78/942213078.db2.gz USHRHCWBMOZAAD-UHFFFAOYSA-N 1 0 353.466 3.729 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C#N)s1)c1ccsc1 ZINC000420812724 942219993 /nfs/dbraw/zinc/21/99/93/942219993.db2.gz XMEBQUNKRQWFHQ-INIZCTEOSA-N 1 0 362.524 3.564 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000280704721 942235936 /nfs/dbraw/zinc/23/59/36/942235936.db2.gz CRSPMLVISBBOAG-KXBFYZLASA-N 1 0 362.901 3.515 20 30 FHEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(CN2CCOCC2)cc1 ZINC000420899867 942244909 /nfs/dbraw/zinc/24/49/09/942244909.db2.gz GTUFJVKBBOBLAS-UHFFFAOYSA-N 1 0 363.505 3.801 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCC3(C#N)CCC3)cc2)C1 ZINC000419403813 942248608 /nfs/dbraw/zinc/24/86/08/942248608.db2.gz FEYDUVNSNYLPHU-ROUUACIJSA-N 1 0 368.525 3.658 20 30 FHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502278404 942328451 /nfs/dbraw/zinc/32/84/51/942328451.db2.gz SOYNCOMGCHSEHL-NRFANRHFSA-N 1 0 366.509 3.621 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)CC1 ZINC000188118008 942340589 /nfs/dbraw/zinc/34/05/89/942340589.db2.gz IJKLFTPYPKJTDR-UHFFFAOYSA-N 1 0 359.470 3.746 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000501215283 942355022 /nfs/dbraw/zinc/35/50/22/942355022.db2.gz CFTNMQFMUXAOEG-FQEVSTJZSA-N 1 0 350.466 3.633 20 30 FHEDRO C=CCN1CC[C@@H]([N@H+](C)C/C(C)=C/c2ccccc2C(F)(F)F)C1=O ZINC000502357302 942377235 /nfs/dbraw/zinc/37/72/35/942377235.db2.gz WUKGSAISGZZVPU-ABDJAZHISA-N 1 0 352.400 3.827 20 30 FHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CCc1ccc(C#N)cc1 ZINC000502420988 942436777 /nfs/dbraw/zinc/43/67/77/942436777.db2.gz BBEGJTSRMQFPRB-UHFFFAOYSA-N 1 0 363.505 3.861 20 30 FHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416172663 942438643 /nfs/dbraw/zinc/43/86/43/942438643.db2.gz XNVFWXUHDXQNQH-DHIUTWEWSA-N 1 0 373.500 3.733 20 30 FHEDRO C=C(CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000501404712 942463120 /nfs/dbraw/zinc/46/31/20/942463120.db2.gz ZLXCACCURVTVFZ-SIKLNZKXSA-N 1 0 363.505 3.910 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](CCC(=O)N3CCc4ccccc43)CC2)cc1 ZINC000502501855 942480512 /nfs/dbraw/zinc/48/05/12/942480512.db2.gz UZIBPQAFMRVMNV-UHFFFAOYSA-N 1 0 357.457 3.627 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1F ZINC000421328453 942485986 /nfs/dbraw/zinc/48/59/86/942485986.db2.gz SNIDDTUDYQGYKF-FQEVSTJZSA-N 1 0 373.859 3.514 20 30 FHEDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000421359654 942510925 /nfs/dbraw/zinc/51/09/25/942510925.db2.gz GOFUBUPJLSBVHW-MJGOQNOKSA-N 1 0 350.462 3.588 20 30 FHEDRO Cc1c(Cl)c(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)nn1C ZINC000421364928 942517102 /nfs/dbraw/zinc/51/71/02/942517102.db2.gz PZGOIXKWQZPVQH-UHFFFAOYSA-N 1 0 358.873 3.733 20 30 FHEDRO C[NH+]=C(NCc1csc2ccccc12)N1CCC(OCC2CC2)CC1 ZINC000261914574 942554511 /nfs/dbraw/zinc/55/45/11/942554511.db2.gz JPWVCPAKYKZLHP-UHFFFAOYSA-N 1 0 357.523 3.868 20 30 FHEDRO N#Cc1cnc2c(Br)cccc2c1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420280355 942602638 /nfs/dbraw/zinc/60/26/38/942602638.db2.gz LCCUICQJUYWSEW-DGCLKSJQSA-N 1 0 359.271 3.798 20 30 FHEDRO C=C1CCC(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)CC1 ZINC001268966801 942604532 /nfs/dbraw/zinc/60/45/32/942604532.db2.gz DHZUYUDIJZICPC-SFTDATJTSA-N 1 0 361.574 3.528 20 30 FHEDRO CC(C)(CCC#N)C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000378344262 942612917 /nfs/dbraw/zinc/61/29/17/942612917.db2.gz YUIMGAAYRQDOOX-QGZVFWFLSA-N 1 0 355.530 3.904 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCCC3(CCOCC3)C2)c(-c2ccccc2)n1 ZINC000378339751 942614163 /nfs/dbraw/zinc/61/41/63/942614163.db2.gz FQRXOBHSNNVGTD-UHFFFAOYSA-N 1 0 364.493 3.856 20 30 FHEDRO N#Cc1c(F)ccc(C[NH2+]C2CCN(c3nccs3)CC2)c1Cl ZINC000366992529 942653162 /nfs/dbraw/zinc/65/31/62/942653162.db2.gz ZYSOUZYTSCBZME-UHFFFAOYSA-N 1 0 350.850 3.566 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 ZINC000434449367 942672827 /nfs/dbraw/zinc/67/28/27/942672827.db2.gz CKFOAWPCIQMGOF-LJQANCHMSA-N 1 0 357.498 3.562 20 30 FHEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)C1CCN(Cc2ccncc2)CC1 ZINC000378383179 942682270 /nfs/dbraw/zinc/68/22/70/942682270.db2.gz IKRYULBXSULSKG-UHFFFAOYSA-N 1 0 362.521 3.979 20 30 FHEDRO COc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)CC2CCC2)c(OC)c1 ZINC000549424560 942683259 /nfs/dbraw/zinc/68/32/59/942683259.db2.gz VGBXGZBCMHFXNU-UHFFFAOYSA-N 1 0 353.466 3.716 20 30 FHEDRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)ccc1C#N ZINC000367027452 942689326 /nfs/dbraw/zinc/68/93/26/942689326.db2.gz BPAVGIQSNPKXLC-NNZMDNLPSA-N 1 0 371.481 3.587 20 30 FHEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000434473609 942692084 /nfs/dbraw/zinc/69/20/84/942692084.db2.gz HCRBTXWKOSNKDY-XJKSGUPXSA-N 1 0 361.429 3.737 20 30 FHEDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)N2CCCC2)o1 ZINC000378449446 942783091 /nfs/dbraw/zinc/78/30/91/942783091.db2.gz GEYOUSCOVZLMPR-RMMWZPCPSA-N 1 0 357.498 3.554 20 30 FHEDRO C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000502857067 942801384 /nfs/dbraw/zinc/80/13/84/942801384.db2.gz CGUPEWMUMOOQQE-KZNAEPCWSA-N 1 0 356.514 3.677 20 30 FHEDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000378479762 942808390 /nfs/dbraw/zinc/80/83/90/942808390.db2.gz DHNBHFOQKFMEDF-FQEVSTJZSA-N 1 0 374.444 3.581 20 30 FHEDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000378479763 942808527 /nfs/dbraw/zinc/80/85/27/942808527.db2.gz DHNBHFOQKFMEDF-HXUWFJFHSA-N 1 0 374.444 3.581 20 30 FHEDRO C[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000378477685 942811936 /nfs/dbraw/zinc/81/19/36/942811936.db2.gz RMTZKMGRSBALFV-IBGZPJMESA-N 1 0 361.489 3.855 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC(C)(C)c1ncc(C)s1)C(C)C ZINC000431874117 942827634 /nfs/dbraw/zinc/82/76/34/942827634.db2.gz BOIUATPSGGQYRZ-MRXNPFEDSA-N 1 0 364.559 3.684 20 30 FHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000502913598 942836742 /nfs/dbraw/zinc/83/67/42/942836742.db2.gz SQTCKKRJFZWXBG-KRWDZBQOSA-N 1 0 351.450 3.676 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000434659570 942843787 /nfs/dbraw/zinc/84/37/87/942843787.db2.gz ROJIVPKKQSEODF-FQEVSTJZSA-N 1 0 351.425 3.733 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434671774 942857206 /nfs/dbraw/zinc/85/72/06/942857206.db2.gz JQPBTKORZVKSKK-LBPRGKRZSA-N 1 0 351.903 3.756 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(C#N)c1 ZINC000378549987 942880866 /nfs/dbraw/zinc/88/08/66/942880866.db2.gz LOIGGPVJRDGZPJ-IFXJQAMLSA-N 1 0 361.424 3.621 20 30 FHEDRO Cc1cc(Br)cn2cc(CC[NH2+]CC(C)(C)CCC#N)nc12 ZINC000273357188 942939221 /nfs/dbraw/zinc/93/92/21/942939221.db2.gz CBGQSLRSHZGEMT-UHFFFAOYSA-N 1 0 363.303 3.867 20 30 FHEDRO C=CCOCC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000549446687 942951114 /nfs/dbraw/zinc/95/11/14/942951114.db2.gz YYVOFVOBMLPDRU-OAHLLOKOSA-N 1 0 357.235 3.631 20 30 FHEDRO N#CC1(CCC[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)CCOCC1 ZINC000281962062 943014227 /nfs/dbraw/zinc/01/42/27/943014227.db2.gz KMONDTUWLFIOQI-OAQYLSRUSA-N 1 0 356.510 3.849 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000503200836 943050019 /nfs/dbraw/zinc/05/00/19/943050019.db2.gz VZYHONDSOBXZQT-MOPGFXCFSA-N 1 0 367.497 3.598 20 30 FHEDRO CCOc1cc2c(cc1OCC)C[N@H+](CCCC1(C#N)CCOCC1)CC2 ZINC000282146058 943052371 /nfs/dbraw/zinc/05/23/71/943052371.db2.gz ZZUYFEKDPFZYAX-UHFFFAOYSA-N 1 0 372.509 3.943 20 30 FHEDRO COC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271833379 943057976 /nfs/dbraw/zinc/05/79/76/943057976.db2.gz FIHVEYYGOCLGSX-HNNXBMFYSA-N 1 0 353.422 3.661 20 30 FHEDRO C[C@@H](C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1)c1nccs1 ZINC000434986748 943087445 /nfs/dbraw/zinc/08/74/45/943087445.db2.gz QBYZPVDBCJQCLE-HNNXBMFYSA-N 1 0 366.494 3.551 20 30 FHEDRO C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272222068 943116480 /nfs/dbraw/zinc/11/64/80/943116480.db2.gz CFCLKMOOUVIBFP-FXAWDEMLSA-N 1 0 362.477 3.785 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1 ZINC000514597183 943137949 /nfs/dbraw/zinc/13/79/49/943137949.db2.gz IQWOEWBIRLRBDN-ACIOBRDBSA-N 1 0 358.441 3.597 20 30 FHEDRO C[C@@H]1C[C@]1([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000503378675 943156521 /nfs/dbraw/zinc/15/65/21/943156521.db2.gz QFUUEVDUKBFTAA-AUUYWEPGSA-N 1 0 374.893 3.510 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000108330757 943157347 /nfs/dbraw/zinc/15/73/47/943157347.db2.gz GOVFRNWZAOQSSK-OAHLLOKOSA-N 1 0 367.424 3.561 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(N(C)C)cc1C)C(C)C ZINC000503412769 943170328 /nfs/dbraw/zinc/17/03/28/943170328.db2.gz WIQUIJSIAOPGIM-HXUWFJFHSA-N 1 0 358.530 3.881 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1nc2ccccc2s1)C(C)C ZINC000503432699 943180866 /nfs/dbraw/zinc/18/08/66/943180866.db2.gz NUPSNXKEQWQCGI-QGZVFWFLSA-N 1 0 372.538 3.794 20 30 FHEDRO COc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1OCc1ccncc1 ZINC000272580580 943180896 /nfs/dbraw/zinc/18/08/96/943180896.db2.gz YAHXGIIEZUEJMG-UHFFFAOYSA-N 1 0 351.450 3.795 20 30 FHEDRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000183800848 943192159 /nfs/dbraw/zinc/19/21/59/943192159.db2.gz LKMVDVJEKVAPCY-UHFFFAOYSA-N 1 0 374.504 3.741 20 30 FHEDRO CC1(C#N)CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000272649744 943193922 /nfs/dbraw/zinc/19/39/22/943193922.db2.gz JZTUUNURRUENQN-GOSISDBHSA-N 1 0 374.916 3.812 20 30 FHEDRO COCC[N@H+](C)CC[C@@H](Nc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000505615327 943194381 /nfs/dbraw/zinc/19/43/81/943194381.db2.gz TUKKJWFZYZFLMN-GOSISDBHSA-N 1 0 358.873 3.728 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000435160477 943216195 /nfs/dbraw/zinc/21/61/95/943216195.db2.gz HYIZGNGUKNAIMW-RDTXWAMCSA-N 1 0 352.413 3.654 20 30 FHEDRO C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000458846623 943221978 /nfs/dbraw/zinc/22/19/78/943221978.db2.gz RCJUGQXTBOARAB-PXNSSMCTSA-N 1 0 354.498 3.547 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000273075575 943269929 /nfs/dbraw/zinc/26/99/29/943269929.db2.gz PJNZGBBSBLCURC-JSNMRZPZSA-N 1 0 373.522 3.567 20 30 FHEDRO N#C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000505638001 943272612 /nfs/dbraw/zinc/27/26/12/943272612.db2.gz RLXLHRWFJMGUQY-YLJYHZDGSA-N 1 0 367.880 3.933 20 30 FHEDRO C=CCC[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281043 943300050 /nfs/dbraw/zinc/30/00/50/943300050.db2.gz PMVKJWPNEBRCCZ-FGZHOGPDSA-N 1 0 364.489 3.711 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000503688052 943332764 /nfs/dbraw/zinc/33/27/64/943332764.db2.gz JXALDNCQESQUBC-IBGZPJMESA-N 1 0 353.853 3.779 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435352425 943350714 /nfs/dbraw/zinc/35/07/14/943350714.db2.gz DVOBRUNGOLBNOB-IBGZPJMESA-N 1 0 373.500 3.713 20 30 FHEDRO CN(C(=O)C1(c2cccc(C#N)c2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000435365424 943360133 /nfs/dbraw/zinc/36/01/33/943360133.db2.gz TXGDOFNWKLXNGS-UHFFFAOYSA-N 1 0 373.500 3.713 20 30 FHEDRO C=CCOc1ccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435396270 943390391 /nfs/dbraw/zinc/39/03/91/943390391.db2.gz XMLFFFOOVBKBTF-NRFANRHFSA-N 1 0 351.494 3.791 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000582103529 943402944 /nfs/dbraw/zinc/40/29/44/943402944.db2.gz VCBJNWONEPYCNA-JZXOWHBKSA-N 1 0 370.415 3.593 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613733005 943412768 /nfs/dbraw/zinc/41/27/68/943412768.db2.gz JQDMQYXEQXNYJR-IEBWSBKVSA-N 1 0 351.494 3.936 20 30 FHEDRO C=CCOc1cccc(CN(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435444320 943420369 /nfs/dbraw/zinc/42/03/69/943420369.db2.gz WFODUNFTSGMQCQ-IBGZPJMESA-N 1 0 369.534 3.852 20 30 FHEDRO CC(C)C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[NH+](C)C ZINC000435507876 943449647 /nfs/dbraw/zinc/44/96/47/943449647.db2.gz PLMNPSMPHKEYFZ-QGZVFWFLSA-N 1 0 354.498 3.651 20 30 FHEDRO C=CCC(C)(C)C(=O)N1C[C@@H]2CC[N@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001269977063 943469627 /nfs/dbraw/zinc/46/96/27/943469627.db2.gz HOIPJICHJMSHQO-CALCHBBNSA-N 1 0 361.555 3.724 20 30 FHEDRO C=CCC(C)(C)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001269977166 943470618 /nfs/dbraw/zinc/47/06/18/943470618.db2.gz IXUUEPFMDSUEPO-HXUWFJFHSA-N 1 0 361.555 3.868 20 30 FHEDRO C=CCC(C)(C)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001269977165 943470778 /nfs/dbraw/zinc/47/07/78/943470778.db2.gz IXUUEPFMDSUEPO-FQEVSTJZSA-N 1 0 361.555 3.868 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1C#N ZINC000435547255 943480343 /nfs/dbraw/zinc/48/03/43/943480343.db2.gz CSZWVZVIGFDCEI-LJQANCHMSA-N 1 0 370.497 3.731 20 30 FHEDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000423379951 943495958 /nfs/dbraw/zinc/49/59/58/943495958.db2.gz YHFRWCCWRVTTCY-APXLUKDGSA-N 1 0 359.395 3.772 20 30 FHEDRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417369819 943551616 /nfs/dbraw/zinc/55/16/16/943551616.db2.gz RQSVFTDOKJMPJH-SJKOYZFVSA-N 1 0 359.271 3.573 20 30 FHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417397261 943572292 /nfs/dbraw/zinc/57/22/92/943572292.db2.gz XXNUUEGIQSAXOS-YCRPNKLZSA-N 1 0 363.461 3.951 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000435725640 943582255 /nfs/dbraw/zinc/58/22/55/943582255.db2.gz HUXIBFRBIPBNOX-PXAZEXFGSA-N 1 0 367.280 3.645 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000435735036 943587436 /nfs/dbraw/zinc/58/74/36/943587436.db2.gz ISSAZNGFRDQSPB-SJCJKPOMSA-N 1 0 367.280 3.645 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435742691 943592757 /nfs/dbraw/zinc/59/27/57/943592757.db2.gz WRNNEIOHKBEUFV-PBHICJAKSA-N 1 0 359.451 3.789 20 30 FHEDRO C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000183965908 943603565 /nfs/dbraw/zinc/60/35/65/943603565.db2.gz BTQIJVYNEVLFLD-CYBMUJFWSA-N 1 0 358.442 3.670 20 30 FHEDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000584809032 943655678 /nfs/dbraw/zinc/65/56/78/943655678.db2.gz APOPLRKUWRLDNH-VWLOTQADSA-N 1 0 366.408 3.745 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000424105225 943720152 /nfs/dbraw/zinc/72/01/52/943720152.db2.gz VDEAZLWXCNSFQE-RBUKOAKNSA-N 1 0 355.869 3.761 20 30 FHEDRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@@H]([NH3+])CCCC#N)s1 ZINC000424093008 943728374 /nfs/dbraw/zinc/72/83/74/943728374.db2.gz QGFQEYUTGGGSNN-HNNXBMFYSA-N 1 0 362.886 3.655 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000424112000 943736986 /nfs/dbraw/zinc/73/69/86/943736986.db2.gz HWIYDYSRUPZKFX-JKSUJKDBSA-N 1 0 353.388 3.780 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000424113933 943738535 /nfs/dbraw/zinc/73/85/35/943738535.db2.gz PDJFLTIXOBBMDC-HOTGVXAUSA-N 1 0 353.388 3.780 20 30 FHEDRO COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424117031 943740222 /nfs/dbraw/zinc/74/02/22/943740222.db2.gz CFGQZQLJZWXYAD-BEFAXECRSA-N 1 0 351.450 3.561 20 30 FHEDRO Cc1cccc(COc2ccc([C@H](C)NC(=O)[C@H]([NH3+])CCCC#N)cc2)c1 ZINC000424117942 943740760 /nfs/dbraw/zinc/74/07/60/943740760.db2.gz ZJWNLJXNGOTFQR-LAUBAEHRSA-N 1 0 365.477 3.772 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000424139573 943748468 /nfs/dbraw/zinc/74/84/68/943748468.db2.gz RJYCBRQJZYDRIY-INIZCTEOSA-N 1 0 356.857 3.912 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000424174764 943761586 /nfs/dbraw/zinc/76/15/86/943761586.db2.gz OMUYBCWZALIBNH-LPHOPBHVSA-N 1 0 358.869 3.995 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000424179150 943762464 /nfs/dbraw/zinc/76/24/64/943762464.db2.gz YJFAKSYEZUCJOA-SFHVURJKSA-N 1 0 357.454 3.614 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)CC2)cc1 ZINC000473559272 943777746 /nfs/dbraw/zinc/77/77/46/943777746.db2.gz FHLUWPUJEGIJOZ-NRFANRHFSA-N 1 0 365.521 3.751 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000515293090 943777780 /nfs/dbraw/zinc/77/77/80/943777780.db2.gz GBFUVDZMVMWRNP-ACJLOTCBSA-N 1 0 363.914 3.758 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162457090 943804496 /nfs/dbraw/zinc/80/44/96/943804496.db2.gz JNEUOZJJPJGHBO-MRXNPFEDSA-N 1 0 364.555 3.931 20 30 FHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000424259344 943810210 /nfs/dbraw/zinc/81/02/10/943810210.db2.gz XQNVDPLPMFERMT-IRXDYDNUSA-N 1 0 363.575 3.590 20 30 FHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1C[C@H](OCC)C1(C)C ZINC000584869551 943825361 /nfs/dbraw/zinc/82/53/61/943825361.db2.gz NFMSRCDZENTTPX-OALUTQOASA-N 1 0 357.498 3.802 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000424298712 943826277 /nfs/dbraw/zinc/82/62/77/943826277.db2.gz TUNALUKMYCHKRK-JQHSSLGASA-N 1 0 350.300 3.951 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000366670309 943846330 /nfs/dbraw/zinc/84/63/30/943846330.db2.gz HZVDVNQZIKYYSV-SVFBPWRDSA-N 1 0 369.509 3.811 20 30 FHEDRO CCOC(=O)Cn1nc(C)c(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000437579584 943934782 /nfs/dbraw/zinc/93/47/82/943934782.db2.gz OEOBSTVQPWWSEB-INIZCTEOSA-N 1 0 368.481 3.518 20 30 FHEDRO C=CCC[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000417908463 943945626 /nfs/dbraw/zinc/94/56/26/943945626.db2.gz BNGAYLLGAFAHNS-HOTGVXAUSA-N 1 0 355.404 3.764 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000425450768 943966313 /nfs/dbraw/zinc/96/63/13/943966313.db2.gz LGKPYEZXOVRZCQ-OXQOHEQNSA-N 1 0 356.514 3.771 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000437609577 943966572 /nfs/dbraw/zinc/96/65/72/943966572.db2.gz XGAGQHCGVLKXHF-GCJKJVERSA-N 1 0 358.526 3.764 20 30 FHEDRO C=CCCc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000505010138 943967465 /nfs/dbraw/zinc/96/74/65/943967465.db2.gz BWJHHUODRPFFHG-SFTDATJTSA-N 1 0 371.525 3.695 20 30 FHEDRO C=CCOc1ccccc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027936033 943968474 /nfs/dbraw/zinc/96/84/74/943968474.db2.gz RUDBRBAWTFUXNS-UHFFFAOYSA-N 1 0 364.489 3.688 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000437615808 943972228 /nfs/dbraw/zinc/97/22/28/943972228.db2.gz JOMGUPMIRVOODL-AVRDEDQJSA-N 1 0 358.526 3.906 20 30 FHEDRO C=CCN(C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H](C)COC ZINC000664519151 943975739 /nfs/dbraw/zinc/97/57/39/943975739.db2.gz HOOHLZMAXLKGAC-SFHLNBCPSA-N 1 0 373.541 3.520 20 30 FHEDRO C=CCC1(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CCOCC1 ZINC000424564822 943976769 /nfs/dbraw/zinc/97/67/69/943976769.db2.gz MHAAXCNXJHXCRS-UHFFFAOYSA-N 1 0 370.537 3.908 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000437642962 943992610 /nfs/dbraw/zinc/99/26/10/943992610.db2.gz BCGPZWLZBDEGPT-XLIONFOSSA-N 1 0 364.555 3.866 20 30 FHEDRO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCOCC1 ZINC000424620975 944015372 /nfs/dbraw/zinc/01/53/72/944015372.db2.gz DLVWBORPOGSKEC-UHFFFAOYSA-N 1 0 360.523 3.547 20 30 FHEDRO C[C@H](C[NH3+])CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414910955 944022860 /nfs/dbraw/zinc/02/28/60/944022860.db2.gz SJVKYDXRGOESMH-CXAGYDPISA-N 1 0 356.857 3.712 20 30 FHEDRO Cc1cccc2c(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)coc21 ZINC000424614661 944026815 /nfs/dbraw/zinc/02/68/15/944026815.db2.gz JHWOIILHBFVKQP-UHFFFAOYSA-N 1 0 361.445 3.817 20 30 FHEDRO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000424615838 944027507 /nfs/dbraw/zinc/02/75/07/944027507.db2.gz LHKCQEISEFQKHF-FQEVSTJZSA-N 1 0 356.510 3.530 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)c(C)s2)CC1 ZINC000424652907 944035104 /nfs/dbraw/zinc/03/51/04/944035104.db2.gz RNLLEZWAEGCOHM-UHFFFAOYSA-N 1 0 357.317 3.589 20 30 FHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417984221 944037298 /nfs/dbraw/zinc/03/72/98/944037298.db2.gz CXWZVUWKWXOZSY-KKSFZXQISA-N 1 0 362.477 3.680 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000417983741 944038148 /nfs/dbraw/zinc/03/81/48/944038148.db2.gz CLWXTUKIDHVLQS-VWKPWSFCSA-N 1 0 362.477 3.665 20 30 FHEDRO C=CCCC[C@H](C)NC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000417992305 944040438 /nfs/dbraw/zinc/04/04/38/944040438.db2.gz WLAPWRNOMMBPTA-INIZCTEOSA-N 1 0 373.545 3.511 20 30 FHEDRO CSc1c(F)cccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000436132622 944046131 /nfs/dbraw/zinc/04/61/31/944046131.db2.gz RYGDRLZQBSGCHS-UHFFFAOYSA-N 1 0 371.481 3.623 20 30 FHEDRO C[C@H](NC(=O)NC1(C)CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417997935 944046530 /nfs/dbraw/zinc/04/65/30/944046530.db2.gz SFRZXKHPPKJDEE-INIZCTEOSA-N 1 0 362.477 3.728 20 30 FHEDRO CCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000436134304 944046716 /nfs/dbraw/zinc/04/67/16/944046716.db2.gz DDZVSPWNILUSDP-MAUKXSAKSA-N 1 0 351.450 3.757 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417999685 944048246 /nfs/dbraw/zinc/04/82/46/944048246.db2.gz VCPQQQQDZAXFSR-XFQAVAEZSA-N 1 0 362.477 3.665 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000436138919 944050754 /nfs/dbraw/zinc/05/07/54/944050754.db2.gz YXKHGVCRIAXGFX-FQEVSTJZSA-N 1 0 365.477 3.663 20 30 FHEDRO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000424703056 944076315 /nfs/dbraw/zinc/07/63/15/944076315.db2.gz GMDFQANCFKDNKH-ICSRJNTNSA-N 1 0 356.510 3.529 20 30 FHEDRO C=CCC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000500092185 944083658 /nfs/dbraw/zinc/08/36/58/944083658.db2.gz VGMZVKWKIBMHBU-XJKSGUPXSA-N 1 0 357.420 3.962 20 30 FHEDRO C[NH+](C)C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000500102688 944099808 /nfs/dbraw/zinc/09/98/08/944099808.db2.gz OTLGJEWWBFKLQZ-UXHICEINSA-N 1 0 368.456 3.773 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000515736156 944173779 /nfs/dbraw/zinc/17/37/79/944173779.db2.gz SMSYQRQILVZEMR-LJQANCHMSA-N 1 0 357.542 3.940 20 30 FHEDRO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418140235 944199919 /nfs/dbraw/zinc/19/99/19/944199919.db2.gz FNRNISRBUGPETG-BTYIYWSLSA-N 1 0 364.445 3.666 20 30 FHEDRO N#CC1(CNCc2ccc(Br)c(Br)c2)CCC1 ZINC000418144964 944203552 /nfs/dbraw/zinc/20/35/52/944203552.db2.gz WBWTUFHUHHPMJN-UHFFFAOYSA-N 1 0 358.077 3.995 20 30 FHEDRO N#C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000505791490 944206075 /nfs/dbraw/zinc/20/60/75/944206075.db2.gz VUJSYKQKIFUMIX-FQEVSTJZSA-N 1 0 367.880 3.933 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(F)(c2cccc(OC)c2)CC1 ZINC000500175130 944213029 /nfs/dbraw/zinc/21/30/29/944213029.db2.gz ZDCJUQKNHFXZNH-QGZVFWFLSA-N 1 0 360.473 3.545 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CCCOc2cccc(C#N)c2)C1 ZINC000438991468 944237971 /nfs/dbraw/zinc/23/79/71/944237971.db2.gz CPCDQWAVVYHBII-GFRNBQLOSA-N 1 0 356.510 3.979 20 30 FHEDRO Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)c2cc1C ZINC000425533058 944261870 /nfs/dbraw/zinc/26/18/70/944261870.db2.gz KCOGQXFJOWSEIK-FXAWDEMLSA-N 1 0 362.477 3.579 20 30 FHEDRO C=CC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000111507585 944266267 /nfs/dbraw/zinc/26/62/67/944266267.db2.gz KQQYIVJTIVIGGJ-SEJPIABJSA-N 1 0 353.510 3.790 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCCCOC2CCCCC2)CC1 ZINC000111496057 944275411 /nfs/dbraw/zinc/27/54/11/944275411.db2.gz SHIVFZTVPBVTEP-UHFFFAOYSA-N 1 0 365.562 3.846 20 30 FHEDRO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000123197686 944306795 /nfs/dbraw/zinc/30/67/95/944306795.db2.gz NJSMDZICIVCOSQ-UHFFFAOYSA-N 1 0 371.843 3.745 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@@H+]1C ZINC000438061996 944321615 /nfs/dbraw/zinc/32/16/15/944321615.db2.gz VQSDCSSPMCRVDF-CRAIPNDOSA-N 1 0 364.449 3.955 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cscc2C#N)CC1 ZINC000550179460 944358800 /nfs/dbraw/zinc/35/88/00/944358800.db2.gz QGOCVNVISNZZHA-UHFFFAOYSA-N 1 0 353.491 3.604 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000517543377 944372658 /nfs/dbraw/zinc/37/26/58/944372658.db2.gz AFJVCCRYVBMITJ-DYESRHJHSA-N 1 0 362.477 3.535 20 30 FHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000517528725 944375792 /nfs/dbraw/zinc/37/57/92/944375792.db2.gz FVEUVAUOOUETJF-CVEARBPZSA-N 1 0 360.527 3.933 20 30 FHEDRO Cc1ccc(SC[C@@H](C)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000517558322 944389365 /nfs/dbraw/zinc/38/93/65/944389365.db2.gz OQOYANFKVMPARY-MJGOQNOKSA-N 1 0 370.518 3.571 20 30 FHEDRO CN(c1ccccc1CNCc1cc(C#N)ccc1F)C1CC[NH+](C)CC1 ZINC000759820887 944414978 /nfs/dbraw/zinc/41/49/78/944414978.db2.gz YYZLETDVOQOABK-UHFFFAOYSA-N 1 0 366.484 3.518 20 30 FHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418336287 944433421 /nfs/dbraw/zinc/43/34/21/944433421.db2.gz WVUWWNQIMAQUSM-HXUWFJFHSA-N 1 0 355.482 3.843 20 30 FHEDRO Cc1ccc(C#N)c(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000500296745 944443109 /nfs/dbraw/zinc/44/31/09/944443109.db2.gz OJBRFCXLYQVDAB-KRWDZBQOSA-N 1 0 360.383 3.967 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000506516828 944444429 /nfs/dbraw/zinc/44/44/29/944444429.db2.gz RSLQXYROXAIUNT-IAGOWNOFSA-N 1 0 373.516 3.849 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc(C#N)cs3)cc2)C1 ZINC000438270573 944454250 /nfs/dbraw/zinc/45/42/50/944454250.db2.gz MLUSKDFEJVFNBE-OAHLLOKOSA-N 1 0 353.491 3.782 20 30 FHEDRO N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000517665224 944489323 /nfs/dbraw/zinc/48/93/23/944489323.db2.gz XWCNZRNUOPUUIZ-HXUWFJFHSA-N 1 0 369.509 3.584 20 30 FHEDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000053644137 944505462 /nfs/dbraw/zinc/50/54/62/944505462.db2.gz MHZRDBFYRGWOEM-QUCCMNQESA-N 1 0 356.441 3.814 20 30 FHEDRO C[NH+](C)CCOc1cccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000439292238 944510091 /nfs/dbraw/zinc/51/00/91/944510091.db2.gz DQCCBBYBNWDQHK-FQEVSTJZSA-N 1 0 366.465 3.794 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2ccccc21 ZINC000047010457 944518705 /nfs/dbraw/zinc/51/87/05/944518705.db2.gz CJMGIMPSPVZGSZ-QFIPXVFZSA-N 1 0 361.489 3.569 20 30 FHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000516158625 944544116 /nfs/dbraw/zinc/54/41/16/944544116.db2.gz AJCSNNDMFAGSID-OAQYLSRUSA-N 1 0 369.534 3.956 20 30 FHEDRO CN(C)C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000518606620 944544380 /nfs/dbraw/zinc/54/43/80/944544380.db2.gz YQVCMMQMHUYFNR-NRFANRHFSA-N 1 0 355.457 3.901 20 30 FHEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1 ZINC000517734168 944545716 /nfs/dbraw/zinc/54/57/16/944545716.db2.gz BMTPOURWWZGDNA-MRXNPFEDSA-N 1 0 357.461 3.561 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@H]1C(F)(F)F ZINC000894775356 944574957 /nfs/dbraw/zinc/57/49/57/944574957.db2.gz KMZRAANHVHXBNQ-RRFJBIMHSA-N 1 0 372.362 3.697 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCc4cc[nH]c(=O)c4C3)c2)c1 ZINC000426368611 944579200 /nfs/dbraw/zinc/57/92/00/944579200.db2.gz BBHCSMFTNJWMME-UHFFFAOYSA-N 1 0 371.440 3.796 20 30 FHEDRO C=CCC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2O)CC1)c1ccco1 ZINC000436746485 944586266 /nfs/dbraw/zinc/58/62/66/944586266.db2.gz YHKOOUAIFWUTJZ-SFHVURJKSA-N 1 0 354.450 3.887 20 30 FHEDRO O=C(NC1CCCCC1)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426376687 944587619 /nfs/dbraw/zinc/58/76/19/944587619.db2.gz FUMZJKJXPQVKAX-UHFFFAOYSA-N 1 0 358.913 3.852 20 30 FHEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000184323180 944596395 /nfs/dbraw/zinc/59/63/95/944596395.db2.gz KQSVDEVCKNJJAZ-UHFFFAOYSA-N 1 0 364.449 3.908 20 30 FHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000053681172 944606175 /nfs/dbraw/zinc/60/61/75/944606175.db2.gz UUOJZNXUMHVYFU-HNNXBMFYSA-N 1 0 371.868 3.940 20 30 FHEDRO C[N@H+](CCCOc1ccc(Cl)cc1)CCC(=O)Nc1ccccc1C#N ZINC000053681545 944607916 /nfs/dbraw/zinc/60/79/16/944607916.db2.gz SDKLFXBGGLLYSH-UHFFFAOYSA-N 1 0 371.868 3.941 20 30 FHEDRO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000439455489 944639757 /nfs/dbraw/zinc/63/97/57/944639757.db2.gz UZMMDAMBJSZVCR-CYBMUJFWSA-N 1 0 358.825 3.614 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000517800617 944640444 /nfs/dbraw/zinc/64/04/44/944640444.db2.gz QFMZOZKWPUKODE-OFNKIYASSA-N 1 0 373.500 3.964 20 30 FHEDRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCC(CCC#N)CC1 ZINC000516293256 944674798 /nfs/dbraw/zinc/67/47/98/944674798.db2.gz GJHSSIMTOFFVNW-UHFFFAOYSA-N 1 0 356.422 3.744 20 30 FHEDRO CCCCCCCC(=O)N[C@@]12CC[C@@]([NH2+]COCCOC)(C1)CCC2 ZINC001270133838 944720677 /nfs/dbraw/zinc/72/06/77/944720677.db2.gz AGQVRRFJPBKVPO-UXHICEINSA-N 1 0 354.535 3.519 20 30 FHEDRO CCCCCCCC(=O)N1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001270135044 944736016 /nfs/dbraw/zinc/73/60/16/944736016.db2.gz YKLZVNAMMHPWPU-NRFANRHFSA-N 1 0 351.579 3.613 20 30 FHEDRO C=CCN(CC=C)C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000506934355 944775353 /nfs/dbraw/zinc/77/53/53/944775353.db2.gz WSYHCVMVKUOMQZ-UHFFFAOYSA-N 1 0 363.299 3.619 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)c1ccc(F)c(F)c1 ZINC000664701995 944777037 /nfs/dbraw/zinc/77/70/37/944777037.db2.gz LFXMJOLKHNAFRG-CRAIPNDOSA-N 1 0 351.441 3.708 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)C12CCCCC2 ZINC000516376652 944778456 /nfs/dbraw/zinc/77/84/56/944778456.db2.gz KMRVSNQUCIXLRL-ATZDWAIDSA-N 1 0 355.482 3.603 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)C12CCCCC2 ZINC000516376655 944778608 /nfs/dbraw/zinc/77/86/08/944778608.db2.gz KMRVSNQUCIXLRL-ZYSHUDEJSA-N 1 0 355.482 3.603 20 30 FHEDRO N#Cc1nc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1Cl ZINC000518814675 944806618 /nfs/dbraw/zinc/80/66/18/944806618.db2.gz FOLWKFUKBNFLBN-QGZVFWFLSA-N 1 0 361.276 3.931 20 30 FHEDRO CCCCN(C(=O)CNc1cccc(C#N)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000426453737 944854613 /nfs/dbraw/zinc/85/46/13/944854613.db2.gz IYIJFESIBORZEN-UHFFFAOYSA-N 1 0 370.541 3.908 20 30 FHEDRO CCC(CC)(CNC(=O)N[C@@H]1CC[C@H](C#N)C1)[NH2+][C@H](C)c1ccccc1 ZINC000425672630 944877494 /nfs/dbraw/zinc/87/74/94/944877494.db2.gz LFRSNORZDLORKN-ZIFCJYIRSA-N 1 0 356.514 3.887 20 30 FHEDRO C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)[NH+]1CCCCCC1 ZINC000505917546 944888225 /nfs/dbraw/zinc/88/82/25/944888225.db2.gz RPVCFXUEHDUEMC-BBRMVZONSA-N 1 0 353.388 3.651 20 30 FHEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000507023775 944889985 /nfs/dbraw/zinc/88/99/85/944889985.db2.gz ZOQHEYUTZDNHGZ-FQEVSTJZSA-N 1 0 353.441 3.691 20 30 FHEDRO C=CCc1cc(C[N@H+](C)C[C@H]2OCCc3ccccc32)cc(OC)c1O ZINC000511669851 944896409 /nfs/dbraw/zinc/89/64/09/944896409.db2.gz DTZZYOJGWLTQNH-OAQYLSRUSA-N 1 0 353.462 3.875 20 30 FHEDRO N#Cc1cccnc1N1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000507068980 944911375 /nfs/dbraw/zinc/91/13/75/944911375.db2.gz XQOZBZQMJKCPFK-UHFFFAOYSA-N 1 0 368.484 3.907 20 30 FHEDRO CC(C)Oc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)[NH+](C)C)cc1 ZINC000516507637 944956343 /nfs/dbraw/zinc/95/63/43/944956343.db2.gz ZISFAJFYJVTFSU-HXUWFJFHSA-N 1 0 368.437 3.968 20 30 FHEDRO C=CCOc1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000518952664 944962872 /nfs/dbraw/zinc/96/28/72/944962872.db2.gz QWBBBZULMLVRFU-QFIPXVFZSA-N 1 0 355.453 3.818 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000425707835 944982209 /nfs/dbraw/zinc/98/22/09/944982209.db2.gz XWQOQRQLXKVOAY-PMXSJFBMSA-N 1 0 373.541 3.642 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(CC#N)cc1 ZINC000511744415 945005815 /nfs/dbraw/zinc/00/58/15/945005815.db2.gz PDRBAJAKQUPLPB-NRFANRHFSA-N 1 0 361.489 3.783 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC000507174219 945023570 /nfs/dbraw/zinc/02/35/70/945023570.db2.gz CBWIJYMQFQZHEA-QRWLVFNGSA-N 1 0 361.917 3.915 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2c(F)cccc2C#N)cc1 ZINC000506355712 945024024 /nfs/dbraw/zinc/02/40/24/945024024.db2.gz JGAANCOTLUGMHE-UHFFFAOYSA-N 1 0 369.440 3.599 20 30 FHEDRO C#Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)cn1 ZINC000728804411 945036938 /nfs/dbraw/zinc/03/69/38/945036938.db2.gz XUSUZQJEQKRZJL-IBGZPJMESA-N 1 0 355.869 3.529 20 30 FHEDRO C[C@@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000516586418 945038472 /nfs/dbraw/zinc/03/84/72/945038472.db2.gz XLGWNFGHNOQSGD-QGZVFWFLSA-N 1 0 360.465 3.733 20 30 FHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000516598793 945043220 /nfs/dbraw/zinc/04/32/20/945043220.db2.gz JBYIBJFQIXQECE-UHFFFAOYSA-N 1 0 368.308 3.935 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000426167268 945050395 /nfs/dbraw/zinc/05/03/95/945050395.db2.gz SGPLRHWGPAANMD-PBHICJAKSA-N 1 0 368.868 3.996 20 30 FHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C#N)cc2Cl)c1 ZINC000426161016 945052153 /nfs/dbraw/zinc/05/21/53/945052153.db2.gz LJUWICXSJZABAY-UHFFFAOYSA-N 1 0 356.857 3.985 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000507230550 945052107 /nfs/dbraw/zinc/05/21/07/945052107.db2.gz OJWKSBPLXBXWCZ-CABCVRRESA-N 1 0 368.506 3.878 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000518130922 945054929 /nfs/dbraw/zinc/05/49/29/945054929.db2.gz HFLDMKYTYKBRHV-VBKZILBWSA-N 1 0 364.449 3.779 20 30 FHEDRO C[C@@H]1C[C@@H](N2CC[C@@H]3SC(=O)C=C3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168047576 945370660 /nfs/dbraw/zinc/37/06/60/945370660.db2.gz QUKRMIKBSQRRHK-JSJNYSNDSA-N 1 0 356.535 3.702 20 30 FHEDRO N#CCc1ccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)cc1 ZINC000519399658 945377519 /nfs/dbraw/zinc/37/75/19/945377519.db2.gz ZYCNKBLBQSXTOV-UHFFFAOYSA-N 1 0 351.469 3.688 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000660673961 945378763 /nfs/dbraw/zinc/37/87/63/945378763.db2.gz BFYQFOIFIUHMEZ-WTGUMLROSA-N 1 0 365.562 3.558 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1C(C)C ZINC000330180997 945390544 /nfs/dbraw/zinc/39/05/44/945390544.db2.gz NRGAPMYNOSHSNW-AEFFLSMTSA-N 1 0 361.534 3.624 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccnc(-n3cccn3)c2)CC1 ZINC000507653936 945406465 /nfs/dbraw/zinc/40/64/65/945406465.db2.gz OYCKFLZXMABGJN-UHFFFAOYSA-N 1 0 357.461 3.761 20 30 FHEDRO O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330224058 945410425 /nfs/dbraw/zinc/41/04/25/945410425.db2.gz SQAHQCJZAJKUBY-SFHVURJKSA-N 1 0 370.493 3.853 20 30 FHEDRO CC[NH+]1CCC(CCNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)CC1 ZINC000330223603 945410897 /nfs/dbraw/zinc/41/08/97/945410897.db2.gz NDRXPDBPPJRWGS-AWEZNQCLSA-N 1 0 358.486 3.540 20 30 FHEDRO CCNC(=O)c1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507661447 945431461 /nfs/dbraw/zinc/43/14/61/945431461.db2.gz UMIAAHXZVMBHEF-UHFFFAOYSA-N 1 0 361.489 3.930 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)c2sc([C@H]3CCCOC3)nc2C)CC1 ZINC000330265250 945433108 /nfs/dbraw/zinc/43/31/08/945433108.db2.gz YZZBPSQOSPQWFS-AWEZNQCLSA-N 1 0 351.516 3.525 20 30 FHEDRO O=C(N[C@@H]1CCn2ccnc2C1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000330281310 945444289 /nfs/dbraw/zinc/44/42/89/945444289.db2.gz UKWSBIKETOFQQX-IYWMVGAKSA-N 1 0 364.493 3.770 20 30 FHEDRO N#CCCCOc1cccc(C[N@@H+]2CCOC[C@@H]2Cc2ccccc2)c1 ZINC000507690782 945454126 /nfs/dbraw/zinc/45/41/26/945454126.db2.gz ZJBXPABQXDHPNM-NRFANRHFSA-N 1 0 350.462 3.813 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415011595 945474140 /nfs/dbraw/zinc/47/41/40/945474140.db2.gz QUTHLIYAZVIPGP-DOTOQJQBSA-N 1 0 350.422 3.742 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000519507018 945508834 /nfs/dbraw/zinc/50/88/34/945508834.db2.gz IIAMNOMOEACAKS-PMACEKPBSA-N 1 0 357.542 3.795 20 30 FHEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000487452405 945539916 /nfs/dbraw/zinc/53/99/16/945539916.db2.gz PSARQYADYJLAHX-LEWJYISDSA-N 1 0 362.477 3.904 20 30 FHEDRO N#CC1(CCC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000281296617 945590580 /nfs/dbraw/zinc/59/05/80/945590580.db2.gz JQCGGCVZBOMXLE-ZWKOTPCHSA-N 1 0 366.864 3.999 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000330334329 945602913 /nfs/dbraw/zinc/60/29/13/945602913.db2.gz QMGCWVDPNXHOGM-WOJBJXKFSA-N 1 0 363.461 3.615 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487454418 945619936 /nfs/dbraw/zinc/61/99/36/945619936.db2.gz WHBMHCYKXNEJIZ-LSDHHAIUSA-N 1 0 370.415 3.873 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000661001772 945633847 /nfs/dbraw/zinc/63/38/47/945633847.db2.gz KGRVWJDPLBCOPA-SBHAEUEKSA-N 1 0 355.526 3.895 20 30 FHEDRO CC[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000281529971 945670810 /nfs/dbraw/zinc/67/08/10/945670810.db2.gz ZXKCXPPJERDONT-NRFANRHFSA-N 1 0 355.526 3.683 20 30 FHEDRO C=CCOc1cccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000443992483 945687276 /nfs/dbraw/zinc/68/72/76/945687276.db2.gz YWHRJQCJLBYJES-INIZCTEOSA-N 1 0 365.395 3.610 20 30 FHEDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000519735097 945699661 /nfs/dbraw/zinc/69/96/61/945699661.db2.gz OLFGMLGDBOFGFX-XZOQPEGZSA-N 1 0 361.489 3.517 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(C)c1 ZINC000027325448 945709060 /nfs/dbraw/zinc/70/90/60/945709060.db2.gz IXUXRDWYJNPWOQ-UHFFFAOYSA-O 1 0 363.453 3.889 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1ccccc1OC)[n+]1cccc(C)c1 ZINC000027324093 945709216 /nfs/dbraw/zinc/70/92/16/945709216.db2.gz FIIHNRBJOUJILC-UHFFFAOYSA-O 1 0 357.499 3.620 20 30 FHEDRO COc1cc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)ccc1OC(C)C ZINC000127068409 945709591 /nfs/dbraw/zinc/70/95/91/945709591.db2.gz ZNFNRUHQYONQOT-KXBFYZLASA-N 1 0 354.450 3.738 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)cc1Cl ZINC000444006351 945714141 /nfs/dbraw/zinc/71/41/41/945714141.db2.gz WYHJGKIXKQCODW-KRWDZBQOSA-N 1 0 374.916 3.705 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000110663362 945717317 /nfs/dbraw/zinc/71/73/17/945717317.db2.gz KWFKBJSBMWEVRK-GJZGRUSLSA-N 1 0 368.308 3.791 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000661115892 945739335 /nfs/dbraw/zinc/73/93/35/945739335.db2.gz VCASLYVVLHYXAN-PXNSSMCTSA-N 1 0 351.494 3.618 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000661115560 945739466 /nfs/dbraw/zinc/73/94/66/945739466.db2.gz DIQRQEKEKSYWNE-SJLPKXTDSA-N 1 0 367.497 3.752 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000661146998 945780198 /nfs/dbraw/zinc/78/01/98/945780198.db2.gz PNAARCKBSLSDEB-IBGZPJMESA-N 1 0 371.525 3.657 20 30 FHEDRO CC[C@@H](C#N)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000593419458 945827682 /nfs/dbraw/zinc/82/76/82/945827682.db2.gz VLEHQFKKQJKBHP-XJKSGUPXSA-N 1 0 355.404 3.754 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000111233799 945862372 /nfs/dbraw/zinc/86/23/72/945862372.db2.gz IKDGBLRABZUHHF-INIZCTEOSA-N 1 0 354.498 3.555 20 30 FHEDRO CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(C(=O)c3ccc(C#N)cc3)C2)C1 ZINC001271562164 945882981 /nfs/dbraw/zinc/88/29/81/945882981.db2.gz NXVDSZKHRWYYHA-GOSISDBHSA-N 1 0 353.510 3.923 20 30 FHEDRO N#Cc1cc2c(nc1N[C@H]1CCCN(Cc3c(F)cccc3F)C1)CCC2 ZINC000609513035 945885676 /nfs/dbraw/zinc/88/56/76/945885676.db2.gz ISPKJMRMEXNKPK-INIZCTEOSA-N 1 0 368.431 3.797 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000519923859 945901719 /nfs/dbraw/zinc/90/17/19/945901719.db2.gz SIOCXCBIXCVZAA-OALUTQOASA-N 1 0 370.541 3.846 20 30 FHEDRO COc1ccc(C)cc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000125414099 945943509 /nfs/dbraw/zinc/94/35/09/945943509.db2.gz GIAJVVVODFTOAP-UHFFFAOYSA-N 1 0 351.450 3.750 20 30 FHEDRO CC(C)(C)c1csc(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)n1 ZINC000262505072 945992800 /nfs/dbraw/zinc/99/28/00/945992800.db2.gz BDWIEZXSYTVAJZ-UHFFFAOYSA-N 1 0 374.510 3.571 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000661328349 946000422 /nfs/dbraw/zinc/00/04/22/946000422.db2.gz IYGJEEINEUDGGY-SFTDATJTSA-N 1 0 355.526 3.595 20 30 FHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cc1c(C)cc(C#N)cc1C ZINC001271405244 946001073 /nfs/dbraw/zinc/00/10/73/946001073.db2.gz UNKLSDOCDDGXMX-FYYLOGMGSA-N 1 0 373.500 3.861 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)CCC[NH2+]1 ZINC000662803891 946029159 /nfs/dbraw/zinc/02/91/59/946029159.db2.gz VLKJDACDQJHHQB-KRWDZBQOSA-N 1 0 373.280 3.655 20 30 FHEDRO C=CC[C@@H]1CCC[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000661379791 946053010 /nfs/dbraw/zinc/05/30/10/946053010.db2.gz AKGHAPMBHPJVRP-MRXNPFEDSA-N 1 0 355.507 3.861 20 30 FHEDRO CC1(C)[C@H](NC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)[C@@H]2CCCO[C@H]21 ZINC000262408448 946069077 /nfs/dbraw/zinc/06/90/77/946069077.db2.gz WYHKUEFAYCPXAQ-BFHYXJOUSA-N 1 0 357.376 3.515 20 30 FHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000520135904 946193241 /nfs/dbraw/zinc/19/32/41/946193241.db2.gz YHCMRSIRNVLVCB-JOCHJYFZSA-N 1 0 364.489 3.911 20 30 FHEDRO C=C[C@@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000662867825 946207480 /nfs/dbraw/zinc/20/74/80/946207480.db2.gz MHOUWOPATONBIX-HSQYWUDLSA-N 1 0 364.489 3.617 20 30 FHEDRO C=C[C@@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000662868060 946210394 /nfs/dbraw/zinc/21/03/94/946210394.db2.gz XDBFAAORUHAWFM-NDXORKPFSA-N 1 0 352.453 3.747 20 30 FHEDRO CC(C)C[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000520174017 946229160 /nfs/dbraw/zinc/22/91/60/946229160.db2.gz OFJYCNCQQZQJAA-UHFFFAOYSA-N 1 0 367.468 3.814 20 30 FHEDRO CS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000441136226 946260903 /nfs/dbraw/zinc/26/09/03/946260903.db2.gz VGKJKQYGOFPJQR-DHADLLTHSA-N 1 0 351.560 3.523 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103320384 946264677 /nfs/dbraw/zinc/26/46/77/946264677.db2.gz HQTQSCWHIVQSLY-UHFFFAOYSA-N 1 0 355.935 3.831 20 30 FHEDRO COc1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000520259069 946310870 /nfs/dbraw/zinc/31/08/70/946310870.db2.gz SWJNMOUJRIKFEZ-HNNXBMFYSA-N 1 0 353.466 3.715 20 30 FHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000520258244 946311914 /nfs/dbraw/zinc/31/19/14/946311914.db2.gz HNMXIJTYIZFIKX-AZUAARDMSA-N 1 0 371.573 3.898 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000043190685 946392883 /nfs/dbraw/zinc/39/28/83/946392883.db2.gz ANCFMFZQWFLACP-UHFFFAOYSA-N 1 0 356.514 3.744 20 30 FHEDRO CC1(C)[C@H](NC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@@H]2CCCO[C@@H]21 ZINC000262513118 946419432 /nfs/dbraw/zinc/41/94/32/946419432.db2.gz DWTTYYXAPUSCOH-MJBXVCDLSA-N 1 0 357.376 3.515 20 30 FHEDRO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Sc1ccccc1 ZINC000262514543 946443258 /nfs/dbraw/zinc/44/32/58/946443258.db2.gz FQTJOOLQBORTSY-CQSZACIVSA-N 1 0 357.479 3.755 20 30 FHEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823894136 946503742 /nfs/dbraw/zinc/50/37/42/946503742.db2.gz INVMOVFQOYIQIA-MGPUTAFESA-N 1 0 363.465 3.511 20 30 FHEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F ZINC000303262444 946535284 /nfs/dbraw/zinc/53/52/84/946535284.db2.gz PUNWQNWHHUDODX-LLVKDONJSA-N 1 0 367.419 3.711 20 30 FHEDRO COc1cc2c(cc1C[NH2+]Cc1cccc(OCCCC#N)c1)O[C@H](C)C2 ZINC000237293332 946551027 /nfs/dbraw/zinc/55/10/27/946551027.db2.gz JNFQBHMYKSTLGI-MRXNPFEDSA-N 1 0 366.461 3.991 20 30 FHEDRO C=CC[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)C(C)(C)C ZINC000661755937 946583580 /nfs/dbraw/zinc/58/35/80/946583580.db2.gz VUANMHNEBUMPIL-UHFFFAOYSA-N 1 0 352.862 3.726 20 30 FHEDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)NC(C)(C)C ZINC000066905484 946588634 /nfs/dbraw/zinc/58/86/34/946588634.db2.gz ASACNTXMUZCRLV-MRXNPFEDSA-N 1 0 365.477 3.530 20 30 FHEDRO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)C(C)(C)C ZINC000661759956 946598962 /nfs/dbraw/zinc/59/89/62/946598962.db2.gz MWMCOIUCXNIZHY-QGZVFWFLSA-N 1 0 360.498 3.654 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@]2(O)CCCc3ccccc32)c1 ZINC000066906320 946606168 /nfs/dbraw/zinc/60/61/68/946606168.db2.gz ONGIXQVHWARCIW-JOCHJYFZSA-N 1 0 350.462 3.683 20 30 FHEDRO N#Cc1ccc(C2(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)CC2)cc1 ZINC000186609575 946696113 /nfs/dbraw/zinc/69/61/13/946696113.db2.gz QUXFIYDHNYHLIV-FQEVSTJZSA-N 1 0 365.521 3.704 20 30 FHEDRO Cc1nccn1-c1ccc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)cc1F ZINC000303884006 946723563 /nfs/dbraw/zinc/72/35/63/946723563.db2.gz MNCPIZXTFWQOSH-UHFFFAOYSA-N 1 0 351.429 3.863 20 30 FHEDRO C[C@@H](NC(=[NH2+])NC[C@@](C)(O)c1ccsc1)c1ccc(Cl)cc1Cl ZINC000262528090 946729650 /nfs/dbraw/zinc/72/96/50/946729650.db2.gz MBDIYYMSQMKZMX-QLJPJBMISA-N 1 0 372.321 3.928 20 30 FHEDRO C=CCc1cc(CNC(=[NH2+])Nc2cccc(CC)c2)cc(OC)c1OC ZINC000303983623 946752535 /nfs/dbraw/zinc/75/25/35/946752535.db2.gz RHUKARSDROUMAV-UHFFFAOYSA-N 1 0 353.466 3.922 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CCCC1 ZINC000661861453 946775424 /nfs/dbraw/zinc/77/54/24/946775424.db2.gz AHABGGIVVTYUSR-MRXNPFEDSA-N 1 0 360.498 3.668 20 30 FHEDRO [NH2+]=C(NCCc1cnn(-c2ccccc2)c1)Nc1cccc2c1CCCC2 ZINC000304667344 946787552 /nfs/dbraw/zinc/78/75/52/946787552.db2.gz LCWDCYJZGORBCK-UHFFFAOYSA-N 1 0 359.477 3.720 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)CCCC1 ZINC000661865456 946791537 /nfs/dbraw/zinc/79/15/37/946791537.db2.gz PKQLRWPFFGJUPT-LJQANCHMSA-N 1 0 372.509 3.846 20 30 FHEDRO CCc1ccc(NC(=[NH2+])NCCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000304751294 946792792 /nfs/dbraw/zinc/79/27/92/946792792.db2.gz JEAJMFJWZNBQJC-UHFFFAOYSA-N 1 0 369.856 3.922 20 30 FHEDRO COc1cccc(NC(=[NH2+])NCc2ccnc(O[C@@H](C)CC(C)C)c2)c1 ZINC000304752675 946792769 /nfs/dbraw/zinc/79/27/69/946792769.db2.gz KKYRPCGYHZZPRE-HNNXBMFYSA-N 1 0 356.470 3.830 20 30 FHEDRO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)o2)CC1 ZINC000895010623 946859826 /nfs/dbraw/zinc/85/98/26/946859826.db2.gz TVVOTZZAGIGJIO-DOTOQJQBSA-N 1 0 373.497 3.620 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000473951503 946861420 /nfs/dbraw/zinc/86/14/20/946861420.db2.gz KSRYWRIBDUZJBP-GHTZIAJQSA-N 1 0 350.547 3.718 20 30 FHEDRO [NH2+]=C(NCCc1cc2ccccc2o1)Nc1ccc2c(c1)OCCCO2 ZINC000262546170 946864442 /nfs/dbraw/zinc/86/44/42/946864442.db2.gz VHVLWPRSHVRYNT-UHFFFAOYSA-N 1 0 351.406 3.563 20 30 FHEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CCOc2ccccc21 ZINC000262547334 946866312 /nfs/dbraw/zinc/86/63/12/946866312.db2.gz VZYFSJSDHNLQSI-CQSZACIVSA-N 1 0 363.383 3.676 20 30 FHEDRO C=CCOc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475322953 946897582 /nfs/dbraw/zinc/89/75/82/946897582.db2.gz VCKRZEVAYNQCCL-IBGZPJMESA-N 1 0 350.462 3.598 20 30 FHEDRO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](CC#N)c2ccccc2)c1 ZINC001126170975 946905729 /nfs/dbraw/zinc/90/57/29/946905729.db2.gz SVUXGQLNGORLDY-FQEVSTJZSA-N 1 0 351.450 3.653 20 30 FHEDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)c2ccc(F)cc2C1 ZINC000184513511 946924859 /nfs/dbraw/zinc/92/48/59/946924859.db2.gz PUJQNUJIBPXVPA-QKKBWIMNSA-N 1 0 351.425 3.841 20 30 FHEDRO N#C[C@H](c1ccccc1)N1CC[NH+](CC2([C@H]3CCCCO3)CCC2)CC1 ZINC001167785187 946927095 /nfs/dbraw/zinc/92/70/95/946927095.db2.gz RROCHDHJGHMQRR-NHCUHLMSSA-N 1 0 353.510 3.608 20 30 FHEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(C(=O)NCCC)c2)cc1 ZINC000113323269 946927579 /nfs/dbraw/zinc/92/75/79/946927579.db2.gz OVUIQOBFJTWCQY-UHFFFAOYSA-N 1 0 350.462 3.518 20 30 FHEDRO C[C@]1(C(N)=O)CCCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193121138 946938546 /nfs/dbraw/zinc/93/85/46/946938546.db2.gz XACHDGULKVCKKL-JOCHJYFZSA-N 1 0 361.489 3.616 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125604757 946953130 /nfs/dbraw/zinc/95/31/30/946953130.db2.gz UWDKHGLAXHZDDR-UHFFFAOYSA-N 1 0 361.511 3.762 20 30 FHEDRO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H](Cc3ccc(F)cc3)C1)CCC2 ZINC000328658692 946967938 /nfs/dbraw/zinc/96/79/38/946967938.db2.gz RMWNNZYRHVZMQH-MSOLQXFVSA-N 1 0 370.472 3.687 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCc3occc32)C1 ZINC000328661771 946971070 /nfs/dbraw/zinc/97/10/70/946971070.db2.gz ALAIQYKFJTXOGJ-HHXXYDBFSA-N 1 0 353.466 3.996 20 30 FHEDRO COc1c(Cl)cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000328674768 946976129 /nfs/dbraw/zinc/97/61/29/946976129.db2.gz KCNVTKOJNUTJKP-ZIAGYGMSSA-N 1 0 358.269 3.764 20 30 FHEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccnc(Sc3ccccn3)c2)CC[N@@H+]1C ZINC000328600483 946977776 /nfs/dbraw/zinc/97/77/76/946977776.db2.gz DATHHBZOILBBBG-GDBMZVCRSA-N 1 0 371.510 3.588 20 30 FHEDRO C[C@@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000328690694 946989095 /nfs/dbraw/zinc/98/90/95/946989095.db2.gz DNCLQNDSPLENRO-YLJYHZDGSA-N 1 0 371.525 3.774 20 30 FHEDRO Cc1cc(C)c(CCNC(=O)C[NH2+][C@H]2CCC(=O)NC23CCC3)c(C)c1 ZINC000328716658 947003282 /nfs/dbraw/zinc/00/32/82/947003282.db2.gz UDRLUZOZRQXQHZ-SFHVURJKSA-N 1 0 357.498 3.742 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc3nsnc32)C1 ZINC000328735877 947003709 /nfs/dbraw/zinc/00/37/09/947003709.db2.gz KURRKHNVSWSUMI-GFOFROLCSA-N 1 0 374.510 3.541 20 30 FHEDRO O=C(NCc1ccc(OC2CCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328741768 947006384 /nfs/dbraw/zinc/00/63/84/947006384.db2.gz MMIHQXNNHFEJKW-UXHICEINSA-N 1 0 357.498 3.638 20 30 FHEDRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1 ZINC000328747748 947007910 /nfs/dbraw/zinc/00/79/10/947007910.db2.gz BBHWJLZDCZIHBC-OXQOHEQNSA-N 1 0 369.509 3.879 20 30 FHEDRO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)sc1C ZINC000328753170 947011033 /nfs/dbraw/zinc/01/10/33/947011033.db2.gz SDQFDRCGWWJJEW-SDNTUTLCSA-N 1 0 365.543 3.863 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000328754197 947011142 /nfs/dbraw/zinc/01/11/42/947011142.db2.gz DRZPTOWACUUMLJ-KRWDZBQOSA-N 1 0 357.498 3.512 20 30 FHEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000328756252 947011972 /nfs/dbraw/zinc/01/19/72/947011972.db2.gz UCQVAKZHVSIESY-INIZCTEOSA-N 1 0 351.535 3.635 20 30 FHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CCCC12CCOCC2 ZINC000328766634 947018662 /nfs/dbraw/zinc/01/86/62/947018662.db2.gz AWKPEHQWOPWJRQ-IBGZPJMESA-N 1 0 373.541 3.750 20 30 FHEDRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000328770407 947019769 /nfs/dbraw/zinc/01/97/69/947019769.db2.gz RANSFVRWMJSLKV-CYBMUJFWSA-N 1 0 352.862 3.772 20 30 FHEDRO CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N[C@H](c3ccc(C)cc3)C3CC3)[C@@H]2C1 ZINC000328726272 947022711 /nfs/dbraw/zinc/02/27/11/947022711.db2.gz BVOFKGTVKXDKNI-XWSHUIEDSA-N 1 0 372.509 3.671 20 30 FHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC000328726762 947024610 /nfs/dbraw/zinc/02/46/10/947024610.db2.gz USKASBPDQPAMSO-GIVPXCGWSA-N 1 0 373.541 3.698 20 30 FHEDRO C[C@@H]1CN(Cc2cccc(NC(=O)c3ncoc3C3CC3)c2)C[C@H](C)O1 ZINC000328818968 947036095 /nfs/dbraw/zinc/03/60/95/947036095.db2.gz DSNFZQWTKRLBBF-OKILXGFUSA-N 1 0 355.438 3.798 20 30 FHEDRO COC(=O)[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444616534 947042214 /nfs/dbraw/zinc/04/22/14/947042214.db2.gz CMLKWLUEMNIMIC-IBGZPJMESA-N 1 0 362.473 3.771 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2CCC(F)CC2)c(OC)c1 ZINC000662001983 947045982 /nfs/dbraw/zinc/04/59/82/947045982.db2.gz CCRIDQXSBVWIDS-RXQRSOPUSA-N 1 0 365.489 3.670 20 30 FHEDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000328791453 947047586 /nfs/dbraw/zinc/04/75/86/947047586.db2.gz LZLPIGIPAAYKSB-LJQANCHMSA-N 1 0 357.498 3.635 20 30 FHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328846530 947063727 /nfs/dbraw/zinc/06/37/27/947063727.db2.gz QLXLTVPNRZBTQO-ZFWWWQNUSA-N 1 0 373.522 3.833 20 30 FHEDRO COc1ccccc1-c1noc(C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000328853134 947065649 /nfs/dbraw/zinc/06/56/49/947065649.db2.gz SLXNJUNXQODFCX-GOEBONIOSA-N 1 0 352.438 3.617 20 30 FHEDRO C=CCN1CC[C@H]([NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)C1=O ZINC000328857533 947068109 /nfs/dbraw/zinc/06/81/09/947068109.db2.gz YDRDBBOMJBMUIG-ROUUACIJSA-N 1 0 373.884 3.524 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C3CCOCC3)C2)c(C)c1 ZINC000328870954 947076733 /nfs/dbraw/zinc/07/67/33/947076733.db2.gz YDWDPRIJBGTVDC-SJLPKXTDSA-N 1 0 373.497 3.942 20 30 FHEDRO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000598618393 947081640 /nfs/dbraw/zinc/08/16/40/947081640.db2.gz WIXQWRDOKYPBSB-KRWDZBQOSA-N 1 0 365.315 3.962 20 30 FHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000328890353 947084621 /nfs/dbraw/zinc/08/46/21/947084621.db2.gz ROEBUQWGYDWDAI-AABGKKOBSA-N 1 0 371.525 3.817 20 30 FHEDRO COCCOc1ccccc1N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444672915 947096936 /nfs/dbraw/zinc/09/69/36/947096936.db2.gz IFINDGFSWUZHDF-UHFFFAOYSA-N 1 0 359.514 3.554 20 30 FHEDRO O=C(COc1ccc(Cl)c2cccnc12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328955035 947100667 /nfs/dbraw/zinc/10/06/67/947100667.db2.gz YREULJBPXMDLHJ-HZPDHXFCSA-N 1 0 359.857 3.850 20 30 FHEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000444678571 947102999 /nfs/dbraw/zinc/10/29/99/947102999.db2.gz ZHDGMVGJAYTLRD-GOSISDBHSA-N 1 0 363.505 3.502 20 30 FHEDRO CCC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000328916683 947107299 /nfs/dbraw/zinc/10/72/99/947107299.db2.gz APDQKIAOBKBPKM-HXUWFJFHSA-N 1 0 371.525 3.920 20 30 FHEDRO COc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(Br)c1 ZINC000330464629 947176667 /nfs/dbraw/zinc/17/66/67/947176667.db2.gz PJTMGPFPINQWDQ-LBPRGKRZSA-N 1 0 370.291 3.658 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000330462841 947176800 /nfs/dbraw/zinc/17/68/00/947176800.db2.gz TYNFCNKIULSVNH-SWLSCSKDSA-N 1 0 354.281 3.939 20 30 FHEDRO CCOc1ccc(F)c(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1F ZINC000330492698 947184107 /nfs/dbraw/zinc/18/41/07/947184107.db2.gz KRGXJKNPEZGCMJ-UHFFFAOYSA-N 1 0 355.429 3.810 20 30 FHEDRO CC(C)NC(=O)Nc1cccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000330517199 947188361 /nfs/dbraw/zinc/18/83/61/947188361.db2.gz XFHPJEPWUNDODH-UHFFFAOYSA-N 1 0 374.529 3.615 20 30 FHEDRO C=CC[C@H]1[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCCC1(C)C ZINC000444782445 947196024 /nfs/dbraw/zinc/19/60/24/947196024.db2.gz CGPFOTNBMMNTEI-GOSISDBHSA-N 1 0 373.453 3.960 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(F)c2C#N)cc1 ZINC000186398710 947199398 /nfs/dbraw/zinc/19/93/98/947199398.db2.gz MNHNCEWEEHNIOU-UHFFFAOYSA-N 1 0 355.413 3.670 20 30 FHEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC000444773974 947208293 /nfs/dbraw/zinc/20/82/93/947208293.db2.gz HBMITOJAEYEDNM-QGZVFWFLSA-N 1 0 361.442 3.609 20 30 FHEDRO C=CC[C@H]1[N@H+](C[C@H](O)COc2c(OC)cccc2OC)CCCC1(C)C ZINC000444776844 947212607 /nfs/dbraw/zinc/21/26/07/947212607.db2.gz CWKFSRWGTLAANJ-QFBILLFUSA-N 1 0 363.498 3.510 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2ccc(Br)o2)o1 ZINC000662078583 947213988 /nfs/dbraw/zinc/21/39/88/947213988.db2.gz IHEBGDKUFDMIFL-PHIMTYICSA-N 1 0 350.216 3.775 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2ncnc3ccc(Br)cc32)CC1 ZINC000301175914 947217911 /nfs/dbraw/zinc/21/79/11/947217911.db2.gz LXTWGUWIBQUUSJ-UHFFFAOYSA-N 1 0 361.287 3.845 20 30 FHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000523396740 947228093 /nfs/dbraw/zinc/22/80/93/947228093.db2.gz BIRZTMZYQQFXRP-NRFANRHFSA-N 1 0 362.477 3.714 20 30 FHEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CCCC1(C)C ZINC000444790481 947230587 /nfs/dbraw/zinc/23/05/87/947230587.db2.gz JCFZUCZFXROKHT-IBGZPJMESA-N 1 0 369.509 3.584 20 30 FHEDRO C=CCn1c(CC2CC2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000508509098 947245068 /nfs/dbraw/zinc/24/50/68/947245068.db2.gz MKCWRBMLCACTBU-FQEVSTJZSA-N 1 0 365.525 3.517 20 30 FHEDRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000523451384 947256183 /nfs/dbraw/zinc/25/61/83/947256183.db2.gz BJYIBVODOLFAJZ-MBSDFSHPSA-N 1 0 361.489 3.956 20 30 FHEDRO N#Cc1cc(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)ccc1F ZINC000121508734 947302123 /nfs/dbraw/zinc/30/21/23/947302123.db2.gz RSYVGROJWWSZQR-UHFFFAOYSA-N 1 0 352.335 3.819 20 30 FHEDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000330911259 947308648 /nfs/dbraw/zinc/30/86/48/947308648.db2.gz HGXWXYDDKPKRNO-HIFRSBDPSA-N 1 0 364.287 3.758 20 30 FHEDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)C1 ZINC000330930988 947322250 /nfs/dbraw/zinc/32/22/50/947322250.db2.gz ROERPAOROCQYEK-CXAGYDPISA-N 1 0 363.477 3.844 20 30 FHEDRO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000523543986 947357907 /nfs/dbraw/zinc/35/79/07/947357907.db2.gz LDAUBLNBHINYJE-JOCHJYFZSA-N 1 0 358.485 3.644 20 30 FHEDRO C=CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000523550869 947364925 /nfs/dbraw/zinc/36/49/25/947364925.db2.gz DZMXSYFXDYMKRA-LJQANCHMSA-N 1 0 372.509 3.800 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000523561004 947387980 /nfs/dbraw/zinc/38/79/80/947387980.db2.gz QZCKFCIWCXEGBG-UHFFFAOYSA-N 1 0 370.415 3.827 20 30 FHEDRO C=CCC1([NH2+]Cc2nc3oc(C)c(C(=O)OCC)c3c(N)n2)CCCCC1 ZINC000599609160 947391406 /nfs/dbraw/zinc/39/14/06/947391406.db2.gz HFXUXZMLAKRABV-UHFFFAOYSA-N 1 0 372.469 3.659 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440628017 947426869 /nfs/dbraw/zinc/42/68/69/947426869.db2.gz VAXZODOOHCIFQT-UYAOXDASSA-N 1 0 373.859 3.894 20 30 FHEDRO C[NH+](C)CC1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440639492 947455321 /nfs/dbraw/zinc/45/53/21/947455321.db2.gz LXXDIWXYMAYFKL-UHFFFAOYSA-N 1 0 373.298 3.647 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)ccc1C#N ZINC000440635220 947455327 /nfs/dbraw/zinc/45/53/27/947455327.db2.gz JUPFAHUAUWXMEW-UHFFFAOYSA-N 1 0 366.461 3.552 20 30 FHEDRO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000120340005 947544501 /nfs/dbraw/zinc/54/45/01/947544501.db2.gz SOKXCHRWJKKIDQ-PBHICJAKSA-N 1 0 360.299 3.774 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000425416220 947706567 /nfs/dbraw/zinc/70/65/67/947706567.db2.gz KUNLMKDVGXQMFV-SJORKVTESA-N 1 0 356.514 3.771 20 30 FHEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cc(Cl)cc2c1OCC2 ZINC000897338263 947738733 /nfs/dbraw/zinc/73/87/33/947738733.db2.gz MOUDRBSKQMSHIV-GFCCVEGCSA-N 1 0 352.825 3.645 20 30 FHEDRO [NH3+]C1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000662386953 947777552 /nfs/dbraw/zinc/77/75/52/947777552.db2.gz BUMGGLFUKBWJDW-UHFFFAOYSA-N 1 0 372.284 3.539 20 30 FHEDRO C#Cc1ccc(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)nc1 ZINC000728858209 947790898 /nfs/dbraw/zinc/79/08/98/947790898.db2.gz JBGNFZXEGKCVEH-UHFFFAOYSA-N 1 0 369.468 3.722 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662449469 947820607 /nfs/dbraw/zinc/82/06/07/947820607.db2.gz NPCUWHAKFCRNQZ-UHFFFAOYSA-N 1 0 365.886 3.685 20 30 FHEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000613896200 947857111 /nfs/dbraw/zinc/85/71/11/947857111.db2.gz WWASYCAHIVSTTJ-AWEZNQCLSA-N 1 0 352.438 3.851 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNc1nc(C2CCOCC2)ns1)C(C)C ZINC000663381842 947891432 /nfs/dbraw/zinc/89/14/32/947891432.db2.gz WVBZLRNQTYIHCE-MRXNPFEDSA-N 1 0 350.532 3.543 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)CCC[NH2+]1 ZINC000662537268 947900216 /nfs/dbraw/zinc/90/02/16/947900216.db2.gz ZIMBDTAFDNOROG-HTAPYJJXSA-N 1 0 369.509 3.646 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)CCC[NH2+]1 ZINC000662549486 947905484 /nfs/dbraw/zinc/90/54/84/947905484.db2.gz SCEJFIQBUWFUNU-OAQYLSRUSA-N 1 0 370.497 3.731 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000520478727 947906131 /nfs/dbraw/zinc/90/61/31/947906131.db2.gz JTUUXFOSBXWBLQ-OALUTQOASA-N 1 0 370.541 3.846 20 30 FHEDRO C=CCC[C@@H](C(=O)NC1CC[NH+](CCOC(C)C)CC1)c1ccccc1 ZINC000190072091 947916477 /nfs/dbraw/zinc/91/64/77/947916477.db2.gz ATCRCCVIRAQAHA-OAQYLSRUSA-N 1 0 358.526 3.742 20 30 FHEDRO C=C(C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000459032036 947925277 /nfs/dbraw/zinc/92/52/77/947925277.db2.gz WDDPLRUCAUTJQU-UHFFFAOYSA-N 1 0 357.420 3.745 20 30 FHEDRO Cc1ccc([C@@H](Cn2ccnc2)NC(=O)CCc2ccc(C#N)cc2)c(C)c1 ZINC000441484499 947930650 /nfs/dbraw/zinc/93/06/50/947930650.db2.gz AVEFLMLQAARXED-JOCHJYFZSA-N 1 0 372.472 3.862 20 30 FHEDRO C=CC[C@@]1(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)CCC[NH2+]1 ZINC000662675245 947976443 /nfs/dbraw/zinc/97/64/43/947976443.db2.gz MJBDQWBGWXQRDH-QFIPXVFZSA-N 1 0 365.477 3.805 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)CC1 ZINC000190419606 948087506 /nfs/dbraw/zinc/08/75/06/948087506.db2.gz XUOOPTFLWOMPLM-FQEVSTJZSA-N 1 0 359.470 3.746 20 30 FHEDRO COc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1OCc1cccnc1 ZINC000066971956 948110334 /nfs/dbraw/zinc/11/03/34/948110334.db2.gz NZTDFCDYNRPDBC-UHFFFAOYSA-N 1 0 359.429 3.831 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000280820720 948194991 /nfs/dbraw/zinc/19/49/91/948194991.db2.gz NGXMIYQWSDCBGI-CLCXKQKWSA-N 1 0 350.890 3.936 20 30 FHEDRO C=CCC[C@@H](NC(=O)NCC[N@@H+](C)CC)c1ccc(C(F)(F)F)cc1 ZINC000441515889 948201622 /nfs/dbraw/zinc/20/16/22/948201622.db2.gz SIZXZEWOBZOEGQ-MRXNPFEDSA-N 1 0 357.420 3.964 20 30 FHEDRO C=CCC(C)(C)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000432358771 948209032 /nfs/dbraw/zinc/20/90/32/948209032.db2.gz PRZVNUDYVWSWTF-UHFFFAOYSA-N 1 0 359.514 3.561 20 30 FHEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[C@H](C)COC ZINC000663583203 948251161 /nfs/dbraw/zinc/25/11/61/948251161.db2.gz REXHEXYIYDEVPR-RBUKOAKNSA-N 1 0 373.541 3.651 20 30 FHEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H](C)COC ZINC000663583791 948253379 /nfs/dbraw/zinc/25/33/79/948253379.db2.gz ZRBTTXKPOPZCHE-RTBURBONSA-N 1 0 373.541 3.651 20 30 FHEDRO COC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(C(F)(F)F)c1 ZINC000585766496 948276944 /nfs/dbraw/zinc/27/69/44/948276944.db2.gz JWLIBLWFRWHMKY-QGZVFWFLSA-N 1 0 374.366 3.702 20 30 FHEDRO Cc1cccc(C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C2CC2)c1 ZINC000585794441 948300539 /nfs/dbraw/zinc/30/05/39/948300539.db2.gz WAZPKICGZBVWOZ-JOCHJYFZSA-N 1 0 360.505 3.841 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000280823954 948353600 /nfs/dbraw/zinc/35/36/00/948353600.db2.gz NSFJAPNWAVIKLQ-MMOPVJDHSA-N 1 0 355.482 3.572 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)N2CCC(C#N)CC2)[NH+](CC)CC)cc1 ZINC000432422785 948383400 /nfs/dbraw/zinc/38/34/00/948383400.db2.gz GZWBLBJPDNJAKK-FQEVSTJZSA-N 1 0 356.514 3.577 20 30 FHEDRO C#CCOc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)cc1 ZINC000182054447 948436060 /nfs/dbraw/zinc/43/60/60/948436060.db2.gz VKTUKTIRCLQMCR-UHFFFAOYSA-N 1 0 363.505 3.841 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2ccc(C(C)C)cc2)CC1 ZINC000520693681 948596672 /nfs/dbraw/zinc/59/66/72/948596672.db2.gz LQGRDIWXQLQERL-UHFFFAOYSA-N 1 0 359.514 3.529 20 30 FHEDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)n(-c2ccc(C)cc2)n1 ZINC000574858813 948634922 /nfs/dbraw/zinc/63/49/22/948634922.db2.gz BRSDVEREIKOMRZ-KRWDZBQOSA-N 1 0 373.460 3.650 20 30 FHEDRO C=C(C)C[N@H+](CCC(=O)Nc1cccc(F)c1C)Cc1ccc(CO)o1 ZINC000512177031 948656606 /nfs/dbraw/zinc/65/66/06/948656606.db2.gz CEQWKBKBSGKUMO-UHFFFAOYSA-N 1 0 360.429 3.626 20 30 FHEDRO CCO[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C12CCC2 ZINC000182104597 948700645 /nfs/dbraw/zinc/70/06/45/948700645.db2.gz DCTDDHMHGIYUMQ-BTRQGYIVSA-N 1 0 355.482 3.581 20 30 FHEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000523975763 948752011 /nfs/dbraw/zinc/75/20/11/948752011.db2.gz QAJMZZPXWQBEPV-KRWDZBQOSA-N 1 0 360.498 3.531 20 30 FHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549639379 948759830 /nfs/dbraw/zinc/75/98/30/948759830.db2.gz KKYICYBTKGZVPJ-HXUWFJFHSA-N 1 0 371.573 3.899 20 30 FHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000537963971 948819332 /nfs/dbraw/zinc/81/93/32/948819332.db2.gz AWNDFQDTYKZBCS-LSDHHAIUSA-N 1 0 367.331 3.976 20 30 FHEDRO Cc1nccc(CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000328606743 527325191 /nfs/dbraw/zinc/32/51/91/527325191.db2.gz SSXOVMLKRKDUTN-WIYYLYMNSA-N 1 0 350.466 3.544 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000481369632 567822058 /nfs/dbraw/zinc/82/20/58/567822058.db2.gz CAUKPAKSSCRPAN-YJYMSZOUSA-N 1 0 357.841 3.516 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967598 567889491 /nfs/dbraw/zinc/88/94/91/567889491.db2.gz HHXPESBHEUWVRC-ZJUUUORDSA-N 1 0 355.269 3.821 20 30 FHEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCc1c2ccccc2[nH]c1C(F)(F)F ZINC000601967473 567889538 /nfs/dbraw/zinc/88/95/38/567889538.db2.gz JQFKRSKIHFUVMW-GFCCVEGCSA-N 1 0 353.388 3.620 20 30 FHEDRO C[N@@H+]1CC[C@@H](CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000602072821 567916332 /nfs/dbraw/zinc/91/63/32/567916332.db2.gz JVJVTLCEBXKLMN-SFHVURJKSA-N 1 0 363.461 3.612 20 30 FHEDRO CC[C@](C)(C#N)C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602177403 567942149 /nfs/dbraw/zinc/94/21/49/567942149.db2.gz ORQBAXAQROMQOM-OAQYLSRUSA-N 1 0 353.510 3.831 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(OC(F)F)cc1 ZINC000161758138 567966186 /nfs/dbraw/zinc/96/61/86/567966186.db2.gz BYQWBUCZMKRCSC-CQSZACIVSA-N 1 0 372.419 3.874 20 30 FHEDRO N#CC1CCC(Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC000602491586 567986238 /nfs/dbraw/zinc/98/62/38/567986238.db2.gz PIQOMCVMYDDQPH-UHFFFAOYSA-N 1 0 354.498 3.995 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000602515814 567986639 /nfs/dbraw/zinc/98/66/39/567986639.db2.gz ZDFDRVCLCMPUOI-CQSZACIVSA-N 1 0 356.388 3.816 20 30 FHEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000602519417 567986993 /nfs/dbraw/zinc/98/69/93/567986993.db2.gz XZUHGLNDCBSTHZ-MJGOQNOKSA-N 1 0 357.498 3.668 20 30 FHEDRO N#CC1CCC([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000602531253 567988387 /nfs/dbraw/zinc/98/83/87/567988387.db2.gz UXINJYLDJLLOJO-ISXOHVOVSA-N 1 0 362.315 3.947 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000602506979 567988809 /nfs/dbraw/zinc/98/88/09/567988809.db2.gz MGARZHNUFFTIHP-CQSZACIVSA-N 1 0 356.388 3.816 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000602562687 567991860 /nfs/dbraw/zinc/99/18/60/567991860.db2.gz XZWPUEZDYKDZME-INIZCTEOSA-N 1 0 358.482 3.830 20 30 FHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]C2CCC(C#N)CC2)c2ccccc2)c1 ZINC000602586970 567994485 /nfs/dbraw/zinc/99/44/85/567994485.db2.gz FJUPUOISCOKLBR-VFIGECHUSA-N 1 0 368.502 3.851 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000602591289 567994999 /nfs/dbraw/zinc/99/49/99/567994999.db2.gz YKQCOLPCQNUOKR-YWZLYKJASA-N 1 0 374.481 3.848 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000602565535 567995580 /nfs/dbraw/zinc/99/55/80/567995580.db2.gz RUSACCIUBMCLOM-SBHAEUEKSA-N 1 0 355.526 3.728 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000602565534 567995592 /nfs/dbraw/zinc/99/55/92/567995592.db2.gz RUSACCIUBMCLOM-DYXWJJEUSA-N 1 0 355.526 3.728 20 30 FHEDRO Cc1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c(OC[C@H]2CCOC2)c1 ZINC000602575913 567996706 /nfs/dbraw/zinc/99/67/06/567996706.db2.gz KDLOGUPEJAZMJS-MOPGFXCFSA-N 1 0 372.509 3.599 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000602652389 568005595 /nfs/dbraw/zinc/00/55/95/568005595.db2.gz XWJGGWUDCMIMOU-SFHVURJKSA-N 1 0 365.477 3.849 20 30 FHEDRO COc1cc2c(cc1OC)[C@H]([NH+]1CCC(C#N)(c3ccccn3)CC1)CC2 ZINC000602653313 568005625 /nfs/dbraw/zinc/00/56/25/568005625.db2.gz OSVFCZCPKJRIJL-GOSISDBHSA-N 1 0 363.461 3.643 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(F)c(F)cc1Br ZINC000602657495 568006568 /nfs/dbraw/zinc/00/65/68/568006568.db2.gz YHKYCCLFBSMXAR-NSHDSACASA-N 1 0 373.241 3.916 20 30 FHEDRO CSc1ccc([C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N(C)C)cc1 ZINC000602673492 568008597 /nfs/dbraw/zinc/00/85/97/568008597.db2.gz VDVRCHRZXJQKEI-APWZRJJASA-N 1 0 361.555 3.700 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000602718334 568014770 /nfs/dbraw/zinc/01/47/70/568014770.db2.gz VVSADPJBYAQPAX-GHTZIAJQSA-N 1 0 372.509 3.571 20 30 FHEDRO CC(C)C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000602693705 568015726 /nfs/dbraw/zinc/01/57/26/568015726.db2.gz IFRXGZQWDJKONS-DLBZAZTESA-N 1 0 352.519 3.679 20 30 FHEDRO Cc1ncc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)s1 ZINC000602956244 568029177 /nfs/dbraw/zinc/02/91/77/568029177.db2.gz NEWQUYALHNHOBN-HNNXBMFYSA-N 1 0 356.495 3.666 20 30 FHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000568471331 568041649 /nfs/dbraw/zinc/04/16/49/568041649.db2.gz LOZPUYVLNRZBRU-UHFFFAOYSA-N 1 0 360.417 3.836 20 30 FHEDRO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000605978339 568052097 /nfs/dbraw/zinc/05/20/97/568052097.db2.gz WZYQRDMQPCMXII-KRWDZBQOSA-N 1 0 369.431 3.887 20 30 FHEDRO CCc1[nH+]c2ccccc2c(N2CCN(c3cnccc3C#N)CC2)c1C ZINC000568581841 568064985 /nfs/dbraw/zinc/06/49/85/568064985.db2.gz QTYPFVRHLRFSEU-UHFFFAOYSA-N 1 0 357.461 3.699 20 30 FHEDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481647060 568080377 /nfs/dbraw/zinc/08/03/77/568080377.db2.gz ZKMZZBAGQDYCDO-OPAMFIHVSA-N 1 0 372.472 3.714 20 30 FHEDRO C=CC[N@H+](Cc1ccc(F)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000522775390 568128083 /nfs/dbraw/zinc/12/80/83/568128083.db2.gz RNCOZAOCGVVZFM-AWEZNQCLSA-N 1 0 355.392 3.690 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000481841875 568147645 /nfs/dbraw/zinc/14/76/45/568147645.db2.gz QLMNTMHIHBWAJV-FQEVSTJZSA-N 1 0 370.880 3.831 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890317 568177392 /nfs/dbraw/zinc/17/73/92/568177392.db2.gz ZATKGFOMIQVIEG-RADWXHQJSA-N 1 0 366.509 3.790 20 30 FHEDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181912529 568178413 /nfs/dbraw/zinc/17/84/13/568178413.db2.gz BRTLPNCCOZTFFX-FDDCHVKYSA-N 1 0 363.505 3.624 20 30 FHEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000603954695 568189199 /nfs/dbraw/zinc/18/91/99/568189199.db2.gz DDZDDWZWWKZWNL-SJORKVTESA-N 1 0 357.498 3.856 20 30 FHEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000603954690 568189206 /nfs/dbraw/zinc/18/92/06/568189206.db2.gz DDZDDWZWWKZWNL-DLBZAZTESA-N 1 0 357.498 3.856 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)C(=O)N1Cc2ccccc2C1 ZINC000481991008 568215922 /nfs/dbraw/zinc/21/59/22/568215922.db2.gz JZDDALJEVINZET-ZHRRBRCNSA-N 1 0 359.473 3.846 20 30 FHEDRO O=C(NCC#Cc1ccccc1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604164838 568220287 /nfs/dbraw/zinc/22/02/87/568220287.db2.gz PMRJUDNETVTAKH-QFIPXVFZSA-N 1 0 361.489 3.565 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c(Br)c1 ZINC000128749533 568247113 /nfs/dbraw/zinc/24/71/13/568247113.db2.gz GIBCQGFCGVTUGK-DLBZAZTESA-N 1 0 359.271 3.791 20 30 FHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000075926278 568262983 /nfs/dbraw/zinc/26/29/83/568262983.db2.gz DEICDPDDSJDGFN-KRWDZBQOSA-N 1 0 367.415 3.571 20 30 FHEDRO CN(C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C1CC[NH2+]CC1 ZINC000569083765 568273158 /nfs/dbraw/zinc/27/31/58/568273158.db2.gz UOMZTELJAVQVDL-UHFFFAOYSA-N 1 0 366.490 3.925 20 30 FHEDRO C=CCCO[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000303505704 568282987 /nfs/dbraw/zinc/28/29/87/568282987.db2.gz NTJIKASOWRCFIN-PBHICJAKSA-N 1 0 368.880 3.541 20 30 FHEDRO C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000303505712 568283025 /nfs/dbraw/zinc/28/30/25/568283025.db2.gz NTJIKASOWRCFIN-YOEHRIQHSA-N 1 0 368.880 3.541 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000482140114 568287975 /nfs/dbraw/zinc/28/79/75/568287975.db2.gz QQNNKMGHQOQDKB-IAOVAPTHSA-N 1 0 361.486 3.669 20 30 FHEDRO COc1ccc(C[NH2+]C[C@H](C)N2CCCC[C@@H]2C)cc1OCCCC#N ZINC000604512417 568306563 /nfs/dbraw/zinc/30/65/63/568306563.db2.gz IFGBOHWMLWWZBN-ROUUACIJSA-N 1 0 359.514 3.730 20 30 FHEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]2C ZINC000541990074 568310011 /nfs/dbraw/zinc/31/00/11/568310011.db2.gz MIOSHFZTGXUESL-HZPDHXFCSA-N 1 0 363.461 3.903 20 30 FHEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]2C ZINC000541990072 568315044 /nfs/dbraw/zinc/31/50/44/568315044.db2.gz MIOSHFZTGXUESL-CVEARBPZSA-N 1 0 363.461 3.903 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000044341680 568360493 /nfs/dbraw/zinc/36/04/93/568360493.db2.gz PCHYCIFLQBFYLG-QHCPKHFHSA-N 1 0 373.500 3.713 20 30 FHEDRO C[N@H+](CC#Cc1ccccc1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000365252445 568367986 /nfs/dbraw/zinc/36/79/86/568367986.db2.gz BCLYVSDYFNKXOD-UHFFFAOYSA-N 1 0 361.489 3.914 20 30 FHEDRO COc1cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000570484996 568488110 /nfs/dbraw/zinc/48/81/10/568488110.db2.gz OSGNWKPXLZNJIQ-QHCPKHFHSA-N 1 0 361.489 3.665 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570580345 568495320 /nfs/dbraw/zinc/49/53/20/568495320.db2.gz TUFBQQWCAQBBQE-LJQANCHMSA-N 1 0 363.461 3.806 20 30 FHEDRO C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(CC#N)c3)n2)C1 ZINC000049623915 568523231 /nfs/dbraw/zinc/52/32/31/568523231.db2.gz PXPXZOKLZWEPNZ-CQSZACIVSA-N 1 0 354.479 3.693 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000050108094 568726974 /nfs/dbraw/zinc/72/69/74/568726974.db2.gz LYPZZFCWWKDHIE-INIZCTEOSA-N 1 0 370.478 3.587 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000050108302 568727942 /nfs/dbraw/zinc/72/79/42/568727942.db2.gz DFHKQFOHYGCYTK-KRWDZBQOSA-N 1 0 368.437 3.509 20 30 FHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824261886 608387677 /nfs/dbraw/zinc/38/76/77/608387677.db2.gz STEQVLUMJCJNGR-UHFFFAOYSA-N 1 0 364.428 3.536 20 30 FHEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824537004 608543166 /nfs/dbraw/zinc/54/31/66/608543166.db2.gz CEYBDBBEMIXGFI-LYGRKUJNSA-N 1 0 372.476 3.921 20 30 FHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[NH+](CC(C)C)CC3)c12 ZINC001164660580 719340764 /nfs/dbraw/zinc/34/07/64/719340764.db2.gz IVNPUNOWAFJLMY-UHFFFAOYSA-N 1 0 360.864 3.985 20 30 FHEDRO CN(CC1CC[NH+](C)CC1)c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001165041235 721934409 /nfs/dbraw/zinc/93/44/09/721934409.db2.gz LXCMJWMQASIARD-UHFFFAOYSA-N 1 0 373.863 3.586 20 30 FHEDRO CC(C)(C)OC(=O)C1(Nc2cc(Cl)ccc2CC#N)CCC([NH3+])CC1 ZINC001167643468 936339934 /nfs/dbraw/zinc/33/99/34/936339934.db2.gz AAFOFHKSAYZOFO-UHFFFAOYSA-N 1 0 363.889 3.800 20 30 FHEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000583072761 937098122 /nfs/dbraw/zinc/09/81/22/937098122.db2.gz KOFKIURVDVMTQX-UHFFFAOYSA-N 1 0 355.413 3.528 20 30 FHEDRO CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000047958686 927111490 /nfs/dbraw/zinc/11/14/90/927111490.db2.gz ZFQYUJCZVWUMDW-LJQANCHMSA-N 1 0 358.869 3.668 20 30 FHEDRO COc1ccc2ccccc2c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430173461 927519927 /nfs/dbraw/zinc/51/99/27/927519927.db2.gz WIMHKMMQIVMAFY-SFHVURJKSA-N 1 0 359.429 3.768 20 30 FHEDRO CCCC[N@H+](C)CC1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186909637 927565895 /nfs/dbraw/zinc/56/58/95/927565895.db2.gz MPJBBBXSPROWHL-UHFFFAOYSA-N 1 0 353.510 3.560 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)ccc1OC ZINC000466899270 927783191 /nfs/dbraw/zinc/78/31/91/927783191.db2.gz IWKKLKKETKWGPE-HXUWFJFHSA-N 1 0 355.478 3.652 20 30 FHEDRO CC(C)[C@@H](C#N)N1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000610213172 928120127 /nfs/dbraw/zinc/12/01/27/928120127.db2.gz CIAMPHKZRWETKP-QGZVFWFLSA-N 1 0 356.297 3.538 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000610216137 928172564 /nfs/dbraw/zinc/17/25/64/928172564.db2.gz OMOKHDKXDTXIDS-UHFFFAOYSA-N 1 0 369.509 3.988 20 30 FHEDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC[C@@H]1c1ccccc1 ZINC000610216772 928213862 /nfs/dbraw/zinc/21/38/62/928213862.db2.gz RVCLGTYAICZVRF-AAIMPIBUSA-N 1 0 364.489 3.618 20 30 FHEDRO C[N@H+](CCCC1(C#N)CCOCC1)C1CCN(c2ccc(F)cc2)CC1 ZINC000375595914 928406535 /nfs/dbraw/zinc/40/65/35/928406535.db2.gz IPZYXAWIUPEALJ-UHFFFAOYSA-N 1 0 359.489 3.827 20 30 FHEDRO CC(C)CCC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccccc1 ZINC000254950786 928472106 /nfs/dbraw/zinc/47/21/06/928472106.db2.gz YCPYPJZICSBDHN-PNBGARPFSA-N 1 0 355.482 3.670 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1 ZINC000274806034 928600426 /nfs/dbraw/zinc/60/04/26/928600426.db2.gz SOKLISPBIKQKIL-HNNXBMFYSA-N 1 0 359.919 3.683 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000125011900 937276644 /nfs/dbraw/zinc/27/66/44/937276644.db2.gz VQOYKWNMXIBWNE-LZLYRXPVSA-N 1 0 372.538 3.886 20 30 FHEDRO N#Cc1cc(Cl)c(Cl)nc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167087148 928965499 /nfs/dbraw/zinc/96/54/99/928965499.db2.gz KTFDIHYKTICTGG-UHFFFAOYSA-N 1 0 361.207 3.989 20 30 FHEDRO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC001208920987 929007412 /nfs/dbraw/zinc/00/74/12/929007412.db2.gz VSANUTBBNGPGHO-APWZRJJASA-N 1 0 357.498 3.726 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 ZINC000155444610 937309974 /nfs/dbraw/zinc/30/99/74/937309974.db2.gz QPQLRBVKEZHAAY-UHFFFAOYSA-N 1 0 371.481 3.626 20 30 FHEDRO N#Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1F ZINC000547756081 929363168 /nfs/dbraw/zinc/36/31/68/929363168.db2.gz CHCQPPSTJCXAAA-UHFFFAOYSA-N 1 0 351.425 3.978 20 30 FHEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180138028 929392945 /nfs/dbraw/zinc/39/29/45/929392945.db2.gz GTZUCILDMGPRLX-INIZCTEOSA-N 1 0 360.461 3.727 20 30 FHEDRO COc1cc(C[N@H+](C)[C@H]2CCCOC2)ccc1OCc1cccc(C#N)c1 ZINC000510161432 929527405 /nfs/dbraw/zinc/52/74/05/929527405.db2.gz WQLDXDBAYDJZEP-FQEVSTJZSA-N 1 0 366.461 3.757 20 30 FHEDRO CC[C@H](CC#N)[NH2+]CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 ZINC000705615439 929615543 /nfs/dbraw/zinc/61/55/43/929615543.db2.gz GKYRRRKKSMDWIU-JOCHJYFZSA-N 1 0 363.505 3.740 20 30 FHEDRO CCc1ccc([C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000023674558 929691895 /nfs/dbraw/zinc/69/18/95/929691895.db2.gz NEHHWVAMLLLYOJ-RBBKRZOGSA-N 1 0 352.478 3.847 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000175789661 929818235 /nfs/dbraw/zinc/81/82/35/929818235.db2.gz AAMJCBUFHKIGMI-HXUWFJFHSA-N 1 0 362.477 3.995 20 30 FHEDRO C[C@H]1CCC[C@H](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000134083513 929905869 /nfs/dbraw/zinc/90/58/69/929905869.db2.gz FAWXNKLKZBRTIH-RXVVDRJESA-N 1 0 353.510 3.809 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@H]([S@@](=O)CC)C2)c(O)c1 ZINC000255138333 929925000 /nfs/dbraw/zinc/92/50/00/929925000.db2.gz DMODYGNBNOFCLO-NWBYYLKKSA-N 1 0 350.528 3.737 20 30 FHEDRO C[C@@H](NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000610324070 929944822 /nfs/dbraw/zinc/94/48/22/929944822.db2.gz LUYWCFNHIZIYTO-MRXNPFEDSA-N 1 0 366.465 3.771 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000123426983 930010152 /nfs/dbraw/zinc/01/01/52/930010152.db2.gz VYNKWVJGLCNBLP-GUYCJALGSA-N 1 0 364.367 3.668 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000610343320 930039222 /nfs/dbraw/zinc/03/92/22/930039222.db2.gz DGVXNLAVHZBERW-GTUFVVEASA-N 1 0 351.494 3.682 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1nc2ccccc2s1 ZINC000610343980 930042290 /nfs/dbraw/zinc/04/22/90/930042290.db2.gz XQTJFRXXPWCVTO-STQMWFEESA-N 1 0 350.447 3.846 20 30 FHEDRO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000610345551 930050857 /nfs/dbraw/zinc/05/08/57/930050857.db2.gz VAQCNXFUTJXPDA-KRWDZBQOSA-N 1 0 362.477 3.714 20 30 FHEDRO C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000610348347 930059567 /nfs/dbraw/zinc/05/95/67/930059567.db2.gz HBIJMZPCOYBKKM-KZNAEPCWSA-N 1 0 356.514 3.677 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000610350349 930085855 /nfs/dbraw/zinc/08/58/55/930085855.db2.gz SNXUICCFMQYHPA-UZLBHIALSA-N 1 0 350.466 3.530 20 30 FHEDRO C[C@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000610351883 930090586 /nfs/dbraw/zinc/09/05/86/930090586.db2.gz NEMHXCKHRBXQGU-MSOLQXFVSA-N 1 0 362.477 3.535 20 30 FHEDRO C[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000580045015 930173850 /nfs/dbraw/zinc/17/38/50/930173850.db2.gz MDPDNXSOJAQNBZ-URZJWIJPSA-N 1 0 374.488 3.632 20 30 FHEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610370746 930175220 /nfs/dbraw/zinc/17/52/20/930175220.db2.gz CBESFEZNEZLRKO-RADWXHQJSA-N 1 0 368.452 3.715 20 30 FHEDRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1ccc(C#N)cc1 ZINC000583377588 937393130 /nfs/dbraw/zinc/39/31/30/937393130.db2.gz NVDUKUUQXXIIRR-BULFRSBZSA-N 1 0 374.488 3.535 20 30 FHEDRO CC1(C)Cc2occc2[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000161687844 937396121 /nfs/dbraw/zinc/39/61/21/937396121.db2.gz IZBMVHJEINFNLC-GOSISDBHSA-N 1 0 350.466 3.818 20 30 FHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)C[C@H]1[NH+]1CCCC1 ZINC000579468214 930322327 /nfs/dbraw/zinc/32/23/27/930322327.db2.gz XEFKFGSOWRIGQX-SJORKVTESA-N 1 0 372.925 3.776 20 30 FHEDRO CC1CCN(C(=O)C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000156237217 937408359 /nfs/dbraw/zinc/40/83/59/937408359.db2.gz VVZNRASDNXZSRQ-UHFFFAOYSA-N 1 0 358.913 3.662 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(CC)cc3)cs2)CC1 ZINC000050026513 930359860 /nfs/dbraw/zinc/35/98/60/930359860.db2.gz MGSHIJGAFVAJER-UHFFFAOYSA-N 1 0 353.491 3.656 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)C(C)C ZINC000610400753 930372505 /nfs/dbraw/zinc/37/25/05/930372505.db2.gz QJMKEZPUKGBGFJ-XLIONFOSSA-N 1 0 354.498 3.617 20 30 FHEDRO N#Cc1cccc(OCCC[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000177740722 930413453 /nfs/dbraw/zinc/41/34/53/930413453.db2.gz AZXCZLCNFQMELC-UHFFFAOYSA-N 1 0 354.425 3.762 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](Cc3cnc4ccccn34)CC2)cc1Cl ZINC001203155035 930488821 /nfs/dbraw/zinc/48/88/21/930488821.db2.gz KSSYAVZYWHRQTD-UHFFFAOYSA-N 1 0 366.852 3.903 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CC[C@H](c3ccccc3)O2)cc1Cl ZINC000262293221 937422901 /nfs/dbraw/zinc/42/29/01/937422901.db2.gz OERKNMQGHPDTIH-NVXWUHKLSA-N 1 0 359.857 3.996 20 30 FHEDRO C[C@@H]1C[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000379681127 930530103 /nfs/dbraw/zinc/53/01/03/930530103.db2.gz PFPDYNSWICXLEA-BEFAXECRSA-N 1 0 350.422 3.931 20 30 FHEDRO C[C@H]1C[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379677383 930530496 /nfs/dbraw/zinc/53/04/96/930530496.db2.gz CKDLFZFXSACPLA-MAUKXSAKSA-N 1 0 350.422 3.931 20 30 FHEDRO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)OCC)cc1)CC1CCCCC1 ZINC001167386978 930590606 /nfs/dbraw/zinc/59/06/06/930590606.db2.gz MLNUXVJXICZGMQ-UHFFFAOYSA-N 1 0 358.482 3.870 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000580679701 931006873 /nfs/dbraw/zinc/00/68/73/931006873.db2.gz KWKPWSUIOQGEGR-OAHLLOKOSA-N 1 0 366.358 3.657 20 30 FHEDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610454172 931045379 /nfs/dbraw/zinc/04/53/79/931045379.db2.gz BLYPGVYDZIBUJP-UHFFFAOYSA-N 1 0 367.453 3.599 20 30 FHEDRO C[C@@H](C#N)C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000510342286 931091960 /nfs/dbraw/zinc/09/19/60/931091960.db2.gz NJHWJIGFFWCUHY-AWEZNQCLSA-N 1 0 373.909 3.872 20 30 FHEDRO C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000610461762 931152209 /nfs/dbraw/zinc/15/22/09/931152209.db2.gz GUHHRXGFRDLEQQ-LIRRHRJNSA-N 1 0 370.884 3.875 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000068884418 931169339 /nfs/dbraw/zinc/16/93/39/931169339.db2.gz WCSIPVUNNCTLOZ-OALUTQOASA-N 1 0 368.525 3.624 20 30 FHEDRO C=CCC1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CCOCC1 ZINC000580828155 931237231 /nfs/dbraw/zinc/23/72/31/931237231.db2.gz IUJDMCZAQMHOND-UHFFFAOYSA-N 1 0 353.466 3.957 20 30 FHEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000610466523 931286573 /nfs/dbraw/zinc/28/65/73/931286573.db2.gz MZERUVPGJXWRFB-UHFFFAOYSA-N 1 0 369.852 3.850 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1Cn1cccn1 ZINC000177860380 931380651 /nfs/dbraw/zinc/38/06/51/931380651.db2.gz ISMAMKUOVCAWEV-OAHLLOKOSA-N 1 0 364.424 3.802 20 30 FHEDRO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000126130876 931422781 /nfs/dbraw/zinc/42/27/81/931422781.db2.gz DYBDKRONPPRHQE-YADHBBJMSA-N 1 0 361.420 3.847 20 30 FHEDRO CCCOc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cn1 ZINC000160727551 931465305 /nfs/dbraw/zinc/46/53/05/931465305.db2.gz HNVAXTGLMKIYAM-UHFFFAOYSA-N 1 0 368.359 3.696 20 30 FHEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000581035503 931481222 /nfs/dbraw/zinc/48/12/22/931481222.db2.gz UOBISWNBSOXUPK-FQEVSTJZSA-N 1 0 351.450 3.979 20 30 FHEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ncc(Br)cc1F ZINC000187355289 931547361 /nfs/dbraw/zinc/54/73/61/931547361.db2.gz YTMSSTDPILZXQA-LLVKDONJSA-N 1 0 364.218 3.584 20 30 FHEDRO N#Cc1nnc2ccccc2c1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077215092 931584605 /nfs/dbraw/zinc/58/46/05/931584605.db2.gz SWFUUQHJFGQAST-UHFFFAOYSA-N 1 0 371.488 3.646 20 30 FHEDRO CC1(C)CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000177938448 931629725 /nfs/dbraw/zinc/62/97/25/931629725.db2.gz CEBIQZNBEUTJPG-UHFFFAOYSA-N 1 0 351.475 3.533 20 30 FHEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccc(OC)cc1Br)C(C)C ZINC000569293893 931633441 /nfs/dbraw/zinc/63/34/41/931633441.db2.gz ZWRHLDRKYPCJOH-SUMWQHHRSA-N 1 0 356.304 3.929 20 30 FHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1)c1ccccc1 ZINC000933125304 931756089 /nfs/dbraw/zinc/75/60/89/931756089.db2.gz KIOYDEKZWJVNIJ-RXVVDRJESA-N 1 0 367.518 3.757 20 30 FHEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1)c1ccccc1 ZINC000933125303 931756205 /nfs/dbraw/zinc/75/62/05/931756205.db2.gz KIOYDEKZWJVNIJ-NQIIRXRSSA-N 1 0 367.518 3.757 20 30 FHEDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)c(OC)c1 ZINC000160836665 931777948 /nfs/dbraw/zinc/77/79/48/931777948.db2.gz HSUJGETWCSQUSP-UHFFFAOYSA-N 1 0 353.466 3.686 20 30 FHEDRO CCCCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C1(C)C ZINC000477062343 931792752 /nfs/dbraw/zinc/79/27/52/931792752.db2.gz XHBSFMIGKXGXRH-JKSUJKDBSA-N 1 0 363.527 3.864 20 30 FHEDRO C=CCCN(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276182852 932015239 /nfs/dbraw/zinc/01/52/39/932015239.db2.gz VTGLJAMUGMZLMR-YOEHRIQHSA-N 1 0 353.869 3.689 20 30 FHEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1C#N ZINC000135179897 932037611 /nfs/dbraw/zinc/03/76/11/932037611.db2.gz DYXWDCCKZHNAKN-UHFFFAOYSA-N 1 0 367.424 3.557 20 30 FHEDRO CC[N@H+](CCCSCC#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000072513507 932152162 /nfs/dbraw/zinc/15/21/62/932152162.db2.gz IVQKBNUEMMZYDH-UHFFFAOYSA-N 1 0 360.310 3.901 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000581530927 932215540 /nfs/dbraw/zinc/21/55/40/932215540.db2.gz AONSAETYIOQGFW-LQWHRVPQSA-N 1 0 368.525 3.800 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C#N ZINC000157897810 932499217 /nfs/dbraw/zinc/49/92/17/932499217.db2.gz AUPXWFKXDHOQBA-UHFFFAOYSA-N 1 0 358.486 3.776 20 30 FHEDRO N#Cc1ccccc1OCC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000477538164 932680044 /nfs/dbraw/zinc/68/00/44/932680044.db2.gz QGYVPUNXERCEEM-UHFFFAOYSA-N 1 0 357.251 3.978 20 30 FHEDRO CCOC(=O)Nc1ccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1C#N ZINC000161032936 932706795 /nfs/dbraw/zinc/70/67/95/932706795.db2.gz NPLUUIOYWAXXAX-GOSISDBHSA-N 1 0 372.469 3.576 20 30 FHEDRO C/C(=C\c1ccc(F)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000176033011 932844811 /nfs/dbraw/zinc/84/48/11/932844811.db2.gz GLKTWJZGMPPMIQ-SAPNQHFASA-N 1 0 365.452 3.691 20 30 FHEDRO CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000135320217 932849950 /nfs/dbraw/zinc/84/99/50/932849950.db2.gz BWULZRWKIBJXQR-GOSISDBHSA-N 1 0 365.481 3.583 20 30 FHEDRO Cc1cccc(OC[C@@H](O)C[N@@H+](CCc2ccc(C#N)cc2)C(C)C)c1 ZINC001167488248 932901530 /nfs/dbraw/zinc/90/15/30/932901530.db2.gz XWFLGKZFJNPZIA-NRFANRHFSA-N 1 0 352.478 3.560 20 30 FHEDRO CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)[NH+](C)C ZINC000413417573 932933312 /nfs/dbraw/zinc/93/33/12/932933312.db2.gz KNMIDSCNAGXACK-IBGZPJMESA-N 1 0 353.441 3.879 20 30 FHEDRO N#Cc1cccc(OCCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000178297628 933070642 /nfs/dbraw/zinc/07/06/42/933070642.db2.gz UEOJKFGTPXFFDQ-BJMVGYQFSA-N 1 0 361.489 3.658 20 30 FHEDRO CC(C)[C@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000510596028 933256747 /nfs/dbraw/zinc/25/67/47/933256747.db2.gz IRLOEJPOVMFZSV-LEWJYISDSA-N 1 0 370.541 3.846 20 30 FHEDRO N#Cc1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(OC(F)F)c1 ZINC000610613501 933523080 /nfs/dbraw/zinc/52/30/80/933523080.db2.gz OOCRNYLPXCEZSQ-HDICACEKSA-N 1 0 369.415 3.728 20 30 FHEDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000510722228 933523142 /nfs/dbraw/zinc/52/31/42/933523142.db2.gz VUPGRLMXENTWMW-MAUKXSAKSA-N 1 0 353.441 3.593 20 30 FHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(F)c(C#N)c1 ZINC000548415610 933556295 /nfs/dbraw/zinc/55/62/95/933556295.db2.gz STDWPMIAXNFETF-HOTGVXAUSA-N 1 0 365.452 3.584 20 30 FHEDRO C[NH+](C)CCc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 ZINC000510828038 933821439 /nfs/dbraw/zinc/82/14/39/933821439.db2.gz SRJAMDIWRJLYOB-UHFFFAOYSA-N 1 0 353.441 3.718 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000510871157 933909557 /nfs/dbraw/zinc/90/95/57/933909557.db2.gz BVGUGNMDSJLAMV-UHFFFAOYSA-N 1 0 360.502 3.789 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000187663595 934031375 /nfs/dbraw/zinc/03/13/75/934031375.db2.gz MKMFLUMBIARSKE-MRXNPFEDSA-N 1 0 367.518 3.752 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000187665747 934132623 /nfs/dbraw/zinc/13/26/23/934132623.db2.gz FVWJIWHBEHWBDF-LIRRHRJNSA-N 1 0 352.413 3.654 20 30 FHEDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610783290 934181247 /nfs/dbraw/zinc/18/12/47/934181247.db2.gz BLYGJTSDSSIHBE-NFBKMPQASA-N 1 0 364.489 3.748 20 30 FHEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000559387401 934182432 /nfs/dbraw/zinc/18/24/32/934182432.db2.gz PFXVFBJDPHHYSZ-FQEVSTJZSA-N 1 0 374.916 3.543 20 30 FHEDRO N#CC1(F)CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000510934815 934191035 /nfs/dbraw/zinc/19/10/35/934191035.db2.gz RQFILQWCXXTOSZ-IBGZPJMESA-N 1 0 371.481 3.671 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176137791 934300977 /nfs/dbraw/zinc/30/09/77/934300977.db2.gz UNSCXLCISKASPN-AVRDEDQJSA-N 1 0 361.489 3.660 20 30 FHEDRO C[N@H+](CCNC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000458133867 934324350 /nfs/dbraw/zinc/32/43/50/934324350.db2.gz UNWILLXCSQGVAP-FQEVSTJZSA-N 1 0 356.514 3.985 20 30 FHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000277063677 934477059 /nfs/dbraw/zinc/47/70/59/934477059.db2.gz IFVCLFFRCZSJHT-MRXNPFEDSA-N 1 0 372.900 3.928 20 30 FHEDRO COCCCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000065165540 934509127 /nfs/dbraw/zinc/50/91/27/934509127.db2.gz MTSFMKQWHVAAQO-UHFFFAOYSA-N 1 0 371.525 3.600 20 30 FHEDRO C/C(=C\c1ccc(F)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000176246105 934565910 /nfs/dbraw/zinc/56/59/10/934565910.db2.gz RWBRZQCTDSSCNH-GHRIWEEISA-N 1 0 365.452 3.691 20 30 FHEDRO COc1ccc(C#N)cc1CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610967035 934662728 /nfs/dbraw/zinc/66/27/28/934662728.db2.gz OTGCCZKXTCROET-TXEJJXNPSA-N 1 0 352.278 3.739 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000610967360 934663629 /nfs/dbraw/zinc/66/36/29/934663629.db2.gz DSHJXWGMKRTFSE-NFBKMPQASA-N 1 0 362.473 3.644 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)C1CC1 ZINC000548504296 934663683 /nfs/dbraw/zinc/66/36/83/934663683.db2.gz JQOZAHYIPWYJJQ-HXUWFJFHSA-N 1 0 367.880 3.852 20 30 FHEDRO Cc1cccc(C2([NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)CCCC2)c1 ZINC000610987436 934693067 /nfs/dbraw/zinc/69/30/67/934693067.db2.gz QVGDAUAEBOWJSQ-OAQYLSRUSA-N 1 0 364.489 3.860 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458365802 934785310 /nfs/dbraw/zinc/78/53/10/934785310.db2.gz BWFKIAIFQBCNJQ-UHFFFAOYSA-N 1 0 373.522 3.586 20 30 FHEDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000538224367 934810537 /nfs/dbraw/zinc/81/05/37/934810537.db2.gz XWQSOTXUTXZLOV-JXFKEZNVSA-N 1 0 374.431 3.953 20 30 FHEDRO C=CCC[C@H](CC)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 ZINC000132363778 934853261 /nfs/dbraw/zinc/85/32/61/934853261.db2.gz JSSXNJSTCSJCIL-INIZCTEOSA-N 1 0 363.477 3.643 20 30 FHEDRO CCSc1cccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000472079013 934960922 /nfs/dbraw/zinc/96/09/22/934960922.db2.gz RITAUKGKXCIQLP-FQEVSTJZSA-N 1 0 365.502 3.955 20 30 FHEDRO C#CCOCC[N@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC001167512424 935063264 /nfs/dbraw/zinc/06/32/64/935063264.db2.gz MSNURJQTJDHVKM-OAQYLSRUSA-N 1 0 351.446 3.671 20 30 FHEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507246300 945079636 /nfs/dbraw/zinc/07/96/36/945079636.db2.gz DSJXVBMWCSOQHR-IRLDBZIGSA-N 1 0 370.537 3.634 20 30 FHEDRO Cc1ccccc1C1CC([N@H+](C[C@@H]2CNc3c(C#N)cnn3C2)C2CC2)C1 ZINC000582063493 935196478 /nfs/dbraw/zinc/19/64/78/935196478.db2.gz PBKXGFDEYJXFNT-VXESANQCSA-N 1 0 361.493 3.516 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCSC3(CCC3)CC2)cc1Cl ZINC000563239116 935216130 /nfs/dbraw/zinc/21/61/30/935216130.db2.gz MYZSKBZNENEDDZ-UHFFFAOYSA-N 1 0 363.914 3.902 20 30 FHEDRO CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000582074909 935221709 /nfs/dbraw/zinc/22/17/09/935221709.db2.gz ZERWPTAFUVPJJR-OAHLLOKOSA-N 1 0 353.491 3.589 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[C@H]1n1cccn1 ZINC000551317538 935253354 /nfs/dbraw/zinc/25/33/54/935253354.db2.gz MWYLDGWZIWZUJM-PLACYPQZSA-N 1 0 350.466 3.531 20 30 FHEDRO CC[N@H+](C)[C@@H](C(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000551347344 935260768 /nfs/dbraw/zinc/26/07/68/935260768.db2.gz TXWXKBGXFNGTDV-HXUWFJFHSA-N 1 0 367.518 3.601 20 30 FHEDRO C=CCCn1cc(CNCc2ccccc2C[NH+]2CCCCCC2)nn1 ZINC000657360213 935348762 /nfs/dbraw/zinc/34/87/62/935348762.db2.gz YZSZEJHQFULJTK-UHFFFAOYSA-N 1 0 353.514 3.520 20 30 FHEDRO CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C(=O)Nc1nccs1 ZINC000540705920 935536900 /nfs/dbraw/zinc/53/69/00/935536900.db2.gz SZONJVHMOULYCR-LRDDRELGSA-N 1 0 360.458 3.858 20 30 FHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ncc(Br)s1 ZINC000543849148 935588549 /nfs/dbraw/zinc/58/85/49/935588549.db2.gz NHVYVLDDBHWQMF-UHFFFAOYSA-N 1 0 368.325 3.800 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC=C(c3ccco3)C2)c(OC)c1 ZINC000511108830 935606683 /nfs/dbraw/zinc/60/66/83/935606683.db2.gz QPMSCLXIYOQYOP-IBGZPJMESA-N 1 0 369.461 3.546 20 30 FHEDRO C[C@@H]1C[NH+](CCCCNc2cccc(Br)c2C#N)C[C@@H](C)O1 ZINC000439965811 945115541 /nfs/dbraw/zinc/11/55/41/945115541.db2.gz HKDZUCSRLFOQAY-ZIAGYGMSSA-N 1 0 366.303 3.622 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563355293 935703690 /nfs/dbraw/zinc/70/36/90/935703690.db2.gz JWOASIYREVJDMS-IBGZPJMESA-N 1 0 357.498 3.524 20 30 FHEDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113335936 935816733 /nfs/dbraw/zinc/81/67/33/935816733.db2.gz OSEXLZVYCPPKET-KRWDZBQOSA-N 1 0 360.461 3.890 20 30 FHEDRO COc1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1OCCCC#N ZINC000277697751 935830609 /nfs/dbraw/zinc/83/06/09/935830609.db2.gz LCFQOEJLTCAQLF-UHFFFAOYSA-N 1 0 365.477 3.941 20 30 FHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)sc2C1 ZINC000519105665 945128549 /nfs/dbraw/zinc/12/85/49/945128549.db2.gz OYRYUCXMSIWZCY-LNCBFAARSA-N 1 0 357.523 3.851 20 30 FHEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000091318597 935855432 /nfs/dbraw/zinc/85/54/32/935855432.db2.gz HYFYXGGJBVXAPO-OAHLLOKOSA-N 1 0 354.885 3.796 20 30 FHEDRO CCCC[NH+]1CCC(NC(=O)N(CCC)Cc2ccc(C#N)cc2)CC1 ZINC000158674366 935898603 /nfs/dbraw/zinc/89/86/03/935898603.db2.gz GHAGOLGYEVXTCL-UHFFFAOYSA-N 1 0 356.514 3.744 20 30 FHEDRO C[NH+]=C(NCC1(SC)CCOCC1)N[C@@H](C)c1cc2ccccc2o1 ZINC000075077649 936000013 /nfs/dbraw/zinc/00/00/13/936000013.db2.gz PZPUUUJULODGAA-AWEZNQCLSA-N 1 0 361.511 3.571 20 30 FHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000075925936 936017477 /nfs/dbraw/zinc/01/74/77/936017477.db2.gz XVXJEFJFOQHDDE-QGZVFWFLSA-N 1 0 367.415 3.571 20 30 FHEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1OC ZINC000075758087 936019042 /nfs/dbraw/zinc/01/90/42/936019042.db2.gz SMCUPCOWUYQFMR-UHFFFAOYSA-N 1 0 363.461 3.795 20 30 FHEDRO N#Cc1cc2c(nc1NC(=O)[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCCC2 ZINC000121866021 936024396 /nfs/dbraw/zinc/02/43/96/936024396.db2.gz PUZUNFDVNOFYHF-LJQANCHMSA-N 1 0 374.488 3.683 20 30 FHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cc(C#N)cs3)cc2)CC1 ZINC000438251547 945140598 /nfs/dbraw/zinc/14/05/98/945140598.db2.gz AXHMKIBUEKZJLD-UHFFFAOYSA-N 1 0 353.491 3.782 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000077840411 936058364 /nfs/dbraw/zinc/05/83/64/936058364.db2.gz BXJUFYQBZDLRQZ-UWJYYQICSA-N 1 0 362.477 3.583 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438855820 945144191 /nfs/dbraw/zinc/14/41/91/945144191.db2.gz VMWFVSPOPURJQE-VQTJNVASSA-N 1 0 356.514 3.841 20 30 FHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](CCC#N)c2ccccc2)o1 ZINC000160667672 936113310 /nfs/dbraw/zinc/11/33/10/936113310.db2.gz WHJYFSVZABAKFU-HXUWFJFHSA-N 1 0 368.481 3.706 20 30 FHEDRO C=CCC1([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CCOCC1 ZINC000657633399 936127319 /nfs/dbraw/zinc/12/73/19/936127319.db2.gz NVVASNBBEZELJS-UHFFFAOYSA-N 1 0 367.280 3.789 20 30 FHEDRO C[C@H]1[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000582805940 936141800 /nfs/dbraw/zinc/14/18/00/936141800.db2.gz UYBAWTNYIVRORO-UWJYYQICSA-N 1 0 359.473 3.635 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000415007599 945148191 /nfs/dbraw/zinc/14/81/91/945148191.db2.gz LPXZASIPEVVWKB-HNAYVOBHSA-N 1 0 364.449 3.990 20 30 FHEDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nc2cc(C#N)c(C#N)cc2nc1Cl ZINC001167625290 936193867 /nfs/dbraw/zinc/19/38/67/936193867.db2.gz UJVURSHQHORDNL-UHFFFAOYSA-N 1 0 368.872 3.511 20 30 FHEDRO CC[C@H](C#N)Sc1nnc([C@@H](CC)N(C)C)n1-c1ccc(OC)cc1 ZINC000126999925 938250246 /nfs/dbraw/zinc/25/02/46/938250246.db2.gz CPKFWAIKDHEXHD-HZPDHXFCSA-N 1 0 359.499 3.683 20 30 FHEDRO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000245538952 938302466 /nfs/dbraw/zinc/30/24/66/938302466.db2.gz ZJSTUBFKRWGEPR-PMACEKPBSA-N 1 0 357.498 3.581 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000583598191 938315270 /nfs/dbraw/zinc/31/52/70/938315270.db2.gz MMTZKMOEMZAPBR-LJQANCHMSA-N 1 0 353.514 3.517 20 30 FHEDRO Cc1nc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)sc1SCC#N ZINC000583600089 938316072 /nfs/dbraw/zinc/31/60/72/938316072.db2.gz LRBBQURODUALAB-CQSZACIVSA-N 1 0 364.540 3.803 20 30 FHEDRO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000246049613 938333154 /nfs/dbraw/zinc/33/31/54/938333154.db2.gz XXXIZNYIRFWSCW-UXHICEINSA-N 1 0 357.498 3.581 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@](=O)CC)C2)ccc1OC ZINC000246106313 938339555 /nfs/dbraw/zinc/33/95/55/938339555.db2.gz BOHNDAFLWKUYGA-QJMRKGMQSA-N 1 0 365.539 3.820 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246476545 938367939 /nfs/dbraw/zinc/36/79/39/938367939.db2.gz OQZFBNHELOGBHC-BZUAXINKSA-N 1 0 358.511 3.781 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)NCC(C)(C)CC#N)c1cccc(C(F)(F)F)c1 ZINC000458647480 938372315 /nfs/dbraw/zinc/37/23/15/938372315.db2.gz NYRBFVYTYTVMRA-OAHLLOKOSA-N 1 0 370.419 3.547 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1OCCCC#N ZINC000157796827 938412184 /nfs/dbraw/zinc/41/21/84/938412184.db2.gz NYEPYARQSBKHFN-OAQYLSRUSA-N 1 0 372.440 3.514 20 30 FHEDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1OCCCC#N ZINC000157796972 938414412 /nfs/dbraw/zinc/41/44/12/938414412.db2.gz NYEPYARQSBKHFN-NRFANRHFSA-N 1 0 372.440 3.514 20 30 FHEDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000583859462 938453835 /nfs/dbraw/zinc/45/38/35/938453835.db2.gz AJODYMAGLGWHTN-SFHVURJKSA-N 1 0 350.422 3.613 20 30 FHEDRO COc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000052635598 938458035 /nfs/dbraw/zinc/45/80/35/938458035.db2.gz JZZWRJZOUAQZFY-HXUWFJFHSA-N 1 0 364.449 3.525 20 30 FHEDRO CSc1ccc([C@H](CNC(=O)NCC2CCC(C#N)CC2)[NH+](C)C)cc1 ZINC000458738640 938506252 /nfs/dbraw/zinc/50/62/52/938506252.db2.gz QLMKNGROVJWJIO-RJYAGPCLSA-N 1 0 374.554 3.640 20 30 FHEDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@H]2C1 ZINC000583986673 938521995 /nfs/dbraw/zinc/52/19/95/938521995.db2.gz DQCICCCCSMTESJ-KHVBYCORSA-N 1 0 365.521 3.627 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000247968591 938522855 /nfs/dbraw/zinc/52/28/55/938522855.db2.gz FFKTUKILQAMROG-FCHUYYIVSA-N 1 0 374.488 3.701 20 30 FHEDRO CSc1ccc([C@H](CNC(=O)NCC(C)(C)CCC#N)[NH+](C)C)cc1 ZINC000458755274 938527195 /nfs/dbraw/zinc/52/71/95/938527195.db2.gz CKHKGDAQYSBCDX-KRWDZBQOSA-N 1 0 362.543 3.640 20 30 FHEDRO CCC[N@H+](C)[C@@H](CNC(=O)N(C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000458765061 938540076 /nfs/dbraw/zinc/54/00/76/938540076.db2.gz JTGSKCXATJLMNA-KRWDZBQOSA-N 1 0 364.921 3.914 20 30 FHEDRO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000329620330 938549244 /nfs/dbraw/zinc/54/92/44/938549244.db2.gz GQEAGRAXJIDNEZ-QZTJIDSGSA-N 1 0 358.482 3.782 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000278584762 938559188 /nfs/dbraw/zinc/55/91/88/938559188.db2.gz YKCZKBLPOZQHFS-UHFFFAOYSA-N 1 0 358.379 3.897 20 30 FHEDRO CC(C)C[C@H](CO)[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000584080918 938589715 /nfs/dbraw/zinc/58/97/15/938589715.db2.gz ZXVSFBFNLLFBRO-OAQYLSRUSA-N 1 0 352.478 3.976 20 30 FHEDRO C[NH+](C)CCN(C(=O)N[C@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000458795236 938591164 /nfs/dbraw/zinc/59/11/64/938591164.db2.gz CDQBOIBQVNIWOP-HXUWFJFHSA-N 1 0 356.514 3.937 20 30 FHEDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000329674714 938603238 /nfs/dbraw/zinc/60/32/38/938603238.db2.gz VNEVXWCFZAFKNN-PDWMJMLSSA-N 1 0 355.482 3.629 20 30 FHEDRO CC(C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000507370752 945189910 /nfs/dbraw/zinc/18/99/10/945189910.db2.gz MSXPGJRNPAIVBZ-UHFFFAOYSA-N 1 0 374.406 3.698 20 30 FHEDRO C=C(C)C[N@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccc(CO)o1 ZINC000660538900 945191017 /nfs/dbraw/zinc/19/10/17/945191017.db2.gz QMPRSRHQICXTEU-LJQANCHMSA-N 1 0 372.490 3.653 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(-c2ccccc2)n1 ZINC000584173369 938626560 /nfs/dbraw/zinc/62/65/60/938626560.db2.gz YJEKKTHYAXHXEM-FQEVSTJZSA-N 1 0 357.461 3.848 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000657841553 938701726 /nfs/dbraw/zinc/70/17/26/938701726.db2.gz FTQGTOHOMJNBNQ-NQIIRXRSSA-N 1 0 356.510 3.611 20 30 FHEDRO CC(C)(C#N)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511816385 945201951 /nfs/dbraw/zinc/20/19/51/945201951.db2.gz CUSLMLOLADNNNT-LEWJYISDSA-N 1 0 361.489 3.711 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000657851079 938782267 /nfs/dbraw/zinc/78/22/67/938782267.db2.gz LKXFYWFLOVYKLP-GIVPXCGWSA-N 1 0 356.510 3.820 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(=O)N1Cc2ccccc2C1 ZINC000584383006 938790062 /nfs/dbraw/zinc/79/00/62/938790062.db2.gz YAIDOBGPGZPNIA-ZDUSSCGKSA-N 1 0 373.378 3.598 20 30 FHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248713369 938806513 /nfs/dbraw/zinc/80/65/13/938806513.db2.gz JMIYHUIYYUWKCF-SWLSCSKDSA-N 1 0 353.388 3.796 20 30 FHEDRO CC[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000278755864 938806979 /nfs/dbraw/zinc/80/69/79/938806979.db2.gz OGPGTHZXFYNWPD-HXUWFJFHSA-N 1 0 351.450 3.752 20 30 FHEDRO N#CCCCCNC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000086393067 938844156 /nfs/dbraw/zinc/84/41/56/938844156.db2.gz GGMIHUVMKMGIAM-UHFFFAOYSA-N 1 0 368.525 3.911 20 30 FHEDRO C=C[C@@H](CC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccccc1 ZINC000089344461 938858484 /nfs/dbraw/zinc/85/84/84/938858484.db2.gz IVRYPKIHDMELCJ-IBGZPJMESA-N 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ZINC000458802715 938959996 /nfs/dbraw/zinc/95/99/96/938959996.db2.gz PWJGSWCEBZWJLM-PZJWPPBQSA-N 1 0 368.525 3.795 20 30 FHEDRO C=CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 ZINC000164605254 938963807 /nfs/dbraw/zinc/96/38/07/938963807.db2.gz UWZITDZEJPLBMI-UHFFFAOYSA-N 1 0 353.422 3.920 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000165004201 938963921 /nfs/dbraw/zinc/96/39/21/938963921.db2.gz GKQJJQWNPRPZJJ-LJQANCHMSA-N 1 0 351.425 3.733 20 30 FHEDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000472327151 938971864 /nfs/dbraw/zinc/97/18/64/938971864.db2.gz LRUITVSBZWJVIB-JJXUHFIVSA-N 1 0 354.425 3.520 20 30 FHEDRO [NH2+]=C(NCc1ccc(N2CCCC2=O)cc1)Nc1cccc2c1CCCC2 ZINC000262502751 938977256 /nfs/dbraw/zinc/97/72/56/938977256.db2.gz YYMKJLWTVJSBKR-UHFFFAOYSA-N 1 0 362.477 3.619 20 30 FHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000092806304 938983239 /nfs/dbraw/zinc/98/32/39/938983239.db2.gz ASFHBRXENOXEFG-UHFFFAOYSA-N 1 0 365.930 3.659 20 30 FHEDRO COc1ccc([C@@H](CNc2nccc(C)c2C#N)[NH+]2CCCCC2)cc1 ZINC000544069106 938990241 /nfs/dbraw/zinc/99/02/41/938990241.db2.gz MLXLQIRWHJXLIN-HXUWFJFHSA-N 1 0 350.466 3.909 20 30 FHEDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000611938883 938993507 /nfs/dbraw/zinc/99/35/07/938993507.db2.gz AYKUKSYCQQVAKB-HOCLYGCPSA-N 1 0 368.506 3.931 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166849285 938995985 /nfs/dbraw/zinc/99/59/85/938995985.db2.gz VDFVFEXYUHDDMW-MRXNPFEDSA-N 1 0 350.422 3.567 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166849401 938996013 /nfs/dbraw/zinc/99/60/13/938996013.db2.gz VDFVFEXYUHDDMW-INIZCTEOSA-N 1 0 350.422 3.567 20 30 FHEDRO CC(C)[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000181898127 939008459 /nfs/dbraw/zinc/00/84/59/939008459.db2.gz DATYSCPULNCBRF-QGZVFWFLSA-N 1 0 355.404 3.754 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(-c3ccccc3)c(C)n2)CC1 ZINC000685678626 939013457 /nfs/dbraw/zinc/01/34/57/939013457.db2.gz BYSNYIGKZZIKGK-UHFFFAOYSA-N 1 0 350.466 3.829 20 30 FHEDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548858926 939039567 /nfs/dbraw/zinc/03/95/67/939039567.db2.gz BDCIFAGZAQALDF-GHRIWEEISA-N 1 0 362.433 3.950 20 30 FHEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000658209980 939070429 /nfs/dbraw/zinc/07/04/29/939070429.db2.gz MDONFDPHLHOPAR-MRXNPFEDSA-N 1 0 351.512 3.646 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C)nn1C(C)(C)C)C(C)C ZINC000065787828 939143871 /nfs/dbraw/zinc/14/38/71/939143871.db2.gz WSZPJZHLCOWJRJ-QGZVFWFLSA-N 1 0 361.534 3.767 20 30 FHEDRO C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507429554 945231416 /nfs/dbraw/zinc/23/14/16/945231416.db2.gz PASBSDNSYMUMNY-IERDGZPVSA-N 1 0 365.452 3.804 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000548883582 939188948 /nfs/dbraw/zinc/18/89/48/939188948.db2.gz QMAVASWPWUCGED-UXHICEINSA-N 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COc1cc(C#N)ccc1C[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000179659453 939912336 /nfs/dbraw/zinc/91/23/36/939912336.db2.gz XONQUFTYKDRWHS-HNNXBMFYSA-N 1 0 373.497 3.692 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)c(C#N)c1C ZINC000179670806 939913405 /nfs/dbraw/zinc/91/34/05/939913405.db2.gz OMXPRCHYLCORHT-AWEZNQCLSA-N 1 0 355.438 3.845 20 30 FHEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000278786760 939935881 /nfs/dbraw/zinc/93/58/81/939935881.db2.gz NWKNUWHSHUQRBQ-INIZCTEOSA-N 1 0 357.498 3.715 20 30 FHEDRO N#Cc1ccccc1Cn1cccc1C[NH2+][C@H]1C[C@H](CO)c2ccccc21 ZINC000364554573 939962755 /nfs/dbraw/zinc/96/27/55/939962755.db2.gz YMPNNLHOZWDVND-XXBNENTESA-N 1 0 357.457 3.719 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CC1 ZINC000519300412 945289209 /nfs/dbraw/zinc/28/92/09/945289209.db2.gz JWHCVUPHTDVZDO-UHFFFAOYSA-N 1 0 369.553 4.000 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612364612 940024651 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CC[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C)cs1 ZINC000179986729 940192918 /nfs/dbraw/zinc/19/29/18/940192918.db2.gz CAIJMKFCUXFRQK-SJORKVTESA-N 1 0 354.479 3.560 20 30 FHEDRO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000179986949 940193034 /nfs/dbraw/zinc/19/30/34/940193034.db2.gz QVJKPYKOJBCCNF-VGOFRKELSA-N 1 0 372.472 3.921 20 30 FHEDRO CC(C)OCCC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924551911 940197262 /nfs/dbraw/zinc/19/72/62/940197262.db2.gz XGAPOOZESBUVIE-KRWDZBQOSA-N 1 0 367.534 3.711 20 30 FHEDRO Cn1cc(C[NH2+]CCc2c[nH]c3ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC000180027870 940270110 /nfs/dbraw/zinc/27/01/10/940270110.db2.gz LIEJPAODRKIUGU-UHFFFAOYSA-N 1 0 355.445 3.772 20 30 FHEDRO Cc1nc(COc2ccc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)cc2)no1 ZINC000180030663 940274698 /nfs/dbraw/zinc/27/46/98/940274698.db2.gz OQUIUJOORJCXBW-UHFFFAOYSA-N 1 0 374.444 3.993 20 30 FHEDRO C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1c(F)cncc1F ZINC000376108046 940320355 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3.994 20 30 FHEDRO C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1ccc(C#N)c(F)c1 ZINC000581328169 940499223 /nfs/dbraw/zinc/49/92/23/940499223.db2.gz LNIZZNFPPIVFIU-NSHDSACASA-N 1 0 353.319 3.841 20 30 FHEDRO C[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000177991922 940500089 /nfs/dbraw/zinc/50/00/89/940500089.db2.gz HHKMJCUHQXBNQL-CQSZACIVSA-N 1 0 351.269 3.548 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000581431907 940502373 /nfs/dbraw/zinc/50/23/73/940502373.db2.gz ATZWKCGBIPCTAX-OAHLLOKOSA-N 1 0 350.422 3.917 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000376238012 940504027 /nfs/dbraw/zinc/50/40/27/940504027.db2.gz BGSQAWYRSSTVOB-NRFANRHFSA-N 1 0 373.500 3.618 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC#N)cc1 ZINC000172473375 940506867 /nfs/dbraw/zinc/50/68/67/940506867.db2.gz DFQKKPVCBNBHLC-SJORKVTESA-N 1 0 373.497 3.887 20 30 FHEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414117122 940607599 /nfs/dbraw/zinc/60/75/99/940607599.db2.gz YQDRYNBSSBVBLE-KKSFZXQISA-N 1 0 363.461 3.722 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccncc2)c1 ZINC001125979044 945334976 /nfs/dbraw/zinc/33/49/76/945334976.db2.gz DHTWKJSPQWLTRA-AWEZNQCLSA-N 1 0 363.446 3.771 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nccc2ccccc21 ZINC000582270921 940662923 /nfs/dbraw/zinc/66/29/23/940662923.db2.gz ANMMRRCYMDRNBN-HRAATJIYSA-N 1 0 370.456 3.953 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000582461556 940667205 /nfs/dbraw/zinc/66/72/05/940667205.db2.gz ZHOWARRDVOAYFI-FDFHNCONSA-N 1 0 353.510 3.559 20 30 FHEDRO COc1cccc([C@H](CNc2nc(C(C)(C)C)ccc2C#N)[NH+](C)C)c1 ZINC000613409322 940683873 /nfs/dbraw/zinc/68/38/73/940683873.db2.gz VBQPJIYYGSSQJT-SFHVURJKSA-N 1 0 352.482 3.974 20 30 FHEDRO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000174033507 940693681 /nfs/dbraw/zinc/69/36/81/940693681.db2.gz UZYUKPRUVVQICO-SFHVURJKSA-N 1 0 365.477 3.505 20 30 FHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C(C)(C)C1 ZINC000282491250 940694172 /nfs/dbraw/zinc/69/41/72/940694172.db2.gz MNKPPSINXYPONS-GOSISDBHSA-N 1 0 373.497 3.714 20 30 FHEDRO N#Cc1ccccc1Cn1cccc1CN1CCC([NH2+]C2CCCC2)CC1 ZINC000376288041 940704934 /nfs/dbraw/zinc/70/49/34/940704934.db2.gz UFRYIHGKQXDHQY-UHFFFAOYSA-N 1 0 362.521 3.905 20 30 FHEDRO COc1cc(Cl)ccc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180182473 940761675 /nfs/dbraw/zinc/76/16/75/940761675.db2.gz NYPXXDYCCCXSKM-UHFFFAOYSA-N 1 0 366.852 3.911 20 30 FHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(Br)c(OC(F)(F)F)c1 ZINC001218206498 940831949 /nfs/dbraw/zinc/83/19/49/940831949.db2.gz LQVIYZMWFINVQO-LBPRGKRZSA-N 1 0 352.150 3.645 20 30 FHEDRO Cn1cc(C[NH2+]CC2(c3cccc(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180234921 940851872 /nfs/dbraw/zinc/85/18/72/940851872.db2.gz GSOZVVQKCJBZGZ-UHFFFAOYSA-N 1 0 360.436 3.919 20 30 FHEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Oc1ccc(F)cc1 ZINC000180256732 940884771 /nfs/dbraw/zinc/88/47/71/940884771.db2.gz NZWMSYCDGOFPEW-OAHLLOKOSA-N 1 0 364.424 3.655 20 30 FHEDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000582818526 940900741 /nfs/dbraw/zinc/90/07/41/940900741.db2.gz PPZUYUQXAOONBY-MRXNPFEDSA-N 1 0 351.450 3.809 20 30 FHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C12CCC2 ZINC000180280014 940906242 /nfs/dbraw/zinc/90/62/42/940906242.db2.gz DEMILDLZVURIKO-WOJBJXKFSA-N 1 0 364.493 3.738 20 30 FHEDRO C=CCOc1c(Br)cc(CNc2[nH+]ccn2CC)cc1OC ZINC000414295320 940911077 /nfs/dbraw/zinc/91/10/77/940911077.db2.gz FIIQLXWBWKPFCT-UHFFFAOYSA-N 1 0 366.259 3.851 20 30 FHEDRO C[C@@H](O)C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180294199 940936239 /nfs/dbraw/zinc/93/62/39/940936239.db2.gz ZMXYNLUPLQYYBD-UTKZUKDTSA-N 1 0 374.488 3.603 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414310866 940941275 /nfs/dbraw/zinc/94/12/75/940941275.db2.gz XGJQNUDWAVYOHI-YLJYHZDGSA-N 1 0 372.534 3.775 20 30 FHEDRO C#CCOc1ccccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249447071 940947778 /nfs/dbraw/zinc/94/77/78/940947778.db2.gz NLNAFGDQNPFFTD-RTBURBONSA-N 1 0 369.509 3.817 20 30 FHEDRO N#CCSc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000175948423 940957120 /nfs/dbraw/zinc/95/71/20/940957120.db2.gz WUBZEZKGMGZUPT-LJQANCHMSA-N 1 0 365.502 3.697 20 30 FHEDRO Cc1cc2ncc(C(=O)NC(C)(C)CC[NH+]3CCCCCC3)c(C)n2n1 ZINC000330117874 945363865 /nfs/dbraw/zinc/36/38/65/945363865.db2.gz XPNPAQIUOYIAPI-UHFFFAOYSA-N 1 0 357.502 3.695 20 30 FHEDRO Cn1cc(C[NH2+]CCc2cc3ccccc3[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000180333022 940973934 /nfs/dbraw/zinc/97/39/34/940973934.db2.gz RAOKMLCGBYWERE-UHFFFAOYSA-N 1 0 355.445 3.772 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[C@H]1c1cccs1 ZINC000376445249 941020607 /nfs/dbraw/zinc/02/06/07/941020607.db2.gz ASVADLRVWBYMFY-XIKOKIGWSA-N 1 0 371.466 3.605 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[C@H]1c1cccs1 ZINC000376445248 941020726 /nfs/dbraw/zinc/02/07/26/941020726.db2.gz ASVADLRVWBYMFY-SGTLLEGYSA-N 1 0 371.466 3.605 20 30 FHEDRO N#Cc1cc(Cl)ccc1CN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549073467 941045588 /nfs/dbraw/zinc/04/55/88/941045588.db2.gz DIYVYPCZRKMACX-UHFFFAOYSA-N 1 0 363.852 3.957 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000176544416 941059196 /nfs/dbraw/zinc/05/91/96/941059196.db2.gz GYOVLZDFVVTGSM-UHFFFAOYSA-N 1 0 362.477 3.957 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000176557756 941060470 /nfs/dbraw/zinc/06/04/70/941060470.db2.gz VECAUCWMRKIJEH-UHFFFAOYSA-N 1 0 360.355 3.544 20 30 FHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2ccccc2)c1 ZINC000180881168 941087950 /nfs/dbraw/zinc/08/79/50/941087950.db2.gz CAJKZYZQKKWIMN-YIYXVTKBSA-N 1 0 361.445 3.531 20 30 FHEDRO CC(C)[NH+]1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181174800 941112083 /nfs/dbraw/zinc/11/20/83/941112083.db2.gz RTUONVROZKCQFL-UHFFFAOYSA-N 1 0 363.461 3.953 20 30 FHEDRO N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000181185697 941112466 /nfs/dbraw/zinc/11/24/66/941112466.db2.gz YGMYQGHFSIODCP-VQIMIIECSA-N 1 0 374.326 3.769 20 30 FHEDRO COc1ccc2c(c1)CCC[C@@H]2CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000164308694 941116182 /nfs/dbraw/zinc/11/61/82/941116182.db2.gz XDCQKNDTHSTKSD-OAHLLOKOSA-N 1 0 369.465 3.559 20 30 FHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000181390083 941145155 /nfs/dbraw/zinc/14/51/55/941145155.db2.gz IJRWDLOCJRZXDW-UHFFFAOYSA-N 1 0 361.445 3.518 20 30 FHEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000311309389 941223710 /nfs/dbraw/zinc/22/37/10/941223710.db2.gz WJPBFJASFZGRRD-GOSISDBHSA-N 1 0 358.482 3.578 20 30 FHEDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000311303017 941226876 /nfs/dbraw/zinc/22/68/76/941226876.db2.gz LABPPOMYVCYIJG-HXUWFJFHSA-N 1 0 361.486 3.618 20 30 FHEDRO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)on1 ZINC000541084907 941259016 /nfs/dbraw/zinc/25/90/16/941259016.db2.gz DEQYTAOHCCEIPS-HNNXBMFYSA-N 1 0 360.417 3.811 20 30 FHEDRO C=CCS(=O)(=O)CCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000782967858 941351748 /nfs/dbraw/zinc/35/17/48/941351748.db2.gz CJGOIRPSPWLYEH-UHFFFAOYSA-N 1 0 373.396 3.656 20 30 FHEDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000414562079 941374121 /nfs/dbraw/zinc/37/41/21/941374121.db2.gz BZWXVQQUGGBNQD-UTKZUKDTSA-N 1 0 350.462 3.730 20 30 FHEDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000414562080 941374268 /nfs/dbraw/zinc/37/42/68/941374268.db2.gz BZWXVQQUGGBNQD-UWJYYQICSA-N 1 0 350.462 3.730 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCC[C@@H](CO)C3)c2)c1 ZINC000414578703 941385080 /nfs/dbraw/zinc/38/50/80/941385080.db2.gz PSVUAQDSIVZGOE-CTNGQTDRSA-N 1 0 350.462 3.778 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000181526265 941431165 /nfs/dbraw/zinc/43/11/65/941431165.db2.gz UQZBTWCOAKVRBL-CVEARBPZSA-N 1 0 363.461 3.627 20 30 FHEDRO N#CCCOCC[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000590209491 941438034 /nfs/dbraw/zinc/43/80/34/941438034.db2.gz BUWOUTGKPVUHCU-INIZCTEOSA-N 1 0 351.288 3.776 20 30 FHEDRO C=CC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000376927719 941468112 /nfs/dbraw/zinc/46/81/12/941468112.db2.gz SPTIGLJIRDVJJA-CQSZACIVSA-N 1 0 365.315 3.916 20 30 FHEDRO C[C@H]1C[C@H](CNC(=O)NCC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000376952171 941475920 /nfs/dbraw/zinc/47/59/20/941475920.db2.gz ZKPVXSYRBFGGAB-PKOBYXMFSA-N 1 0 356.514 3.526 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)CCC#N ZINC000377004756 941488500 /nfs/dbraw/zinc/48/85/00/941488500.db2.gz HNJLCKGDYRJKGT-FQEVSTJZSA-N 1 0 370.541 3.870 20 30 FHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000414958258 941523046 /nfs/dbraw/zinc/52/30/46/941523046.db2.gz RMQAPBMGERQBHX-QHAWAJNXSA-N 1 0 357.457 3.673 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]([NH3+])C3CC3)cc2Cl)cc1 ZINC000414961076 941528978 /nfs/dbraw/zinc/52/89/78/941528978.db2.gz IFFDDMFMXQWZCN-KRWDZBQOSA-N 1 0 370.840 3.863 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000415000365 941535128 /nfs/dbraw/zinc/53/51/28/941535128.db2.gz AVWAEAMRUVFLEN-MRXNPFEDSA-N 1 0 350.422 3.614 20 30 FHEDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415002832 941540698 /nfs/dbraw/zinc/54/06/98/941540698.db2.gz DZILSNNCFFPCAF-SFHVURJKSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[C@@H]1[NH3+] ZINC000415005185 941541339 /nfs/dbraw/zinc/54/13/39/941541339.db2.gz ITILUBPRNGLXSO-KSSFIOAISA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000415013660 941542306 /nfs/dbraw/zinc/54/23/06/941542306.db2.gz VEGXYJFBIBCLIQ-UHFFFAOYSA-N 1 0 350.422 3.553 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415017138 941543264 /nfs/dbraw/zinc/54/32/64/941543264.db2.gz DZNCVUPAPMPJDI-MRXNPFEDSA-N 1 0 350.422 3.533 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC2(C[NH3+])CCCC2)cc1 ZINC000415014322 941546541 /nfs/dbraw/zinc/54/65/41/941546541.db2.gz WQLPLLNZBVWXND-UHFFFAOYSA-N 1 0 350.422 3.744 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415034318 941557285 /nfs/dbraw/zinc/55/72/85/941557285.db2.gz HPNSQVMGJDESMV-GOEBONIOSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H]1[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000377215712 941566501 /nfs/dbraw/zinc/56/65/01/941566501.db2.gz QZPYLGDWOIZNBW-BWAGFHJFSA-N 1 0 373.500 3.711 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC000415045768 941569577 /nfs/dbraw/zinc/56/95/77/941569577.db2.gz UKJBNPYKRULILN-UHFFFAOYSA-N 1 0 350.422 3.566 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])cc2)cc1 ZINC000415045771 941569594 /nfs/dbraw/zinc/56/95/94/941569594.db2.gz UKXAHYOGEHRMJS-OXJNMPFZSA-N 1 0 364.449 3.990 20 30 FHEDRO COC(=O)c1ccc(OCC[NH2+][C@H](C)c2ccc(C#N)cc2)c(Cl)c1 ZINC000549174109 941585319 /nfs/dbraw/zinc/58/53/19/941585319.db2.gz NGVPWSCMOIJCPX-CYBMUJFWSA-N 1 0 358.825 3.728 20 30 FHEDRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000549174624 941587423 /nfs/dbraw/zinc/58/74/23/941587423.db2.gz VUULHVDXYGNKPX-ZDUSSCGKSA-N 1 0 357.841 3.818 20 30 FHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415118253 941613959 /nfs/dbraw/zinc/61/39/59/941613959.db2.gz CVNZJMYHAHOSHJ-OAHLLOKOSA-N 1 0 374.391 3.761 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](CC[NH3+])C3)c2)cc1 ZINC000415143362 941628873 /nfs/dbraw/zinc/62/88/73/941628873.db2.gz AREFUJUJGWAHBK-KRWDZBQOSA-N 1 0 364.449 3.943 20 30 FHEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415142875 941629332 /nfs/dbraw/zinc/62/93/32/941629332.db2.gz AAXBYYVSUNDSNW-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415156401 941637940 /nfs/dbraw/zinc/63/79/40/941637940.db2.gz GINXMESVPSOGIR-FQEVSTJZSA-N 1 0 352.438 3.845 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000415150971 941639459 /nfs/dbraw/zinc/63/94/59/941639459.db2.gz RQWJASLJQZKSFW-SJORKVTESA-N 1 0 364.449 3.990 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCC[C@H]3CCC[NH2+]3)cc2)c1 ZINC000415152506 941639838 /nfs/dbraw/zinc/63/98/38/941639838.db2.gz BSKCNBVUKRXYCC-MRXNPFEDSA-N 1 0 350.422 3.614 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415160002 941643317 /nfs/dbraw/zinc/64/33/17/941643317.db2.gz KMYIAWIGKOLQMD-KXBFYZLASA-N 1 0 358.511 3.688 20 30 FHEDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415167102 941648571 /nfs/dbraw/zinc/64/85/71/941648571.db2.gz SMPCCLHFWODOCZ-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)cc2)c1 ZINC000415172026 941648943 /nfs/dbraw/zinc/64/89/43/941648943.db2.gz YVANATHNOVQYAV-DLBZAZTESA-N 1 0 364.449 3.990 20 30 FHEDRO C=CCC[C@H](O)C[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000472743104 941661315 /nfs/dbraw/zinc/66/13/15/941661315.db2.gz APHYIBAJHLARMG-AWEZNQCLSA-N 1 0 359.297 3.971 20 30 FHEDRO CC1(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[NH2+]CC1 ZINC000415224537 941686428 /nfs/dbraw/zinc/68/64/28/941686428.db2.gz BAVHCUDBSOWOHD-UHFFFAOYSA-N 1 0 368.412 3.753 20 30 FHEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000472764596 941712502 /nfs/dbraw/zinc/71/25/02/941712502.db2.gz CQWLNPJMWYYDHV-IBGZPJMESA-N 1 0 350.462 3.638 20 30 FHEDRO CC#CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549243038 941714185 /nfs/dbraw/zinc/71/41/85/941714185.db2.gz SPLWUISRGDMROY-DQXYTYHJSA-N 1 0 359.901 3.576 20 30 FHEDRO C=CCc1cc(C(=O)Nc2ccccc2C[NH2+]CC)cc(OC)c1OC ZINC000237087452 941722853 /nfs/dbraw/zinc/72/28/53/941722853.db2.gz NBWPMLCKQLKPHB-UHFFFAOYSA-N 1 0 354.450 3.794 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1C#N ZINC000415311337 941745537 /nfs/dbraw/zinc/74/55/37/941745537.db2.gz ZVYNGQKSCKYTLQ-LJQANCHMSA-N 1 0 366.465 3.947 20 30 FHEDRO C[NH+]1CCC(N(C(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2)CC1 ZINC000614472022 941752247 /nfs/dbraw/zinc/75/22/47/941752247.db2.gz IVSDNNHCAGGUPE-UHFFFAOYSA-N 1 0 353.853 3.953 20 30 FHEDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000377667802 941884038 /nfs/dbraw/zinc/88/40/38/941884038.db2.gz BESWWWNFEXNMGB-HXUWFJFHSA-N 1 0 369.465 3.765 20 30 FHEDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CC1 ZINC000415539690 941886240 /nfs/dbraw/zinc/88/62/40/941886240.db2.gz VKCLATLQJACUFW-FQEVSTJZSA-N 1 0 350.422 3.599 20 30 FHEDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415536927 941889118 /nfs/dbraw/zinc/88/91/18/941889118.db2.gz ODAHCCNPSOQLCG-HXUWFJFHSA-N 1 0 350.422 3.553 20 30 FHEDRO CCc1nnc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000262384951 941892532 /nfs/dbraw/zinc/89/25/32/941892532.db2.gz PQRFNIUANGNTEI-QMMMGPOBSA-N 1 0 358.298 3.573 20 30 FHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000415588191 941925139 /nfs/dbraw/zinc/92/51/39/941925139.db2.gz XKDSPRMBHVUVIR-UHFFFAOYSA-N 1 0 359.514 3.676 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000413824718 941965840 /nfs/dbraw/zinc/96/58/40/941965840.db2.gz DGWIUTABZMONAT-SJBKTWHCSA-N 1 0 367.537 3.832 20 30 FHEDRO C=C1CC[NH+](Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)CC1 ZINC000513502883 941975310 /nfs/dbraw/zinc/97/53/10/941975310.db2.gz HURVLFQDCXUNST-UHFFFAOYSA-N 1 0 372.509 3.629 20 30 FHEDRO N#CCc1ccc(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c(Cl)c1 ZINC000415792418 942056461 /nfs/dbraw/zinc/05/64/61/942056461.db2.gz VMWHGLWZCWODBZ-UHFFFAOYSA-N 1 0 372.900 3.681 20 30 FHEDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415800939 942058797 /nfs/dbraw/zinc/05/87/97/942058797.db2.gz FOSWRNRWFXOXQJ-AWEZNQCLSA-N 1 0 354.479 3.686 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C[C@H]1[NH3+] ZINC000415804427 942061191 /nfs/dbraw/zinc/06/11/91/942061191.db2.gz KXYAPZFDSTZRMV-CXAGYDPISA-N 1 0 352.463 3.520 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000549367943 942062546 /nfs/dbraw/zinc/06/25/46/942062546.db2.gz KSOIHKXOCNFBBF-UHFFFAOYSA-N 1 0 372.694 3.874 20 30 FHEDRO N#CCCn1cc(C[NH2+]CCCc2ccccc2F)c(-c2ccncc2)n1 ZINC000280300766 942154866 /nfs/dbraw/zinc/15/48/66/942154866.db2.gz OXPSHVJEHKXADK-UHFFFAOYSA-N 1 0 363.440 3.720 20 30 FHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000181908953 942184685 /nfs/dbraw/zinc/18/46/85/942184685.db2.gz RJXFIWNLVWXVFD-KRWDZBQOSA-N 1 0 363.461 3.764 20 30 FHEDRO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000181984515 942190493 /nfs/dbraw/zinc/19/04/93/942190493.db2.gz ZJSTUBFKRWGEPR-VQTJNVASSA-N 1 0 357.498 3.581 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)c1ccc(F)c(F)c1 ZINC000502047103 942198402 /nfs/dbraw/zinc/19/84/02/942198402.db2.gz ZHXIKUDJEQXXBM-JVPBZIDWSA-N 1 0 363.452 3.850 20 30 FHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C#N)s1 ZINC000420830416 942216821 /nfs/dbraw/zinc/21/68/21/942216821.db2.gz HZMMQWPZUNKNTB-IBGZPJMESA-N 1 0 370.522 3.576 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000280699490 942231940 /nfs/dbraw/zinc/23/19/40/942231940.db2.gz SGGVZVIXTLILNX-KNQAVFIVSA-N 1 0 368.477 3.740 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000280704711 942236356 /nfs/dbraw/zinc/23/63/56/942236356.db2.gz CRSPMLVISBBOAG-DNVCBOLYSA-N 1 0 362.901 3.515 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000481001292 942259998 /nfs/dbraw/zinc/25/99/98/942259998.db2.gz DFQYZOAKBJKLOP-OAHLLOKOSA-N 1 0 351.450 3.764 20 30 FHEDRO CC(C)[NH+](CCCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(C)C ZINC000502188135 942275880 /nfs/dbraw/zinc/27/58/80/942275880.db2.gz FXIGNAUVDDETEH-UHFFFAOYSA-N 1 0 368.525 3.866 20 30 FHEDRO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(C)C)[nH]c2=O)C[C@H]1C ZINC001104759797 942277900 /nfs/dbraw/zinc/27/79/00/942277900.db2.gz WVDAEZZLPRICTL-IAGOWNOFSA-N 1 0 359.514 3.565 20 30 FHEDRO CN(C)[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000237018500 942288685 /nfs/dbraw/zinc/28/86/85/942288685.db2.gz CVSRSCBJWMLCQA-OAQYLSRUSA-N 1 0 355.457 3.901 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000501129863 942314712 /nfs/dbraw/zinc/31/47/12/942314712.db2.gz IGXKOZJJLLSPAO-NRFANRHFSA-N 1 0 368.521 3.866 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccc(C#N)s1 ZINC000421072530 942330218 /nfs/dbraw/zinc/33/02/18/942330218.db2.gz UARDXCBUFXSWGR-UHFFFAOYSA-N 1 0 372.494 3.662 20 30 FHEDRO COCc1nccc([C@H]2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)n1 ZINC000378171156 942351822 /nfs/dbraw/zinc/35/18/22/942351822.db2.gz ZGGSBCCZDXIWMD-SFHVURJKSA-N 1 0 364.493 3.804 20 30 FHEDRO COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000501244295 942358468 /nfs/dbraw/zinc/35/84/68/942358468.db2.gz UZSGEUBIYFXKHF-UHFFFAOYSA-N 1 0 350.462 3.874 20 30 FHEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)CSCc1ccc(C#N)cc1 ZINC000501231830 942361912 /nfs/dbraw/zinc/36/19/12/942361912.db2.gz ZJXCZRRVAFRIQX-UHFFFAOYSA-N 1 0 373.566 3.762 20 30 FHEDRO C[NH+](C)[C@@H](CC(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000416120384 942364023 /nfs/dbraw/zinc/36/40/23/942364023.db2.gz DGEKIWRLGLQQHU-FQEVSTJZSA-N 1 0 367.518 3.601 20 30 FHEDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000501254639 942365720 /nfs/dbraw/zinc/36/57/20/942365720.db2.gz SDFZXKCJLYXDNY-QGZVFWFLSA-N 1 0 365.477 3.597 20 30 FHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000584561424 942367839 /nfs/dbraw/zinc/36/78/39/942367839.db2.gz IEHOCBQGOKSZLL-MRXNPFEDSA-N 1 0 366.465 3.596 20 30 FHEDRO Cc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502508215 942485297 /nfs/dbraw/zinc/48/52/97/942485297.db2.gz QCJCKFUDOBPCSC-JOCHJYFZSA-N 1 0 362.473 3.704 20 30 FHEDRO COc1ccc(C)cc1C1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCOCC1 ZINC000421330519 942486937 /nfs/dbraw/zinc/48/69/37/942486937.db2.gz XUEGTPFLZXSWLT-UHFFFAOYSA-N 1 0 368.452 3.852 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cc1F ZINC000421333992 942507723 /nfs/dbraw/zinc/50/77/23/942507723.db2.gz OYECLPSIBBHFRL-FQEVSTJZSA-N 1 0 373.859 3.514 20 30 FHEDRO N#Cc1ccc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1F ZINC000421337674 942509572 /nfs/dbraw/zinc/50/95/72/942509572.db2.gz PABFIYDTROGIAI-UHFFFAOYSA-N 1 0 353.441 3.514 20 30 FHEDRO C[C@H](c1ccccc1)N(C)C(=O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554096 942537357 /nfs/dbraw/zinc/53/73/57/942537357.db2.gz OWRZJRCVNINULS-GOSISDBHSA-N 1 0 359.473 3.867 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC(F)(F)F ZINC000414516414 942540574 /nfs/dbraw/zinc/54/05/74/942540574.db2.gz OUZLDCOTANHIBG-CYBMUJFWSA-N 1 0 351.376 3.537 20 30 FHEDRO CCCCCCCCCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000378309775 942566401 /nfs/dbraw/zinc/56/64/01/942566401.db2.gz BRMXIUCUJZNEPZ-WOJBJXKFSA-N 1 0 351.579 3.612 20 30 FHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458809000 942574579 /nfs/dbraw/zinc/57/45/79/942574579.db2.gz ZRDDRZLGIQWEIQ-HSALFYBXSA-N 1 0 354.498 3.547 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000502622726 942588383 /nfs/dbraw/zinc/58/83/83/942588383.db2.gz OHYQXSZYZWEXSZ-NRFANRHFSA-N 1 0 356.514 3.670 20 30 FHEDRO N#Cc1cnc2c(Br)cccc2c1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420280356 942602784 /nfs/dbraw/zinc/60/27/84/942602784.db2.gz LCCUICQJUYWSEW-WCQYABFASA-N 1 0 359.271 3.798 20 30 FHEDRO CC[N@H+](Cc1ccc(C(=O)NCC#Cc2cccc(F)c2)cc1)C1CC1 ZINC000513913784 942604698 /nfs/dbraw/zinc/60/46/98/942604698.db2.gz VNLLIZUAIZTSER-UHFFFAOYSA-N 1 0 350.437 3.592 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000366982834 942643140 /nfs/dbraw/zinc/64/31/40/942643140.db2.gz PGEPZPVNZXOXJP-HXUWFJFHSA-N 1 0 371.484 3.810 20 30 FHEDRO C=CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1)c1ccccc1 ZINC000416331199 942670640 /nfs/dbraw/zinc/67/06/40/942670640.db2.gz AWYRLMHJSAQVPI-LJQANCHMSA-N 1 0 368.477 3.934 20 30 FHEDRO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000425081966 942676840 /nfs/dbraw/zinc/67/68/40/942676840.db2.gz FFQUTAXTIIHPSD-CQSZACIVSA-N 1 0 367.415 3.678 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](CC(F)(F)F)C1)C(C)C ZINC000434478416 942702066 /nfs/dbraw/zinc/70/20/66/942702066.db2.gz UOCHMQYXYBVYPB-HZPDHXFCSA-N 1 0 361.452 3.669 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000066813039 942710418 /nfs/dbraw/zinc/71/04/18/942710418.db2.gz DYCLOJSDFYIPLD-UHFFFAOYSA-N 1 0 364.449 3.815 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000414543302 942725636 /nfs/dbraw/zinc/72/56/36/942725636.db2.gz SQNYIMXSNNMMFZ-QFIPXVFZSA-N 1 0 367.489 3.871 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCCCOCCc2ccccc2)O1 ZINC000378452274 942786202 /nfs/dbraw/zinc/78/62/02/942786202.db2.gz LFKJRTATDGCFAF-YSFYHYPLSA-N 1 0 356.510 3.855 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1cccs1 ZINC000416402355 942786780 /nfs/dbraw/zinc/78/67/80/942786780.db2.gz WSMCFJYBCCLDLC-ROUUACIJSA-N 1 0 368.506 3.599 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1cccs1 ZINC000416402354 942786908 /nfs/dbraw/zinc/78/69/08/942786908.db2.gz WSMCFJYBCCLDLC-QZTJIDSGSA-N 1 0 368.506 3.599 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@@H](c2ccccc2)N2CCCC2)O1 ZINC000378457439 942790756 /nfs/dbraw/zinc/79/07/56/942790756.db2.gz VPNJOUIUVFQTGL-YXIAPDDASA-N 1 0 353.510 3.653 20 30 FHEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)cc1OC ZINC000378459438 942793293 /nfs/dbraw/zinc/79/32/93/942793293.db2.gz ZSGMHZLONQLLSB-FLNBYBTLSA-N 1 0 372.509 3.712 20 30 FHEDRO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000312175324 942798923 /nfs/dbraw/zinc/79/89/23/942798923.db2.gz FAXUTWBSSUHAKN-MDZRGWNJSA-N 1 0 373.497 3.623 20 30 FHEDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000434613651 942799632 /nfs/dbraw/zinc/79/96/32/942799632.db2.gz DUODNGPDMJFUTR-OAQYLSRUSA-N 1 0 353.441 3.643 20 30 FHEDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)cc1 ZINC000378466122 942802046 /nfs/dbraw/zinc/80/20/46/942802046.db2.gz ZFXCDCJXGQCWHW-NMLBUPMWSA-N 1 0 355.482 3.755 20 30 FHEDRO Cc1cc(Cl)nc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000367065549 942803501 /nfs/dbraw/zinc/80/35/01/942803501.db2.gz JAKCMUKAWJIENR-UHFFFAOYSA-N 1 0 351.841 3.605 20 30 FHEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1 ZINC000378477331 942812586 /nfs/dbraw/zinc/81/25/86/942812586.db2.gz XLOPZIAKQRXHRM-VQIMIIECSA-N 1 0 365.502 3.726 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(OCc2nccn2C)cc1 ZINC000421866705 942853887 /nfs/dbraw/zinc/85/38/87/942853887.db2.gz BLHRANROHFDBCK-CQSZACIVSA-N 1 0 352.463 3.783 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000434677644 942863301 /nfs/dbraw/zinc/86/33/01/942863301.db2.gz ZJBSJZNTPLNIPH-HNNXBMFYSA-N 1 0 352.569 3.869 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCSC(C)(C)CC2)c1 ZINC000434688693 942865537 /nfs/dbraw/zinc/86/55/37/942865537.db2.gz OTPQVJBVBWSXCD-UHFFFAOYSA-N 1 0 359.539 3.768 20 30 FHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434712831 942875501 /nfs/dbraw/zinc/87/55/01/942875501.db2.gz DSRMJAOVEPCZPE-HNNXBMFYSA-N 1 0 363.502 3.678 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)cc1 ZINC000378552216 942882438 /nfs/dbraw/zinc/88/24/38/942882438.db2.gz PYMRAWYQTFPJJU-AUUYWEPGSA-N 1 0 361.424 3.621 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)s1 ZINC000378554271 942884428 /nfs/dbraw/zinc/88/44/28/942884428.db2.gz VZSKEHYMARMTIK-DOMZBBRYSA-N 1 0 367.453 3.683 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000046751867 942916269 /nfs/dbraw/zinc/91/62/69/942916269.db2.gz MZLMNJUTOXDNBW-LJQANCHMSA-N 1 0 370.541 3.992 20 30 FHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509961949 942920738 /nfs/dbraw/zinc/92/07/38/942920738.db2.gz ARYZRJUXVPVZAB-OAQYLSRUSA-N 1 0 364.489 3.575 20 30 FHEDRO COC[C@@]1(C[NH2+][C@H](C)c2cccc(C#N)c2)CCCN1C(=O)OC(C)(C)C ZINC000312234699 942927393 /nfs/dbraw/zinc/92/73/93/942927393.db2.gz ADVXJZXSCUWLMC-IERDGZPVSA-N 1 0 373.497 3.625 20 30 FHEDRO Fc1cc(C[NH2+]CCOCC(F)(F)C(F)F)cc(C(F)(F)F)c1 ZINC000434790069 942968192 /nfs/dbraw/zinc/96/81/92/942968192.db2.gz QFJPMZMOCDVVEO-UHFFFAOYSA-N 1 0 351.237 3.851 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000473002674 942970505 /nfs/dbraw/zinc/97/05/05/942970505.db2.gz QSBOZEWROCQSLC-QUCCMNQESA-N 1 0 355.526 3.690 20 30 FHEDRO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505558106 943026665 /nfs/dbraw/zinc/02/66/65/943026665.db2.gz OZRJAUOGLKZXLG-RTWAWAEBSA-N 1 0 368.525 3.744 20 30 FHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(OCC#N)cc3)ccc2NC1=O ZINC000271702659 943037848 /nfs/dbraw/zinc/03/78/48/943037848.db2.gz HVGICGBVNQKULK-LIRRHRJNSA-N 1 0 365.433 3.549 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000434904018 943041199 /nfs/dbraw/zinc/04/11/99/943041199.db2.gz MAYMYUBMTCAPRY-HXUWFJFHSA-N 1 0 368.864 3.741 20 30 FHEDRO COc1ccc(COCCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271860943 943062000 /nfs/dbraw/zinc/06/20/00/943062000.db2.gz KFZSHWBIPJRLLE-KRWDZBQOSA-N 1 0 354.450 3.855 20 30 FHEDRO O=c1ccccn1C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000503266935 943099180 /nfs/dbraw/zinc/09/91/80/943099180.db2.gz IGUIQSMMSWTUJF-OAQYLSRUSA-N 1 0 362.860 3.884 20 30 FHEDRO O=c1ccccn1C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000503266934 943099499 /nfs/dbraw/zinc/09/94/99/943099499.db2.gz IGUIQSMMSWTUJF-NRFANRHFSA-N 1 0 362.860 3.884 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2COc3cc(OC)ccc3C2)ccc1OC ZINC000503269203 943099883 /nfs/dbraw/zinc/09/98/83/943099883.db2.gz YDSORBNHISYEOT-SFHVURJKSA-N 1 0 369.461 3.752 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000047944024 943117569 /nfs/dbraw/zinc/11/75/69/943117569.db2.gz SHIPVRMGIQQCRJ-IIBYNOLFSA-N 1 0 364.493 3.784 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H](Nc3cc[nH+]c4cc(F)ccc34)C2=O)cc1 ZINC000503316579 943121033 /nfs/dbraw/zinc/12/10/33/943121033.db2.gz MRJWOZHZKAEKIZ-IBGZPJMESA-N 1 0 360.392 3.853 20 30 FHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000435063975 943137032 /nfs/dbraw/zinc/13/70/32/943137032.db2.gz DGCTZNYJKHQYRC-QMIHWGKISA-N 1 0 352.409 3.789 20 30 FHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3CC#N)cc2)CC1 ZINC000514618367 943153255 /nfs/dbraw/zinc/15/32/55/943153255.db2.gz XUEBNANTJZBKAI-UHFFFAOYSA-N 1 0 362.477 3.535 20 30 FHEDRO CC1(C#N)CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000272492419 943164381 /nfs/dbraw/zinc/16/43/81/943164381.db2.gz CJVDGPGXCKTISY-UHFFFAOYSA-N 1 0 368.250 3.542 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2nc(C)oc2c1)C(C)C ZINC000503408869 943167573 /nfs/dbraw/zinc/16/75/73/943167573.db2.gz RYWBXHUXFFQVSG-SFHVURJKSA-N 1 0 356.470 3.956 20 30 FHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422558643 943180838 /nfs/dbraw/zinc/18/08/38/943180838.db2.gz OYVNTWRIOBZTPV-UHFFFAOYSA-N 1 0 368.437 3.608 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272639788 943190970 /nfs/dbraw/zinc/19/09/70/943190970.db2.gz CCAVTOLTKKLHMS-CABCVRRESA-N 1 0 358.511 3.853 20 30 FHEDRO CCCC[C@H](ON=C(C)C)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000272642443 943191903 /nfs/dbraw/zinc/19/19/03/943191903.db2.gz XYGWVDGDTFPHAX-IBGZPJMESA-N 1 0 363.502 3.674 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435139962 943200691 /nfs/dbraw/zinc/20/06/91/943200691.db2.gz YNPTUEHPRPPYNJ-OAQYLSRUSA-N 1 0 372.476 3.545 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272710880 943206903 /nfs/dbraw/zinc/20/69/03/943206903.db2.gz KNISULMMKATADG-HUUCEWRRSA-N 1 0 358.511 3.710 20 30 FHEDRO COc1ccc([C@H](CNc2cccc(Cl)c2C#N)[NH+](C)C)cc1OC ZINC000514767805 943278895 /nfs/dbraw/zinc/27/88/95/943278895.db2.gz WCJHBPROWCQYQE-KRWDZBQOSA-N 1 0 359.857 3.944 20 30 FHEDRO C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000365859916 943296890 /nfs/dbraw/zinc/29/68/90/943296890.db2.gz YPBVOSAUECJVPX-AWEZNQCLSA-N 1 0 368.506 3.591 20 30 FHEDRO C=CCCCC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435300958 943320940 /nfs/dbraw/zinc/32/09/40/943320940.db2.gz WYFRFYKGPPEZOY-IBGZPJMESA-N 1 0 352.482 3.933 20 30 FHEDRO CN1C(=O)C[C@H]([NH2+]CCC2(C#N)CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000514844995 943326782 /nfs/dbraw/zinc/32/67/82/943326782.db2.gz QLDUWGHWATZSCR-PKOBYXMFSA-N 1 0 361.436 3.690 20 30 FHEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H]1c1ccccc1 ZINC000566429358 943375626 /nfs/dbraw/zinc/37/56/26/943375626.db2.gz TXGWHBWTATYUBH-VQTJNVASSA-N 1 0 363.461 3.511 20 30 FHEDRO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425366052 943376129 /nfs/dbraw/zinc/37/61/29/943376129.db2.gz OHHFDLNGKZAGCA-JKSUJKDBSA-N 1 0 352.434 3.692 20 30 FHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431927598 943410639 /nfs/dbraw/zinc/41/06/39/943410639.db2.gz ZCAPMTJNTJWTQQ-RBUKOAKNSA-N 1 0 356.514 3.841 20 30 FHEDRO CC(C)(C)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000503952693 943435107 /nfs/dbraw/zinc/43/51/07/943435107.db2.gz OTDRKIJEJOWSSY-QGZVFWFLSA-N 1 0 368.506 3.597 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1C#N ZINC000435562479 943486476 /nfs/dbraw/zinc/48/64/76/943486476.db2.gz GIRRVCVSAKZSLB-INIZCTEOSA-N 1 0 358.486 3.589 20 30 FHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000515141832 943521536 /nfs/dbraw/zinc/52/15/36/943521536.db2.gz ZQGKDCVIEQEUDX-RTWAWAEBSA-N 1 0 360.461 3.636 20 30 FHEDRO N#Cc1ccc([C@@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C(N)=O)cc1 ZINC000435665331 943535419 /nfs/dbraw/zinc/53/54/19/943535419.db2.gz PPXIBABVGDJMJM-KBAYOESNSA-N 1 0 373.378 3.639 20 30 FHEDRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417374288 943544053 /nfs/dbraw/zinc/54/40/53/943544053.db2.gz XWWHJCHRFJIKLH-YWZLYKJASA-N 1 0 364.445 3.838 20 30 FHEDRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417385685 943561771 /nfs/dbraw/zinc/56/17/71/943561771.db2.gz MGULEJAQAAMAPJ-HTAPYJJXSA-N 1 0 361.489 3.663 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000664498065 943570662 /nfs/dbraw/zinc/57/06/62/943570662.db2.gz ULVGNLZOJIIABP-RTWAWAEBSA-N 1 0 371.525 3.590 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000435725642 943582153 /nfs/dbraw/zinc/58/21/53/943582153.db2.gz HUXIBFRBIPBNOX-SJCJKPOMSA-N 1 0 367.280 3.645 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000435752432 943586141 /nfs/dbraw/zinc/58/61/41/943586141.db2.gz XXUXQBMNJQRSME-SJKOYZFVSA-N 1 0 370.287 3.537 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000435735038 943587255 /nfs/dbraw/zinc/58/72/55/943587255.db2.gz ISSAZNGFRDQSPB-YVEFUNNKSA-N 1 0 367.280 3.645 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000435738761 943590260 /nfs/dbraw/zinc/59/02/60/943590260.db2.gz UHBCWBQMKUVSBJ-YVEFUNNKSA-N 1 0 353.388 3.663 20 30 FHEDRO C[S@@](=O)C1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCC1 ZINC000435745412 943594993 /nfs/dbraw/zinc/59/49/93/943594993.db2.gz MNVBEMLGBUGDEO-AREMUKBSSA-N 1 0 368.502 3.528 20 30 FHEDRO N#Cc1c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cn2ccccc12 ZINC000511628977 943619790 /nfs/dbraw/zinc/61/97/90/943619790.db2.gz ZLUARLIMQRDJMR-FUPPJEDESA-N 1 0 357.457 3.815 20 30 FHEDRO Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H]([NH3+])CCCC#N)s1 ZINC000424068429 943706835 /nfs/dbraw/zinc/70/68/35/943706835.db2.gz SACAZIJEFBURFT-LJQANCHMSA-N 1 0 355.507 3.649 20 30 FHEDRO CCCc1ccc([C@H](NC(=O)[C@H]([NH3+])CCCC#N)c2cccs2)cc1 ZINC000424071045 943708615 /nfs/dbraw/zinc/70/86/15/943708615.db2.gz YYBAFXUXHQQQOG-MJGOQNOKSA-N 1 0 355.507 3.927 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000424082985 943721130 /nfs/dbraw/zinc/72/11/30/943721130.db2.gz MMTIJKXXRHIEOT-GFCCVEGCSA-N 1 0 368.384 3.789 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000424146538 943750039 /nfs/dbraw/zinc/75/00/39/943750039.db2.gz WPRICAABXLGAQJ-SFHVURJKSA-N 1 0 357.841 3.879 20 30 FHEDRO COc1ccccc1[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1Cl ZINC000424133578 943759291 /nfs/dbraw/zinc/75/92/91/943759291.db2.gz XMAWTFHBBZDJJU-HKUYNNGSSA-N 1 0 371.868 3.575 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000424171745 943774415 /nfs/dbraw/zinc/77/44/15/943774415.db2.gz LCDQPTMERGKLKP-QGTPRVQTSA-N 1 0 351.874 3.579 20 30 FHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000424255735 943809050 /nfs/dbraw/zinc/80/90/50/943809050.db2.gz UVPBXIDDXSTKFI-ZACQAIPSSA-N 1 0 363.575 3.589 20 30 FHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000424259341 943810057 /nfs/dbraw/zinc/81/00/57/943810057.db2.gz XQNVDPLPMFERMT-DLBZAZTESA-N 1 0 363.575 3.590 20 30 FHEDRO COCC[N@H+](CCc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437437900 943815127 /nfs/dbraw/zinc/81/51/27/943815127.db2.gz HRZLOLKXFUDHAH-UHFFFAOYSA-N 1 0 360.404 3.851 20 30 FHEDRO C[C@H](CC[NH3+])NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414906719 943864724 /nfs/dbraw/zinc/86/47/24/943864724.db2.gz PNXWQHDSKLZRRN-DYVFJYSZSA-N 1 0 356.857 3.854 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000506061533 943871962 /nfs/dbraw/zinc/87/19/62/943871962.db2.gz NSLBDIKBFIHMDP-NHCUHLMSSA-N 1 0 367.489 3.653 20 30 FHEDRO N#CCOc1cccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000077747685 943878729 /nfs/dbraw/zinc/87/87/29/943878729.db2.gz WCXIMLZHOYUMFD-HXUWFJFHSA-N 1 0 364.449 3.548 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000425424824 943886758 /nfs/dbraw/zinc/88/67/58/943886758.db2.gz NVEQKRURDIAAJU-QZTJIDSGSA-N 1 0 356.514 3.915 20 30 FHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000504921394 943899454 /nfs/dbraw/zinc/89/94/54/943899454.db2.gz WWGOCPMCHPIBCU-AWEZNQCLSA-N 1 0 368.868 3.780 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000436002197 943934382 /nfs/dbraw/zinc/93/43/82/943934382.db2.gz DQACDNDJAHFVQW-RYUDHWBXSA-N 1 0 357.317 3.750 20 30 FHEDRO CCCCCCCCCC(=O)N1CC[C@H]2C[N@H+](CCn3ccnc3)C[C@H]21 ZINC001270238331 943949569 /nfs/dbraw/zinc/94/95/69/943949569.db2.gz RCLUNQQYHUJFPH-VQTJNVASSA-N 1 0 360.546 3.557 20 30 FHEDRO C=CCCc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000505010136 943967582 /nfs/dbraw/zinc/96/75/82/943967582.db2.gz BWJHHUODRPFFHG-NHCUHLMSSA-N 1 0 371.525 3.695 20 30 FHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000517086077 943981364 /nfs/dbraw/zinc/98/13/64/943981364.db2.gz VSJUQDSRCUZBDY-CVEARBPZSA-N 1 0 367.474 3.887 20 30 FHEDRO C=CCC1(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000424572737 943989401 /nfs/dbraw/zinc/98/94/01/943989401.db2.gz HYRJCNHJQXNXFQ-OAQYLSRUSA-N 1 0 370.537 3.558 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000437642959 943992775 /nfs/dbraw/zinc/99/27/75/943992775.db2.gz BCGPZWLZBDEGPT-PXNSSMCTSA-N 1 0 364.555 3.866 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000436100170 944014780 /nfs/dbraw/zinc/01/47/80/944014780.db2.gz JFZARARQMWHAMX-FRRDWIJNSA-N 1 0 369.387 3.699 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000417971934 944026154 /nfs/dbraw/zinc/02/61/54/944026154.db2.gz BLIOWAIQSOLGMG-PZJWPPBQSA-N 1 0 362.477 3.542 20 30 FHEDRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417984220 944037041 /nfs/dbraw/zinc/03/70/41/944037041.db2.gz CXWZVUWKWXOZSY-IIBYNOLFSA-N 1 0 362.477 3.680 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417985034 944038165 /nfs/dbraw/zinc/03/81/65/944038165.db2.gz DVRIXIZUMIPOMM-XFQAVAEZSA-N 1 0 362.477 3.583 20 30 FHEDRO CCN(C(=O)c1cc(C#N)oc1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000436134305 944046411 /nfs/dbraw/zinc/04/64/11/944046411.db2.gz DDZVSPWNILUSDP-QAPCUYQASA-N 1 0 351.450 3.757 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417993321 944050976 /nfs/dbraw/zinc/05/09/76/944050976.db2.gz NSTSGVHPXYFXSD-ONGXBYRLSA-N 1 0 362.477 3.855 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417993770 944052332 /nfs/dbraw/zinc/05/23/32/944052332.db2.gz OIVBYPGCBHKGCF-LUQKVYGDSA-N 1 0 362.477 3.713 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000431969978 944066233 /nfs/dbraw/zinc/06/62/33/944066233.db2.gz GTDFZERHLDHNRQ-AZUAARDMSA-N 1 0 354.498 3.738 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)c(F)c1 ZINC000418036471 944083540 /nfs/dbraw/zinc/08/35/40/944083540.db2.gz WBWRJQRTCGGJBG-RBUKOAKNSA-N 1 0 363.452 3.756 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)c(F)c1 ZINC000418038157 944086512 /nfs/dbraw/zinc/08/65/12/944086512.db2.gz YEJSWBMIESSMOF-GJYPPUQNSA-N 1 0 363.452 3.613 20 30 FHEDRO C=CCC1(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CCOCC1 ZINC000424738115 944095665 /nfs/dbraw/zinc/09/56/65/944095665.db2.gz ONAHEFPWBXWXCY-IBGZPJMESA-N 1 0 362.558 3.862 20 30 FHEDRO C=CCC1(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424766883 944106059 /nfs/dbraw/zinc/10/60/59/944106059.db2.gz KLKAOHGTZWWTQY-FPOVZHCZSA-N 1 0 370.537 3.776 20 30 FHEDRO N#CC1(c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)cc2)CC1 ZINC000437855397 944175707 /nfs/dbraw/zinc/17/57/07/944175707.db2.gz XQUOMNSWPALUJE-HXUWFJFHSA-N 1 0 351.494 3.769 20 30 FHEDRO C[NH+]1CCC(C#N)(NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000518300072 944245378 /nfs/dbraw/zinc/24/53/78/944245378.db2.gz JYXCWLIGVDTRSQ-UHFFFAOYSA-N 1 0 373.500 3.685 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]Cc2cc(Br)cs2)O1 ZINC000364292463 944247795 /nfs/dbraw/zinc/24/77/95/944247795.db2.gz VJISJDKVYOTHRI-NMFUWQPSSA-N 1 0 355.301 3.840 20 30 FHEDRO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000426256050 944252565 /nfs/dbraw/zinc/25/25/65/944252565.db2.gz MNVVKEVXQMUKCN-JRGCBEDISA-N 1 0 369.509 3.723 20 30 FHEDRO N#CCCC[C@H](NC(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000418222377 944272052 /nfs/dbraw/zinc/27/20/52/944272052.db2.gz WXMQOXKCSFOEDQ-NRFANRHFSA-N 1 0 364.493 3.635 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000425536479 944283735 /nfs/dbraw/zinc/28/37/35/944283735.db2.gz OQRALKVTYFQDPK-IIBYNOLFSA-N 1 0 358.445 3.618 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000425543295 944294177 /nfs/dbraw/zinc/29/41/77/944294177.db2.gz ZDTZNWHZBONYBB-OAHLLOKOSA-N 1 0 350.418 3.595 20 30 FHEDRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000436409021 944298329 /nfs/dbraw/zinc/29/83/29/944298329.db2.gz IAGDEYBMVHAXAW-UHFFFAOYSA-N 1 0 357.429 3.800 20 30 FHEDRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)ccc1OCc1cccc(C#N)c1 ZINC000500233038 944301986 /nfs/dbraw/zinc/30/19/86/944301986.db2.gz QZTLSZFARVSGQR-JXFKEZNVSA-N 1 0 366.461 3.660 20 30 FHEDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000500236679 944316531 /nfs/dbraw/zinc/31/65/31/944316531.db2.gz BMZIYYFHHYLUSN-JOCHJYFZSA-N 1 0 361.489 3.949 20 30 FHEDRO N#C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000505821839 944321966 /nfs/dbraw/zinc/32/19/66/944321966.db2.gz RHNZMHVDHPKABM-UYAOXDASSA-N 1 0 367.880 3.933 20 30 FHEDRO N#Cc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1Cl ZINC000123403324 944357261 /nfs/dbraw/zinc/35/72/61/944357261.db2.gz DKQHLHCOMDZRGO-UHFFFAOYSA-N 1 0 360.870 3.906 20 30 FHEDRO CC[NH+]=C(NCC(C)(C)c1cccs1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261969947 944360661 /nfs/dbraw/zinc/36/06/61/944360661.db2.gz MOIQVXXJFYGVSQ-DLBZAZTESA-N 1 0 373.570 3.771 20 30 FHEDRO Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(C#N)cc1N(C)C ZINC000436500422 944366778 /nfs/dbraw/zinc/36/67/78/944366778.db2.gz VUAFGBNUDHSKKF-INIZCTEOSA-N 1 0 371.529 3.566 20 30 FHEDRO Cc1ccc(SC[C@H](C)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000517558323 944389658 /nfs/dbraw/zinc/38/96/58/944389658.db2.gz OQOYANFKVMPARY-PKOBYXMFSA-N 1 0 370.518 3.571 20 30 FHEDRO CCC(CC)(CNC(=O)c1ccc(C#N)c(C)n1)[NH2+][C@@H](C)c1ccccc1 ZINC000518455772 944408760 /nfs/dbraw/zinc/40/87/60/944408760.db2.gz NOKYFMWPGQERKA-KRWDZBQOSA-N 1 0 364.493 3.901 20 30 FHEDRO C=CCOc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC001125935927 944415898 /nfs/dbraw/zinc/41/58/98/944415898.db2.gz BNDPRTDDVMACCF-UHFFFAOYSA-N 1 0 370.468 3.523 20 30 FHEDRO COc1ccc(C[NH2+][C@@H](C)CN2CCC(C)CC2)cc1OCCCC#N ZINC000517588686 944421366 /nfs/dbraw/zinc/42/13/66/944421366.db2.gz PHQJRNVVOVGOFK-SFHVURJKSA-N 1 0 359.514 3.588 20 30 FHEDRO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)on1 ZINC000505848513 944425515 /nfs/dbraw/zinc/42/55/15/944425515.db2.gz UPGHEZIOKSSJSB-MRXNPFEDSA-N 1 0 358.829 3.674 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000516038644 944449728 /nfs/dbraw/zinc/44/97/28/944449728.db2.gz WCVBRPXBGURLHX-VXKWHMMOSA-N 1 0 350.462 3.625 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000518510492 944454807 /nfs/dbraw/zinc/45/48/07/944454807.db2.gz RSFHMOMSBSCHIP-KRWDZBQOSA-N 1 0 363.502 3.702 20 30 FHEDRO C[NH+](C)CC1(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000426323035 944457725 /nfs/dbraw/zinc/45/77/25/944457725.db2.gz LOSATTRNBKULIM-MRXNPFEDSA-N 1 0 367.415 3.898 20 30 FHEDRO Cc1oc(C(C)C)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000506202491 944476245 /nfs/dbraw/zinc/47/62/45/944476245.db2.gz IKVQKVAKZIRAKM-UHFFFAOYSA-N 1 0 353.466 3.787 20 30 FHEDRO CC[C@H](C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(C)c1 ZINC000500317010 944488859 /nfs/dbraw/zinc/48/88/59/944488859.db2.gz NQJYUHHJLFMONW-VSKRKVRLSA-N 1 0 361.489 3.629 20 30 FHEDRO C[C@H](Oc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000516091726 944490360 /nfs/dbraw/zinc/49/03/60/944490360.db2.gz BBKSLQQNHOTABU-KRWDZBQOSA-N 1 0 363.461 3.544 20 30 FHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000519571201 944503630 /nfs/dbraw/zinc/50/36/30/944503630.db2.gz JZPBCUNXMKPPDN-UHFFFAOYSA-N 1 0 374.382 3.825 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000047011123 944518395 /nfs/dbraw/zinc/51/83/95/944518395.db2.gz GASQCEXRYQEQDD-UHFFFAOYSA-N 1 0 372.472 3.553 20 30 FHEDRO Cc1cccc(C2=CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000092821952 944540763 /nfs/dbraw/zinc/54/07/63/944540763.db2.gz BBHGTGYHESQKJW-QFIPXVFZSA-N 1 0 362.473 3.590 20 30 FHEDRO N#CCCC1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000517735902 944547772 /nfs/dbraw/zinc/54/77/72/944547772.db2.gz AZVVMDOADOARSL-UHFFFAOYSA-N 1 0 368.308 3.668 20 30 FHEDRO CCCC1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000517736997 944548999 /nfs/dbraw/zinc/54/89/99/944548999.db2.gz GJQGQYDKXKBVDD-UHFFFAOYSA-N 1 0 370.541 3.990 20 30 FHEDRO C[C@H](OC[C@@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000566673856 944560204 /nfs/dbraw/zinc/56/02/04/944560204.db2.gz CTQRIXSSDHAFDC-UGSOOPFHSA-N 1 0 362.832 3.579 20 30 FHEDRO C[C@@H]1CCC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000516241838 944610997 /nfs/dbraw/zinc/61/09/97/944610997.db2.gz SHWQIEDDKXARHV-WIYYLYMNSA-N 1 0 368.525 3.602 20 30 FHEDRO C=C[C@@H]1CCCCN1C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000426016094 944622943 /nfs/dbraw/zinc/62/29/43/944622943.db2.gz HSSAHQAMGRATBC-CMKODMSKSA-N 1 0 355.526 3.893 20 30 FHEDRO CCOc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000438461763 944641875 /nfs/dbraw/zinc/64/18/75/944641875.db2.gz OZXWQVQWGTWQCT-UHFFFAOYSA-N 1 0 351.450 3.832 20 30 FHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418465137 944654197 /nfs/dbraw/zinc/65/41/97/944654197.db2.gz QCBJFZFOJFLUHK-HNNXBMFYSA-N 1 0 368.437 3.512 20 30 FHEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467405934 944656846 /nfs/dbraw/zinc/65/68/46/944656846.db2.gz ODVHNCFJETYCFE-OCCSQVGLSA-N 1 0 358.301 3.612 20 30 FHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000418467490 944663753 /nfs/dbraw/zinc/66/37/53/944663753.db2.gz AAPUXWDKILOGBV-DQLDELGASA-N 1 0 362.477 3.688 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCC1 ZINC000438521166 944725039 /nfs/dbraw/zinc/72/50/39/944725039.db2.gz ZPKJJCZRFSZPLM-UHFFFAOYSA-N 1 0 365.502 3.924 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000429801367 944730408 /nfs/dbraw/zinc/73/04/08/944730408.db2.gz LXWVJYQWZNFZMD-KGLIPLIRSA-N 1 0 355.507 3.932 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(-c2noc([C@@](C)(C#N)CC)n2)cc1OC ZINC000516343082 944744354 /nfs/dbraw/zinc/74/43/54/944744354.db2.gz LPTKRQXNCUTHIB-HXUWFJFHSA-N 1 0 372.469 3.657 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000473590539 944749041 /nfs/dbraw/zinc/74/90/41/944749041.db2.gz PYBBSCWFWGXXJQ-QFIPXVFZSA-N 1 0 358.526 3.908 20 30 FHEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc(C#N)c(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000509605454 944750960 /nfs/dbraw/zinc/75/09/60/944750960.db2.gz ZAFUHORKIWRIOJ-OXJNMPFZSA-N 1 0 371.916 3.855 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)C12CCCCC2 ZINC000516376653 944778887 /nfs/dbraw/zinc/77/88/87/944778887.db2.gz KMRVSNQUCIXLRL-AYOQOUSVSA-N 1 0 355.482 3.603 20 30 FHEDRO CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426768407 944787868 /nfs/dbraw/zinc/78/78/68/944787868.db2.gz YKGDKEFGNVAASN-UHFFFAOYSA-N 1 0 367.497 3.695 20 30 FHEDRO N#CCCC1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000517935881 944848209 /nfs/dbraw/zinc/84/82/09/944848209.db2.gz GYFZQANLQZGVNO-UHFFFAOYSA-N 1 0 354.376 3.712 20 30 FHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000438641521 944876898 /nfs/dbraw/zinc/87/68/98/944876898.db2.gz MIGNHHYQDJCFQA-QWHCGFSZSA-N 1 0 368.403 3.961 20 30 FHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438645229 944888969 /nfs/dbraw/zinc/88/89/69/944888969.db2.gz DHJXFNDAAXQPFC-STQMWFEESA-N 1 0 368.403 3.961 20 30 FHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438647986 944890530 /nfs/dbraw/zinc/89/05/30/944890530.db2.gz PPPWKWUODRLUKD-QWHCGFSZSA-N 1 0 368.403 3.819 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000518008509 944912866 /nfs/dbraw/zinc/91/28/66/944912866.db2.gz ZZKVCNWWRHVJNU-UHFFFAOYSA-N 1 0 370.266 3.750 20 30 FHEDRO CCCCCCCCC(=O)N1CCCC2(C[NH+](CCn3ccnc3)C2)C1 ZINC001270164221 944956285 /nfs/dbraw/zinc/95/62/85/944956285.db2.gz REMYDHMQPYTEPG-UHFFFAOYSA-N 1 0 360.546 3.558 20 30 FHEDRO N#Cc1ccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000426131030 944974080 /nfs/dbraw/zinc/97/40/80/944974080.db2.gz MTKPMBRCLWCPGB-UHFFFAOYSA-N 1 0 368.868 3.782 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000505954712 944977331 /nfs/dbraw/zinc/97/73/31/944977331.db2.gz PPQNZEOEIUWHLM-MRXNPFEDSA-N 1 0 358.486 3.589 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511742089 944984583 /nfs/dbraw/zinc/98/45/83/944984583.db2.gz KHJAONOGIMBWSF-NRFANRHFSA-N 1 0 361.489 3.897 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2C(C)C)c1C#N ZINC000140450167 944990752 /nfs/dbraw/zinc/99/07/52/944990752.db2.gz FALVROGCOKDKCN-IBGZPJMESA-N 1 0 368.481 3.677 20 30 FHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000426152670 945021368 /nfs/dbraw/zinc/02/13/68/945021368.db2.gz JDSYVEGMBUSFLK-MRXNPFEDSA-N 1 0 356.857 3.506 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2Cl)[NH+](C)C)cc1 ZINC000426150191 945026714 /nfs/dbraw/zinc/02/67/14/945026714.db2.gz DMZKURULYVTPKS-SFHVURJKSA-N 1 0 356.857 3.945 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C(C)(F)F)cc2)CC1 ZINC000432085328 945028034 /nfs/dbraw/zinc/02/80/34/945028034.db2.gz OKYOZNOQQQVWQS-UHFFFAOYSA-N 1 0 351.441 3.638 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437127328 945056649 /nfs/dbraw/zinc/05/66/49/945056649.db2.gz XRXDXJUQJVFTCW-DAYGRLMNSA-N 1 0 363.452 3.997 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1C(C)C ZINC000330172660 945387325 /nfs/dbraw/zinc/38/73/25/945387325.db2.gz GPLSXNKMRWWKKJ-IAGOWNOFSA-N 1 0 361.534 3.767 20 30 FHEDRO CC(C)c1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cnn1-c1ccccc1 ZINC000330172646 945387464 /nfs/dbraw/zinc/38/74/64/945387464.db2.gz GOXNIPCEFNKDJI-IEBWSBKVSA-N 1 0 367.497 3.948 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1C(C)C ZINC000330180998 945391055 /nfs/dbraw/zinc/39/10/55/945391055.db2.gz NRGAPMYNOSHSNW-FUHWJXTLSA-N 1 0 361.534 3.624 20 30 FHEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)NCc1ccccc1 ZINC000507631503 945392821 /nfs/dbraw/zinc/39/28/21/945392821.db2.gz ZLXPQJQCHPKCHS-FBHNJWQJSA-N 1 0 361.489 3.685 20 30 FHEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)cc1 ZINC000440318494 945415931 /nfs/dbraw/zinc/41/59/31/945415931.db2.gz SJBWOJSWTSFJQJ-DEOSSOPVSA-N 1 0 373.500 3.545 20 30 FHEDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1cccc(Br)c1 ZINC000330250186 945425232 /nfs/dbraw/zinc/42/52/32/945425232.db2.gz GSICNURFZYFZPN-FVQBIDKESA-N 1 0 365.271 3.584 20 30 FHEDRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330260572 945431204 /nfs/dbraw/zinc/43/12/04/945431204.db2.gz SSZAQMKYWKGDTJ-XYJFISCASA-N 1 0 360.498 3.850 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000181728732 945436439 /nfs/dbraw/zinc/43/64/39/945436439.db2.gz ORLZURGDUZQSFH-HXUWFJFHSA-N 1 0 361.489 3.679 20 30 FHEDRO C[NH+]1CCC(C)(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000507690516 945452666 /nfs/dbraw/zinc/45/26/66/945452666.db2.gz MILTZBPEXRZOIT-UHFFFAOYSA-N 1 0 363.461 3.812 20 30 FHEDRO C[C@@]1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCC[NH2+]C1 ZINC000415012289 945475771 /nfs/dbraw/zinc/47/57/71/945475771.db2.gz SDVWQZGEBMWICC-OAQYLSRUSA-N 1 0 364.449 3.862 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C(=O)N(C)CCC#N ZINC000511876617 945488470 /nfs/dbraw/zinc/48/84/70/945488470.db2.gz SHYXTNHYAXEEKP-JQFCIGGWSA-N 1 0 367.415 3.692 20 30 FHEDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000438062298 945488966 /nfs/dbraw/zinc/48/89/66/945488966.db2.gz NBZRUZFUYLBSIT-HNNXBMFYSA-N 1 0 352.438 3.812 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000519504739 945507720 /nfs/dbraw/zinc/50/77/20/945507720.db2.gz IGIXUJPMDRMTSH-QFIPXVFZSA-N 1 0 365.521 3.600 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000660801156 945514897 /nfs/dbraw/zinc/51/48/97/945514897.db2.gz ONOUKNBROOKBAW-AYWYSENESA-N 1 0 353.510 3.790 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(N3CCCCC3)nc2)cc1Cl ZINC000262016874 945519556 /nfs/dbraw/zinc/51/95/56/945519556.db2.gz WIVYDHGJOTUSNQ-UHFFFAOYSA-N 1 0 373.888 3.661 20 30 FHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1 ZINC000281217827 945557652 /nfs/dbraw/zinc/55/76/52/945557652.db2.gz TWBAHQTUUKDBPR-WBVHZDCISA-N 1 0 350.890 3.727 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661003388 945642500 /nfs/dbraw/zinc/64/25/00/945642500.db2.gz LFEZZTJZIGOLNE-ZIBCJSCZSA-N 1 0 353.510 3.790 20 30 FHEDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000519735096 945698019 /nfs/dbraw/zinc/69/80/19/945698019.db2.gz OLFGMLGDBOFGFX-PKTZIBPZSA-N 1 0 361.489 3.517 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]2CCC[C@H]21 ZINC000550071354 945709569 /nfs/dbraw/zinc/70/95/69/945709569.db2.gz YNYIFGOFZCNPKI-HZPDHXFCSA-N 1 0 357.523 3.948 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)c2cc(C#N)oc2C)[NH+](CC)CC)cc1 ZINC000519767417 945725032 /nfs/dbraw/zinc/72/50/32/945725032.db2.gz CBFPBLZZNQUPOJ-FQEVSTJZSA-N 1 0 353.466 3.835 20 30 FHEDRO N#Cc1cnc2c(Br)cccc2c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000440633571 945727212 /nfs/dbraw/zinc/72/72/12/945727212.db2.gz BLLLNBWHRLKVFY-UONOGXRCSA-N 1 0 371.282 3.908 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000661115810 945738445 /nfs/dbraw/zinc/73/84/45/945738445.db2.gz FDSGCRKSZNAWRK-HOCLYGCPSA-N 1 0 362.495 3.846 20 30 FHEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC000651711548 945741465 /nfs/dbraw/zinc/74/14/65/945741465.db2.gz MQXDLEYQPPJEOZ-LPHOPBHVSA-N 1 0 372.509 3.643 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000661119675 945745561 /nfs/dbraw/zinc/74/55/61/945745561.db2.gz VSTNESIOIBGFGS-GDBMZVCRSA-N 1 0 358.404 3.895 20 30 FHEDRO CCCCCCCCOC(=O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970510 945779244 /nfs/dbraw/zinc/77/92/44/945779244.db2.gz MCAAKFWFUPQYHV-IHWFROFDSA-N 1 0 350.547 3.885 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)nc1 ZINC000126655929 945783717 /nfs/dbraw/zinc/78/37/17/945783717.db2.gz HNADREYCVMIWCS-ZBFHGGJFSA-N 1 0 352.404 3.633 20 30 FHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2C1 ZINC000281629725 945792099 /nfs/dbraw/zinc/79/20/99/945792099.db2.gz QJCDAPRBOCJLHR-FQEVSTJZSA-N 1 0 372.472 3.851 20 30 FHEDRO CCN1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519830786 945792199 /nfs/dbraw/zinc/79/21/99/945792199.db2.gz AQQOLDDNZGATKS-OALUTQOASA-N 1 0 358.848 3.671 20 30 FHEDRO COc1cc(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)ccc1C#N ZINC000281694568 945815713 /nfs/dbraw/zinc/81/57/13/945815713.db2.gz NGVQJGARELUQPN-UHFFFAOYSA-N 1 0 364.367 3.936 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000044802708 945823189 /nfs/dbraw/zinc/82/31/89/945823189.db2.gz JTEVCLOJTZKNRA-CHWSQXEVSA-N 1 0 359.376 3.837 20 30 FHEDRO CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000550105732 945874163 /nfs/dbraw/zinc/87/41/63/945874163.db2.gz UVQPBSJXFCVOFC-GOSISDBHSA-N 1 0 350.466 3.687 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000519923860 945901911 /nfs/dbraw/zinc/90/19/11/945901911.db2.gz SIOCXCBIXCVZAA-RBUKOAKNSA-N 1 0 370.541 3.846 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)cc1 ZINC000111408174 945941968 /nfs/dbraw/zinc/94/19/68/945941968.db2.gz XMWFLTRARLXDKN-MRXNPFEDSA-N 1 0 356.267 3.689 20 30 FHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000579098114 945945728 /nfs/dbraw/zinc/94/57/28/945945728.db2.gz CDBLQCXHCGKORP-RBUKOAKNSA-N 1 0 354.498 3.519 20 30 FHEDRO C[NH+](C)[C@H](CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000416169486 946029600 /nfs/dbraw/zinc/02/96/00/946029600.db2.gz FFWBNBZDSWDSQZ-BHIFYINESA-N 1 0 361.489 3.978 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1Cl ZINC000262506367 946056594 /nfs/dbraw/zinc/05/65/94/946056594.db2.gz BORSJOFUNWRZBM-LRDDRELGSA-N 1 0 353.894 3.917 20 30 FHEDRO CC1CCC([N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H]2CCCO2)CC1 ZINC000444206199 946075140 /nfs/dbraw/zinc/07/51/40/946075140.db2.gz PITLCLBKHUZCHQ-FBPXKMNZSA-N 1 0 369.509 3.947 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)CCC[NH2+]1 ZINC000662826821 946076675 /nfs/dbraw/zinc/07/66/75/946076675.db2.gz MTTGUONJAXXYGQ-NRFANRHFSA-N 1 0 353.441 3.621 20 30 FHEDRO CSCCC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925095973 946109173 /nfs/dbraw/zinc/10/91/73/946109173.db2.gz XDUMVTSYRFNCQI-OAHLLOKOSA-N 1 0 355.548 3.649 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000121336738 946121059 /nfs/dbraw/zinc/12/10/59/946121059.db2.gz RKOKEIYOSQPBMF-UHFFFAOYSA-N 1 0 364.445 3.897 20 30 FHEDRO [NH2+]=C(NC[C@H]1CCOc2ccccc21)Nc1cccc(OC(F)(F)F)c1 ZINC000262415905 946158774 /nfs/dbraw/zinc/15/87/74/946158774.db2.gz YXAANVKBDSDJRA-GFCCVEGCSA-N 1 0 365.355 3.878 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2ccnc3cc(Br)cnc32)CC1 ZINC000302235756 946190803 /nfs/dbraw/zinc/19/08/03/946190803.db2.gz ILIDTBJDSHRWEI-UHFFFAOYSA-N 1 0 361.287 3.845 20 30 FHEDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000522986558 946205449 /nfs/dbraw/zinc/20/54/49/946205449.db2.gz HXEFWRQRSZCROL-QGZVFWFLSA-N 1 0 350.503 3.531 20 30 FHEDRO CCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000520171697 946224720 /nfs/dbraw/zinc/22/47/20/946224720.db2.gz ZJDZIMKOHKMKGS-UGKGYDQZSA-N 1 0 350.462 3.697 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000236727512 946224781 /nfs/dbraw/zinc/22/47/81/946224781.db2.gz LFBXQLMGEBJIQW-SFHVURJKSA-N 1 0 358.482 3.578 20 30 FHEDRO Cc1cccc(OC[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000520173840 946226909 /nfs/dbraw/zinc/22/69/09/946226909.db2.gz DMPNARORTVBZDJ-NRFANRHFSA-N 1 0 352.478 3.765 20 30 FHEDRO Cc1cccc(OC[C@H](O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000520173841 946227887 /nfs/dbraw/zinc/22/78/87/946227887.db2.gz DMPNARORTVBZDJ-OAQYLSRUSA-N 1 0 352.478 3.765 20 30 FHEDRO C=CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000661570532 946286516 /nfs/dbraw/zinc/28/65/16/946286516.db2.gz GYKCZMUZEOZTRG-DOTOQJQBSA-N 1 0 369.431 3.964 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)CC1 ZINC000108931263 946325940 /nfs/dbraw/zinc/32/59/40/946325940.db2.gz URFZSRWTOCICGW-UHFFFAOYSA-N 1 0 353.491 3.711 20 30 FHEDRO C[C@](C#N)(NC(=O)C[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1)C1CC1 ZINC000441174860 946335336 /nfs/dbraw/zinc/33/53/36/946335336.db2.gz FEMVILIVSZJEAT-FWWKFRTMSA-N 1 0 351.494 3.753 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCSCC3)CCCCC1)CC2 ZINC000520294251 946372750 /nfs/dbraw/zinc/37/27/50/946372750.db2.gz ZEMXELWKCZTIHR-FQEVSTJZSA-N 1 0 355.551 3.887 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cccc(CO)c2)c1 ZINC000066905988 946494188 /nfs/dbraw/zinc/49/41/88/946494188.db2.gz VTZUOMWAKKZJTM-UHFFFAOYSA-N 1 0 358.441 3.919 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000179067150 946501655 /nfs/dbraw/zinc/50/16/55/946501655.db2.gz WFLXYTWCEUKSMU-IZZDOVSWSA-N 1 0 351.494 3.731 20 30 FHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441349627 946501795 /nfs/dbraw/zinc/50/17/95/946501795.db2.gz PLRBUMOBZDNHBX-IIBYNOLFSA-N 1 0 362.477 3.788 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000473898904 946506858 /nfs/dbraw/zinc/50/68/58/946506858.db2.gz XEZZNWHUZQPMSS-UTKZUKDTSA-N 1 0 360.498 3.575 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1nc2c(s1)CCCC2 ZINC000093404723 946540247 /nfs/dbraw/zinc/54/02/47/946540247.db2.gz KKKBXSZQSJNGKT-CQSZACIVSA-N 1 0 367.522 3.608 20 30 FHEDRO FC1(F)[C@@H]2C[NH+](CCC[C@@H]3CCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897055952 946542317 /nfs/dbraw/zinc/54/23/17/946542317.db2.gz RVADBKJKWBHTDE-OPRDCNLKSA-N 1 0 367.280 3.658 20 30 FHEDRO C#CCCOc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121313017 946549491 /nfs/dbraw/zinc/54/94/91/946549491.db2.gz DIRLZQIRRSOBCR-UHFFFAOYSA-N 1 0 364.489 3.557 20 30 FHEDRO N#CC[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC001126130157 946552660 /nfs/dbraw/zinc/55/26/60/946552660.db2.gz UGSQMUIZEIRGBX-LJQANCHMSA-N 1 0 371.550 3.552 20 30 FHEDRO CCCCC[N@H+](Cc1ccc(F)cc1)Cc1cnc2c(C#N)cnn2c1 ZINC000520408482 946554206 /nfs/dbraw/zinc/55/42/06/946554206.db2.gz VJLJOIPZMDCHPX-UHFFFAOYSA-N 1 0 351.429 3.932 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000520421776 946568180 /nfs/dbraw/zinc/56/81/80/946568180.db2.gz CEOKUINUVPUOQX-HLIPFELVSA-N 1 0 371.550 3.655 20 30 FHEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000303406227 946575258 /nfs/dbraw/zinc/57/52/58/946575258.db2.gz RDVWLVDBVSVUCF-QGZVFWFLSA-N 1 0 361.493 3.801 20 30 FHEDRO [NH2+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@H]1CCOc2ccccc21 ZINC000262525608 946651921 /nfs/dbraw/zinc/65/19/21/946651921.db2.gz KULCGLOJVHAHDK-SFHVURJKSA-N 1 0 368.868 3.792 20 30 FHEDRO [NH2+]=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)NCC1CCC1 ZINC000262462118 946689810 /nfs/dbraw/zinc/68/98/10/946689810.db2.gz XUEWNCUMEPCFCJ-MRXNPFEDSA-N 1 0 354.523 3.620 20 30 FHEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000475206154 946721609 /nfs/dbraw/zinc/72/16/09/946721609.db2.gz NARNBELDUXIGDX-PCCBWWKXSA-N 1 0 353.510 3.854 20 30 FHEDRO CCOc1cc2c(cc1C[NH2+]Cc1ccc(OC)c(C#N)c1)O[C@@H](C)C2 ZINC000236873817 946733826 /nfs/dbraw/zinc/73/38/26/946733826.db2.gz OIOFWVVYDXJJPW-AWEZNQCLSA-N 1 0 352.434 3.579 20 30 FHEDRO Cc1cccc(NC(=[NH2+])NC[C@@H](C)Oc2ccccc2Br)c1 ZINC000304688888 946787749 /nfs/dbraw/zinc/78/77/49/946787749.db2.gz GSUXRDROXZEHLX-CYBMUJFWSA-N 1 0 362.271 3.952 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC=C(c3c(F)cccc3F)CC2)cc1 ZINC000473153617 946822443 /nfs/dbraw/zinc/82/24/43/946822443.db2.gz WOCWJSMYWKZGDR-UHFFFAOYSA-N 1 0 367.399 3.954 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000895041053 946922671 /nfs/dbraw/zinc/92/26/71/946922671.db2.gz FOVOHXHVMDOKBQ-QUCCMNQESA-N 1 0 356.514 3.795 20 30 FHEDRO C=CCOc1cccc(NC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000114811925 946939097 /nfs/dbraw/zinc/93/90/97/946939097.db2.gz DXFXWDIPIROWON-KRWDZBQOSA-N 1 0 366.465 3.557 20 30 FHEDRO C[C@]1(c2ccccc2)CCCN(C(=O)NC[C@@H]2CCCn3ccnc32)C1 ZINC000328618018 946957818 /nfs/dbraw/zinc/95/78/18/946957818.db2.gz USUHVMDAVPBWCM-UWJYYQICSA-N 1 0 352.482 3.728 20 30 FHEDRO Cc1cnc([C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000328618842 946959557 /nfs/dbraw/zinc/95/95/57/946959557.db2.gz VLTSTDCDPCVCHL-PBHICJAKSA-N 1 0 364.559 3.856 20 30 FHEDRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328723673 946982933 /nfs/dbraw/zinc/98/29/33/946982933.db2.gz APBIYIWCDMMSDD-BQFCYCMXSA-N 1 0 360.498 3.850 20 30 FHEDRO Cc1nn(C)c2ncc(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)cc12 ZINC000328703339 946996295 /nfs/dbraw/zinc/99/62/95/946996295.db2.gz KCDYNJUNUGXHCJ-UHFFFAOYSA-N 1 0 369.513 3.628 20 30 FHEDRO C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000328774121 947021834 /nfs/dbraw/zinc/02/18/34/947021834.db2.gz KENZLYUKKHZCRS-QGZVFWFLSA-N 1 0 363.546 3.636 20 30 FHEDRO CN(C)[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000237165128 947026518 /nfs/dbraw/zinc/02/65/18/947026518.db2.gz CVSRSCBJWMLCQA-NRFANRHFSA-N 1 0 355.457 3.901 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000432271312 947032538 /nfs/dbraw/zinc/03/25/38/947032538.db2.gz QKGHAWXHQNHKRX-MRXNPFEDSA-N 1 0 350.466 3.899 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328813224 947033691 /nfs/dbraw/zinc/03/36/91/947033691.db2.gz BRFJTXHSUBVMLB-PCBZQSKQSA-N 1 0 359.514 3.787 20 30 FHEDRO COC(=O)c1ccc(N2CC[N@H+](CCCCC(C)(C)C#N)[C@H](C)C2)cc1 ZINC000444607278 947033823 /nfs/dbraw/zinc/03/38/23/947033823.db2.gz IHEFTFUQXMGKRN-QGZVFWFLSA-N 1 0 357.498 3.704 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328819419 947037188 /nfs/dbraw/zinc/03/71/88/947037188.db2.gz HIASXSLUKTYBHK-CZUORRHYSA-N 1 0 361.873 3.937 20 30 FHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000328821773 947038516 /nfs/dbraw/zinc/03/85/16/947038516.db2.gz FVXXURKFUJPDIF-KGLIPLIRSA-N 1 0 369.460 3.581 20 30 FHEDRO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CCCCC1 ZINC000328824567 947041323 /nfs/dbraw/zinc/04/13/23/947041323.db2.gz RPECOMDCGBEXJG-QGZVFWFLSA-N 1 0 365.481 3.684 20 30 FHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1coc(C2CCOCC2)n1 ZINC000328785294 947046145 /nfs/dbraw/zinc/04/61/45/947046145.db2.gz IRCMYYWNXFXMQP-UHFFFAOYSA-N 1 0 363.502 3.918 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000328829324 947053959 /nfs/dbraw/zinc/05/39/59/947053959.db2.gz UCXZFLSMEZEUOJ-HUUCEWRRSA-N 1 0 363.527 3.667 20 30 FHEDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000328836971 947057962 /nfs/dbraw/zinc/05/79/62/947057962.db2.gz NACFEPYIIYIBGA-ZAXTYVKMSA-N 1 0 360.502 3.513 20 30 FHEDRO COc1ccc(CNC(=O)C2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000444648724 947069012 /nfs/dbraw/zinc/06/90/12/947069012.db2.gz KDOZAVVAPUJNMV-UHFFFAOYSA-N 1 0 371.525 3.743 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@H]3CCCC3(C)C)cc2)CC1 ZINC000328886477 947082285 /nfs/dbraw/zinc/08/22/85/947082285.db2.gz OXFKXWFTLAFKAX-IBGZPJMESA-N 1 0 359.514 3.742 20 30 FHEDRO C=CCn1c(SCC[NH+]2CCC(C)CC2)nnc1-c1cccc(OC)c1 ZINC000428342813 947084986 /nfs/dbraw/zinc/08/49/86/947084986.db2.gz CHSXSCVHTAOCBG-UHFFFAOYSA-N 1 0 372.538 3.964 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000444645084 947087291 /nfs/dbraw/zinc/08/72/91/947087291.db2.gz WVFBTAZOKUMSEY-PKOBYXMFSA-N 1 0 371.525 3.874 20 30 FHEDRO O=C(COc1ccsc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000328900089 947087834 /nfs/dbraw/zinc/08/78/34/947087834.db2.gz XZFUVZCYDXLJPR-ZIAGYGMSSA-N 1 0 372.918 3.505 20 30 FHEDRO C[N@H+](CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)C1CCCCC1 ZINC000328913052 947106006 /nfs/dbraw/zinc/10/60/06/947106006.db2.gz PHSPJPMCWQQWJK-LJQANCHMSA-N 1 0 357.498 3.512 20 30 FHEDRO Cc1nc(COc2ccccc2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cs1 ZINC000328923169 947110216 /nfs/dbraw/zinc/11/02/16/947110216.db2.gz MYVHHNNFTDOBEH-QZTJIDSGSA-N 1 0 371.506 3.962 20 30 FHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444699659 947124424 /nfs/dbraw/zinc/12/44/24/947124424.db2.gz DOHGSRYFARRJGQ-SFHVURJKSA-N 1 0 365.477 3.678 20 30 FHEDRO CC(C)(C)c1nc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000328964351 947127220 /nfs/dbraw/zinc/12/72/20/947127220.db2.gz RQVONYMWNNVEEL-CVEARBPZSA-N 1 0 365.543 3.513 20 30 FHEDRO CC(C)OC[C@H](CO)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444709584 947137771 /nfs/dbraw/zinc/13/77/71/947137771.db2.gz SWHDSFDSWPOMDJ-QFIPXVFZSA-N 1 0 366.505 3.604 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000049799060 947158138 /nfs/dbraw/zinc/15/81/38/947158138.db2.gz VVKIVGPNAHHNQS-IBGZPJMESA-N 1 0 373.522 3.757 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)[C@H](C)C1 ZINC000330501605 947202853 /nfs/dbraw/zinc/20/28/53/947202853.db2.gz VBBGGZJKUGMQPY-HIFRSBDPSA-N 1 0 371.476 3.684 20 30 FHEDRO C=CC[C@@H]1[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCCC1(C)C ZINC000444778113 947214094 /nfs/dbraw/zinc/21/40/94/947214094.db2.gz HNGCGNIIUZXJEC-FPOVZHCZSA-N 1 0 369.553 3.696 20 30 FHEDRO COc1ccc(C2([NH2+]Cc3ccc(CC#N)cc3)CCOCC2)cc1F ZINC000444817456 947252981 /nfs/dbraw/zinc/25/29/81/947252981.db2.gz MCPRUNMPCSIIFG-UHFFFAOYSA-N 1 0 354.425 3.696 20 30 FHEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1ncc(C)c(OC)c1C ZINC000051756022 947262862 /nfs/dbraw/zinc/26/28/62/947262862.db2.gz YLKJZEQHVSWNCP-UHFFFAOYSA-N 1 0 357.429 3.744 20 30 FHEDRO CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000247206819 947264065 /nfs/dbraw/zinc/26/40/65/947264065.db2.gz RJGQMPPHUFRRLW-LSNYBQGISA-N 1 0 363.546 3.587 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc([S@](C)=O)c2)C1 ZINC000330797879 947277328 /nfs/dbraw/zinc/27/73/28/947277328.db2.gz CJYYFKDKLKZTFA-BZQUYTCOSA-N 1 0 365.543 3.651 20 30 FHEDRO CC(C)Cn1ncc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1C(F)F ZINC000330903553 947308000 /nfs/dbraw/zinc/30/80/00/947308000.db2.gz YJTPWIOIVCZXMJ-ZDUSSCGKSA-N 1 0 371.476 3.684 20 30 FHEDRO CO[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000330934120 947323179 /nfs/dbraw/zinc/32/31/79/947323179.db2.gz HDTRLGCJCJYROR-QGZVFWFLSA-N 1 0 367.921 3.794 20 30 FHEDRO N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)CCOCC1 ZINC000599331730 947325276 /nfs/dbraw/zinc/32/52/76/947325276.db2.gz LGUDZSKLTMKDEN-LPHOPBHVSA-N 1 0 364.436 3.563 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000840876042 947327776 /nfs/dbraw/zinc/32/77/76/947327776.db2.gz IZEAKDQOMYTMOS-AWEZNQCLSA-N 1 0 359.919 3.682 20 30 FHEDRO C=CCNC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc1 ZINC000301405836 947329072 /nfs/dbraw/zinc/32/90/72/947329072.db2.gz GPGXXLHAFXSITI-HNAYVOBHSA-N 1 0 370.522 3.554 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000331004097 947331197 /nfs/dbraw/zinc/33/11/97/947331197.db2.gz YHDCPSZGXPPUAV-ZDUSSCGKSA-N 1 0 364.559 3.841 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nc(C(C)C)nc2SC)CC1 ZINC000331038437 947334693 /nfs/dbraw/zinc/33/46/93/947334693.db2.gz OQYOIKCJDIDQOW-UHFFFAOYSA-N 1 0 362.543 3.975 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1OC(F)F ZINC000331106851 947347810 /nfs/dbraw/zinc/34/78/10/947347810.db2.gz ABTBMBYEIDCBIF-MJBXVCDLSA-N 1 0 355.429 3.725 20 30 FHEDRO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000523543987 947358558 /nfs/dbraw/zinc/35/85/58/947358558.db2.gz LDAUBLNBHINYJE-QFIPXVFZSA-N 1 0 358.485 3.644 20 30 FHEDRO CC(C)c1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(C(C)C)c1 ZINC000331156013 947359407 /nfs/dbraw/zinc/35/94/07/947359407.db2.gz DHKPAQNASPDLOA-IAGOWNOFSA-N 1 0 361.530 3.866 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000440607542 947359546 /nfs/dbraw/zinc/35/95/46/947359546.db2.gz FECRWQSQHWBKJA-ICSRJNTNSA-N 1 0 355.869 3.755 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1C(C)C ZINC000331129250 947364053 /nfs/dbraw/zinc/36/40/53/947364053.db2.gz SGCYADUPAFNRGN-SFHVURJKSA-N 1 0 363.550 3.870 20 30 FHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000331230047 947366084 /nfs/dbraw/zinc/36/60/84/947366084.db2.gz CWMZJXTVZYOOFW-CQSZACIVSA-N 1 0 354.376 3.539 20 30 FHEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000331244649 947380792 /nfs/dbraw/zinc/38/07/92/947380792.db2.gz QTHNKJCRMHVDEK-QGZVFWFLSA-N 1 0 360.502 3.695 20 30 FHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000248382725 947389185 /nfs/dbraw/zinc/38/91/85/947389185.db2.gz XXAOIBAFUDZKSZ-SFHVURJKSA-N 1 0 369.509 3.631 20 30 FHEDRO C=CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000523605616 947411462 /nfs/dbraw/zinc/41/14/62/947411462.db2.gz FIFIBMATOPTBMO-UHFFFAOYSA-N 1 0 355.251 3.815 20 30 FHEDRO C[C@H]1[C@H](Nc2c(C#N)cnc3c(Br)cccc32)CCC[N@@H+]1C ZINC000440645202 947481021 /nfs/dbraw/zinc/48/10/21/947481021.db2.gz CUBXCDOZQPGZFY-XHDPSFHLSA-N 1 0 359.271 3.764 20 30 FHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc(C)nn2CCC#N)cc1 ZINC000523698737 947526177 /nfs/dbraw/zinc/52/61/77/947526177.db2.gz XJUMFBHMZGFATH-UHFFFAOYSA-N 1 0 353.470 3.589 20 30 FHEDRO C[NH+](C)CCN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000567965792 947542066 /nfs/dbraw/zinc/54/20/66/947542066.db2.gz BYORDYNZCBPYOW-ALCCZGGFSA-N 1 0 364.449 3.543 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCC[C@@H](C)C2)cc1OCCCC#N ZINC000237168858 947634246 /nfs/dbraw/zinc/63/42/46/947634246.db2.gz NZQMDPFDACXHTP-QZTJIDSGSA-N 1 0 359.514 3.588 20 30 FHEDRO CC[C@H](Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccc(C#N)cc1 ZINC000278860850 947641565 /nfs/dbraw/zinc/64/15/65/947641565.db2.gz WGODVVNMSJFKKF-SFTDATJTSA-N 1 0 362.477 3.571 20 30 FHEDRO C=C(C)CCNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000459001778 947755305 /nfs/dbraw/zinc/75/53/05/947755305.db2.gz NFNXKUPADKSMES-UHFFFAOYSA-N 1 0 357.420 3.745 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000459014905 947813894 /nfs/dbraw/zinc/81/38/94/947813894.db2.gz PTKGFBPMCXULKG-HOJAQTOUSA-N 1 0 360.546 3.755 20 30 FHEDRO CN(C(=O)CC[NH2+]CC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000663357105 947840777 /nfs/dbraw/zinc/84/07/77/947840777.db2.gz ATNWQNIYHGRCIJ-UHFFFAOYSA-N 1 0 360.379 3.700 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)CCC[NH2+]1 ZINC000662473471 947842572 /nfs/dbraw/zinc/84/25/72/947842572.db2.gz KOVBHMQUECLXTG-NRFANRHFSA-N 1 0 357.498 3.586 20 30 FHEDRO C=CC[C@]1(C(=O)NCc2cccc(COCc3ccccc3)c2)CCC[NH2+]1 ZINC000662480555 947850027 /nfs/dbraw/zinc/85/00/27/947850027.db2.gz LIQBUGNUDRYQMG-HSZRJFAPSA-N 1 0 364.489 3.718 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)CCC[NH2+]1 ZINC000662485022 947855240 /nfs/dbraw/zinc/85/52/40/947855240.db2.gz OVZRQTJJYZKOLY-KSFYIVLOSA-N 1 0 372.509 3.892 20 30 FHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000066954412 947876728 /nfs/dbraw/zinc/87/67/28/947876728.db2.gz FVEUVAUOOUETJF-HOTGVXAUSA-N 1 0 360.527 3.933 20 30 FHEDRO CC[NH+]1CCC(CNC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000066955034 947877642 /nfs/dbraw/zinc/87/76/42/947877642.db2.gz MEKGBTNKLJAGDD-OAHLLOKOSA-N 1 0 360.527 3.934 20 30 FHEDRO [NH3+]C1(CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCC1 ZINC000662513881 947886439 /nfs/dbraw/zinc/88/64/39/947886439.db2.gz BMJCZYVAYVIGBD-UHFFFAOYSA-N 1 0 372.284 3.587 20 30 FHEDRO CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459023190 947894710 /nfs/dbraw/zinc/89/47/10/947894710.db2.gz YRXXFJJQQQRBBF-ZFMNYDKASA-N 1 0 368.525 3.936 20 30 FHEDRO CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459023182 947895106 /nfs/dbraw/zinc/89/51/06/947895106.db2.gz YRXXFJJQQQRBBF-JYAXBFRTSA-N 1 0 368.525 3.936 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000662529820 947897380 /nfs/dbraw/zinc/89/73/80/947897380.db2.gz HMYFQSRNEUZZGL-DYVFJYSZSA-N 1 0 356.388 3.503 20 30 FHEDRO C=CC[C@]1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)CCC[NH2+]1 ZINC000662573332 947909285 /nfs/dbraw/zinc/90/92/85/947909285.db2.gz SNEJTWJHHFTEFW-GOSISDBHSA-N 1 0 352.400 3.552 20 30 FHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(C#N)c1 ZINC000278875376 947939153 /nfs/dbraw/zinc/93/91/53/947939153.db2.gz NKCZKUMOBOUCMB-GOSISDBHSA-N 1 0 365.452 3.682 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CCC[NH2+]1 ZINC000662644013 947956792 /nfs/dbraw/zinc/95/67/92/947956792.db2.gz TZDLPUYXYRKMQW-NRFANRHFSA-N 1 0 355.482 3.842 20 30 FHEDRO C=CC[C@@]1(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)CCC[NH2+]1 ZINC000662645577 947957781 /nfs/dbraw/zinc/95/77/81/947957781.db2.gz KUHFOVWSDDDBLH-IBGZPJMESA-N 1 0 359.857 3.618 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCC(c3nc4ccccc4s3)CC2)CCC[NH2+]1 ZINC000662663161 947970007 /nfs/dbraw/zinc/97/00/07/947970007.db2.gz LVYWXDHIHHIEQD-HXUWFJFHSA-N 1 0 355.507 3.701 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)CCC[NH2+]1 ZINC000662694062 947985100 /nfs/dbraw/zinc/98/51/00/947985100.db2.gz UGKREYDQIFXLFF-OAQYLSRUSA-N 1 0 350.466 3.523 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180155674 948053136 /nfs/dbraw/zinc/05/31/36/948053136.db2.gz FZAUVLMAESFHTO-IAGOWNOFSA-N 1 0 353.510 3.728 20 30 FHEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000643404855 948072157 /nfs/dbraw/zinc/07/21/57/948072157.db2.gz NGGAEWVMGQMIPV-KGLIPLIRSA-N 1 0 354.288 3.663 20 30 FHEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000643404856 948072322 /nfs/dbraw/zinc/07/23/22/948072322.db2.gz NGGAEWVMGQMIPV-UONOGXRCSA-N 1 0 354.288 3.663 20 30 FHEDRO C[NH+](C)C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000549616387 948072632 /nfs/dbraw/zinc/07/26/32/948072632.db2.gz AXRZERIYTOOSCD-IBGZPJMESA-N 1 0 355.869 3.563 20 30 FHEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1cccc(C#N)c1 ZINC000066971961 948107018 /nfs/dbraw/zinc/10/70/18/948107018.db2.gz VRHVZGDFLQAZQM-UHFFFAOYSA-N 1 0 352.388 3.929 20 30 FHEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000180977613 948148495 /nfs/dbraw/zinc/14/84/95/948148495.db2.gz DQOAKZGYWWWJAY-MSOLQXFVSA-N 1 0 371.525 3.718 20 30 FHEDRO C[NH+](C)CCCOC1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000167010029 948377036 /nfs/dbraw/zinc/37/70/36/948377036.db2.gz OTKBXKXXQGEHMK-UHFFFAOYSA-N 1 0 355.404 3.514 20 30 FHEDRO C=CCOc1cccc(CN2CCN(Cc3csc(CC)n3)CC2)c1 ZINC000512082395 948381254 /nfs/dbraw/zinc/38/12/54/948381254.db2.gz DYHRVQWLHVZGEF-UHFFFAOYSA-N 1 0 357.523 3.588 20 30 FHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000614629272 948442375 /nfs/dbraw/zinc/44/23/75/948442375.db2.gz YTSOMTJPQYRSGS-MRXNPFEDSA-N 1 0 367.880 3.948 20 30 FHEDRO CC(C)C[C@H](CNc1ccc(C#N)cc1C(F)(F)F)[NH+]1CCOCC1 ZINC000520629902 948447495 /nfs/dbraw/zinc/44/74/95/948447495.db2.gz NHOXWKVMOUMDTL-OAHLLOKOSA-N 1 0 355.404 3.736 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1 ZINC000441651927 948456206 /nfs/dbraw/zinc/45/62/06/948456206.db2.gz ZJDDTLFLBINJMZ-UHFFFAOYSA-N 1 0 372.513 3.859 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000549626949 948485055 /nfs/dbraw/zinc/48/50/55/948485055.db2.gz VXYUAGASSLFRES-KPQYALRZSA-N 1 0 359.473 3.835 20 30 FHEDRO CN(C(=O)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000520698224 948604083 /nfs/dbraw/zinc/60/40/83/948604083.db2.gz JBVDLMXUUWOKDF-HXUWFJFHSA-N 1 0 353.510 3.626 20 30 FHEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C12CCCCC2 ZINC000279213228 948624356 /nfs/dbraw/zinc/62/43/56/948624356.db2.gz HDBMEHHOJJLCMU-MSOLQXFVSA-N 1 0 366.465 3.826 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000507802634 948632172 /nfs/dbraw/zinc/63/21/72/948632172.db2.gz VZUJXQBLWYAHAN-UHFFFAOYSA-N 1 0 358.445 3.787 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000106562922 948709028 /nfs/dbraw/zinc/70/90/28/948709028.db2.gz MMNHTXLRNQWUMN-CQSZACIVSA-N 1 0 364.559 3.841 20 30 FHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000438640280 948767549 /nfs/dbraw/zinc/76/75/49/948767549.db2.gz GDZVSXPKGHMDMI-STQMWFEESA-N 1 0 368.403 3.819 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549639637 948781898 /nfs/dbraw/zinc/78/18/98/948781898.db2.gz PBVCVPDPNZMCHX-SFHVURJKSA-N 1 0 357.546 3.680 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000047671737 205149351 /nfs/dbraw/zinc/14/93/51/205149351.db2.gz IXSCJVMUNPKQND-UHFFFAOYSA-N 1 0 356.857 3.807 20 30 FHEDRO N#CCOc1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)cc1 ZINC000185464092 567844826 /nfs/dbraw/zinc/84/48/26/567844826.db2.gz GLFKXYINXYBIRC-UHFFFAOYSA-N 1 0 373.250 3.576 20 30 FHEDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000601935042 567880197 /nfs/dbraw/zinc/88/01/97/567880197.db2.gz OUGKCZBUIITZMN-CHWSQXEVSA-N 1 0 360.458 3.577 20 30 FHEDRO C[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568112595 567888576 /nfs/dbraw/zinc/88/85/76/567888576.db2.gz BHIUJOWWUMSZPR-CQSZACIVSA-N 1 0 353.853 3.987 20 30 FHEDRO CCC1([NH+](C)C)CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000602318142 567966834 /nfs/dbraw/zinc/96/68/34/567966834.db2.gz ITKSUZPVLWTTRP-IBGZPJMESA-N 1 0 356.514 3.937 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000186688273 567969587 /nfs/dbraw/zinc/96/95/87/567969587.db2.gz SRQANVUQMVQUPN-UHFFFAOYSA-N 1 0 366.427 3.795 20 30 FHEDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)N1CCCC1 ZINC000602498379 567983634 /nfs/dbraw/zinc/98/36/34/567983634.db2.gz JOWDPIKCPFEHRC-AZUAARDMSA-N 1 0 371.525 3.521 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000602492138 567986295 /nfs/dbraw/zinc/98/62/95/567986295.db2.gz SDSPGHFZUQLOQI-GOSISDBHSA-N 1 0 373.566 3.789 20 30 FHEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602515768 567986630 /nfs/dbraw/zinc/98/66/30/567986630.db2.gz ZGGBUYFKUJXVHP-QGZVFWFLSA-N 1 0 366.509 3.737 20 30 FHEDRO CCOc1c(Cl)cc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602517663 567986786 /nfs/dbraw/zinc/98/67/86/567986786.db2.gz IWIMANGTCZISKX-CQSZACIVSA-N 1 0 366.889 3.936 20 30 FHEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cc2c(cc1Br)OCCO2 ZINC000602520991 567987305 /nfs/dbraw/zinc/98/73/05/567987305.db2.gz LRYNWDNQEJEFIZ-PNESKVBLSA-N 1 0 365.271 3.953 20 30 FHEDRO Cc1ccc([C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N2CCCC2)cc1 ZINC000602532109 567988886 /nfs/dbraw/zinc/98/88/86/567988886.db2.gz KCJSWJSYJMGWRW-TZIWHRDSSA-N 1 0 355.526 3.821 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000602509175 567989081 /nfs/dbraw/zinc/98/90/81/567989081.db2.gz CKERLJFJPHNCFE-AWEZNQCLSA-N 1 0 364.873 3.690 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(Br)cc1 ZINC000602544870 567990079 /nfs/dbraw/zinc/99/00/79/567990079.db2.gz DYPSEBXHDMWAJT-CQSZACIVSA-N 1 0 351.288 3.680 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000602545493 567990110 /nfs/dbraw/zinc/99/01/10/567990110.db2.gz DJYLLRNCFBLRRZ-AWEZNQCLSA-N 1 0 374.872 3.621 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000602545494 567990160 /nfs/dbraw/zinc/99/01/60/567990160.db2.gz DJYLLRNCFBLRRZ-CQSZACIVSA-N 1 0 374.872 3.621 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000602550163 567990637 /nfs/dbraw/zinc/99/06/37/567990637.db2.gz IDBJYHRQVGUBJB-IAGOWNOFSA-N 1 0 361.917 3.997 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000602540110 567992873 /nfs/dbraw/zinc/99/28/73/567992873.db2.gz VVWWRXXZSKLDLD-AWEZNQCLSA-N 1 0 356.388 3.773 20 30 FHEDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)CC2(C#N)CCOCC2)n(-c2ccccc2)n1 ZINC000602583866 567994102 /nfs/dbraw/zinc/99/41/02/567994102.db2.gz ZYOWEPCUIVPRQP-PKOBYXMFSA-N 1 0 366.509 3.800 20 30 FHEDRO C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000602605425 567997062 /nfs/dbraw/zinc/99/70/62/567997062.db2.gz VHBXKUOSXPAUDT-NVXWUHKLSA-N 1 0 353.388 3.564 20 30 FHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000602613204 567997754 /nfs/dbraw/zinc/99/77/54/567997754.db2.gz UBQTVHCQNAVMRM-IKGGRYGDSA-N 1 0 350.304 3.866 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000602648493 568004504 /nfs/dbraw/zinc/00/45/04/568004504.db2.gz AXSWIOBFFMYSEU-CQSZACIVSA-N 1 0 352.425 3.811 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000602652388 568005475 /nfs/dbraw/zinc/00/54/75/568005475.db2.gz XWJGGWUDCMIMOU-GOSISDBHSA-N 1 0 365.477 3.849 20 30 FHEDRO COc1ccc(CC[NH2+][C@H](C)CC2(C#N)CCOCC2)c(Cl)c1OC ZINC000602675050 568008747 /nfs/dbraw/zinc/00/87/47/568008747.db2.gz JDCFVMZOTJSPRP-CQSZACIVSA-N 1 0 366.889 3.588 20 30 FHEDRO N#CC1CCC([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1 ZINC000602683846 568010611 /nfs/dbraw/zinc/01/06/11/568010611.db2.gz UFNJFXNQKIYKLR-AVVWSFFYSA-N 1 0 356.420 3.815 20 30 FHEDRO CC(C)Oc1ccc([C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N(C)C)cc1 ZINC000602662936 568012865 /nfs/dbraw/zinc/01/28/65/568012865.db2.gz CEYWMDDLOMOAIA-RXVVDRJESA-N 1 0 373.541 3.765 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000602718339 568014936 /nfs/dbraw/zinc/01/49/36/568014936.db2.gz VVSADPJBYAQPAX-WIYYLYMNSA-N 1 0 372.509 3.571 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000602693677 568015704 /nfs/dbraw/zinc/01/57/04/568015704.db2.gz FQJGPGRUGFZNBB-HNNXBMFYSA-N 1 0 364.331 3.943 20 30 FHEDRO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330265596 568049186 /nfs/dbraw/zinc/04/91/86/568049186.db2.gz ZLNXKORDPSYIFR-INIZCTEOSA-N 1 0 366.889 3.554 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602837873 568050709 /nfs/dbraw/zinc/05/07/09/568050709.db2.gz PLGXONRZFOKFDH-QFBILLFUSA-N 1 0 358.486 3.563 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000481569846 568057440 /nfs/dbraw/zinc/05/74/40/568057440.db2.gz HMOAQAUDQXJXPU-WBVHZDCISA-N 1 0 353.491 3.638 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCNC(=O)c1ccc(F)cc1 ZINC000481658152 568082224 /nfs/dbraw/zinc/08/22/24/568082224.db2.gz GRGMHNNQBMWABT-NRFANRHFSA-N 1 0 365.452 3.875 20 30 FHEDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000291255389 568092998 /nfs/dbraw/zinc/09/29/98/568092998.db2.gz MLXLMPKJEJWLEG-JOCHJYFZSA-N 1 0 366.461 3.521 20 30 FHEDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481898156 568162570 /nfs/dbraw/zinc/16/25/70/568162570.db2.gz AVOQZGPPDPORBU-VXKWHMMOSA-N 1 0 361.489 3.615 20 30 FHEDRO N#Cc1ccc(OCC[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000603850622 568164942 /nfs/dbraw/zinc/16/49/42/568164942.db2.gz NEXRHIKHXAKGKC-UHFFFAOYSA-N 1 0 358.388 3.759 20 30 FHEDRO N#Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000481897739 568173305 /nfs/dbraw/zinc/17/33/05/568173305.db2.gz UMZVAKVCGVUEGA-IEBWSBKVSA-N 1 0 365.502 3.746 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890316 568177403 /nfs/dbraw/zinc/17/74/03/568177403.db2.gz ZATKGFOMIQVIEG-NRJQMVOHSA-N 1 0 366.509 3.790 20 30 FHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000568754162 568180233 /nfs/dbraw/zinc/18/02/33/568180233.db2.gz DUECMXJUQUDLQG-PZJWPPBQSA-N 1 0 368.502 3.505 20 30 FHEDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181914192 568195490 /nfs/dbraw/zinc/19/54/90/568195490.db2.gz GBXIQKXBNAITAD-JXFKEZNVSA-N 1 0 369.534 3.686 20 30 FHEDRO O=C(NCC#Cc1ccccc1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604164837 568220259 /nfs/dbraw/zinc/22/02/59/568220259.db2.gz PMRJUDNETVTAKH-JOCHJYFZSA-N 1 0 361.489 3.565 20 30 FHEDRO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000541915173 568233988 /nfs/dbraw/zinc/23/39/88/568233988.db2.gz BFWFXYCPPULZGZ-UZLBHIALSA-N 1 0 367.468 3.505 20 30 FHEDRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1=O ZINC000568854596 568236890 /nfs/dbraw/zinc/23/68/90/568236890.db2.gz OCPGKYHTNNOHIQ-JLTOFOAXSA-N 1 0 369.415 3.678 20 30 FHEDRO C[NH+](C)CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C1CCCCC1 ZINC000569067948 568270298 /nfs/dbraw/zinc/27/02/98/568270298.db2.gz MZNMACPJSVRGTL-UHFFFAOYSA-N 1 0 366.465 3.550 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000604414494 568279238 /nfs/dbraw/zinc/27/92/38/568279238.db2.gz USQJWQWAPCGJAC-UGKGYDQZSA-N 1 0 363.505 3.853 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000604487377 568300025 /nfs/dbraw/zinc/30/00/25/568300025.db2.gz HFYBPLDMRQPKGL-UHFFFAOYSA-N 1 0 351.450 3.821 20 30 FHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000604487389 568300061 /nfs/dbraw/zinc/30/00/61/568300061.db2.gz OBMQPFJWSIMZQA-UHFFFAOYSA-N 1 0 371.437 3.858 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000604766018 568361931 /nfs/dbraw/zinc/36/19/31/568361931.db2.gz MWNFCDCAQRKWPE-OALUTQOASA-N 1 0 365.395 3.876 20 30 FHEDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000569542340 568406649 /nfs/dbraw/zinc/40/66/49/568406649.db2.gz UDNVQVKYNYWNGB-LJQANCHMSA-N 1 0 357.454 3.751 20 30 FHEDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000570140666 568454210 /nfs/dbraw/zinc/45/42/10/568454210.db2.gz KDMXEIAITSYDKE-QGZVFWFLSA-N 1 0 363.461 3.812 20 30 FHEDRO CCOCCC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000182022589 568468199 /nfs/dbraw/zinc/46/81/99/568468199.db2.gz PIUNDELYOXPMMT-UHFFFAOYSA-N 1 0 355.526 3.709 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000570679371 568495182 /nfs/dbraw/zinc/49/51/82/568495182.db2.gz UEHSQGKCFFINLV-OAQYLSRUSA-N 1 0 350.487 3.933 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542013494 568514146 /nfs/dbraw/zinc/51/41/46/568514146.db2.gz GWHOACGEKRZFMV-CQSZACIVSA-N 1 0 362.458 3.971 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1F ZINC000182028984 568559422 /nfs/dbraw/zinc/55/94/22/568559422.db2.gz KWISVPCGLBFSPY-NEPJUHHUSA-N 1 0 359.401 3.594 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000828258041 602052413 /nfs/dbraw/zinc/05/24/13/602052413.db2.gz OSOSYIYCLWFWHA-LAUBAEHRSA-N 1 0 369.509 3.660 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000826387439 608311028 /nfs/dbraw/zinc/31/10/28/608311028.db2.gz VJUCKMACKXRMSZ-UHFFFAOYSA-N 1 0 372.457 3.757 20 30 FHEDRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824761953 608463101 /nfs/dbraw/zinc/46/31/01/608463101.db2.gz DIAFHOQSXDBCRK-HNNXBMFYSA-N 1 0 356.433 3.589 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc2ncccc2c1 ZINC000823914108 608631183 /nfs/dbraw/zinc/63/11/83/608631183.db2.gz ABMJCDOZIJGEIA-UHFFFAOYSA-N 1 0 356.433 3.603 20 30 FHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164416619 718892391 /nfs/dbraw/zinc/89/23/91/718892391.db2.gz DTAVQJAUTMZIOI-CQSZACIVSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@H]43)cnc2Cl)c1 ZINC001164447588 719003777 /nfs/dbraw/zinc/00/37/77/719003777.db2.gz CNFIPNHVHVIEJG-DLBZAZTESA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1c[nH]c2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc12 ZINC001164619950 719083081 /nfs/dbraw/zinc/08/30/81/719083081.db2.gz DIJNGPVCCZESGH-FXAWDEMLSA-N 1 0 357.461 3.535 20 30 FHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726890 720473395 /nfs/dbraw/zinc/47/33/95/720473395.db2.gz MWAXYCRLFGDVJP-JKSUJKDBSA-N 1 0 374.275 3.508 20 30 FHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726885 720473945 /nfs/dbraw/zinc/47/39/45/720473945.db2.gz MWAXYCRLFGDVJP-HOTGVXAUSA-N 1 0 374.275 3.508 20 30 FHEDRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001165040650 721930977 /nfs/dbraw/zinc/93/09/77/721930977.db2.gz HQILCSJKGCTWHW-UHFFFAOYSA-N 1 0 363.239 3.583 20 30 FHEDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000467119856 936324727 /nfs/dbraw/zinc/32/47/27/936324727.db2.gz SXIDSFHUZYDQLV-WOJBJXKFSA-N 1 0 371.525 3.687 20 30 FHEDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000467119853 936324847 /nfs/dbraw/zinc/32/48/47/936324847.db2.gz SXIDSFHUZYDQLV-PMACEKPBSA-N 1 0 371.525 3.687 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000052075717 937088024 /nfs/dbraw/zinc/08/80/24/937088024.db2.gz PWHSCHOXUVDMHA-FQEVSTJZSA-N 1 0 370.880 3.810 20 30 FHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000238162936 937103282 /nfs/dbraw/zinc/10/32/82/937103282.db2.gz FJFZJBIFSYPWHB-UHFFFAOYSA-N 1 0 362.473 3.615 20 30 FHEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178781375 937118859 /nfs/dbraw/zinc/11/88/59/937118859.db2.gz UYILNAOYSRBFMK-YJYMSZOUSA-N 1 0 368.431 3.838 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CCC2)CC1 ZINC000654747661 927258549 /nfs/dbraw/zinc/25/85/49/927258549.db2.gz KESFVYIHGRZUPD-UHFFFAOYSA-N 1 0 366.427 3.894 20 30 FHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 ZINC000430171498 927511380 /nfs/dbraw/zinc/51/13/80/927511380.db2.gz WFZXFVRVRHTQPE-GLJUWKHASA-N 1 0 351.416 3.739 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC2(CC#N)CC2)C1 ZINC000430175593 927532627 /nfs/dbraw/zinc/53/26/27/927532627.db2.gz CUYGBGBQONTGND-QZTJIDSGSA-N 1 0 368.525 3.658 20 30 FHEDRO CC[N@H+](CCC1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000579799207 927559401 /nfs/dbraw/zinc/55/94/01/927559401.db2.gz HONACFJYNIOUON-UHFFFAOYSA-N 1 0 356.470 3.805 20 30 FHEDRO C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186918192 927574887 /nfs/dbraw/zinc/57/48/87/927574887.db2.gz FSRQWIZGOJETRZ-UZLBHIALSA-N 1 0 365.477 3.523 20 30 FHEDRO CCCCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430180899 927601746 /nfs/dbraw/zinc/60/17/46/927601746.db2.gz SPYCRPUEFOOXIO-FQEVSTJZSA-N 1 0 351.450 3.785 20 30 FHEDRO C[C@H]1C[C@H](CCNC(=O)c2sccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000510069376 927633966 /nfs/dbraw/zinc/63/39/66/927633966.db2.gz FVHUESVADPSDKI-RDJZCZTQSA-N 1 0 353.491 3.650 20 30 FHEDRO CC(C)Oc1ccc([C@@H](CNc2nccc(C#N)c2Cl)[NH+](C)C)cc1 ZINC000583166274 937198163 /nfs/dbraw/zinc/19/81/63/937198163.db2.gz KVOXNMLWILNCCG-QGZVFWFLSA-N 1 0 358.873 3.531 20 30 FHEDRO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@H]1c1ccccc1 ZINC000610216101 928171268 /nfs/dbraw/zinc/17/12/68/928171268.db2.gz LHALPJWTZJQHHI-UYAOXDASSA-N 1 0 353.510 3.797 20 30 FHEDRO COc1ccc(C[C@@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)cc1 ZINC000610217370 928229423 /nfs/dbraw/zinc/22/94/23/928229423.db2.gz XCQCYAIFXQVLKU-IBGZPJMESA-N 1 0 350.462 3.900 20 30 FHEDRO C[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(OCC#N)cc1 ZINC000274779842 928268295 /nfs/dbraw/zinc/26/82/95/928268295.db2.gz OZDZYSKUZJQNQZ-ZDUSSCGKSA-N 1 0 354.841 3.980 20 30 FHEDRO N#Cc1ccc(C(F)(F)N2CC3(CC[NH2+]CC3)c3ccccc32)nc1Cl ZINC001167072442 928271257 /nfs/dbraw/zinc/27/12/57/928271257.db2.gz SOBWXPHAMKIQIF-UHFFFAOYSA-N 1 0 374.822 3.797 20 30 FHEDRO C[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000254964561 928541402 /nfs/dbraw/zinc/54/14/02/928541402.db2.gz LLSNJRXPRYUVAJ-SNFPTOCBSA-N 1 0 374.488 3.570 20 30 FHEDRO C=C(C)COc1cccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000535972616 937267716 /nfs/dbraw/zinc/26/77/16/937267716.db2.gz UOQXBQOGLXTEGS-GOSISDBHSA-N 1 0 357.498 3.837 20 30 FHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccccc1C#N ZINC000254997759 928766892 /nfs/dbraw/zinc/76/68/92/928766892.db2.gz BIFYRWIJIZGEBE-DUQGCJEPSA-N 1 0 359.473 3.552 20 30 FHEDRO C=CCOc1ccccc1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000155273236 937294111 /nfs/dbraw/zinc/29/41/11/937294111.db2.gz PHDOKEQHZGQJKM-QGZVFWFLSA-N 1 0 365.477 3.602 20 30 FHEDRO N#Cc1csc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000248199149 937300931 /nfs/dbraw/zinc/30/09/31/937300931.db2.gz YBHVTQGKDXXDDS-RBUKOAKNSA-N 1 0 365.502 3.746 20 30 FHEDRO C=CCc1cc(C[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)cc(OC)c1O ZINC000657747740 937311725 /nfs/dbraw/zinc/31/17/25/937311725.db2.gz RRMIBSMYHFBMNI-NHCUHLMSSA-N 1 0 355.478 3.977 20 30 FHEDRO N#CC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000155436593 937313081 /nfs/dbraw/zinc/31/30/81/937313081.db2.gz NCOOORHCVKEIKB-UHFFFAOYSA-N 1 0 355.482 3.964 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000471225114 929288946 /nfs/dbraw/zinc/28/89/46/929288946.db2.gz AHEUAKHIEHGDBP-FQEVSTJZSA-N 1 0 362.539 3.824 20 30 FHEDRO C=CC1CC[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000180142327 929388752 /nfs/dbraw/zinc/38/87/52/929388752.db2.gz BMBWRRDDQOTUTM-UHFFFAOYSA-N 1 0 356.369 3.645 20 30 FHEDRO Cn1cc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180227774 929425652 /nfs/dbraw/zinc/42/56/52/929425652.db2.gz JCOLHAUTBSVKEN-GHTZIAJQSA-N 1 0 366.509 3.890 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000023677093 929692296 /nfs/dbraw/zinc/69/22/96/929692296.db2.gz PKJRIONZGVWXNS-IIBYNOLFSA-N 1 0 350.462 3.528 20 30 FHEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000683680547 929768099 /nfs/dbraw/zinc/76/80/99/929768099.db2.gz QUWABGLJQDNPTK-CRAIPNDOSA-N 1 0 358.507 3.935 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000564802423 929820157 /nfs/dbraw/zinc/82/01/57/929820157.db2.gz ABHGJZPSYBOAIC-XLIONFOSSA-N 1 0 364.555 3.566 20 30 FHEDRO CCc1ccc([C@H](COC)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC000560528461 929855602 /nfs/dbraw/zinc/85/56/02/929855602.db2.gz GIBRVLZUMRCJKT-FQEVSTJZSA-N 1 0 353.466 3.660 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)[C@H](O)Cc2ccccc2)ccc1OC ZINC000123262471 929956040 /nfs/dbraw/zinc/95/60/40/929956040.db2.gz FCSBWWOQWORJMK-YLJYHZDGSA-N 1 0 355.478 3.732 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610343797 930043966 /nfs/dbraw/zinc/04/39/66/930043966.db2.gz SMTAHAGMSYINEU-NWDGAFQWSA-N 1 0 372.812 3.798 20 30 FHEDRO C[C@@H]([NH2+]Cc1cnc2ccc(Br)cn12)c1cccc(C#N)c1 ZINC000610344935 930045535 /nfs/dbraw/zinc/04/55/35/930045535.db2.gz NOOTXQSHBPTYGZ-GFCCVEGCSA-N 1 0 355.239 3.819 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000610348941 930065069 /nfs/dbraw/zinc/06/50/69/930065069.db2.gz CZKBNIDURYDECO-CSODHUTKSA-N 1 0 362.477 3.754 20 30 FHEDRO COc1ccccc1[C@@H](C[NH2+]Cc1cc(C#N)cs1)N1CCCCC1 ZINC000177687447 930108185 /nfs/dbraw/zinc/10/81/85/930108185.db2.gz PLJVYZQVUADOOU-LJQANCHMSA-N 1 0 355.507 3.945 20 30 FHEDRO COc1cc(C#N)ccc1C[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000121147586 930127696 /nfs/dbraw/zinc/12/76/96/930127696.db2.gz NXVJNSGULVHNEV-UHFFFAOYSA-N 1 0 373.497 3.835 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CC1 ZINC000064896718 930204463 /nfs/dbraw/zinc/20/44/63/930204463.db2.gz RYUPUGABJINPJS-UHFFFAOYSA-N 1 0 358.445 3.514 20 30 FHEDRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC000161684458 937396208 /nfs/dbraw/zinc/39/62/08/937396208.db2.gz RBNIOIYHXOUDHC-AWEZNQCLSA-N 1 0 370.884 3.935 20 30 FHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=S)Nc3ccccc3C#N)C2)CC1 ZINC000748151052 930316006 /nfs/dbraw/zinc/31/60/06/930316006.db2.gz GVQJLZCFSOJSLP-KRWDZBQOSA-N 1 0 356.539 3.699 20 30 FHEDRO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC000610400638 930369632 /nfs/dbraw/zinc/36/96/32/930369632.db2.gz BZYZPGNAPAOGKW-FXAWDEMLSA-N 1 0 356.514 3.819 20 30 FHEDRO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)sc1C ZINC000328711287 930501108 /nfs/dbraw/zinc/50/11/08/930501108.db2.gz NBIXMNOSUNHQCG-UUAYOZFRSA-N 1 0 365.543 3.998 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1ccc(Cl)s1 ZINC000255196564 930525662 /nfs/dbraw/zinc/52/56/62/930525662.db2.gz QLAJNKGFLRWOQH-CLFYSBASSA-N 1 0 373.909 3.877 20 30 FHEDRO COc1ccc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000312811849 930565592 /nfs/dbraw/zinc/56/55/92/930565592.db2.gz BQNWADZEJBKFNJ-UNMCSNQZSA-N 1 0 361.489 3.521 20 30 FHEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000047893080 930612293 /nfs/dbraw/zinc/61/22/93/930612293.db2.gz KOHHKDHZGLWETO-UHFFFAOYSA-N 1 0 365.452 3.534 20 30 FHEDRO C[N@H+](CCC(=O)NCCSCc1ccccc1C#N)C1CCCCC1 ZINC000579661118 930720537 /nfs/dbraw/zinc/72/05/37/930720537.db2.gz VABZKNMQBRPYJD-UHFFFAOYSA-N 1 0 359.539 3.562 20 30 FHEDRO Cc1cc(NC(=O)c2sccc2C#N)ccc1OCC[NH+]1CCCC1 ZINC000119131626 930721520 /nfs/dbraw/zinc/72/15/20/930721520.db2.gz HOQXYFZHVICWTM-UHFFFAOYSA-N 1 0 355.463 3.655 20 30 FHEDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4ccc(C#N)cc43)CC2)cc1 ZINC000580501669 930772393 /nfs/dbraw/zinc/77/23/93/930772393.db2.gz NTOSQPSNBBSANJ-QFIPXVFZSA-N 1 0 359.473 3.748 20 30 FHEDRO Cc1csc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1C#N ZINC000580539553 930827343 /nfs/dbraw/zinc/82/73/43/930827343.db2.gz YSXXOOZIDXMUGZ-AWEZNQCLSA-N 1 0 369.494 3.670 20 30 FHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177790793 930850671 /nfs/dbraw/zinc/85/06/71/930850671.db2.gz BUKMSHNQAOEJGL-GOSISDBHSA-N 1 0 368.506 3.549 20 30 FHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc(C#N)n3)c2)CC1 ZINC000580561724 930859203 /nfs/dbraw/zinc/85/92/03/930859203.db2.gz RDTRLBKWVPNVQG-UHFFFAOYSA-N 1 0 363.465 3.507 20 30 FHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000580562309 930859323 /nfs/dbraw/zinc/85/93/23/930859323.db2.gz WVVSCBDPYUJWBS-UHFFFAOYSA-N 1 0 355.486 3.569 20 30 FHEDRO CCOCCC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944087 930990228 /nfs/dbraw/zinc/99/02/28/930990228.db2.gz QGZVCLLJJLTGHW-IUCAKERBSA-N 1 0 355.269 3.516 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000580679700 931006235 /nfs/dbraw/zinc/00/62/35/931006235.db2.gz KWKPWSUIOQGEGR-HNNXBMFYSA-N 1 0 366.358 3.657 20 30 FHEDRO CN(C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1cccs1 ZINC000160603193 931036713 /nfs/dbraw/zinc/03/67/13/931036713.db2.gz POWAHYAHLAJUJT-GFCCVEGCSA-N 1 0 372.416 3.676 20 30 FHEDRO C[NH+]1CCN(c2ccc(CNc3nc4ccccc4cc3CC#N)cc2)CC1 ZINC001167431240 931041979 /nfs/dbraw/zinc/04/19/79/931041979.db2.gz NWLUBDZSRTWULQ-UHFFFAOYSA-N 1 0 371.488 3.665 20 30 FHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cccc(C#N)c1 ZINC000084070001 931268673 /nfs/dbraw/zinc/26/86/73/931268673.db2.gz LZWALTKLTUMCQE-UHFFFAOYSA-N 1 0 356.392 3.686 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(C#N)cs1 ZINC000084083435 931301890 /nfs/dbraw/zinc/30/18/90/931301890.db2.gz GWSIRTSFDZXMSY-HNNXBMFYSA-N 1 0 353.491 3.924 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC=C(c3ccccn3)C2)cc1Cl ZINC000580960363 931414408 /nfs/dbraw/zinc/41/44/08/931414408.db2.gz LKCRZPZZFVTEDJ-UHFFFAOYSA-N 1 0 366.852 3.725 20 30 FHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1C#N ZINC000177897577 931523008 /nfs/dbraw/zinc/52/30/08/931523008.db2.gz BABRAJMOFXCZAI-KRWDZBQOSA-N 1 0 366.440 3.683 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000048239807 931532830 /nfs/dbraw/zinc/53/28/30/931532830.db2.gz BLFLTMFBPIWQOE-HDICACEKSA-N 1 0 373.566 3.666 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000177900428 931536201 /nfs/dbraw/zinc/53/62/01/931536201.db2.gz JNKVJHJEPHCJJZ-INIZCTEOSA-N 1 0 358.461 3.817 20 30 FHEDRO C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cc(C)[nH]c1=O)C2 ZINC001112501213 931567574 /nfs/dbraw/zinc/56/75/74/931567574.db2.gz PLLSFKRIKQDGGX-NRJQMVOHSA-N 1 0 371.525 3.591 20 30 FHEDRO CCOc1ccccc1NC(=O)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000177926320 931603047 /nfs/dbraw/zinc/60/30/47/931603047.db2.gz YDKPPPGJAFZOPF-UHFFFAOYSA-N 1 0 363.461 3.950 20 30 FHEDRO [NH2+]=C(NCc1cccc(-c2ccccn2)c1)N[C@@H]1CCOc2ccccc21 ZINC000160787703 931619964 /nfs/dbraw/zinc/61/99/64/931619964.db2.gz XGGDPBDJVQHXRA-HXUWFJFHSA-N 1 0 358.445 3.677 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+]CC(C)(C)N2CCC(OC)CC2)cc1 ZINC000581170979 931638610 /nfs/dbraw/zinc/63/86/10/931638610.db2.gz FARSEWHRROXXHQ-HXUWFJFHSA-N 1 0 359.514 3.519 20 30 FHEDRO C=CCCCC[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000581232141 931716365 /nfs/dbraw/zinc/71/63/65/931716365.db2.gz BTAFTPJTFGZOSN-HNNXBMFYSA-N 1 0 356.466 3.657 20 30 FHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(F)c(F)cc1OC)C2 ZINC001143390766 931772190 /nfs/dbraw/zinc/77/21/90/931772190.db2.gz ZZPHUKWGZRWBRR-VQTJNVASSA-N 1 0 367.436 3.547 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC000581357521 931896395 /nfs/dbraw/zinc/89/63/95/931896395.db2.gz FCCSGZUXRSDPHH-UZLBHIALSA-N 1 0 362.433 3.566 20 30 FHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)CC(C)C)c1C#N ZINC000065962035 931914749 /nfs/dbraw/zinc/91/47/49/931914749.db2.gz YXSYMWAPONMEKN-UHFFFAOYSA-N 1 0 370.472 3.690 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC000933217600 931943099 /nfs/dbraw/zinc/94/30/99/931943099.db2.gz GVPITSWBLNZHOH-UHFFFAOYSA-N 1 0 360.502 3.701 20 30 FHEDRO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000581428744 932056677 /nfs/dbraw/zinc/05/66/77/932056677.db2.gz ASPQHJXGOUNWOY-UHFFFAOYSA-N 1 0 373.467 3.517 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(OC2CCCCC2)c1 ZINC000157182184 932231421 /nfs/dbraw/zinc/23/14/21/932231421.db2.gz DFEDRLVKOAEPCX-UHFFFAOYSA-N 1 0 357.498 3.706 20 30 FHEDRO C#CCCCCCC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000780349738 932288048 /nfs/dbraw/zinc/28/80/48/932288048.db2.gz AOBHSQQURUBUKM-IBGZPJMESA-N 1 0 354.494 3.675 20 30 FHEDRO C#CCCCCCC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000780349739 932288356 /nfs/dbraw/zinc/28/83/56/932288356.db2.gz AOBHSQQURUBUKM-LJQANCHMSA-N 1 0 354.494 3.675 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000157823837 932331588 /nfs/dbraw/zinc/33/15/88/932331588.db2.gz DSHJXWGMKRTFSE-REWPJTCUSA-N 1 0 362.473 3.644 20 30 FHEDRO CC[N@H+](Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1)C(C)C ZINC000290314696 932334126 /nfs/dbraw/zinc/33/41/26/932334126.db2.gz DAHQJLAHPHVIFP-UHFFFAOYSA-N 1 0 351.454 3.641 20 30 FHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccc(F)cc1C#N)[NH+](C)C ZINC000477161315 932360621 /nfs/dbraw/zinc/36/06/21/932360621.db2.gz LULAGFCOUCQSDQ-LIRRHRJNSA-N 1 0 354.429 3.819 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000477159285 932360754 /nfs/dbraw/zinc/36/07/54/932360754.db2.gz DBLGNUZKZZVWRK-QGZVFWFLSA-N 1 0 352.526 3.923 20 30 FHEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000477189778 932380864 /nfs/dbraw/zinc/38/08/64/932380864.db2.gz PKEXGKKVRYZQMC-VXKWHMMOSA-N 1 0 361.489 3.833 20 30 FHEDRO C[N@H+](CCOCCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000559082721 932642494 /nfs/dbraw/zinc/64/24/94/932642494.db2.gz FTWRDKHEIBPLFY-AWEZNQCLSA-N 1 0 355.301 3.848 20 30 FHEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000178178743 932761973 /nfs/dbraw/zinc/76/19/73/932761973.db2.gz BNTSPNYEJRHPNQ-UZLBHIALSA-N 1 0 365.477 3.827 20 30 FHEDRO Cc1nn(C)c(N2CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)c1C#N ZINC000471802221 932964078 /nfs/dbraw/zinc/96/40/78/932964078.db2.gz AYXQCSTVTNTZJY-UHFFFAOYSA-N 1 0 371.488 3.589 20 30 FHEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000085586497 933062335 /nfs/dbraw/zinc/06/23/35/933062335.db2.gz LCZIHUAREPISDW-MRXNPFEDSA-N 1 0 362.543 3.990 20 30 FHEDRO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000328876156 933078137 /nfs/dbraw/zinc/07/81/37/933078137.db2.gz GFZUVHLDLMJRIB-QGZVFWFLSA-N 1 0 363.546 3.636 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000430820079 933260445 /nfs/dbraw/zinc/26/04/45/933260445.db2.gz HRAZJRWFNGPQLQ-PMACEKPBSA-N 1 0 373.566 3.808 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(SCC#N)c1 ZINC000430832006 933282037 /nfs/dbraw/zinc/28/20/37/933282037.db2.gz WVYMQRCFDGMACV-HKUYNNGSSA-N 1 0 359.539 3.933 20 30 FHEDRO N#Cc1cccc(OCC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000430918117 933404489 /nfs/dbraw/zinc/40/44/89/933404489.db2.gz GFXRQSDLVPNLKJ-JOCHJYFZSA-N 1 0 350.462 3.661 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430927925 933415427 /nfs/dbraw/zinc/41/54/27/933415427.db2.gz SAJLZPWPEGWVPH-TZIWHRDSSA-N 1 0 358.526 3.523 20 30 FHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610633486 933563381 /nfs/dbraw/zinc/56/33/81/933563381.db2.gz BCKXPKKUNDNASC-UXHICEINSA-N 1 0 372.432 3.571 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(O)c2ccccc2c1 ZINC000471908388 933659340 /nfs/dbraw/zinc/65/93/40/933659340.db2.gz RCPMKZZZBIQQIP-UHFFFAOYSA-N 1 0 373.456 3.621 20 30 FHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000610718039 933928464 /nfs/dbraw/zinc/92/84/64/933928464.db2.gz KIKWJXCVUUOMPC-HZPDHXFCSA-N 1 0 360.527 3.934 20 30 FHEDRO C[N@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)CC(C)(C)CCC#N ZINC000092189931 933974743 /nfs/dbraw/zinc/97/47/43/933974743.db2.gz WEJBLWBLXRPVBP-HNNXBMFYSA-N 1 0 358.404 3.707 20 30 FHEDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000891918234 934033486 /nfs/dbraw/zinc/03/34/86/934033486.db2.gz UZFCNIDJVQBJGK-WIYYLYMNSA-N 1 0 356.514 3.828 20 30 FHEDRO CC(C)c1noc(-c2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)n1 ZINC000329002953 934104420 /nfs/dbraw/zinc/10/44/20/934104420.db2.gz LQSXNYYXNAAMMD-IAGOWNOFSA-N 1 0 369.469 3.813 20 30 FHEDRO N#Cc1ccccc1Cn1cccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000187666715 934134049 /nfs/dbraw/zinc/13/40/49/934134049.db2.gz HJXATGBMGZKVGF-UHFFFAOYSA-N 1 0 371.488 3.562 20 30 FHEDRO CN(CC(C)(C)C#N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000458121114 934317498 /nfs/dbraw/zinc/31/74/98/934317498.db2.gz WXFUEXNBTHGUIE-UHFFFAOYSA-N 1 0 356.514 3.754 20 30 FHEDRO COC1CC[NH+](C2(CNc3nc4c(cc3C#N)CCCC4)CCCC2)CC1 ZINC000535749479 934338124 /nfs/dbraw/zinc/33/81/24/934338124.db2.gz JYZMSSLAMWUEHV-UHFFFAOYSA-N 1 0 368.525 3.668 20 30 FHEDRO Cc1nc([C@@H](C)NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cs1 ZINC000329010379 934367872 /nfs/dbraw/zinc/36/78/72/934367872.db2.gz HXDQGQNHGNOEAF-CYBMUJFWSA-N 1 0 350.532 3.671 20 30 FHEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000610813582 934474358 /nfs/dbraw/zinc/47/43/58/934474358.db2.gz LGMUZXRFIDBGNO-STQMWFEESA-N 1 0 356.297 3.727 20 30 FHEDRO Cc1ccc(N=Cc2cc(Cl)ccc2O)cc1NC(=O)CC[NH+](C)C ZINC000588476263 934514233 /nfs/dbraw/zinc/51/42/33/934514233.db2.gz AISJWCRXUQZSCP-UHFFFAOYSA-N 1 0 359.857 3.995 20 30 FHEDRO Cc1cc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)ccc1C[NH+](C)C ZINC000458294227 934588205 /nfs/dbraw/zinc/58/82/05/934588205.db2.gz VRZITZAOKLIERS-OAQYLSRUSA-N 1 0 365.477 3.970 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458299138 934612025 /nfs/dbraw/zinc/61/20/25/934612025.db2.gz AWDXXOMXWPTEOM-ICSRJNTNSA-N 1 0 356.514 3.841 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000176230961 934644800 /nfs/dbraw/zinc/64/48/00/934644800.db2.gz URRXIAQUONYVDB-HXUWFJFHSA-N 1 0 372.465 3.602 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@](C)(Cc2ccccc2)C2CC2)CC1 ZINC000458316096 934685224 /nfs/dbraw/zinc/68/52/24/934685224.db2.gz HEGVFRIMFVDDQK-QFIPXVFZSA-N 1 0 355.526 3.738 20 30 FHEDRO C=C(C)CN(C)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000181516876 934717459 /nfs/dbraw/zinc/71/74/59/934717459.db2.gz YCQPGOKCRIMHED-UHFFFAOYSA-N 1 0 350.894 3.522 20 30 FHEDRO CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@H]1c1ccccc1 ZINC000610989193 934720926 /nfs/dbraw/zinc/72/09/26/934720926.db2.gz XWGGKORRGMBJKR-FPOVZHCZSA-N 1 0 350.462 3.575 20 30 FHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2ccnc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000610993132 934737985 /nfs/dbraw/zinc/73/79/85/934737985.db2.gz FFFOKMCKUZLMDZ-WYZBVHOTSA-N 1 0 368.525 3.637 20 30 FHEDRO N#Cc1ccc(C[NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000538403053 934838386 /nfs/dbraw/zinc/83/83/86/934838386.db2.gz YSOGPEFPPFWTLF-UHFFFAOYSA-N 1 0 374.941 3.575 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000156976895 934988610 /nfs/dbraw/zinc/98/86/10/934988610.db2.gz NXKNQEGWQNROAN-JXFKEZNVSA-N 1 0 366.509 3.968 20 30 FHEDRO CCc1ccc(NC(=[NH2+])NCc2ccc(C(=O)N(CC)CC)cc2)cc1 ZINC000104163270 935004107 /nfs/dbraw/zinc/00/41/07/935004107.db2.gz SUIPAZNGOPLBCO-UHFFFAOYSA-N 1 0 352.482 3.658 20 30 FHEDRO CCc1ccc(NC(=[NH2+])NCc2cccc(NC(=O)N3CCCC3)c2)cc1 ZINC000104177145 935004632 /nfs/dbraw/zinc/00/46/32/935004632.db2.gz MDYYMDZJSRBUDE-UHFFFAOYSA-N 1 0 365.481 3.804 20 30 FHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548615278 935008467 /nfs/dbraw/zinc/00/84/67/935008467.db2.gz CISVXZOIUSRWJC-UHFFFAOYSA-N 1 0 355.869 3.852 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000151878324 935059482 /nfs/dbraw/zinc/05/94/82/935059482.db2.gz BWXRXXALICSAEL-AWEZNQCLSA-N 1 0 369.415 3.792 20 30 FHEDRO Cc1cc(C)c(C#N)c(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000071952653 935068919 /nfs/dbraw/zinc/06/89/19/935068919.db2.gz AEDQZESJKILIKB-ROUUACIJSA-N 1 0 364.493 3.791 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000437158952 945084803 /nfs/dbraw/zinc/08/48/03/945084803.db2.gz BKXMENWDJNHNLF-UHFFFAOYSA-N 1 0 366.465 3.551 20 30 FHEDRO CC(C)OCC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472158218 935234572 /nfs/dbraw/zinc/23/45/72/935234572.db2.gz PZOCYOYKNQCFAC-QFIPXVFZSA-N 1 0 370.468 3.876 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)C(=O)N(CCC#N)c1ccccc1 ZINC000507263749 945087101 /nfs/dbraw/zinc/08/71/01/945087101.db2.gz CPFXNXFJCRYACX-HZPDHXFCSA-N 1 0 361.449 3.549 20 30 FHEDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000519064342 945087442 /nfs/dbraw/zinc/08/74/42/945087442.db2.gz WYMDGWGZCIIVID-QGZVFWFLSA-N 1 0 365.477 3.597 20 30 FHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000551548599 935304960 /nfs/dbraw/zinc/30/49/60/935304960.db2.gz ZLZRCNSIBMIFBE-INIZCTEOSA-N 1 0 355.507 3.885 20 30 FHEDRO Cn1ccnc1COc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551576109 935313198 /nfs/dbraw/zinc/31/31/98/935313198.db2.gz FKKRKABKUNUFFG-UHFFFAOYSA-N 1 0 358.445 3.650 20 30 FHEDRO CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000413452964 935354169 /nfs/dbraw/zinc/35/41/69/935354169.db2.gz HIRMBHKYWWDVBT-XZOQPEGZSA-N 1 0 373.500 3.785 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611580578 935363133 /nfs/dbraw/zinc/36/31/33/935363133.db2.gz XZNFVUOXZKHCJZ-FRQCXROJSA-N 1 0 354.498 3.571 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000582190533 935387410 /nfs/dbraw/zinc/38/74/10/935387410.db2.gz WXUWRXPVDKCGHV-UHFFFAOYSA-N 1 0 363.505 3.961 20 30 FHEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1F ZINC000505989959 945098217 /nfs/dbraw/zinc/09/82/17/945098217.db2.gz DMDMUZICFXGWID-FQEVSTJZSA-N 1 0 351.425 3.806 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000158186653 935412627 /nfs/dbraw/zinc/41/26/27/935412627.db2.gz OVOPLNNLCJSMAK-CVEARBPZSA-N 1 0 360.527 3.744 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nccc2ccccc21 ZINC000582270923 935471703 /nfs/dbraw/zinc/47/17/03/935471703.db2.gz ANMMRRCYMDRNBN-IIBYNOLFSA-N 1 0 370.456 3.953 20 30 FHEDRO C[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccc(C#N)cc1F ZINC000611589679 935569324 /nfs/dbraw/zinc/56/93/24/935569324.db2.gz TUZMBCUDPUKQQI-JBBXEZCESA-N 1 0 366.358 3.882 20 30 FHEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)CCC1 ZINC000934418030 935608914 /nfs/dbraw/zinc/60/89/14/935608914.db2.gz PANKZGHJNJUBMP-MRXNPFEDSA-N 1 0 360.885 3.680 20 30 FHEDRO Cn1cc(C[NH2+]CCc2cccc(F)c2F)c(-c2ccc(C#N)cc2)n1 ZINC000478330401 935610516 /nfs/dbraw/zinc/61/05/16/935610516.db2.gz YHNMHJMBAGCYNS-UHFFFAOYSA-N 1 0 352.388 3.569 20 30 FHEDRO C=CCCn1cc(C[NH2+]C(C)(C)COc2ncc(Cl)cc2Cl)nn1 ZINC000657412418 935624515 /nfs/dbraw/zinc/62/45/15/935624515.db2.gz FFNVWAYFFMWRSO-UHFFFAOYSA-N 1 0 370.284 3.503 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)CC1 ZINC000161270587 935682989 /nfs/dbraw/zinc/68/29/89/935682989.db2.gz VOUATUKEHDJUKR-JOCHJYFZSA-N 1 0 352.522 3.736 20 30 FHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC=C(c3ccco3)C1)CCC2 ZINC000511140863 935776798 /nfs/dbraw/zinc/77/67/98/935776798.db2.gz VDXWVKPUIYJXIV-UHFFFAOYSA-N 1 0 367.474 3.819 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCOC[C@H]2C)cc1OC ZINC000277650065 935779729 /nfs/dbraw/zinc/77/97/29/935779729.db2.gz DNTJQPNICLRIGN-DOMZBBRYSA-N 1 0 370.287 3.537 20 30 FHEDRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000159064578 935791907 /nfs/dbraw/zinc/79/19/07/935791907.db2.gz JEHULGZGNOROLD-FQEVSTJZSA-N 1 0 354.498 3.596 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582534261 935806828 /nfs/dbraw/zinc/80/68/28/935806828.db2.gz YMNLKWSQDBEVOI-BEFAXECRSA-N 1 0 358.511 3.546 20 30 FHEDRO Cc1cc2[nH]c(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2c(C)c1 ZINC000479449606 935838883 /nfs/dbraw/zinc/83/88/83/935838883.db2.gz HLLQRMKRHQQFEX-OAQYLSRUSA-N 1 0 372.472 3.942 20 30 FHEDRO COc1cc(C[N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)ccc1C#N ZINC000582585048 935851608 /nfs/dbraw/zinc/85/16/08/935851608.db2.gz JZACLPQPQWPSPE-UHFFFAOYSA-N 1 0 362.376 3.809 20 30 FHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)sc2C1 ZINC000519105667 945128971 /nfs/dbraw/zinc/12/89/71/945128971.db2.gz OYRYUCXMSIWZCY-YXPYIKCWSA-N 1 0 357.523 3.851 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000582601388 935862444 /nfs/dbraw/zinc/86/24/44/935862444.db2.gz IYEAMCOURCYFDH-MQSCRBSSSA-N 1 0 364.489 3.666 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)Nc1ccccc1C#N ZINC000023994849 935878266 /nfs/dbraw/zinc/87/82/66/935878266.db2.gz IHHCSONYYGGNJR-CHWSQXEVSA-N 1 0 372.266 3.999 20 30 FHEDRO CO[C@]1(C)C[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C1(C)C ZINC000472238207 935908383 /nfs/dbraw/zinc/90/83/83/935908383.db2.gz JWBNQTFUCLNXAB-RBBKRZOGSA-N 1 0 367.493 3.873 20 30 FHEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccc3oc(=O)[nH]c32)C[C@H]1C ZINC001104423781 935928388 /nfs/dbraw/zinc/92/83/88/935928388.db2.gz ZYFAUAUGHBADDH-BZUAXINKSA-N 1 0 371.481 3.576 20 30 FHEDRO C[C@H]1C[N@H+](CCCC(C)(C)C#N)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000472251227 936021940 /nfs/dbraw/zinc/02/19/40/936021940.db2.gz SLQHAFYBUKODEP-INIZCTEOSA-N 1 0 361.917 3.745 20 30 FHEDRO CN(CCC[N@H+](C)Cc1ccco1)Cc1cc(Cl)ccc1OCC#N ZINC000796681542 936066731 /nfs/dbraw/zinc/06/67/31/936066731.db2.gz YFYJJBPNLAVNLJ-UHFFFAOYSA-N 1 0 361.873 3.789 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000582749184 936068960 /nfs/dbraw/zinc/06/89/60/936068960.db2.gz MDPZEHWRJNROEQ-MRXNPFEDSA-N 1 0 366.465 3.599 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438855818 945144179 /nfs/dbraw/zinc/14/41/79/945144179.db2.gz VMWFVSPOPURJQE-UXHICEINSA-N 1 0 356.514 3.841 20 30 FHEDRO Cc1cc(C)c2ncc(C#N)c(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000078292727 936089843 /nfs/dbraw/zinc/08/98/43/936089843.db2.gz MTEHWTPGBQPZIL-QGZVFWFLSA-N 1 0 364.493 3.636 20 30 FHEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)ccc1C#N ZINC000516690381 945148330 /nfs/dbraw/zinc/14/83/30/945148330.db2.gz LPMOGZDPDKGYRH-HNNXBMFYSA-N 1 0 366.465 3.948 20 30 FHEDRO Cc1nccn1-c1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)cn1 ZINC000237647219 936181681 /nfs/dbraw/zinc/18/16/81/936181681.db2.gz VRLCOBIOBCDCGN-UHFFFAOYSA-N 1 0 361.449 3.548 20 30 FHEDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000583423154 938249243 /nfs/dbraw/zinc/24/92/43/938249243.db2.gz CJCUZYRKMNKCOY-SXLOBPIMSA-N 1 0 350.466 3.569 20 30 FHEDRO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC001104468634 938252673 /nfs/dbraw/zinc/25/26/73/938252673.db2.gz MDYAVTCZROGWCQ-SJLPKXTDSA-N 1 0 367.493 3.594 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000329135492 938263731 /nfs/dbraw/zinc/26/37/31/938263731.db2.gz CGAVNJBYULNENJ-NZSAHSFTSA-N 1 0 367.497 3.686 20 30 FHEDRO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OCC2CCC2)N(C)C1 ZINC000329165403 938275992 /nfs/dbraw/zinc/27/59/92/938275992.db2.gz HDOGQIZAGMCGRL-HOCLYGCPSA-N 1 0 352.862 3.826 20 30 FHEDRO N#C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1c(Cl)cccc1Cl ZINC000278290608 938286221 /nfs/dbraw/zinc/28/62/21/938286221.db2.gz CPDCJKBLKXBYOP-HNNXBMFYSA-N 1 0 352.265 3.549 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1Cl ZINC000657768870 938299228 /nfs/dbraw/zinc/29/92/28/938299228.db2.gz ZEARIMGILSVXHL-LJQANCHMSA-N 1 0 353.890 3.562 20 30 FHEDRO C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329263801 938307585 /nfs/dbraw/zinc/30/75/85/938307585.db2.gz GLSFAIOTWZNFQT-MRXNPFEDSA-N 1 0 364.534 3.528 20 30 FHEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000052463743 938312327 /nfs/dbraw/zinc/31/23/27/938312327.db2.gz CZELXSYQMTVNHS-JOCHJYFZSA-N 1 0 366.509 3.710 20 30 FHEDRO CC(C)NC(=S)C(C(=O)c1nccs1)[n+]1ccc(C(C)(C)C)cc1 ZINC000278363992 938344866 /nfs/dbraw/zinc/34/48/66/938344866.db2.gz YRFUVAAQWSJJKX-UHFFFAOYSA-O 1 0 362.544 3.665 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)cc1OCCCC#N ZINC000283041475 938386721 /nfs/dbraw/zinc/38/67/21/938386721.db2.gz OAHCKKSNFIRCNK-GOSISDBHSA-N 1 0 368.481 3.789 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[N@@H+]1C ZINC000329501893 938452464 /nfs/dbraw/zinc/45/24/64/938452464.db2.gz AHZNXHVDXWKRHQ-OCCSQVGLSA-N 1 0 373.478 3.521 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000247454675 938470056 /nfs/dbraw/zinc/47/00/56/938470056.db2.gz HSRJICNEEZRENN-XLIONFOSSA-N 1 0 368.525 3.621 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000536162028 938482085 /nfs/dbraw/zinc/48/20/85/938482085.db2.gz YCBCSQDLWINQOH-FQEVSTJZSA-N 1 0 359.489 3.925 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C12CCCC2 ZINC000329569879 938489265 /nfs/dbraw/zinc/48/92/65/938489265.db2.gz IMEMEOAEFWNXRI-MDASCCDHSA-N 1 0 374.481 3.762 20 30 FHEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000329565702 938489509 /nfs/dbraw/zinc/48/95/09/938489509.db2.gz SOYBYWVXWSZUHC-GOSISDBHSA-N 1 0 358.486 3.659 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ccccc3Cl)C1=O)CC2 ZINC000583964518 938507573 /nfs/dbraw/zinc/50/75/73/938507573.db2.gz OJUGZEHLQJOESW-ZWKOTPCHSA-N 1 0 351.837 3.594 20 30 FHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccccc1 ZINC000179013303 938507644 /nfs/dbraw/zinc/50/76/44/938507644.db2.gz LBLGOGPVVUFAMR-PKOBYXMFSA-N 1 0 365.481 3.682 20 30 FHEDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278559066 938532398 /nfs/dbraw/zinc/53/23/98/938532398.db2.gz CGHPSPXHJMAWMS-UXHICEINSA-N 1 0 367.497 3.542 20 30 FHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000151414016 938543342 /nfs/dbraw/zinc/54/33/42/938543342.db2.gz YATOCUSHEOINDS-OAQYLSRUSA-N 1 0 364.493 3.983 20 30 FHEDRO CC(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccnc1 ZINC000278585441 938559712 /nfs/dbraw/zinc/55/97/12/938559712.db2.gz GJWQXYXMKXSZIP-NRFANRHFSA-N 1 0 374.492 3.783 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000519168329 945186936 /nfs/dbraw/zinc/18/69/36/945186936.db2.gz WSALBDSFPWFYNA-PNPHSEOMSA-N 1 0 365.930 3.909 20 30 FHEDRO CN(C)c1cccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000179034300 938578181 /nfs/dbraw/zinc/57/81/81/938578181.db2.gz ORVCTNMSTIXSRC-UHFFFAOYSA-N 1 0 372.472 3.888 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000584088616 938591143 /nfs/dbraw/zinc/59/11/43/938591143.db2.gz XXIZHRYSZUHFCI-PXNSSMCTSA-N 1 0 350.441 3.728 20 30 FHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H](CCCC#N)c3ccccc3)C2)CC1 ZINC000458794934 938591760 /nfs/dbraw/zinc/59/17/60/938591760.db2.gz BTWOCFZLGFSDGS-LEWJYISDSA-N 1 0 368.525 3.795 20 30 FHEDRO COc1ccccc1C1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCC1 ZINC000262372110 938606405 /nfs/dbraw/zinc/60/64/05/938606405.db2.gz LXONENHTGDTZEO-GOSISDBHSA-N 1 0 365.477 3.545 20 30 FHEDRO C[C@@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807450 938614532 /nfs/dbraw/zinc/61/45/32/938614532.db2.gz ISZHXCGLELTMQT-SJORKVTESA-N 1 0 368.502 3.701 20 30 FHEDRO CCOc1cccc(/C=N\C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1O ZINC000588592078 938673299 /nfs/dbraw/zinc/67/32/99/938673299.db2.gz AWWNSDSUIUCOQR-FVHJOOJJSA-N 1 0 368.477 3.501 20 30 FHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CC(C)(C)C#N ZINC000278731877 938698437 /nfs/dbraw/zinc/69/84/37/938698437.db2.gz KXLKBDXUTNOJEJ-SFHVURJKSA-N 1 0 365.481 3.517 20 30 FHEDRO COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)c2)n1 ZINC000278742293 938718651 /nfs/dbraw/zinc/71/86/51/938718651.db2.gz NKBJPROWRSIKIA-CJNGLKHVSA-N 1 0 355.463 3.769 20 30 FHEDRO CC(C)(C)[NH+]1CCC(Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000468823583 945201568 /nfs/dbraw/zinc/20/15/68/945201568.db2.gz CKKORZTWRAQQAM-UHFFFAOYSA-N 1 0 368.525 3.944 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(C#N)CCCC2)C1 ZINC000044755282 945204060 /nfs/dbraw/zinc/20/40/60/945204060.db2.gz ILUBWRGJIATNIJ-QZTJIDSGSA-N 1 0 353.510 3.865 20 30 FHEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000584406792 938827819 /nfs/dbraw/zinc/82/78/19/938827819.db2.gz LFVWDHZNEWLQPY-UHFFFAOYSA-N 1 0 369.472 3.728 20 30 FHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000926582089 938974519 /nfs/dbraw/zinc/97/45/19/938974519.db2.gz ICKXUHWXBFTDDU-PMPSAXMXSA-N 1 0 367.559 3.789 20 30 FHEDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000611938882 938993460 /nfs/dbraw/zinc/99/34/60/938993460.db2.gz AYKUKSYCQQVAKB-GOEBONIOSA-N 1 0 368.506 3.931 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2cnccc2C)c1 ZINC000611938676 938993500 /nfs/dbraw/zinc/99/35/00/938993500.db2.gz GTMXXPMLRPFUSQ-RTBURBONSA-N 1 0 364.493 3.993 20 30 FHEDRO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000685550875 938999102 /nfs/dbraw/zinc/99/91/02/938999102.db2.gz MBTDXSOYSGJSBX-QFBILLFUSA-N 1 0 371.504 3.745 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000657983253 939016616 /nfs/dbraw/zinc/01/66/16/939016616.db2.gz RMRYLSBGDITGPN-WMZOPIPTSA-N 1 0 366.502 3.590 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000188009562 939016810 /nfs/dbraw/zinc/01/68/10/939016810.db2.gz CTGHWAWHIXXERC-IBGZPJMESA-N 1 0 367.518 3.851 20 30 FHEDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000188076385 939017660 /nfs/dbraw/zinc/01/76/60/939017660.db2.gz JARFPQVGEHINNW-UHFFFAOYSA-N 1 0 363.461 3.907 20 30 FHEDRO N#CCC[C@H](C#N)C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000612049643 939027322 /nfs/dbraw/zinc/02/73/22/939027322.db2.gz ZIXYYQWTLMJYOB-CQSZACIVSA-N 1 0 365.308 3.991 20 30 FHEDRO N#Cc1ccc(CC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612131625 939118330 /nfs/dbraw/zinc/11/83/30/939118330.db2.gz GIGGEPREGZMAJG-RJGXRXQPSA-N 1 0 373.500 3.518 20 30 FHEDRO CC(C)C[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C(=O)Nc1nccs1 ZINC000179436855 939159982 /nfs/dbraw/zinc/15/99/82/939159982.db2.gz UHZYIUVDDHVRSI-YOEHRIQHSA-N 1 0 372.494 3.577 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2Cl)[NH+](C)C)cc1 ZINC000506026460 945232480 /nfs/dbraw/zinc/23/24/80/945232480.db2.gz KMJYWHXJVPOXIA-IBGZPJMESA-N 1 0 355.869 3.807 20 30 FHEDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cccn2Cc2ccccc2C#N)C1 ZINC000188322613 939182594 /nfs/dbraw/zinc/18/25/94/939182594.db2.gz MDYJSYVYDDZHNR-LJQANCHMSA-N 1 0 373.504 3.596 20 30 FHEDRO N#CCc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1 ZINC000500433391 945255756 /nfs/dbraw/zinc/25/57/56/945255756.db2.gz BIDXSCHDAXITFC-DENIHFKCSA-N 1 0 362.477 3.642 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000506450026 945263001 /nfs/dbraw/zinc/26/30/01/945263001.db2.gz YGOHNTCUECVXNO-IBGZPJMESA-N 1 0 354.450 3.720 20 30 FHEDRO COc1cccc2c1OCC[C@@H]2[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000375836380 939958054 /nfs/dbraw/zinc/95/80/54/939958054.db2.gz CDJIQKDQVNIMTF-FQEVSTJZSA-N 1 0 363.461 3.649 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000612306858 939986520 /nfs/dbraw/zinc/98/65/20/939986520.db2.gz GRGHDWVPWLYYLL-FQEVSTJZSA-N 1 0 358.486 3.565 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccccc2Oc2ccccc2)CC1 ZINC000519301589 945290236 /nfs/dbraw/zinc/29/02/36/945290236.db2.gz MFEBDSQZPOXVET-UHFFFAOYSA-N 1 0 365.477 3.929 20 30 FHEDRO C[C@H](CCNC(=O)c1c(Cl)cc(C#N)cc1Cl)[NH+]1CCCCC1 ZINC000612383738 940035812 /nfs/dbraw/zinc/03/58/12/940035812.db2.gz JFCGMMQVSSRNMR-GFCCVEGCSA-N 1 0 354.281 3.859 20 30 FHEDRO Cc1ccnc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1C#N ZINC000544143345 945291797 /nfs/dbraw/zinc/29/17/97/945291797.db2.gz IFIQTGFSECRVPT-UHFFFAOYSA-N 1 0 373.298 3.592 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000065930944 940078875 /nfs/dbraw/zinc/07/88/75/940078875.db2.gz HPPHLALNFYSPRL-UHFFFAOYSA-N 1 0 372.472 3.553 20 30 FHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000548934536 940094636 /nfs/dbraw/zinc/09/46/36/940094636.db2.gz ISSQQKSGROQJPP-KOUNCHBCSA-N 1 0 359.473 3.585 20 30 FHEDRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000548936548 940113561 /nfs/dbraw/zinc/11/35/61/940113561.db2.gz HNQWNROTWKETIC-AWEZNQCLSA-N 1 0 362.882 3.726 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000365291688 940115225 /nfs/dbraw/zinc/11/52/25/940115225.db2.gz PXOWTSCRYJJQRU-ZWNOBZJWSA-N 1 0 355.385 3.646 20 30 FHEDRO N#CCC[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000570066463 940123705 /nfs/dbraw/zinc/12/37/05/940123705.db2.gz ZCPQEPRVPVONQB-SLFFLAALSA-N 1 0 354.498 3.595 20 30 FHEDRO N#Cc1c(F)ccc(C[NH2+]C[C@H]2CCCN(Cc3cccnc3)C2)c1Cl ZINC000365402408 940152314 /nfs/dbraw/zinc/15/23/14/940152314.db2.gz BLYFUYNNUICFLV-MRXNPFEDSA-N 1 0 372.875 3.748 20 30 FHEDRO CC(C)COC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179952747 940155123 /nfs/dbraw/zinc/15/51/23/940155123.db2.gz RPYFEGAQQYBOSD-UHFFFAOYSA-N 1 0 352.482 3.596 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000413825039 940160177 /nfs/dbraw/zinc/16/01/77/940160177.db2.gz FAIYEHVUELYQFE-OAQYLSRUSA-N 1 0 357.542 3.937 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000376003169 940171422 /nfs/dbraw/zinc/17/14/22/940171422.db2.gz JESBDZYTYDYTTR-RDTXWAMCSA-N 1 0 357.841 3.536 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1 ZINC000660599252 945300988 /nfs/dbraw/zinc/30/09/88/945300988.db2.gz HOSSVDQHVFQUJL-UHFFFAOYSA-N 1 0 356.297 3.833 20 30 FHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C#N)cc3OC)ccc2NC1=O ZINC000180017971 940249352 /nfs/dbraw/zinc/24/93/52/940249352.db2.gz BBWZHIOFIZWIPW-SCLBCKFNSA-N 1 0 365.433 3.527 20 30 FHEDRO Cn1cc(C[NH2+]CCc2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180028049 940270495 /nfs/dbraw/zinc/27/04/95/940270495.db2.gz VUKOGORPJOLCTR-UHFFFAOYSA-N 1 0 350.853 3.944 20 30 FHEDRO Cn1cc(C[NH+]2CCC(OC3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180025474 940272697 /nfs/dbraw/zinc/27/26/97/940272697.db2.gz QTBNDJLZUMYRBB-UHFFFAOYSA-N 1 0 364.493 3.882 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000066174468 940321543 /nfs/dbraw/zinc/32/15/43/940321543.db2.gz BIFZWUZIAOBPAN-UHFFFAOYSA-N 1 0 356.514 3.743 20 30 FHEDRO C=CCN1C(=O)N(CCC[NH+](C(C)C)C(C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431697653 940322516 /nfs/dbraw/zinc/32/25/16/940322516.db2.gz POLDHKJSBWDYFS-FQEVSTJZSA-N 1 0 371.525 3.557 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1 ZINC000376116492 940328733 /nfs/dbraw/zinc/32/87/33/940328733.db2.gz POASBKUEVHCYIW-ZMYBRWDISA-N 1 0 367.449 3.530 20 30 FHEDRO C=CCC[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000612895426 940331936 /nfs/dbraw/zinc/33/19/36/940331936.db2.gz DBRKRKAFUOTTAE-RDJZCZTQSA-N 1 0 355.404 3.764 20 30 FHEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000612906397 940333313 /nfs/dbraw/zinc/33/33/13/940333313.db2.gz XPDFFSFTPUQYEJ-WOJBJXKFSA-N 1 0 365.502 3.896 20 30 FHEDRO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cccc(C#N)c3)CC2)cs1 ZINC000376163529 940396065 /nfs/dbraw/zinc/39/60/65/940396065.db2.gz BXYJMEPVZGRENB-OAHLLOKOSA-N 1 0 354.523 3.886 20 30 FHEDRO CC[C@H](C#N)Oc1cc(CNc2cc[nH+]cc2-c2cccnc2)ccc1OC ZINC000376173960 940416688 /nfs/dbraw/zinc/41/66/88/940416688.db2.gz PWNIWWSIGJFUFE-GOSISDBHSA-N 1 0 374.444 3.867 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)O1 ZINC000376178683 940426811 /nfs/dbraw/zinc/42/68/11/940426811.db2.gz SVEAVUXMLFJXKO-NCYKPQTJSA-N 1 0 367.493 3.755 20 30 FHEDRO CN(C)c1ccccc1C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000580120660 940461544 /nfs/dbraw/zinc/46/15/44/940461544.db2.gz GRVKTTFOXZEVHM-UHFFFAOYSA-N 1 0 359.477 3.657 20 30 FHEDRO CN1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580486256 940476635 /nfs/dbraw/zinc/47/66/35/940476635.db2.gz WJRUPWHGZVBJTP-WOJBJXKFSA-N 1 0 373.859 3.765 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177929884 940485856 /nfs/dbraw/zinc/48/58/56/940485856.db2.gz RHFRKPGENMBYBA-LJQANCHMSA-N 1 0 372.468 3.759 20 30 FHEDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000581149351 940496243 /nfs/dbraw/zinc/49/62/43/940496243.db2.gz DQZQPBIUCIHFPM-UXHICEINSA-N 1 0 367.468 3.513 20 30 FHEDRO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000431786927 940498500 /nfs/dbraw/zinc/49/85/00/940498500.db2.gz UUKROKFRYYAADI-NRFANRHFSA-N 1 0 364.493 3.983 20 30 FHEDRO N#Cc1cnc2c(Cl)cccc2c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000581663848 940512075 /nfs/dbraw/zinc/51/20/75/940512075.db2.gz IVZNZLSPEHXOBE-UHFFFAOYSA-N 1 0 370.884 3.817 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCCOCc2ccc(Cl)cc2)cc1Cl ZINC000124881352 945331208 /nfs/dbraw/zinc/33/12/08/945331208.db2.gz WPJDURMZPVNGFG-UHFFFAOYSA-N 1 0 368.264 3.945 20 30 FHEDRO C=CC[N@@H+](CCc1nnnn1-c1ccccc1)Cc1ccc(Cl)s1 ZINC000613334183 940604394 /nfs/dbraw/zinc/60/43/94/940604394.db2.gz LXSGMESKTKRHKV-UHFFFAOYSA-N 1 0 359.886 3.608 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+]Cc3ccc(Oc4ccc(F)cc4)cc3)cnc12 ZINC000582110407 940647796 /nfs/dbraw/zinc/64/77/96/940647796.db2.gz HYIIFUDVBOXCPQ-UHFFFAOYSA-N 1 0 373.391 3.822 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000582450270 940672439 /nfs/dbraw/zinc/67/24/39/940672439.db2.gz LZAGLENKQIEVSB-UHFFFAOYSA-N 1 0 352.434 3.619 20 30 FHEDRO CC(C)(CC#N)C[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000414175363 940712853 /nfs/dbraw/zinc/71/28/53/940712853.db2.gz ZCVHSTWRFMPMDQ-LJQANCHMSA-N 1 0 374.481 3.848 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000582574920 940731435 /nfs/dbraw/zinc/73/14/35/940731435.db2.gz PURMBJWWNORBAI-QUCCMNQESA-N 1 0 355.869 3.755 20 30 FHEDRO CC[C@@H]1CN([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C[C@]2(CCOC2)O1 ZINC000330073955 945346008 /nfs/dbraw/zinc/34/60/08/945346008.db2.gz KWQYMKZJFFBHBG-IKVWTGGYSA-N 1 0 360.498 3.671 20 30 FHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000180188764 940787262 /nfs/dbraw/zinc/78/72/62/940787262.db2.gz YIWBNUBLACSHKT-RTBURBONSA-N 1 0 352.482 3.594 20 30 FHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440258642 945348536 /nfs/dbraw/zinc/34/85/36/945348536.db2.gz ISCAZKWYYKEJCU-SFHVURJKSA-N 1 0 364.411 3.580 20 30 FHEDRO C=CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000376340811 940803753 /nfs/dbraw/zinc/80/37/53/940803753.db2.gz MCRYGASFLBYHJO-UNMCSNQZSA-N 1 0 363.505 3.770 20 30 FHEDRO C=CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000376340809 940803853 /nfs/dbraw/zinc/80/38/53/940803853.db2.gz MCRYGASFLBYHJO-IRLDBZIGSA-N 1 0 363.505 3.770 20 30 FHEDRO Cn1cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180227790 940844114 /nfs/dbraw/zinc/84/41/14/940844114.db2.gz JCOLHAUTBSVKEN-NQIIRXRSSA-N 1 0 366.509 3.890 20 30 FHEDRO O=C(NCCc1cc2ccccc2o1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330100083 945356057 /nfs/dbraw/zinc/35/60/57/945356057.db2.gz DPQPHUZEGUATCS-UHFFFAOYSA-N 1 0 355.482 3.886 20 30 FHEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1cccs1 ZINC000180250161 940876020 /nfs/dbraw/zinc/87/60/20/940876020.db2.gz WZAODLDHPDALLS-HNNXBMFYSA-N 1 0 350.491 3.989 20 30 FHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000175528991 940877993 /nfs/dbraw/zinc/87/79/93/940877993.db2.gz LIKPCDFBVZDZHB-GOSISDBHSA-N 1 0 365.502 3.948 20 30 FHEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Oc1ccccc1F ZINC000180256328 940884269 /nfs/dbraw/zinc/88/42/69/940884269.db2.gz ICIHUACTRHLQHN-OAHLLOKOSA-N 1 0 364.424 3.655 20 30 FHEDRO N#CCSc1cccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000175570467 940886945 /nfs/dbraw/zinc/88/69/45/940886945.db2.gz LZCDKQPWLDEZKY-HXUWFJFHSA-N 1 0 365.502 3.869 20 30 FHEDRO C[C@H]([NH2+]CCC(=O)NC1CCCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363797314 940898403 /nfs/dbraw/zinc/89/84/03/940898403.db2.gz FXHWIPXHRKHIRA-AWEZNQCLSA-N 1 0 368.506 3.781 20 30 FHEDRO C[C@@H](O)C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180294234 940936839 /nfs/dbraw/zinc/93/68/39/940936839.db2.gz ZMXYNLUPLQYYBD-DYESRHJHSA-N 1 0 374.488 3.603 20 30 FHEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000330120761 945364615 /nfs/dbraw/zinc/36/46/15/945364615.db2.gz BFPOZFQWDQNCRQ-HIFRSBDPSA-N 1 0 351.516 3.793 20 30 FHEDRO Cc1ccccc1O[C@@H](C)CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330123321 945365459 /nfs/dbraw/zinc/36/54/59/945365459.db2.gz KTGYMFDOEOIANR-KRWDZBQOSA-N 1 0 359.514 3.673 20 30 FHEDRO N#Cc1ccccc1CSCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000180407118 941005661 /nfs/dbraw/zinc/00/56/61/941005661.db2.gz UCOSVPPQDFJOIK-UHFFFAOYSA-N 1 0 358.536 3.507 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000414349196 941019556 /nfs/dbraw/zinc/01/95/56/941019556.db2.gz OYKJCFLSLFNVSI-FQEVSTJZSA-N 1 0 364.468 3.535 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659029378 941029957 /nfs/dbraw/zinc/02/99/57/941029957.db2.gz HNUDRDISTDQOIP-OAQYLSRUSA-N 1 0 365.477 3.610 20 30 FHEDRO CSc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1F ZINC000158950757 941042129 /nfs/dbraw/zinc/04/21/29/941042129.db2.gz UDNUDFYOMYREKN-UHFFFAOYSA-N 1 0 371.481 3.623 20 30 FHEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659043295 941044366 /nfs/dbraw/zinc/04/43/66/941044366.db2.gz OCUNTRDWWXNBCS-OAQYLSRUSA-N 1 0 365.477 3.958 20 30 FHEDRO C=CC[C@@H]1N(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCCC1(C)C ZINC000659044423 941045125 /nfs/dbraw/zinc/04/51/25/941045125.db2.gz UFRCMMBWAGUUIN-OALUTQOASA-N 1 0 357.498 3.946 20 30 FHEDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000180713977 941066870 /nfs/dbraw/zinc/06/68/70/941066870.db2.gz HWCOLTMSHJPZJK-ZIAGYGMSSA-N 1 0 355.438 3.845 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Br)c3ccccc23)CC1 ZINC000180730967 941072001 /nfs/dbraw/zinc/07/20/01/941072001.db2.gz FDNRLNKECXJKJS-UHFFFAOYSA-N 1 0 371.278 3.886 20 30 FHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2ccccc2)c1 ZINC000180881153 941087889 /nfs/dbraw/zinc/08/78/89/941087889.db2.gz CAJKZYZQKKWIMN-XGNMISCSSA-N 1 0 361.445 3.531 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCc2ccc(OC)cc21)C(C)C ZINC000431830618 941093638 /nfs/dbraw/zinc/09/36/38/941093638.db2.gz KOGOXOYYMVROLG-PZJWPPBQSA-N 1 0 356.510 3.540 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)C2(C)CC2)c1C#N ZINC000177229044 941109574 /nfs/dbraw/zinc/10/95/74/941109574.db2.gz FCZKKXUKAASFBI-INIZCTEOSA-N 1 0 368.481 3.677 20 30 FHEDRO CCN(CCC[NH+](C)C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000188924577 941131379 /nfs/dbraw/zinc/13/13/79/941131379.db2.gz LWNAMMFMLNESKF-UHFFFAOYSA-N 1 0 365.477 3.551 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659281515 941145796 /nfs/dbraw/zinc/14/57/96/941145796.db2.gz UADBPYPRRBZURA-GOSISDBHSA-N 1 0 350.462 3.560 20 30 FHEDRO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CC2(c3ccccc3)CC2)c(C#N)c1C ZINC000189298965 941155801 /nfs/dbraw/zinc/15/58/01/941155801.db2.gz JTNAKCVKDVZEHC-OAHLLOKOSA-N 1 0 351.450 3.759 20 30 FHEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000189491669 941159120 /nfs/dbraw/zinc/15/91/20/941159120.db2.gz GQJRIXZVTGOABR-HUUCEWRRSA-N 1 0 351.541 3.829 20 30 FHEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000189743325 941271784 /nfs/dbraw/zinc/27/17/84/941271784.db2.gz BOJIWLWWWGCPHK-UHFFFAOYSA-N 1 0 358.486 3.685 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000178544958 941274357 /nfs/dbraw/zinc/27/43/57/941274357.db2.gz SLURBLSXTQCXIJ-IBGZPJMESA-N 1 0 362.477 3.553 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000178553625 941279182 /nfs/dbraw/zinc/27/91/82/941279182.db2.gz HSLOVULDHAVWGL-UHFFFAOYSA-N 1 0 354.429 3.602 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)Cn1nc(C(F)F)n(C)c1=S ZINC000782929104 941290728 /nfs/dbraw/zinc/29/07/28/941290728.db2.gz FBOMXOVMIMRISA-UHFFFAOYSA-N 1 0 365.453 3.876 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000178797883 941305661 /nfs/dbraw/zinc/30/56/61/941305661.db2.gz YXDVAKMAFDCGFG-MRXNPFEDSA-N 1 0 359.518 3.604 20 30 FHEDRO CCOCc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181476540 941328496 /nfs/dbraw/zinc/32/84/96/941328496.db2.gz IXEFVPKZKISULK-UHFFFAOYSA-N 1 0 363.505 3.849 20 30 FHEDRO C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181502230 941355849 /nfs/dbraw/zinc/35/58/49/941355849.db2.gz UOQWOLDEPJEXKE-APWZRJJASA-N 1 0 371.550 3.561 20 30 FHEDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000414562077 941374247 /nfs/dbraw/zinc/37/42/47/941374247.db2.gz BZWXVQQUGGBNQD-DYESRHJHSA-N 1 0 350.462 3.730 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000376661770 941375484 /nfs/dbraw/zinc/37/54/84/941375484.db2.gz UQARYGJMMIXOKP-RDJZCZTQSA-N 1 0 362.543 3.760 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000376671730 941376702 /nfs/dbraw/zinc/37/67/02/941376702.db2.gz KEIFSGMDHAIFOY-INIZCTEOSA-N 1 0 362.543 3.589 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000376708129 941385582 /nfs/dbraw/zinc/38/55/82/941385582.db2.gz YYIMEBGPBLXDSU-MJGOQNOKSA-N 1 0 356.514 3.669 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cnc4n3CCCC4)c2)c1 ZINC000376718781 941388674 /nfs/dbraw/zinc/38/86/74/941388674.db2.gz ZPNHBDDHTJTOBT-UHFFFAOYSA-N 1 0 372.472 3.960 20 30 FHEDRO C[C@@H](C[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000376738655 941399971 /nfs/dbraw/zinc/39/99/71/941399971.db2.gz FYKIGBUKBHQQBX-ZDUSSCGKSA-N 1 0 363.387 3.609 20 30 FHEDRO N#Cc1ccccc1COc1cccc(-c2nc(C3([NH3+])CCCC3)no2)c1 ZINC000414620636 941414868 /nfs/dbraw/zinc/41/48/68/941414868.db2.gz QHFKUPTVQFXZDP-UHFFFAOYSA-N 1 0 360.417 3.915 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000376775280 941425230 /nfs/dbraw/zinc/42/52/30/941425230.db2.gz BZHZECZVEDXPOD-UHFFFAOYSA-N 1 0 374.504 3.667 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000181526298 941431182 /nfs/dbraw/zinc/43/11/82/941431182.db2.gz UQZBTWCOAKVRBL-HZPDHXFCSA-N 1 0 363.461 3.627 20 30 FHEDRO C[C@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376928630 941468664 /nfs/dbraw/zinc/46/86/64/941468664.db2.gz CMVSDYLTVLNOKC-HKUYNNGSSA-N 1 0 356.514 3.526 20 30 FHEDRO C=CCCCCCCNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000377007483 941490552 /nfs/dbraw/zinc/49/05/52/941490552.db2.gz OAXZJSRFKYSVAP-UHFFFAOYSA-N 1 0 372.557 3.866 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)NCC(C)(C)CCC#N ZINC000377032863 941498461 /nfs/dbraw/zinc/49/84/61/941498461.db2.gz RZYAUORCNGUHRS-QUCCMNQESA-N 1 0 370.541 3.868 20 30 FHEDRO CN(C(=O)[C@H]1CC12CC[NH+](Cc1ccccc1C(C)(C)C#N)CC2)C1CC1 ZINC000377165791 941534236 /nfs/dbraw/zinc/53/42/36/941534236.db2.gz RMDHGPCPHRLMTB-HXUWFJFHSA-N 1 0 365.521 3.711 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415002428 941535710 /nfs/dbraw/zinc/53/57/10/941535710.db2.gz DLRKVHOYVHBUPB-DOTOQJQBSA-N 1 0 364.449 3.990 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415002004 941535797 /nfs/dbraw/zinc/53/57/97/941535797.db2.gz DDVVWQYHYMVDCE-PBHICJAKSA-N 1 0 350.422 3.599 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000415015951 941542888 /nfs/dbraw/zinc/54/28/88/941542888.db2.gz BPHSSCSLWIUQBQ-INIZCTEOSA-N 1 0 350.422 3.614 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000415020115 941545160 /nfs/dbraw/zinc/54/51/60/941545160.db2.gz JEVOVPJMLNZLHE-NRFANRHFSA-N 1 0 364.449 3.908 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H]1C[NH3+] ZINC000415014368 941546338 /nfs/dbraw/zinc/54/63/38/941546338.db2.gz WWFXVVQWIANRFE-RDJZCZTQSA-N 1 0 364.449 3.799 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000415028969 941550920 /nfs/dbraw/zinc/55/09/20/941550920.db2.gz ZOHAONIHKAXPOD-DNVCBOLYSA-N 1 0 364.449 3.860 20 30 FHEDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415031341 941553743 /nfs/dbraw/zinc/55/37/43/941553743.db2.gz DQRINKUZIDGKSL-SFHVURJKSA-N 1 0 352.438 3.845 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000415029772 941554018 /nfs/dbraw/zinc/55/40/18/941554018.db2.gz BMZYIKKMPCZSSF-OAQYLSRUSA-N 1 0 362.433 3.568 20 30 FHEDRO Cc1ccc(C)c(OC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000178304126 941554380 /nfs/dbraw/zinc/55/43/80/941554380.db2.gz YUZWSJBJWHCVCN-NRFANRHFSA-N 1 0 350.462 3.752 20 30 FHEDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415035334 941557825 /nfs/dbraw/zinc/55/78/25/941557825.db2.gz IPIYEVZKIBGMGA-FQEVSTJZSA-N 1 0 350.422 3.553 20 30 FHEDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415034849 941558110 /nfs/dbraw/zinc/55/81/10/941558110.db2.gz IFUWMAUCLBFCNY-OAHLLOKOSA-N 1 0 352.438 3.990 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H]1C[NH3+] ZINC000415038972 941559050 /nfs/dbraw/zinc/55/90/50/941559050.db2.gz MTNMYTHVOKQODR-NVXWUHKLSA-N 1 0 364.449 3.799 20 30 FHEDRO C(#Cc1ccccc1)C[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000892802612 941570061 /nfs/dbraw/zinc/57/00/61/941570061.db2.gz VEOXIAFOESBFPX-UHFFFAOYSA-N 1 0 371.484 3.947 20 30 FHEDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415057923 941570951 /nfs/dbraw/zinc/57/09/51/941570951.db2.gz HPNFGSJRHKUFNB-OAHLLOKOSA-N 1 0 352.438 3.779 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000415060245 941572035 /nfs/dbraw/zinc/57/20/35/941572035.db2.gz JUHKMVHGVNMKKQ-NVXWUHKLSA-N 1 0 364.449 3.860 20 30 FHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000415090969 941600961 /nfs/dbraw/zinc/60/09/61/941600961.db2.gz YGWLYWLDKOKGJR-AWEZNQCLSA-N 1 0 368.437 3.608 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415148418 941633898 /nfs/dbraw/zinc/63/38/98/941633898.db2.gz LBGSNHSPTLCZDD-HOCLYGCPSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H]1C[NH3+] ZINC000415152971 941635953 /nfs/dbraw/zinc/63/59/53/941635953.db2.gz VUCVGTSPROTWJX-MGPUTAFESA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000415151688 941639847 /nfs/dbraw/zinc/63/98/47/941639847.db2.gz ATDDLNWUSMWLTE-GDBMZVCRSA-N 1 0 354.479 3.902 20 30 FHEDRO C[NH2+]CCC1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000415159964 941643250 /nfs/dbraw/zinc/64/32/50/941643250.db2.gz KFVWRBYXRVKMRQ-HNNXBMFYSA-N 1 0 360.527 3.792 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000415167920 941645301 /nfs/dbraw/zinc/64/53/01/941645301.db2.gz UJYAPCMDRPCVOG-INIZCTEOSA-N 1 0 372.538 3.936 20 30 FHEDRO CCCN(C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC[NH2+]CC1 ZINC000415165534 941647245 /nfs/dbraw/zinc/64/72/45/941647245.db2.gz QSZBCOVQLJNZNS-OAHLLOKOSA-N 1 0 360.527 3.934 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415166593 941647623 /nfs/dbraw/zinc/64/76/23/941647623.db2.gz RPJPRIJFYWZBIG-WMLDXEAASA-N 1 0 360.527 3.838 20 30 FHEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000472747870 941668034 /nfs/dbraw/zinc/66/80/34/941668034.db2.gz IBBRFHFRHXGFTC-XJKSGUPXSA-N 1 0 371.262 3.755 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000415237504 941692351 /nfs/dbraw/zinc/69/23/51/941692351.db2.gz IVONSEZCOPTCSD-KRWDZBQOSA-N 1 0 368.412 3.691 20 30 FHEDRO COC(=O)C[C@](C)([NH2+]CCC(C)(C)C#N)c1ccc(Br)cc1 ZINC000513161718 941695365 /nfs/dbraw/zinc/69/53/65/941695365.db2.gz UYUOZYCAIHJZLP-KRWDZBQOSA-N 1 0 367.287 3.757 20 30 FHEDRO COc1ccc(OC)c(C[N@H+](Cc2ccc(OCC#N)cc2)C2CC2)c1 ZINC000729267534 941705422 /nfs/dbraw/zinc/70/54/22/941705422.db2.gz WJIQRTZJDBIJSF-UHFFFAOYSA-N 1 0 352.434 3.771 20 30 FHEDRO COc1ccc(C[N@H+](C)Cc2ccc(OCC#N)cc2)cc1OC(F)F ZINC000729267370 941705723 /nfs/dbraw/zinc/70/57/23/941705723.db2.gz SMAXUIYTPVUGCS-UHFFFAOYSA-N 1 0 362.376 3.831 20 30 FHEDRO COc1ccc2cc(/C=C\C(=O)N(CCC#N)CCC[NH+](C)C)ccc2c1 ZINC000729341462 941725091 /nfs/dbraw/zinc/72/50/91/941725091.db2.gz HCQADHGGZVAQDP-XFFZJAGNSA-N 1 0 365.477 3.556 20 30 FHEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549247680 941734551 /nfs/dbraw/zinc/73/45/51/941734551.db2.gz ASRVFIRXGVWQQV-UHFFFAOYSA-N 1 0 359.562 3.944 20 30 FHEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549248783 941743065 /nfs/dbraw/zinc/74/30/65/941743065.db2.gz XUMDGNQMEDLXRJ-UHFFFAOYSA-N 1 0 365.525 3.894 20 30 FHEDRO COc1cc2[nH]c(CCC[NH2+]Cc3ccc(C#N)s3)cc2c(OC)c1 ZINC000151143001 941761598 /nfs/dbraw/zinc/76/15/98/941761598.db2.gz KCOIJHANWBFYEA-UHFFFAOYSA-N 1 0 355.463 3.841 20 30 FHEDRO N#Cc1csc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000091857116 941774489 /nfs/dbraw/zinc/77/44/89/941774489.db2.gz NLBCEVWHRUGOAZ-CYBMUJFWSA-N 1 0 360.870 3.519 20 30 FHEDRO CN1CC[N@H+](CCCC2(C#N)CCOCC2)C[C@@H]1c1ccccc1Cl ZINC000377521920 941782606 /nfs/dbraw/zinc/78/26/06/941782606.db2.gz AVAPCDAVKJAZGC-LJQANCHMSA-N 1 0 361.917 3.729 20 30 FHEDRO C=CCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000467284350 941800337 /nfs/dbraw/zinc/80/03/37/941800337.db2.gz QOEVWSWKLCYQAL-UHFFFAOYSA-N 1 0 368.456 3.610 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cccc2C#N)[C@H]1c1cccs1 ZINC000513281065 941828372 /nfs/dbraw/zinc/82/83/72/941828372.db2.gz JKWGDBVNASIIIC-YWZLYKJASA-N 1 0 371.481 3.501 20 30 FHEDRO COc1cc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614682 941844829 /nfs/dbraw/zinc/84/48/29/941844829.db2.gz JPLVINXYZSBIBK-ROUUACIJSA-N 1 0 352.434 3.681 20 30 FHEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460566630 941847561 /nfs/dbraw/zinc/84/75/61/941847561.db2.gz SSBRBFWJNDJFQU-DNVCBOLYSA-N 1 0 371.529 3.898 20 30 FHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[NH+](C)C)cc1 ZINC000513364382 941870434 /nfs/dbraw/zinc/87/04/34/941870434.db2.gz NONFPBHFAHPUQG-HXUWFJFHSA-N 1 0 370.541 3.823 20 30 FHEDRO Cc1cc(C[C@H](C)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[nH]n1 ZINC000136806013 941872576 /nfs/dbraw/zinc/87/25/76/941872576.db2.gz KNKSYXICLPOGGQ-INIZCTEOSA-N 1 0 360.461 3.890 20 30 FHEDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415529384 941880965 /nfs/dbraw/zinc/88/09/65/941880965.db2.gz ARJTZHYAXRMUHQ-LJQANCHMSA-N 1 0 364.449 3.860 20 30 FHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415539194 941887022 /nfs/dbraw/zinc/88/70/22/941887022.db2.gz UMMRSTRPNIQJKF-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@H](C[NH3+])C1CC1 ZINC000415536833 941889112 /nfs/dbraw/zinc/88/91/12/941889112.db2.gz NOFKYPBWGXTLBT-GOSISDBHSA-N 1 0 350.422 3.552 20 30 FHEDRO CN1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000377682933 941897181 /nfs/dbraw/zinc/89/71/81/941897181.db2.gz TUADZIXJOVOVDK-RBUKOAKNSA-N 1 0 361.917 3.775 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000513416904 941913452 /nfs/dbraw/zinc/91/34/52/941913452.db2.gz RLHSFXNKMDTGIG-FMPZLKCCSA-N 1 0 367.497 3.533 20 30 FHEDRO Cc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000513458851 941947291 /nfs/dbraw/zinc/94/72/91/941947291.db2.gz VFUUMPFQLBTCHR-XMMPIXPASA-N 1 0 369.468 3.862 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)cc1 ZINC000728712200 941985987 /nfs/dbraw/zinc/98/59/87/941985987.db2.gz YLYJKPOEBSFQIH-HZPDHXFCSA-N 1 0 352.434 3.817 20 30 FHEDRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccoc2C)CC1)c1ccc(C#N)cc1 ZINC000365703335 942000896 /nfs/dbraw/zinc/00/08/96/942000896.db2.gz NMKZVXASQHYBKA-FQEVSTJZSA-N 1 0 351.450 3.805 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433957328 942016651 /nfs/dbraw/zinc/01/66/51/942016651.db2.gz IQWMWGOLSIJTAX-OAQYLSRUSA-N 1 0 368.525 3.743 20 30 FHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000513561116 942017493 /nfs/dbraw/zinc/01/74/93/942017493.db2.gz UCQAQVLBMGWMOF-HSZRJFAPSA-N 1 0 369.468 3.748 20 30 FHEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415801601 942059363 /nfs/dbraw/zinc/05/93/63/942059363.db2.gz GTOSDSZOSRLKDM-QGZVFWFLSA-N 1 0 366.490 3.925 20 30 FHEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccco1 ZINC000513683442 942074622 /nfs/dbraw/zinc/07/46/22/942074622.db2.gz KLFOXLGNDZUHNM-IBGZPJMESA-N 1 0 374.506 3.861 20 30 FHEDRO CCC[N@H+](C)[C@H](CNC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000501859212 942093743 /nfs/dbraw/zinc/09/37/43/942093743.db2.gz OTRQGLPDUHWKDH-MRXNPFEDSA-N 1 0 350.894 3.572 20 30 FHEDRO CCCc1cc[n+](C(C(=O)c2cc(F)c(C)cc2F)C(=S)NC)cc1 ZINC000267861517 942099687 /nfs/dbraw/zinc/09/96/87/942099687.db2.gz IURRUHJGIDOUGQ-UHFFFAOYSA-O 1 0 363.453 3.671 20 30 FHEDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000280185727 942128727 /nfs/dbraw/zinc/12/87/27/942128727.db2.gz YNDJVJHLMPLABP-HXUWFJFHSA-N 1 0 360.461 3.721 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)c1ccc(F)c(F)c1 ZINC000502047104 942198336 /nfs/dbraw/zinc/19/83/36/942198336.db2.gz ZHXIKUDJEQXXBM-KYNGSXCRSA-N 1 0 363.452 3.850 20 30 FHEDRO N#CCSCCC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280709193 942236780 /nfs/dbraw/zinc/23/67/80/942236780.db2.gz JDLXOXUTBJFZMH-CYBMUJFWSA-N 1 0 352.809 3.629 20 30 FHEDRO CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000420895279 942242383 /nfs/dbraw/zinc/24/23/83/942242383.db2.gz YRAKRMWTKGSVDJ-UHFFFAOYSA-N 1 0 362.543 3.663 20 30 FHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CCCC#N)c3ccccc3)CC[C@@H]21 ZINC000458809109 942245490 /nfs/dbraw/zinc/24/54/90/942245490.db2.gz ZWKRMNMCPRASDJ-AQNXPRMDSA-N 1 0 354.498 3.547 20 30 FHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(CN3CCOCC3)c2)C2CC2)cc1 ZINC000420903297 942246510 /nfs/dbraw/zinc/24/65/10/942246510.db2.gz NYVXMASWWVGVPL-UHFFFAOYSA-N 1 0 361.489 3.555 20 30 FHEDRO CCOc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000237017597 942272187 /nfs/dbraw/zinc/27/21/87/942272187.db2.gz ZBOANCUNKDFIKQ-SFHVURJKSA-N 1 0 353.441 3.855 20 30 FHEDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000501102905 942308421 /nfs/dbraw/zinc/30/84/21/942308421.db2.gz UFSOPFJZUNIBRW-UHFFFAOYSA-N 1 0 366.421 3.706 20 30 FHEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000421056114 942310678 /nfs/dbraw/zinc/31/06/78/942310678.db2.gz HORUMTQGQBOIHY-SFHVURJKSA-N 1 0 364.449 3.908 20 30 FHEDRO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419602222 942320656 /nfs/dbraw/zinc/32/06/56/942320656.db2.gz ABBJGAACIGRHAC-HXUWFJFHSA-N 1 0 356.514 3.699 20 30 FHEDRO C[NH+](C)C1(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCCCC1 ZINC000502274921 942325413 /nfs/dbraw/zinc/32/54/13/942325413.db2.gz IRJUTFXAMFRBMG-UHFFFAOYSA-N 1 0 366.509 3.621 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)NCc2ccc(C#N)s2)cc1 ZINC000421071855 942330289 /nfs/dbraw/zinc/33/02/89/942330289.db2.gz VNIRDBRRKJNZHU-UHFFFAOYSA-N 1 0 372.494 3.662 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000416092193 942332587 /nfs/dbraw/zinc/33/25/87/942332587.db2.gz BJRXQIPQBKVFLV-QFIPXVFZSA-N 1 0 359.473 3.961 20 30 FHEDRO N#Cc1cccc(C2(NC(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000481098962 942335534 /nfs/dbraw/zinc/33/55/34/942335534.db2.gz BLCJVUUEJSHJKR-OAQYLSRUSA-N 1 0 374.488 3.511 20 30 FHEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000421098940 942340364 /nfs/dbraw/zinc/34/03/64/942340364.db2.gz ZPSLHTXIXCVBAU-SFHVURJKSA-N 1 0 364.449 3.908 20 30 FHEDRO C[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000502302566 942343206 /nfs/dbraw/zinc/34/32/06/942343206.db2.gz IWNHBDGZXMJDHC-ROUUACIJSA-N 1 0 366.509 3.620 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C#N)cc1Cl ZINC000378181981 942359762 /nfs/dbraw/zinc/35/97/62/942359762.db2.gz GUJFSUQNUPGGKZ-CQSZACIVSA-N 1 0 365.868 3.798 20 30 FHEDRO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC001269726894 942409401 /nfs/dbraw/zinc/40/94/01/942409401.db2.gz ZZYPBBNNXZWHKM-GOSISDBHSA-N 1 0 355.526 3.850 20 30 FHEDRO N#Cc1ccc([N+](=O)[O-])c(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000366853589 942457587 /nfs/dbraw/zinc/45/75/87/942457587.db2.gz CDDZKJJHWMTKHY-UHFFFAOYSA-N 1 0 368.359 3.684 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000505327758 942485273 /nfs/dbraw/zinc/48/52/73/942485273.db2.gz YNGNGPXLFLSFIA-GOSISDBHSA-N 1 0 369.896 3.895 20 30 FHEDRO C[C@H]1C[NH+](Cc2cccc(NCc3ccc(C#N)c(F)c3)c2)C[C@H](C)O1 ZINC000421343541 942497108 /nfs/dbraw/zinc/49/71/08/942497108.db2.gz ZPUCZMZBWBECRB-HOTGVXAUSA-N 1 0 353.441 3.919 20 30 FHEDRO N#Cc1ccc(CNc2ccc(CC[NH+]3CCSCC3)cc2)cc1F ZINC000421343491 942497339 /nfs/dbraw/zinc/49/73/39/942497339.db2.gz ZLUPLUGAMXATBI-UHFFFAOYSA-N 1 0 355.482 3.901 20 30 FHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C)c1C#N ZINC000501500153 942510962 /nfs/dbraw/zinc/51/09/62/942510962.db2.gz DFPRTLDVRTZVKX-BFUOFWGJSA-N 1 0 368.456 3.822 20 30 FHEDRO N#Cc1ccccc1OCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502536296 942513139 /nfs/dbraw/zinc/51/31/39/942513139.db2.gz UPSUSSPIIGJNPJ-FQEVSTJZSA-N 1 0 356.853 3.582 20 30 FHEDRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000502603510 942575316 /nfs/dbraw/zinc/57/53/16/942575316.db2.gz XIRXKCOPRWFKGI-FQEVSTJZSA-N 1 0 372.465 3.658 20 30 FHEDRO Cc1ncc(-c2ccccc2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000378322251 942587982 /nfs/dbraw/zinc/58/79/82/942587982.db2.gz DLRDCFMQUBCUNR-UHFFFAOYSA-N 1 0 365.481 3.756 20 30 FHEDRO O=C(NCC#Cc1cccc(F)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000513917408 942607834 /nfs/dbraw/zinc/60/78/34/942607834.db2.gz WCUBCCNHHXHTCC-UHFFFAOYSA-N 1 0 350.437 3.593 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000501708194 942631613 /nfs/dbraw/zinc/63/16/13/942631613.db2.gz GPEYXOMFAGFUJI-KDURUIRLSA-N 1 0 370.541 3.848 20 30 FHEDRO Cc1c(C#N)c(C#N)ccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000421563663 942649006 /nfs/dbraw/zinc/64/90/06/942649006.db2.gz XUCKYICXKJPAED-IBGZPJMESA-N 1 0 358.445 3.589 20 30 FHEDRO COCC[N@H+](C)CCCC1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000501783827 942671740 /nfs/dbraw/zinc/67/17/40/942671740.db2.gz AMZWQWZCADHNHT-UHFFFAOYSA-N 1 0 362.945 3.762 20 30 FHEDRO CN(C(=O)c1cn(CCCC#N)c2ccccc12)C(C)(C)C[NH+]1CCCC1 ZINC000416334408 942676454 /nfs/dbraw/zinc/67/64/54/942676454.db2.gz PWHKBZZAUDQGCE-UHFFFAOYSA-N 1 0 366.509 3.891 20 30 FHEDRO C=CCOc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000501824841 942693144 /nfs/dbraw/zinc/69/31/44/942693144.db2.gz IEZRRPDLLOJKLS-PKOBYXMFSA-N 1 0 371.525 3.704 20 30 FHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000502753660 942718928 /nfs/dbraw/zinc/71/89/28/942718928.db2.gz OLKXKVXAQKWMMU-LJQANCHMSA-N 1 0 360.417 3.990 20 30 FHEDRO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000425086909 942720630 /nfs/dbraw/zinc/72/06/30/942720630.db2.gz NTQKHVHZEQWVGZ-DZKIICNBSA-N 1 0 367.415 3.676 20 30 FHEDRO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000425086910 942720678 /nfs/dbraw/zinc/72/06/78/942720678.db2.gz NTQKHVHZEQWVGZ-LZWOXQAQSA-N 1 0 367.415 3.676 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC000481148470 942729038 /nfs/dbraw/zinc/72/90/38/942729038.db2.gz WXTZISORFLXJFV-BBRMVZONSA-N 1 0 350.304 3.625 20 30 FHEDRO C=CCCCCCCCCC(=O)N1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001269810474 942765217 /nfs/dbraw/zinc/76/52/17/942765217.db2.gz WFQLOFLEPOFOJS-UHFFFAOYSA-N 1 0 363.590 3.779 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)c2ccccc2n1 ZINC000378454409 942782052 /nfs/dbraw/zinc/78/20/52/942782052.db2.gz PLPMUPNJICWDDU-UIXUWTQFSA-N 1 0 351.450 3.573 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)O1 ZINC000378451133 942783499 /nfs/dbraw/zinc/78/34/99/942783499.db2.gz DDZDQAUNCCSHLF-HSFUPAIVSA-N 1 0 369.292 3.856 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)O1 ZINC000378453928 942786729 /nfs/dbraw/zinc/78/67/29/942786729.db2.gz OQWGAEYHGMPSNG-AKHDSKFASA-N 1 0 362.395 3.886 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@H](c2ccccc2)N2CCCC2)O1 ZINC000378457437 942790680 /nfs/dbraw/zinc/79/06/80/942790680.db2.gz VPNJOUIUVFQTGL-LMYCIYFBSA-N 1 0 353.510 3.653 20 30 FHEDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000514169519 942797151 /nfs/dbraw/zinc/79/71/51/942797151.db2.gz IVNYQFKOJGYVJC-GOSISDBHSA-N 1 0 353.491 3.964 20 30 FHEDRO CC(C)[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000513758432 942802051 /nfs/dbraw/zinc/80/20/51/942802051.db2.gz BUOHSFPHGVOCPR-HXUWFJFHSA-N 1 0 355.869 3.815 20 30 FHEDRO Cc1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)ccc1C#N ZINC000511553779 942823364 /nfs/dbraw/zinc/82/33/64/942823364.db2.gz KEAYBBVKZANVHU-SFHVURJKSA-N 1 0 359.267 3.627 20 30 FHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c(C#N)c1C ZINC000378504942 942838914 /nfs/dbraw/zinc/83/89/14/942838914.db2.gz CIOIMTNCHBMFLM-LPHOPBHVSA-N 1 0 369.490 3.543 20 30 FHEDRO Cc1ccccc1[C@@]1(F)CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000502903950 942844668 /nfs/dbraw/zinc/84/46/68/942844668.db2.gz PHXQDGREODPRNO-OAQYLSRUSA-N 1 0 351.425 3.766 20 30 FHEDRO CCCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001269833398 942846042 /nfs/dbraw/zinc/84/60/42/942846042.db2.gz ZITBSBCSDUEAQN-BGYRXZFFSA-N 1 0 351.579 3.754 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000190191296 942850149 /nfs/dbraw/zinc/85/01/49/942850149.db2.gz AFLVSRLIPIIOQV-OAHLLOKOSA-N 1 0 353.388 3.797 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1C(F)(F)F ZINC000190182210 942854670 /nfs/dbraw/zinc/85/46/70/942854670.db2.gz ILXPWFRWJRWWSU-OAHLLOKOSA-N 1 0 353.388 3.797 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425131580 942856130 /nfs/dbraw/zinc/85/61/30/942856130.db2.gz PZWXUXWIRGIPKE-AVRDEDQJSA-N 1 0 361.489 3.990 20 30 FHEDRO Cc1ccccc1[C@]1(F)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945126 942862655 /nfs/dbraw/zinc/86/26/55/942862655.db2.gz VPVZBYROWIDHSR-IRLDBZIGSA-N 1 0 363.436 3.543 20 30 FHEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466927075 942862919 /nfs/dbraw/zinc/86/29/19/942862919.db2.gz OJVFPLKSXXHBPJ-IAGOWNOFSA-N 1 0 369.534 3.916 20 30 FHEDRO N#Cc1ccc2ncc(CN3CCC(OCc4ccccc4F)CC3)n2c1 ZINC000378537103 942870177 /nfs/dbraw/zinc/87/01/77/942870177.db2.gz JBAGPSOHFFCHDX-UHFFFAOYSA-N 1 0 364.424 3.526 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(C#N)c1 ZINC000378549982 942880715 /nfs/dbraw/zinc/88/07/15/942880715.db2.gz LOIGGPVJRDGZPJ-AUUYWEPGSA-N 1 0 361.424 3.621 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000163951848 942883503 /nfs/dbraw/zinc/88/35/03/942883503.db2.gz JOIVJMRQPYBTOC-KRWDZBQOSA-N 1 0 353.491 3.570 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000163951940 942883659 /nfs/dbraw/zinc/88/36/59/942883659.db2.gz JOIVJMRQPYBTOC-QGZVFWFLSA-N 1 0 353.491 3.570 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cc1 ZINC000236678661 942916205 /nfs/dbraw/zinc/91/62/05/942916205.db2.gz JOPKJXYDGVVPIM-SFHVURJKSA-N 1 0 364.493 3.899 20 30 FHEDRO C=CCC[C@H](O)C[NH+]1CCC2(C[C@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000363878643 942928066 /nfs/dbraw/zinc/92/80/66/942928066.db2.gz KHFUYMFJDMFHCW-ROUUACIJSA-N 1 0 371.456 3.772 20 30 FHEDRO C[NH+](C)C1CCC(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000422007277 942936326 /nfs/dbraw/zinc/93/63/26/942936326.db2.gz NDHSKDKXDPQQFO-UHFFFAOYSA-N 1 0 362.477 3.904 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000664444345 942942630 /nfs/dbraw/zinc/94/26/30/942942630.db2.gz KEWXRDDEKNNRJX-BGYRXZFFSA-N 1 0 368.525 3.852 20 30 FHEDRO Fc1ccc(C(F)(F)F)cc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000434788279 942967829 /nfs/dbraw/zinc/96/78/29/942967829.db2.gz UBOHRXBWZGLLEY-UHFFFAOYSA-N 1 0 351.237 3.851 20 30 FHEDRO C=CCN1C(=O)c2ccccc2N[C@H]1c1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000378645022 942992207 /nfs/dbraw/zinc/99/22/07/942992207.db2.gz ZJJSNPWCJZXRDP-GOSISDBHSA-N 1 0 368.506 3.662 20 30 FHEDRO C[C@@H](CCNC(=O)C1(c2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000434841078 942996786 /nfs/dbraw/zinc/99/67/86/942996786.db2.gz DZRSIZAKFTXTQB-SFHVURJKSA-N 1 0 361.489 3.617 20 30 FHEDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000434868853 943019113 /nfs/dbraw/zinc/01/91/13/943019113.db2.gz KYKLJRPSYMGFRS-KSSFIOAISA-N 1 0 369.490 3.863 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccsc1 ZINC000416680490 943036637 /nfs/dbraw/zinc/03/66/37/943036637.db2.gz IFQCCEGJBMREHI-RBUKOAKNSA-N 1 0 368.506 3.599 20 30 FHEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000434907796 943045064 /nfs/dbraw/zinc/04/50/64/943045064.db2.gz UDEKBHWOTNJYNJ-HSZRJFAPSA-N 1 0 361.489 3.519 20 30 FHEDRO C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000416699474 943049721 /nfs/dbraw/zinc/04/97/21/943049721.db2.gz XQKJEGVDWCIMJZ-OALUTQOASA-N 1 0 356.514 3.601 20 30 FHEDRO CC[C@H]([NH2+][C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(C#N)cc1 ZINC000365823567 943063189 /nfs/dbraw/zinc/06/31/89/943063189.db2.gz MEPAEOHPDMMLEF-RTWAWAEBSA-N 1 0 371.488 3.796 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000363937925 943101058 /nfs/dbraw/zinc/10/10/58/943101058.db2.gz IZUNBYWMVTVFGQ-APWZRJJASA-N 1 0 370.884 3.957 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC(C)(C#N)CC2)C1 ZINC000272388028 943147959 /nfs/dbraw/zinc/14/79/59/943147959.db2.gz HVVVESSYTZGVRI-SFHVURJKSA-N 1 0 368.525 3.754 20 30 FHEDRO N#Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ccc1C(F)(F)F ZINC000425270891 943147996 /nfs/dbraw/zinc/14/79/96/943147996.db2.gz BFPPZEIWNYZNDB-MAUKXSAKSA-N 1 0 372.394 3.683 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1ccc(F)cc1F)C(C)C ZINC000503440841 943185789 /nfs/dbraw/zinc/18/57/89/943185789.db2.gz VRPFKUBIQCIZRI-LJQANCHMSA-N 1 0 365.468 3.805 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435139959 943200811 /nfs/dbraw/zinc/20/08/11/943200811.db2.gz YNPTUEHPRPPYNJ-NRFANRHFSA-N 1 0 372.476 3.545 20 30 FHEDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503469098 943203687 /nfs/dbraw/zinc/20/36/87/943203687.db2.gz YMMFVUNESSZRKZ-HZUKXOBISA-N 1 0 363.552 3.699 20 30 FHEDRO Cn1nccc1[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000514708944 943237890 /nfs/dbraw/zinc/23/78/90/943237890.db2.gz FPSOXTFQKMQGSN-MRXNPFEDSA-N 1 0 363.383 3.550 20 30 FHEDRO [NH2+]=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)Nc1ccccc1 ZINC000261878328 943251026 /nfs/dbraw/zinc/25/10/26/943251026.db2.gz QIMXMRKUBCAXCM-AWEZNQCLSA-N 1 0 373.298 3.702 20 30 FHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccncc1C#N)C1CCCCC1 ZINC000828193738 943258142 /nfs/dbraw/zinc/25/81/42/943258142.db2.gz WNMIHLGZNRWUJQ-SFHVURJKSA-N 1 0 358.486 3.516 20 30 FHEDRO COCC[N@H+](C)CC[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000505640609 943275232 /nfs/dbraw/zinc/27/52/32/943275232.db2.gz XFNJJEFKAPHZNB-LJQANCHMSA-N 1 0 359.420 3.958 20 30 FHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431918803 943332578 /nfs/dbraw/zinc/33/25/78/943332578.db2.gz MCCOZRUZRGJHGV-GGPKGHCWSA-N 1 0 356.514 3.984 20 30 FHEDRO N#CCCCn1cc(C(=O)NCCC[NH+]2CCCCCC2)c2ccccc21 ZINC000435348053 943348245 /nfs/dbraw/zinc/34/82/45/943348245.db2.gz RMHUUYNKPDNXDF-UHFFFAOYSA-N 1 0 366.509 3.941 20 30 FHEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)C1 ZINC000514908448 943378894 /nfs/dbraw/zinc/37/88/94/943378894.db2.gz BESBZNUCIJXUOJ-NQIIRXRSSA-N 1 0 357.461 3.775 20 30 FHEDRO C=CCOc1ccc(CN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423105903 943402139 /nfs/dbraw/zinc/40/21/39/943402139.db2.gz NREQQFBGTRQUMZ-VXKWHMMOSA-N 1 0 352.478 3.843 20 30 FHEDRO C=CCOc1ccc(CN(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435424069 943404380 /nfs/dbraw/zinc/40/43/80/943404380.db2.gz XTRRFSFHPCKUED-GOSISDBHSA-N 1 0 357.523 3.628 20 30 FHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1CCC(C#N)CC1)[NH+](C)C ZINC000503919571 943408060 /nfs/dbraw/zinc/40/80/60/943408060.db2.gz GVGRNKUVENZGMV-KMEYYKJISA-N 1 0 356.514 3.615 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000435461700 943426467 /nfs/dbraw/zinc/42/64/67/943426467.db2.gz YAVHSCVGUCIVBV-UHFFFAOYSA-N 1 0 351.450 3.766 20 30 FHEDRO C[C@H](NC(=O)NCC1CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000515004352 943445561 /nfs/dbraw/zinc/44/55/61/943445561.db2.gz LEZKPESMCODKIG-INIZCTEOSA-N 1 0 362.477 3.585 20 30 FHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000515043076 943470335 /nfs/dbraw/zinc/47/03/35/943470335.db2.gz KDGLJCXHBDFEOA-BHDDXSALSA-N 1 0 359.473 3.615 20 30 FHEDRO C=CCOCCC(=O)N1CCC2(C[NH+](C[C@H](CC)CCCC)C2)CC1 ZINC001269982435 943474627 /nfs/dbraw/zinc/47/46/27/943474627.db2.gz LLMSKACNAYYSFD-LJQANCHMSA-N 1 0 350.547 3.720 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1C#N ZINC000435546039 943479892 /nfs/dbraw/zinc/47/98/92/943479892.db2.gz ZJDAPVXNUVODDY-UHFFFAOYSA-N 1 0 360.502 3.976 20 30 FHEDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000584748289 943533271 /nfs/dbraw/zinc/53/32/71/943533271.db2.gz IVPCXESYWZWPFR-UHFFFAOYSA-N 1 0 354.479 3.706 20 30 FHEDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000417368263 943550872 /nfs/dbraw/zinc/55/08/72/943550872.db2.gz PRUDRGSAZPUIPV-FQEVSTJZSA-N 1 0 353.510 3.952 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000435725644 943582345 /nfs/dbraw/zinc/58/23/45/943582345.db2.gz HUXIBFRBIPBNOX-SJKOYZFVSA-N 1 0 367.280 3.645 20 30 FHEDRO N#CCCC[C@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000515279394 943608361 /nfs/dbraw/zinc/60/83/61/943608361.db2.gz CQDJYXMUJRTLSP-YPTCHGKGSA-N 1 0 365.521 3.952 20 30 FHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCSC[C@@H](C)C2)c1C#N ZINC000584815841 943669129 /nfs/dbraw/zinc/66/91/29/943669129.db2.gz GBCVDUUJJWNMNN-AWEZNQCLSA-N 1 0 374.554 3.715 20 30 FHEDRO CC[C@](C)(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000504580292 943677409 /nfs/dbraw/zinc/67/74/09/943677409.db2.gz RZIHRKYOGHMOBS-HSZRJFAPSA-N 1 0 361.489 3.860 20 30 FHEDRO CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000424100188 943717891 /nfs/dbraw/zinc/71/78/91/943717891.db2.gz NHKQWKKFDDXTHO-INIZCTEOSA-N 1 0 356.495 3.968 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000558098382 943722069 /nfs/dbraw/zinc/72/20/69/943722069.db2.gz KECJNYBNTFJLBR-GUYCJALGSA-N 1 0 350.304 3.625 20 30 FHEDRO C=CCNC(=O)c1ccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000424088404 943724471 /nfs/dbraw/zinc/72/44/71/943724471.db2.gz GVBDTJAWRJABQF-GOSISDBHSA-N 1 0 357.498 3.619 20 30 FHEDRO C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000424094947 943729329 /nfs/dbraw/zinc/72/93/29/943729329.db2.gz MNMXGTRPYFROOH-RDTXWAMCSA-N 1 0 355.413 3.816 20 30 FHEDRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424109075 943735435 /nfs/dbraw/zinc/73/54/35/943735435.db2.gz ZFGSBCFGOJHPSU-OAHLLOKOSA-N 1 0 371.412 3.895 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 ZINC000424110652 943737022 /nfs/dbraw/zinc/73/70/22/943737022.db2.gz DDDOYHAWKUHXQV-OAHLLOKOSA-N 1 0 372.469 3.710 20 30 FHEDRO Cc1csc(Sc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)c(C)c2)n1 ZINC000424113941 943738462 /nfs/dbraw/zinc/73/84/62/943738462.db2.gz PEGPBPIHXIGUHT-CQSZACIVSA-N 1 0 360.508 3.871 20 30 FHEDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424121642 943742789 /nfs/dbraw/zinc/74/27/89/943742789.db2.gz ILXDGTZJQFVXAG-HZPDHXFCSA-N 1 0 351.878 3.573 20 30 FHEDRO CC(C)(C)Oc1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c(C(F)(F)F)c1 ZINC000424122891 943743606 /nfs/dbraw/zinc/74/36/06/943743606.db2.gz JIYVHHPYEMCKMG-HNNXBMFYSA-N 1 0 371.403 3.520 20 30 FHEDRO Cc1ccc(-n2c3ccc(C)cc3nc2NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424124102 943744455 /nfs/dbraw/zinc/74/44/55/943744455.db2.gz LVNSTJCFXUCJMN-QGZVFWFLSA-N 1 0 361.449 3.602 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000424170803 943773074 /nfs/dbraw/zinc/77/30/74/943773074.db2.gz JRYLDJPDIBRYHJ-AAEUAGOBSA-N 1 0 362.214 3.731 20 30 FHEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000424207894 943789758 /nfs/dbraw/zinc/78/97/58/943789758.db2.gz XTGKPSCDWPPPDM-WMLDXEAASA-N 1 0 362.315 3.695 20 30 FHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000424234943 943799462 /nfs/dbraw/zinc/79/94/62/943799462.db2.gz DWGRXGWZZOMGBF-DLBZAZTESA-N 1 0 363.575 3.590 20 30 FHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000424234963 943799603 /nfs/dbraw/zinc/79/96/03/943799603.db2.gz DWGRXGWZZOMGBF-SJORKVTESA-N 1 0 363.575 3.590 20 30 FHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC2([S@@](C)=O)CCC2)cc1 ZINC000435879590 943814576 /nfs/dbraw/zinc/81/45/76/943814576.db2.gz DKHLNLHEQGYVGX-AREMUKBSSA-N 1 0 369.534 3.854 20 30 FHEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000424295887 943825196 /nfs/dbraw/zinc/82/51/96/943825196.db2.gz NRDINLTUQPLGME-IAGOWNOFSA-N 1 0 350.388 3.909 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000424298714 943826426 /nfs/dbraw/zinc/82/64/26/943826426.db2.gz TUNALUKMYCHKRK-SZMVWBNQSA-N 1 0 350.300 3.951 20 30 FHEDRO C=CCOc1ccc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000437469099 943840923 /nfs/dbraw/zinc/84/09/23/943840923.db2.gz GHXLVQSYJMZPSL-IBGZPJMESA-N 1 0 364.489 3.988 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000437504569 943868453 /nfs/dbraw/zinc/86/84/53/943868453.db2.gz MBPGRSPBRWONCH-DLBZAZTESA-N 1 0 363.914 3.900 20 30 FHEDRO CO[C@H](C)c1nc(CN2CCC[N@H+](CCCC(C)(C)C#N)CC2)cs1 ZINC000437515867 943874909 /nfs/dbraw/zinc/87/49/09/943874909.db2.gz NYGBVRNFWISVKP-MRXNPFEDSA-N 1 0 364.559 3.688 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000517030516 943928037 /nfs/dbraw/zinc/92/80/37/943928037.db2.gz XAJRCQJBVLEKDP-QGZVFWFLSA-N 1 0 360.461 3.916 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000436002196 943934271 /nfs/dbraw/zinc/93/42/71/943934271.db2.gz DQACDNDJAHFVQW-NWDGAFQWSA-N 1 0 357.317 3.750 20 30 FHEDRO N#Cc1cccc(OC2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000515491657 943938661 /nfs/dbraw/zinc/93/86/61/943938661.db2.gz JRQGKQYQKVUDLB-OAQYLSRUSA-N 1 0 361.489 3.676 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000515507665 943940803 /nfs/dbraw/zinc/94/08/03/943940803.db2.gz ISRVJKDQNAWGDD-UNJBNNCHSA-N 1 0 359.495 3.516 20 30 FHEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000417910218 943946366 /nfs/dbraw/zinc/94/63/66/943946366.db2.gz FKAAOQNRQYRWOK-PMACEKPBSA-N 1 0 350.466 3.593 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000417909287 943946432 /nfs/dbraw/zinc/94/64/32/943946432.db2.gz CHWBNTLQLKLHQH-INIZCTEOSA-N 1 0 355.404 3.718 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CC[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417933757 943974036 /nfs/dbraw/zinc/97/40/36/943974036.db2.gz OTVHWOITGFXLAY-CZUORRHYSA-N 1 0 355.404 3.703 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CC[C@H]([NH2+]C)C1)c1ccc(C(F)(F)F)cc1 ZINC000417930238 943977340 /nfs/dbraw/zinc/97/73/40/943977340.db2.gz JQSXWAPNCNDBGZ-JKSUJKDBSA-N 1 0 355.404 3.716 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000505057048 943999144 /nfs/dbraw/zinc/99/91/44/943999144.db2.gz GIOCRMGBQCWOBV-LJQANCHMSA-N 1 0 359.514 3.770 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000500063568 944038470 /nfs/dbraw/zinc/03/84/70/944038470.db2.gz MNOBKBGWDXVEAZ-UHFFFAOYSA-N 1 0 364.465 3.702 20 30 FHEDRO CCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000436134303 944046786 /nfs/dbraw/zinc/04/67/86/944046786.db2.gz DDZVSPWNILUSDP-CRAIPNDOSA-N 1 0 351.450 3.757 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417997982 944047022 /nfs/dbraw/zinc/04/70/22/944047022.db2.gz SQQQEEFMMGHOEP-AOMKIAJQSA-N 1 0 362.477 3.667 20 30 FHEDRO C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417994164 944051613 /nfs/dbraw/zinc/05/16/13/944051613.db2.gz ORVPKBHQQADUFX-FZKQIMNGSA-N 1 0 372.419 3.568 20 30 FHEDRO N#Cc1cccc(F)c1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000505134465 944064529 /nfs/dbraw/zinc/06/45/29/944064529.db2.gz GKFXOJVMUMBADS-UHFFFAOYSA-N 1 0 357.473 3.545 20 30 FHEDRO C=CCn1c(COc2ccccc2)nnc1SCCC[NH+]1CCCC1 ZINC000436190094 944083643 /nfs/dbraw/zinc/08/36/43/944083643.db2.gz YOAFFVOTGGEWCN-UHFFFAOYSA-N 1 0 358.511 3.621 20 30 FHEDRO C=CCC1(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424766886 944105939 /nfs/dbraw/zinc/10/59/39/944105939.db2.gz KLKAOHGTZWWTQY-PZJWPPBQSA-N 1 0 370.537 3.776 20 30 FHEDRO N#Cc1c(Cl)nsc1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000092649856 944129501 /nfs/dbraw/zinc/12/95/01/944129501.db2.gz DJTNDDHCOSZGNF-UHFFFAOYSA-N 1 0 350.900 3.961 20 30 FHEDRO CC[N@H+](Cc1ccc(C(=O)N(CCC#N)Cc2ccccn2)cc1)C1CC1 ZINC000505201546 944131821 /nfs/dbraw/zinc/13/18/21/944131821.db2.gz VIWMSJKXDHWLGK-UHFFFAOYSA-N 1 0 362.477 3.622 20 30 FHEDRO CC1CC[NH+](Cc2ccc(C/N=C/c3ccc(O)c(O)c3O)cc2)CC1 ZINC000123114445 944135753 /nfs/dbraw/zinc/13/57/53/944135753.db2.gz MTJRNMAWYRUQIZ-LPYMAVHISA-N 1 0 354.450 3.654 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CC23CC3)cc1OC ZINC000418093716 944148932 /nfs/dbraw/zinc/14/89/32/944148932.db2.gz JGFXNSLVZZGJBE-CYBMUJFWSA-N 1 0 352.272 3.912 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC23CC3)cc1OC ZINC000418093720 944149115 /nfs/dbraw/zinc/14/91/15/944149115.db2.gz JGFXNSLVZZGJBE-ZDUSSCGKSA-N 1 0 352.272 3.912 20 30 FHEDRO N#Cc1ccc([C@@H](C(N)=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1 ZINC000500158810 944183401 /nfs/dbraw/zinc/18/34/01/944183401.db2.gz JLOPEEISTHZLTL-SFHVURJKSA-N 1 0 371.843 3.699 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000436304661 944187018 /nfs/dbraw/zinc/18/70/18/944187018.db2.gz YMLYRSLTASOZFD-KHYOSLBOSA-N 1 0 350.890 3.936 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000436307334 944190156 /nfs/dbraw/zinc/19/01/56/944190156.db2.gz RGWYUCKOODBPCX-MUKKUYKPSA-N 1 0 360.889 3.861 20 30 FHEDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H]1c1ccc(F)cc1F ZINC000425513094 944190844 /nfs/dbraw/zinc/19/08/44/944190844.db2.gz QZEAIYYROMDRNB-ZNZDAUKMSA-N 1 0 370.399 3.786 20 30 FHEDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CO)c3ccccc32)cc1OCCCC#N ZINC000364272830 944196800 /nfs/dbraw/zinc/19/68/00/944196800.db2.gz SDHSXOAAULBNES-PXNSSMCTSA-N 1 0 366.461 3.688 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000517341264 944219339 /nfs/dbraw/zinc/21/93/39/944219339.db2.gz JXWYSALUIAJNNI-PZJWPPBQSA-N 1 0 355.526 3.738 20 30 FHEDRO C=CCCCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)N(C)CCOC ZINC001280191701 944243385 /nfs/dbraw/zinc/24/33/85/944243385.db2.gz UPYFYKHUVWQOPL-PZJWPPBQSA-N 1 0 350.547 3.862 20 30 FHEDRO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000426256049 944252536 /nfs/dbraw/zinc/25/25/36/944252536.db2.gz MNVVKEVXQMUKCN-DUXKGJEZSA-N 1 0 369.509 3.723 20 30 FHEDRO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000426256052 944252769 /nfs/dbraw/zinc/25/27/69/944252769.db2.gz MNVVKEVXQMUKCN-UIFIKXQLSA-N 1 0 369.509 3.723 20 30 FHEDRO Cc1ccc(CN(C(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)C2CC2)o1 ZINC000425531433 944254870 /nfs/dbraw/zinc/25/48/70/944254870.db2.gz HKOOQXRMNFCWOP-INIZCTEOSA-N 1 0 351.450 3.644 20 30 FHEDRO CCOc1ccc([C@H](O)C2CC[NH+](Cc3csc(C#N)c3)CC2)cc1 ZINC000894567351 944267139 /nfs/dbraw/zinc/26/71/39/944267139.db2.gz WVEUETKIZAQSIC-FQEVSTJZSA-N 1 0 356.491 3.964 20 30 FHEDRO C=CCc1cc(C[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)cc(OC)c1O ZINC000436408287 944269151 /nfs/dbraw/zinc/26/91/51/944269151.db2.gz GIRUTFWVKYYIQF-KRWDZBQOSA-N 1 0 352.478 3.528 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(F)c(C#N)c3)cc2)C1 ZINC000506465765 944270954 /nfs/dbraw/zinc/27/09/54/944270954.db2.gz JVEAEYPJDVLUCY-MRXNPFEDSA-N 1 0 365.452 3.859 20 30 FHEDRO COc1cc(OC)c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000517408638 944278472 /nfs/dbraw/zinc/27/84/72/944278472.db2.gz XRCIWPVFRKBWBG-IBGZPJMESA-N 1 0 352.434 3.751 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000438025002 944292806 /nfs/dbraw/zinc/29/28/06/944292806.db2.gz UOZNSQABNUMVBO-NQIIRXRSSA-N 1 0 358.526 3.995 20 30 FHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C#N)s1 ZINC000473598800 944296025 /nfs/dbraw/zinc/29/60/25/944296025.db2.gz LABCGZBIUJIXFW-LJQANCHMSA-N 1 0 367.518 3.823 20 30 FHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000783410146 944314836 /nfs/dbraw/zinc/31/48/36/944314836.db2.gz NXQSFMOTUKMDLC-GOSISDBHSA-N 1 0 363.457 3.808 20 30 FHEDRO N#Cc1cccc(OCCC[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1 ZINC000550178886 944354687 /nfs/dbraw/zinc/35/46/87/944354687.db2.gz RQAYWNHPRBRQLA-UHFFFAOYSA-N 1 0 368.452 3.848 20 30 FHEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1ccc2c(c1)CCC2 ZINC000261970776 944370446 /nfs/dbraw/zinc/37/04/46/944370446.db2.gz DCVKYZDNHRSXLY-UHFFFAOYSA-N 1 0 362.477 3.841 20 30 FHEDRO C=CCOc1cccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000506500388 944390643 /nfs/dbraw/zinc/39/06/43/944390643.db2.gz UNWHZRYTUZNSJO-UHFFFAOYSA-N 1 0 356.510 3.866 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000506497303 944396456 /nfs/dbraw/zinc/39/64/56/944396456.db2.gz XTULTCMJKKNLMX-UHFFFAOYSA-N 1 0 351.425 3.733 20 30 FHEDRO C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1cccc(C#N)c1 ZINC000709391640 944408944 /nfs/dbraw/zinc/40/89/44/944408944.db2.gz QLIYBMHEUBYDQH-CBVHJVASSA-N 1 0 355.482 3.997 20 30 FHEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000517591513 944422802 /nfs/dbraw/zinc/42/28/02/944422802.db2.gz DYQDIRBGTBVFAY-JOCHJYFZSA-N 1 0 363.505 3.827 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000506514914 944440157 /nfs/dbraw/zinc/44/01/57/944440157.db2.gz GWKWYUMCZODGRN-INIZCTEOSA-N 1 0 365.452 3.859 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc(C#N)cs3)cc2)C1 ZINC000438270571 944453833 /nfs/dbraw/zinc/45/38/33/944453833.db2.gz MLUSKDFEJVFNBE-HNNXBMFYSA-N 1 0 353.491 3.782 20 30 FHEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000425975684 944475578 /nfs/dbraw/zinc/47/55/78/944475578.db2.gz FVESSBBYLXORNX-IBGZPJMESA-N 1 0 369.440 3.947 20 30 FHEDRO N#CCC[C@@H](C#N)CN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000112203821 944538523 /nfs/dbraw/zinc/53/85/23/944538523.db2.gz LCKRBJYMCLNDLQ-RLQPZKOJSA-N 1 0 354.542 3.654 20 30 FHEDRO CN(Cc1cscn1)Cc1cccc(NCc2nc(C#N)cs2)c1 ZINC000518622840 944553010 /nfs/dbraw/zinc/55/30/10/944553010.db2.gz KOJJMZXJWLXSDB-UHFFFAOYSA-N 1 0 355.492 3.715 20 30 FHEDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)CSc1ccc(C#N)cc1 ZINC000425619722 944572454 /nfs/dbraw/zinc/57/24/54/944572454.db2.gz HBWGFEGUWMVIKE-GOSISDBHSA-N 1 0 365.502 3.560 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000390624375 944580304 /nfs/dbraw/zinc/58/03/04/944580304.db2.gz HPCJHTPLIWRPPK-QHCPKHFHSA-N 1 0 366.505 3.632 20 30 FHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000516242588 944612134 /nfs/dbraw/zinc/61/21/34/944612134.db2.gz QUJHRAXZPPUKLN-OKZBNKHCSA-N 1 0 361.505 3.890 20 30 FHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3Cl)C2)n1 ZINC000439439346 944617237 /nfs/dbraw/zinc/61/72/37/944617237.db2.gz MOFSBHCVDPOPNR-QGZVFWFLSA-N 1 0 368.868 3.766 20 30 FHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccc(C=NOC)cc1 ZINC000759862118 944617275 /nfs/dbraw/zinc/61/72/75/944617275.db2.gz YIAUVNNLLVQHQV-UHFFFAOYSA-N 1 0 373.522 3.713 20 30 FHEDRO C=CCn1c(-c2ccccc2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000517784844 944626006 /nfs/dbraw/zinc/62/60/06/944626006.db2.gz XVJWXKJDKLLLAA-UHFFFAOYSA-N 1 0 353.514 3.750 20 30 FHEDRO CCCn1nc(C)c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1C ZINC000438462548 944641960 /nfs/dbraw/zinc/64/19/60/944641960.db2.gz QSNBOKUGIKYOLK-UHFFFAOYSA-N 1 0 367.497 3.656 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418469906 944655603 /nfs/dbraw/zinc/65/56/03/944655603.db2.gz UQCRPHNTTCCDLJ-MRXNPFEDSA-N 1 0 350.466 3.700 20 30 FHEDRO C=CC[C@H](CC)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467405932 944656367 /nfs/dbraw/zinc/65/63/67/944656367.db2.gz ODVHNCFJETYCFE-JSGCOSHPSA-N 1 0 358.301 3.612 20 30 FHEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000418469086 944657996 /nfs/dbraw/zinc/65/79/96/944657996.db2.gz BEWXKNQZDWRFCT-MRXNPFEDSA-N 1 0 360.461 3.577 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418474398 944671943 /nfs/dbraw/zinc/67/19/43/944671943.db2.gz YLEBCVPNGIWITD-KRWDZBQOSA-N 1 0 369.513 3.772 20 30 FHEDRO Cc1ccccc1OCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000053721365 944747751 /nfs/dbraw/zinc/74/77/51/944747751.db2.gz BMSIYOKBABHDMV-QGZVFWFLSA-N 1 0 351.450 3.595 20 30 FHEDRO C=CCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccccc1CC ZINC000194838007 944748861 /nfs/dbraw/zinc/74/88/61/944748861.db2.gz GLGHPIQLIOLRNU-UHFFFAOYSA-O 1 0 369.510 3.568 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnccc2Oc2ccccc2)CC1 ZINC000518797653 944791503 /nfs/dbraw/zinc/79/15/03/944791503.db2.gz FIBLZQXUKDHHNN-UHFFFAOYSA-N 1 0 351.450 3.644 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NCCC[NH+]3CCCC3)c2)cc1 ZINC000517903311 944796445 /nfs/dbraw/zinc/79/64/45/944796445.db2.gz GYVGZWDNZDUJLH-UHFFFAOYSA-N 1 0 364.449 3.958 20 30 FHEDRO Cc1nccn1CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517903506 944796596 /nfs/dbraw/zinc/79/65/96/944796596.db2.gz PPDSWXBZHWSEKS-UHFFFAOYSA-N 1 0 361.405 3.677 20 30 FHEDRO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000518815190 944809713 /nfs/dbraw/zinc/80/97/13/944809713.db2.gz AZKYJHJPDDPYRH-BETUJISGSA-N 1 0 355.404 3.877 20 30 FHEDRO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@H]1CCCC1(C)C)C1CC1 ZINC000426836069 944855261 /nfs/dbraw/zinc/85/52/61/944855261.db2.gz SXQQQFUPDOIINA-SIKLNZKXSA-N 1 0 353.510 3.876 20 30 FHEDRO Cc1csc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1C#N ZINC000517957656 944872416 /nfs/dbraw/zinc/87/24/16/944872416.db2.gz SWWHXZWJRNQXFQ-UHFFFAOYSA-N 1 0 368.506 3.757 20 30 FHEDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415004291 944913956 /nfs/dbraw/zinc/91/39/56/944913956.db2.gz HLELTDMNURSHPK-IBGZPJMESA-N 1 0 364.449 3.860 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-c3csc(C)n3)cc2)CC1 ZINC000518019526 944938257 /nfs/dbraw/zinc/93/82/57/944938257.db2.gz IQSXJGQWCUEFBX-UHFFFAOYSA-N 1 0 370.522 3.568 20 30 FHEDRO C=CCOc1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000518952663 944963041 /nfs/dbraw/zinc/96/30/41/944963041.db2.gz QWBBBZULMLVRFU-JOCHJYFZSA-N 1 0 355.453 3.818 20 30 FHEDRO C=CCc1cc(C[N@H+]2CCc3ccc(OC)cc3CC2)cc(OC)c1O ZINC000439780682 944965908 /nfs/dbraw/zinc/96/59/08/944965908.db2.gz HSQKRRCWTWPMQG-UHFFFAOYSA-N 1 0 353.462 3.739 20 30 FHEDRO COc1ccccc1C[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437095401 945013796 /nfs/dbraw/zinc/01/37/96/945013796.db2.gz KFGMCKGUKHWION-DZIBYMRMSA-N 1 0 365.477 3.873 20 30 FHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000437100006 945018952 /nfs/dbraw/zinc/01/89/52/945018952.db2.gz UBHXYYFILDPFPR-STJZUHDESA-N 1 0 366.421 3.902 20 30 FHEDRO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438783405 945027665 /nfs/dbraw/zinc/02/76/65/945027665.db2.gz PQWDGUIMFHRTKH-MRXNPFEDSA-N 1 0 371.843 3.576 20 30 FHEDRO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000330140340 945374225 /nfs/dbraw/zinc/37/42/25/945374225.db2.gz WWVZWAFCKJEIRD-KBXCAEBGSA-N 1 0 352.862 3.588 20 30 FHEDRO CC(C)(CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000330151022 945377289 /nfs/dbraw/zinc/37/72/89/945377289.db2.gz NITSRMAYTKNSJZ-RTBURBONSA-N 1 0 359.514 3.532 20 30 FHEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330215793 945406183 /nfs/dbraw/zinc/40/61/83/945406183.db2.gz HIAWLRDZWLKTLA-KVZIAJEVSA-N 1 0 353.466 3.832 20 30 FHEDRO COc1ccc(Cl)cc1NC(=O)CN1CCOC[C@H](C2CCC2)C1 ZINC000330229634 945413122 /nfs/dbraw/zinc/41/31/22/945413122.db2.gz DCXCYVWXOUKMLJ-CQSZACIVSA-N 1 0 352.862 3.685 20 30 FHEDRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCOC3(CCCC3)C2)CCCCCC1 ZINC000330236617 945417022 /nfs/dbraw/zinc/41/70/22/945417022.db2.gz ZIBSIJXTPYMSGB-QGZVFWFLSA-N 1 0 351.535 3.636 20 30 FHEDRO C=CCc1cc(C[NH+]2CCC(Oc3ccccn3)CC2)cc(OC)c1O ZINC000507668888 945421019 /nfs/dbraw/zinc/42/10/19/945421019.db2.gz LKEJLDXIDTXZPT-UHFFFAOYSA-N 1 0 354.450 3.568 20 30 FHEDRO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330263850 945432885 /nfs/dbraw/zinc/43/28/85/945432885.db2.gz XCGVTLNWIHSXLP-DOTOQJQBSA-N 1 0 353.466 3.960 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000330270579 945436614 /nfs/dbraw/zinc/43/66/14/945436614.db2.gz ULCJHFQMKFABKZ-QWFCFKBJSA-N 1 0 370.493 3.912 20 30 FHEDRO [NH2+]=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000262357161 945446875 /nfs/dbraw/zinc/44/68/75/945446875.db2.gz VCFZTUUNGVDSDS-UHFFFAOYSA-N 1 0 365.355 3.794 20 30 FHEDRO N#CCCCOc1cccc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC000507690789 945453869 /nfs/dbraw/zinc/45/38/69/945453869.db2.gz ZJBXPABQXDHPNM-OAQYLSRUSA-N 1 0 350.462 3.813 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C(C)C)c(C)c1 ZINC000330293330 945461992 /nfs/dbraw/zinc/46/19/92/945461992.db2.gz HRZOTZBLIATWIP-LZLYRXPVSA-N 1 0 361.486 3.845 20 30 FHEDRO N#Cc1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1Cl ZINC000519492370 945482484 /nfs/dbraw/zinc/48/24/84/945482484.db2.gz GLQGQFYPYBORCM-SJORKVTESA-N 1 0 352.869 3.565 20 30 FHEDRO N#Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000151389056 945494597 /nfs/dbraw/zinc/49/45/97/945494597.db2.gz MKCSJSQLWRCLDY-UHFFFAOYSA-N 1 0 353.853 3.606 20 30 FHEDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1C#N ZINC000237147654 945497004 /nfs/dbraw/zinc/49/70/04/945497004.db2.gz YZWSATKZPDMDEN-FUHWJXTLSA-N 1 0 373.497 3.740 20 30 FHEDRO N#Cc1cccc(C[NH+]2CCC(Nc3nnc(Cc4ccccc4)o3)CC2)c1 ZINC000894408036 945497986 /nfs/dbraw/zinc/49/79/86/945497986.db2.gz QGCAYFHAPDKOKN-UHFFFAOYSA-N 1 0 373.460 3.609 20 30 FHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000507727349 945516655 /nfs/dbraw/zinc/51/66/55/945516655.db2.gz SGAVVIOPTXJVPG-UHFFFAOYSA-N 1 0 356.397 3.571 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000660811294 945518448 /nfs/dbraw/zinc/51/84/48/945518448.db2.gz HJEXFPFKYIPVOG-WLRLJWMZSA-N 1 0 353.510 3.932 20 30 FHEDRO Fc1cc(F)c(CNC2CC[NH+](CCC(F)(F)F)CC2)c(F)c1F ZINC000281193401 945551203 /nfs/dbraw/zinc/55/12/03/945551203.db2.gz SHVLYBPNMWGMPP-UHFFFAOYSA-N 1 0 358.301 3.749 20 30 FHEDRO CCc1nc(C)c(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000330336745 945606877 /nfs/dbraw/zinc/60/68/77/945606877.db2.gz SSBKBCNAKIBASE-UHFFFAOYSA-N 1 0 350.532 3.994 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000281360463 945613135 /nfs/dbraw/zinc/61/31/35/945613135.db2.gz SGGSZSONDCJTOP-GHTZIAJQSA-N 1 0 363.461 3.586 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000281371808 945617541 /nfs/dbraw/zinc/61/75/41/945617541.db2.gz TXUUXKUABVTMLB-JIPZTSHUSA-N 1 0 365.477 3.688 20 30 FHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000125116218 945641271 /nfs/dbraw/zinc/64/12/71/945641271.db2.gz IHNWBQUQCNMBQH-MRXNPFEDSA-N 1 0 368.481 3.635 20 30 FHEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509837 945659080 /nfs/dbraw/zinc/65/90/80/945659080.db2.gz YRWIWXQOOXLRAU-CTNGQTDRSA-N 1 0 355.526 3.587 20 30 FHEDRO COc1cc(C[NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)ccc1C#N ZINC000519724771 945678467 /nfs/dbraw/zinc/67/84/67/945678467.db2.gz KOJZDEPOQXJYBB-NRFANRHFSA-N 1 0 367.493 3.747 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC000661036076 945679978 /nfs/dbraw/zinc/67/99/78/945679978.db2.gz DCZFHVFFVCFHLH-WMLDXEAASA-N 1 0 351.441 3.754 20 30 FHEDRO Cc1cc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)ccc1C#N ZINC000444002412 945707208 /nfs/dbraw/zinc/70/72/08/945707208.db2.gz NXXJYZFCMMKNDJ-KRWDZBQOSA-N 1 0 373.378 3.781 20 30 FHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000519744617 945708458 /nfs/dbraw/zinc/70/84/58/945708458.db2.gz SPFUPTCAWZDJEJ-QGZVFWFLSA-N 1 0 367.415 3.570 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1cccc(C)c1 ZINC000027321927 945708904 /nfs/dbraw/zinc/70/89/04/945708904.db2.gz QNDNIZFZIOYDOT-UHFFFAOYSA-O 1 0 369.510 3.546 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccccc1 ZINC000027324701 945709211 /nfs/dbraw/zinc/70/92/11/945709211.db2.gz ZFNZGVZBHQENEZ-UHFFFAOYSA-O 1 0 353.511 3.791 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(C)cc1 ZINC000027326218 945710116 /nfs/dbraw/zinc/71/01/16/945710116.db2.gz DHYDCIPPKSXHQC-UHFFFAOYSA-O 1 0 357.499 3.620 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1cccc(C)c1 ZINC000027326141 945710474 /nfs/dbraw/zinc/71/04/74/945710474.db2.gz UMNPNWQVMALCBN-UHFFFAOYSA-O 1 0 357.499 3.620 20 30 FHEDRO Cc1cc(Br)cn2cc(CNCc3ccc(C#N)c(C)c3)nc12 ZINC000444005702 945715926 /nfs/dbraw/zinc/71/59/26/945715926.db2.gz XUTRAVAHPOPMHQ-UHFFFAOYSA-N 1 0 369.266 3.875 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@]12CCc1ccccc12)C(C)C ZINC000440636331 945732187 /nfs/dbraw/zinc/73/21/87/945732187.db2.gz FLGKSEYTUBSHFQ-XPNTWCBSSA-N 1 0 352.522 3.705 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000661116963 945747914 /nfs/dbraw/zinc/74/79/14/945747914.db2.gz AJCIYAROYJCRBD-FXAWDEMLSA-N 1 0 371.525 3.832 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000661117387 945749794 /nfs/dbraw/zinc/74/97/94/945749794.db2.gz QMRNTRKALYDOLJ-CVEARBPZSA-N 1 0 357.523 3.680 20 30 FHEDRO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000519907688 945872498 /nfs/dbraw/zinc/87/24/98/945872498.db2.gz VQOUFLVQKDQFAV-GOSISDBHSA-N 1 0 369.431 3.970 20 30 FHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000579098113 945945855 /nfs/dbraw/zinc/94/58/55/945945855.db2.gz CDBLQCXHCGKORP-OALUTQOASA-N 1 0 354.498 3.519 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3cc(Cl)ccc3OC)C2)ccc1C#N ZINC000440836543 945950043 /nfs/dbraw/zinc/95/00/43/945950043.db2.gz ZWMVTCOCJRNNSN-QGZVFWFLSA-N 1 0 371.868 3.597 20 30 FHEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)CCc1cccc(F)c1 ZINC000444135152 945960885 /nfs/dbraw/zinc/96/08/85/945960885.db2.gz XCYXNDWBJYIPNB-UHFFFAOYSA-N 1 0 353.441 3.981 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CCC[NH2+]1 ZINC000662797453 946010432 /nfs/dbraw/zinc/01/04/32/946010432.db2.gz JRMYIZPMQHIWQT-KRWDZBQOSA-N 1 0 364.371 3.528 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000236721842 946015021 /nfs/dbraw/zinc/01/50/21/946015021.db2.gz LFBXQLMGEBJIQW-GOSISDBHSA-N 1 0 358.482 3.578 20 30 FHEDRO C=CCn1c(CC2CC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508466550 946043301 /nfs/dbraw/zinc/04/33/01/946043301.db2.gz VBPLZHSALBJURV-LJQANCHMSA-N 1 0 357.546 3.509 20 30 FHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000163231641 946063866 /nfs/dbraw/zinc/06/38/66/946063866.db2.gz BSTKIVBOLADEKO-IEBWSBKVSA-N 1 0 374.529 3.510 20 30 FHEDRO CC1CCC([N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]2CCCO2)CC1 ZINC000444206200 946074832 /nfs/dbraw/zinc/07/48/32/946074832.db2.gz PITLCLBKHUZCHQ-JITJBCMDSA-N 1 0 369.509 3.947 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000661415695 946082860 /nfs/dbraw/zinc/08/28/60/946082860.db2.gz TXEYCUJYLIUZGM-UYAOXDASSA-N 1 0 356.514 3.732 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCC2CCC(C#N)CC2)c1 ZINC000441006647 946108351 /nfs/dbraw/zinc/10/83/51/946108351.db2.gz VKFFNZXDLDPINE-UHFFFAOYSA-N 1 0 356.514 3.658 20 30 FHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508481292 946137786 /nfs/dbraw/zinc/13/77/86/946137786.db2.gz PBVGOHKWFCXPCY-GOSISDBHSA-N 1 0 351.498 3.504 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](C(C)C)C2)c1C#N ZINC000438492792 946262675 /nfs/dbraw/zinc/26/26/75/946262675.db2.gz PRMCXDMHQFGJEJ-QGZVFWFLSA-N 1 0 368.481 3.534 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000045987029 946279908 /nfs/dbraw/zinc/27/99/08/946279908.db2.gz VEOATRWFOHOCFZ-UHFFFAOYSA-N 1 0 364.493 3.742 20 30 FHEDRO C=CC[C@]1(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CCC[NH2+]1 ZINC000662889824 946286249 /nfs/dbraw/zinc/28/62/49/946286249.db2.gz NTLWZIFSRTYRNR-CYBMUJFWSA-N 1 0 360.342 3.855 20 30 FHEDRO CCCOc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc1F ZINC001211670364 946355438 /nfs/dbraw/zinc/35/54/38/946355438.db2.gz LVPOMOZZWVLRMS-UHFFFAOYSA-N 1 0 368.456 3.982 20 30 FHEDRO O=C(Nc1ccc(O)cc1)C1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000441269185 946363821 /nfs/dbraw/zinc/36/38/21/946363821.db2.gz ZOPJIKTZKUJLGH-UHFFFAOYSA-N 1 0 368.864 3.748 20 30 FHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000520339337 946435833 /nfs/dbraw/zinc/43/58/33/946435833.db2.gz PTGBTKPBIFMGRH-GOSISDBHSA-N 1 0 371.525 3.734 20 30 FHEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000441337992 946445808 /nfs/dbraw/zinc/44/58/08/946445808.db2.gz KMZAEEWUMBNIES-QFIXIFRTSA-N 1 0 354.425 3.520 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)NCC1CCC(C#N)CC1 ZINC000441325432 946453070 /nfs/dbraw/zinc/45/30/70/946453070.db2.gz PORLQTQUTJPLSV-UHFFFAOYSA-N 1 0 372.513 3.859 20 30 FHEDRO COc1cc(C[NH2+][C@H](CCO)C(C)C)ccc1OCc1cccc(C#N)c1 ZINC000475137259 946456555 /nfs/dbraw/zinc/45/65/55/946456555.db2.gz JTYLHVGGIJPXFT-HXUWFJFHSA-N 1 0 368.477 3.642 20 30 FHEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000441332194 946463619 /nfs/dbraw/zinc/46/36/19/946463619.db2.gz QLKFLQAJHGNLSG-VXKWHMMOSA-N 1 0 361.489 3.751 20 30 FHEDRO C=CCn1c([C@H](C)CC)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508488245 946474493 /nfs/dbraw/zinc/47/44/93/946474493.db2.gz JAWVJWQWJQDPES-QUCCMNQESA-N 1 0 367.541 3.936 20 30 FHEDRO C=CCn1c([C@H](C)CC)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508488246 946474634 /nfs/dbraw/zinc/47/46/34/946474634.db2.gz JAWVJWQWJQDPES-UYAOXDASSA-N 1 0 367.541 3.936 20 30 FHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCC(F)(F)F)sc2C1 ZINC000104677969 946507600 /nfs/dbraw/zinc/50/76/00/946507600.db2.gz AXXJNGYONKQECI-LLVKDONJSA-N 1 0 373.444 3.957 20 30 FHEDRO N#CCCCOc1cccc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c1 ZINC000897037419 946511834 /nfs/dbraw/zinc/51/18/34/946511834.db2.gz MJQWZSNMRLOVTK-UHFFFAOYSA-N 1 0 356.388 3.506 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000320894154 946536369 /nfs/dbraw/zinc/53/63/69/946536369.db2.gz TULPJCFJPGQWKP-UHFFFAOYSA-N 1 0 372.266 3.781 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000520413068 946558242 /nfs/dbraw/zinc/55/82/42/946558242.db2.gz LVJVEXDGSIXYJP-PKOBYXMFSA-N 1 0 373.359 3.834 20 30 FHEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000186253601 946658096 /nfs/dbraw/zinc/65/80/96/946658096.db2.gz IOYCVZDCWXSPJT-UHFFFAOYSA-N 1 0 361.489 3.534 20 30 FHEDRO C=CCCCCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000473919313 946695932 /nfs/dbraw/zinc/69/59/32/946695932.db2.gz LGAYIJNZYGBYIH-SFHVURJKSA-N 1 0 359.514 3.542 20 30 FHEDRO C[C@](C#N)(NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000550352250 946716968 /nfs/dbraw/zinc/71/69/68/946716968.db2.gz ZVXDWGYELZGECL-SIKLNZKXSA-N 1 0 353.510 3.877 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(OC)c(F)c2)c1 ZINC000303869520 946719646 /nfs/dbraw/zinc/71/96/46/946719646.db2.gz AZKAQAZWTPLDQA-UHFFFAOYSA-N 1 0 361.417 3.559 20 30 FHEDRO C[C@H]1C[NH+](Cc2cccc(Nc3ccc(C#N)cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000609964562 946739439 /nfs/dbraw/zinc/73/94/39/946739439.db2.gz VVIXIUGEJHXZFE-GJZGRUSLSA-N 1 0 366.421 3.819 20 30 FHEDRO COc1cccc(N2CC[C@@H](CNC(=[NH2+])Nc3ccc(C)c(C)c3)C2)c1 ZINC000303987954 946753285 /nfs/dbraw/zinc/75/32/85/946753285.db2.gz VZVRFQMPXOFPLG-KRWDZBQOSA-N 1 0 352.482 3.565 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)CCCC1 ZINC000661850074 946757222 /nfs/dbraw/zinc/75/72/22/946757222.db2.gz JPAHIWBEVWJTMF-LJQANCHMSA-N 1 0 372.509 3.846 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)CCCC1 ZINC000661865454 946791439 /nfs/dbraw/zinc/79/14/39/946791439.db2.gz PKQLRWPFFGJUPT-IBGZPJMESA-N 1 0 372.509 3.846 20 30 FHEDRO COc1cccc(Oc2ccc(CNC(=[NH2+])N3CCCCCC3)cn2)c1 ZINC000305037951 946806466 /nfs/dbraw/zinc/80/64/66/946806466.db2.gz BVWHXXVPESQANJ-UHFFFAOYSA-N 1 0 354.454 3.573 20 30 FHEDRO CC(C)(C)OC(=O)Nc1ccc(CCNC(=[NH2+])N2CCCCCC2)cc1 ZINC000305050296 946807174 /nfs/dbraw/zinc/80/71/74/946807174.db2.gz GXXFLWNCHNKREC-UHFFFAOYSA-N 1 0 360.502 3.767 20 30 FHEDRO COCCC1(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000305046122 946807690 /nfs/dbraw/zinc/80/76/90/946807690.db2.gz AYQKYDBUFKRZCA-UHFFFAOYSA-N 1 0 373.419 3.586 20 30 FHEDRO [NH2+]=C(NCCOc1cccc(F)c1)Nc1ccccc1OC(F)(F)F ZINC000305265915 946838841 /nfs/dbraw/zinc/83/88/41/946838841.db2.gz YVUIKJCVINSIBO-UHFFFAOYSA-N 1 0 357.307 3.530 20 30 FHEDRO CC(C)(C)c1csc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)n1 ZINC000262540995 946848438 /nfs/dbraw/zinc/84/84/38/946848438.db2.gz RVPNMYPXNXSOGO-UHFFFAOYSA-N 1 0 360.483 3.529 20 30 FHEDRO C[NH+]=C(NCc1scnc1C)N1CC[C@H](CSc2ccccc2)C1 ZINC000262469318 946851926 /nfs/dbraw/zinc/85/19/26/946851926.db2.gz OMLKLBNNHUBCQH-HNNXBMFYSA-N 1 0 360.552 3.641 20 30 FHEDRO [NH2+]=C(NCC1(c2ccc(F)cc2Cl)CC1)N[C@H]1CCOc2ccccc21 ZINC000305690505 946859228 /nfs/dbraw/zinc/85/92/28/946859228.db2.gz BOYHPQIEVVPTFZ-KRWDZBQOSA-N 1 0 373.859 3.939 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475315055 946877043 /nfs/dbraw/zinc/87/70/43/946877043.db2.gz SJYLXEYIRYEXCA-HXUWFJFHSA-N 1 0 367.468 3.803 20 30 FHEDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000102060006 946880280 /nfs/dbraw/zinc/88/02/80/946880280.db2.gz PNTOTJXDLBJLBI-UHFFFAOYSA-N 1 0 352.438 3.812 20 30 FHEDRO C[NH+](C)CC1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000523139137 946891992 /nfs/dbraw/zinc/89/19/92/946891992.db2.gz CLXKNQBWPIWGJR-UHFFFAOYSA-N 1 0 362.477 3.716 20 30 FHEDRO C[NH+]=C(NCc1scnc1C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262469939 946894237 /nfs/dbraw/zinc/89/42/37/946894237.db2.gz OMLKLBNNHUBCQH-OAHLLOKOSA-N 1 0 360.552 3.641 20 30 FHEDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)c2ccc(F)cc2C1 ZINC000184513477 946925276 /nfs/dbraw/zinc/92/52/76/946925276.db2.gz PUJQNUJIBPXVPA-LHSJRXKWSA-N 1 0 351.425 3.841 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000186707943 946945413 /nfs/dbraw/zinc/94/54/13/946945413.db2.gz GRXKTIIFFWNUPQ-UHFFFAOYSA-N 1 0 363.461 3.825 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000328654512 946966502 /nfs/dbraw/zinc/96/65/02/946966502.db2.gz LUXDCDIIMAPLCP-QGZVFWFLSA-N 1 0 372.513 3.775 20 30 FHEDRO C[C@H](C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000328666805 946971771 /nfs/dbraw/zinc/97/17/71/946971771.db2.gz CTWLMORXPXDGBC-QLFBSQMISA-N 1 0 361.490 3.632 20 30 FHEDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCCOc2ccccc21 ZINC000328667459 946973628 /nfs/dbraw/zinc/97/36/28/946973628.db2.gz DNLDKECZMXLOSR-UYAOXDASSA-N 1 0 365.477 3.678 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328685807 946986879 /nfs/dbraw/zinc/98/68/79/946986879.db2.gz FUTVABFCTNXXNU-OYDALLEOSA-N 1 0 359.514 3.931 20 30 FHEDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1coc(C2CCOCC2)n1 ZINC000328698803 946995117 /nfs/dbraw/zinc/99/51/17/946995117.db2.gz VGLVPXBNGPTVPL-SFHVURJKSA-N 1 0 369.465 3.538 20 30 FHEDRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1 ZINC000328747746 947008129 /nfs/dbraw/zinc/00/81/29/947008129.db2.gz BBHWJLZDCZIHBC-OXJNMPFZSA-N 1 0 369.509 3.879 20 30 FHEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CC[C@H](c2nccn2C)C1 ZINC000328776881 947023477 /nfs/dbraw/zinc/02/34/77/947023477.db2.gz CTWKVQSLWQLKAU-QWQRMKEZSA-N 1 0 356.445 3.586 20 30 FHEDRO CC(C)(C#N)CCCC[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000444597852 947045700 /nfs/dbraw/zinc/04/57/00/947045700.db2.gz QLBYUVGAKNHESH-UHFFFAOYSA-N 1 0 373.526 3.636 20 30 FHEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328789938 947048516 /nfs/dbraw/zinc/04/85/16/947048516.db2.gz QBSSHZYASDIJFW-WBVHZDCISA-N 1 0 374.481 3.573 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc([C@H]3CCCOC3)nc2C)CC1 ZINC000328798404 947050299 /nfs/dbraw/zinc/05/02/99/947050299.db2.gz GBFXGPGYMPGPRB-HNNXBMFYSA-N 1 0 363.527 3.691 20 30 FHEDRO O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc2c[nH+]cn2c1 ZINC000328797061 947050724 /nfs/dbraw/zinc/05/07/24/947050724.db2.gz DSOULPHYVMDUAC-UHFFFAOYSA-N 1 0 363.417 3.880 20 30 FHEDRO Cc1ccc(C(=O)N2CCC(NC(=O)CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000328799414 947051743 /nfs/dbraw/zinc/05/17/43/947051743.db2.gz XOGFZBDPHIDTIY-GOSISDBHSA-N 1 0 371.525 3.821 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000328829323 947053993 /nfs/dbraw/zinc/05/39/93/947053993.db2.gz UCXZFLSMEZEUOJ-CABCVRRESA-N 1 0 363.527 3.667 20 30 FHEDRO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000328863131 947071523 /nfs/dbraw/zinc/07/15/23/947071523.db2.gz FWAPHZCGXXHAOG-GBESFXJTSA-N 1 0 368.481 3.671 20 30 FHEDRO C[C@H]1CN(c2ccccc2NC(=O)c2ccc3c[nH+]cn3c2)C[C@H](C)O1 ZINC000328880840 947080223 /nfs/dbraw/zinc/08/02/23/947080223.db2.gz WFKFJGYFFCKZSF-GJZGRUSLSA-N 1 0 350.422 3.584 20 30 FHEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C1CC1 ZINC000328939859 947094779 /nfs/dbraw/zinc/09/47/79/947094779.db2.gz SCBZWDGQMJVZHG-QILLFSRXSA-N 1 0 359.518 3.693 20 30 FHEDRO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000328940993 947094803 /nfs/dbraw/zinc/09/48/03/947094803.db2.gz KXKRDDJDCSGRIZ-ZHALLVOQSA-N 1 0 362.518 3.763 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cc(F)cc(F)c1 ZINC000444690095 947114716 /nfs/dbraw/zinc/11/47/16/947114716.db2.gz ISDSJTSGZVGRSU-UHFFFAOYSA-N 1 0 363.795 3.950 20 30 FHEDRO [NH2+]=C(NCCc1ccccc1C(F)(F)F)N[C@H]1CCOc2ccccc21 ZINC000262498284 947121659 /nfs/dbraw/zinc/12/16/59/947121659.db2.gz KIMUHVULGZPYLQ-INIZCTEOSA-N 1 0 363.383 3.676 20 30 FHEDRO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000328962662 947124924 /nfs/dbraw/zinc/12/49/24/947124924.db2.gz QZXUPOUFEDSIFN-ZHALLVOQSA-N 1 0 362.518 3.620 20 30 FHEDRO Cc1nc([C@H]2CCCOC2)sc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000328962309 947124937 /nfs/dbraw/zinc/12/49/37/947124937.db2.gz QOAGJYUUTRJQTP-JKSUJKDBSA-N 1 0 365.543 3.771 20 30 FHEDRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000328969754 947128174 /nfs/dbraw/zinc/12/81/74/947128174.db2.gz UNCBVWWMNALNDM-MJXNMMHHSA-N 1 0 366.452 3.793 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000432292254 947136017 /nfs/dbraw/zinc/13/60/17/947136017.db2.gz SJTXCUWCRMBLCW-OXJNMPFZSA-N 1 0 362.477 3.899 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000432292253 947138498 /nfs/dbraw/zinc/13/84/98/947138498.db2.gz SJTXCUWCRMBLCW-JXFKEZNVSA-N 1 0 362.477 3.899 20 30 FHEDRO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(OCc2ccccc2)c1 ZINC000444725503 947169510 /nfs/dbraw/zinc/16/95/10/947169510.db2.gz NIJMRJCNPHGKMI-GOSISDBHSA-N 1 0 365.477 3.678 20 30 FHEDRO C=CC[C@@H]1[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCCC1(C)C ZINC000444782446 947196384 /nfs/dbraw/zinc/19/63/84/947196384.db2.gz CGPFOTNBMMNTEI-SFHVURJKSA-N 1 0 373.453 3.960 20 30 FHEDRO CCc1cc(C#N)c(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)s1 ZINC000523382732 947204722 /nfs/dbraw/zinc/20/47/22/947204722.db2.gz HHWMEAIHPFIWAX-UHFFFAOYSA-N 1 0 371.531 3.983 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 ZINC000330640257 947224370 /nfs/dbraw/zinc/22/43/70/947224370.db2.gz CJINBPFZIQXMBW-UHFFFAOYSA-N 1 0 358.408 3.612 20 30 FHEDRO C=CC[C@@H]1[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000444784394 947226558 /nfs/dbraw/zinc/22/65/58/947226558.db2.gz NQTZODRSXLZDRN-IBGZPJMESA-N 1 0 365.539 3.926 20 30 FHEDRO CCCc1nc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000428380573 947264247 /nfs/dbraw/zinc/26/42/47/947264247.db2.gz MGPMXWFQTNNOCW-UHFFFAOYSA-N 1 0 366.465 3.658 20 30 FHEDRO C[NH+]1CCC(C)(CNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC1 ZINC000330785082 947284995 /nfs/dbraw/zinc/28/49/95/947284995.db2.gz SWDBVWSHCICHIF-UHFFFAOYSA-N 1 0 363.477 3.847 20 30 FHEDRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000330876632 947289765 /nfs/dbraw/zinc/28/97/65/947289765.db2.gz FYHMZFNARVUXIR-STQMWFEESA-N 1 0 366.893 3.649 20 30 FHEDRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000330876630 947290632 /nfs/dbraw/zinc/29/06/32/947290632.db2.gz FYHMZFNARVUXIR-OLZOCXBDSA-N 1 0 366.893 3.649 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC[NH+]1CCCCC1 ZINC000330955987 947316284 /nfs/dbraw/zinc/31/62/84/947316284.db2.gz BVZYYVAQMHZDFJ-UHFFFAOYSA-N 1 0 350.532 3.595 20 30 FHEDRO COc1cc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC000331013566 947333035 /nfs/dbraw/zinc/33/30/35/947333035.db2.gz WOYLWNBJUFBMGM-HNNXBMFYSA-N 1 0 363.502 3.690 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)c(Cl)cc2OC)C[C@H]1C ZINC000331145695 947357307 /nfs/dbraw/zinc/35/73/07/947357307.db2.gz SFHDPCOIJQKHAS-OLZOCXBDSA-N 1 0 369.893 3.707 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2sc(C)c(C)c2C(=O)OC)C[C@H]1C ZINC000331277775 947376615 /nfs/dbraw/zinc/37/66/15/947376615.db2.gz JOZMVDASXVFACJ-RISCZKNCSA-N 1 0 367.515 3.502 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(NC(C)=O)ccc2Cl)C[C@H]1C ZINC000331311248 947383820 /nfs/dbraw/zinc/38/38/20/947383820.db2.gz ZJQPPIGIHWXNSL-IUODEOHRSA-N 1 0 366.893 3.649 20 30 FHEDRO COc1cc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)ccc1C#N ZINC000440621746 947388554 /nfs/dbraw/zinc/38/85/54/947388554.db2.gz RMSYLGCVYDHZTJ-YADHBBJMSA-N 1 0 368.452 3.569 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000126780742 947400985 /nfs/dbraw/zinc/40/09/85/947400985.db2.gz MROPUVVDTXNABA-RHSMWYFYSA-N 1 0 365.880 3.675 20 30 FHEDRO N#Cc1cccc(OCC[N@@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000523606639 947412445 /nfs/dbraw/zinc/41/24/45/947412445.db2.gz KORFXTGOSFYBJH-UHFFFAOYSA-N 1 0 350.462 3.866 20 30 FHEDRO N#CC1(NC(=O)C[N@H+](CCc2ccccc2)C2CCCC2)CCCCC1 ZINC000523606673 947412680 /nfs/dbraw/zinc/41/26/80/947412680.db2.gz MSAVBHBEKVUTEO-UHFFFAOYSA-N 1 0 353.510 3.816 20 30 FHEDRO COC(=O)C1C[C@@H](C)[NH+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000599688870 947413811 /nfs/dbraw/zinc/41/38/11/947413811.db2.gz MLXDOCCOXUCSRB-ZIAGYGMSSA-N 1 0 353.384 3.719 20 30 FHEDRO COc1cc(CNc2ccc(CC[NH+]3CCSCC3)cc2)ccc1C#N ZINC000440640048 947467776 /nfs/dbraw/zinc/46/77/76/947467776.db2.gz UVUSKKHOHBQKRS-UHFFFAOYSA-N 1 0 367.518 3.770 20 30 FHEDRO C=CCn1c(SCCC[NH+]2CCCC2)nnc1-c1ccc(OC)cc1 ZINC000188249224 947481348 /nfs/dbraw/zinc/48/13/48/947481348.db2.gz YITITDWTPOGQJL-UHFFFAOYSA-N 1 0 358.511 3.718 20 30 FHEDRO N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)c1 ZINC000120339839 947543777 /nfs/dbraw/zinc/54/37/77/947543777.db2.gz SOKXCHRWJKKIDQ-RHSMWYFYSA-N 1 0 360.299 3.774 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000459014906 947814087 /nfs/dbraw/zinc/81/40/87/947814087.db2.gz PTKGFBPMCXULKG-IHPCNDPISA-N 1 0 360.546 3.755 20 30 FHEDRO C=CC[C@]1(C(=O)NCc2ccc(COCc3ccccc3)cc2)CCC[NH2+]1 ZINC000662481107 947849690 /nfs/dbraw/zinc/84/96/90/947849690.db2.gz VNYLJYOBKPUJMS-HSZRJFAPSA-N 1 0 364.489 3.718 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc3nc(NC(=O)CCC)sc3c2)CCC[NH2+]1 ZINC000662488787 947862623 /nfs/dbraw/zinc/86/26/23/947862623.db2.gz WVGURQKHRDMQRU-LJQANCHMSA-N 1 0 372.494 3.672 20 30 FHEDRO CCC[NH2+]CCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662549184 947905445 /nfs/dbraw/zinc/90/54/45/947905445.db2.gz MIFZDNHAQWXPHP-UHFFFAOYSA-N 1 0 374.300 3.705 20 30 FHEDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662600727 947925564 /nfs/dbraw/zinc/92/55/64/947925564.db2.gz CJPXDNHBSFHXFM-UHFFFAOYSA-N 1 0 374.300 3.785 20 30 FHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1(O)CCCCCC1 ZINC000190141073 947934830 /nfs/dbraw/zinc/93/48/30/947934830.db2.gz YTEWVZZHDYDHGI-UHFFFAOYSA-N 1 0 366.509 3.981 20 30 FHEDRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000190451115 947980972 /nfs/dbraw/zinc/98/09/72/947980972.db2.gz AYKIDRCIDUYXRN-INIZCTEOSA-N 1 0 352.482 3.721 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000663444396 948024200 /nfs/dbraw/zinc/02/42/00/948024200.db2.gz JMZLCRSUKIIKPQ-NSHGMRRFSA-N 1 0 369.509 3.725 20 30 FHEDRO N#Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000054001741 948129852 /nfs/dbraw/zinc/12/98/52/948129852.db2.gz LNIUGSXCAQETMK-UHFFFAOYSA-N 1 0 368.868 3.998 20 30 FHEDRO CC(C)CNC(=O)C1([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC001167829995 948187621 /nfs/dbraw/zinc/18/76/21/948187621.db2.gz XFDUENRCTWJXBF-UHFFFAOYSA-N 1 0 366.427 3.732 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000585718623 948234390 /nfs/dbraw/zinc/23/43/90/948234390.db2.gz PANUJBLBDWWELZ-HSZRJFAPSA-N 1 0 364.489 3.641 20 30 FHEDRO COCC[N@H+](C)CCCC1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000585719432 948234824 /nfs/dbraw/zinc/23/48/24/948234824.db2.gz TZSAGDCTEKYXSK-FQEVSTJZSA-N 1 0 363.933 3.975 20 30 FHEDRO CC[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000106732246 948237634 /nfs/dbraw/zinc/23/76/34/948237634.db2.gz IXBHHNWBJJQVHX-UHFFFAOYSA-N 1 0 367.424 3.704 20 30 FHEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H](C)COC ZINC000663583854 948254410 /nfs/dbraw/zinc/25/44/10/948254410.db2.gz WXDLYRXHFKWXBH-RBUKOAKNSA-N 1 0 373.541 3.794 20 30 FHEDRO Cc1ccccc1C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000585794479 948297908 /nfs/dbraw/zinc/29/79/08/948297908.db2.gz ZPGCNVYPSGABTO-QFIPXVFZSA-N 1 0 360.505 3.841 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cscc1C#N ZINC000432396830 948326653 /nfs/dbraw/zinc/32/66/53/948326653.db2.gz FMINRIUOZGEGFT-OAHLLOKOSA-N 1 0 353.491 3.924 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000760041763 948340045 /nfs/dbraw/zinc/34/00/45/948340045.db2.gz QJCGZMKZKULEJG-KNXBSLHKSA-N 1 0 353.437 3.655 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000760041769 948349574 /nfs/dbraw/zinc/34/95/74/948349574.db2.gz QJCGZMKZKULEJG-USCONSEESA-N 1 0 353.437 3.655 20 30 FHEDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000178975655 948355821 /nfs/dbraw/zinc/35/58/21/948355821.db2.gz RJDQFCOSJIAXLN-MRXNPFEDSA-N 1 0 360.473 3.802 20 30 FHEDRO CC[N@H+](CCc1cccs1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278990315 948376823 /nfs/dbraw/zinc/37/68/23/948376823.db2.gz BELVTAIABGJVBD-UHFFFAOYSA-N 1 0 365.506 3.985 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1COc2ccccc21 ZINC000182073086 948493767 /nfs/dbraw/zinc/49/37/67/948493767.db2.gz ZKKDVNNKHFFLKP-VGSWGCGISA-N 1 0 361.489 3.677 20 30 FHEDRO N#Cc1cc(Cl)c(-c2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1Cl ZINC001211701122 948564982 /nfs/dbraw/zinc/56/49/82/948564982.db2.gz KHGZYQLNTCJCQO-CLYYMRHHSA-N 1 0 363.248 3.988 20 30 FHEDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1OC ZINC000237222872 948579752 /nfs/dbraw/zinc/57/97/52/948579752.db2.gz JMRYTADUMXPZHT-QGZVFWFLSA-N 1 0 367.493 3.774 20 30 FHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CSC[C@H]2C)c1C#N ZINC000512164631 948595571 /nfs/dbraw/zinc/59/55/71/948595571.db2.gz OMCCBTXKIJRNBW-FZKQIMNGSA-N 1 0 374.554 3.761 20 30 FHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000512166093 948605160 /nfs/dbraw/zinc/60/51/60/948605160.db2.gz MFFYADNKFRTZFA-IBGZPJMESA-N 1 0 373.493 3.515 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459134873 948665082 /nfs/dbraw/zinc/66/50/82/948665082.db2.gz ATJCGTRSSUQPSQ-UHFFFAOYSA-N 1 0 355.935 3.974 20 30 FHEDRO CC(C)[NH+](CCNC(=O)c1occc1COc1cccc(C#N)c1)C(C)C ZINC000523953386 948731115 /nfs/dbraw/zinc/73/11/15/948731115.db2.gz DIGIKJLIAHYMDL-UHFFFAOYSA-N 1 0 369.465 3.579 20 30 FHEDRO Cc1ccc2[nH]c(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2c1C ZINC000523978813 948736826 /nfs/dbraw/zinc/73/68/26/948736826.db2.gz SQZSUSWFSQCIOG-UHFFFAOYSA-N 1 0 374.488 3.860 20 30 FHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C#N)cc1 ZINC000010653110 204399401 /nfs/dbraw/zinc/39/94/01/204399401.db2.gz YKTUIGBAMZHCKD-UHFFFAOYSA-N 1 0 361.449 3.502 20 30 FHEDRO O=C(NCc1csc(=O)[nH]1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000328602978 527585599 /nfs/dbraw/zinc/58/55/99/527585599.db2.gz DNYKVQVRURLJLS-DNVCBOLYSA-N 1 0 357.479 3.608 20 30 FHEDRO CCCn1c(C)cc(-c2csc(NC(=O)[C@H]([NH3+])CCCCC#N)n2)c1C ZINC000601856931 567852748 /nfs/dbraw/zinc/85/27/48/567852748.db2.gz RBSUWFQHLADSSR-MRXNPFEDSA-N 1 0 373.526 3.988 20 30 FHEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000481388637 567876291 /nfs/dbraw/zinc/87/62/91/567876291.db2.gz FUYWHNRHJUTSBX-BDJLRTHQSA-N 1 0 363.870 3.577 20 30 FHEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000481387140 567882495 /nfs/dbraw/zinc/88/24/95/567882495.db2.gz BCVZVMJELKKDFK-VBKZILBWSA-N 1 0 371.868 3.906 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967529 567889495 /nfs/dbraw/zinc/88/94/95/567889495.db2.gz GXMQPBNYIRNYPQ-NXEZZACHSA-N 1 0 353.253 3.575 20 30 FHEDRO N#Cc1ccsc1NC(=O)CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024663462 567890649 /nfs/dbraw/zinc/89/06/49/567890649.db2.gz NMLTXKBUWCWENI-AWEZNQCLSA-N 1 0 366.446 3.579 20 30 FHEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCCC(C)(C)C#N ZINC000186276878 567896916 /nfs/dbraw/zinc/89/69/16/567896916.db2.gz QDRKQNBDACPREY-MRXNPFEDSA-N 1 0 363.527 3.549 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]CC(C)(C)OCC)cc1OC ZINC000186540059 567943941 /nfs/dbraw/zinc/94/39/41/567943941.db2.gz PCUDLVMKQUJRMP-UHFFFAOYSA-N 1 0 372.303 3.927 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000602515721 567986571 /nfs/dbraw/zinc/98/65/71/567986571.db2.gz CNPBGDRCEAPRIW-GOSISDBHSA-N 1 0 356.514 3.651 20 30 FHEDRO CCC[C@@H]([NH2+]C[C@@H](C)CCC#N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000602526263 567987788 /nfs/dbraw/zinc/98/77/88/567987788.db2.gz GQZJTQLTJMSRBK-FXAWDEMLSA-N 1 0 356.514 3.923 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000602526270 567987805 /nfs/dbraw/zinc/98/78/05/567987805.db2.gz GTXYCYHNMBXACL-CRAIPNDOSA-N 1 0 369.431 3.608 20 30 FHEDRO CC[C@@H](C(=O)N1CCC([NH2+]C2CCC(C#N)CC2)CC1)c1ccccc1 ZINC000602529668 567988143 /nfs/dbraw/zinc/98/81/43/567988143.db2.gz QQGBOLKHBDKDDU-CNBHCMJISA-N 1 0 353.510 3.843 20 30 FHEDRO N#CC1CCC([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000602508407 567988882 /nfs/dbraw/zinc/98/88/82/567988882.db2.gz BTKWEISDBYCTSR-UHFFFAOYSA-N 1 0 357.767 3.573 20 30 FHEDRO COc1ccc([C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N2CCCC2)cc1 ZINC000602507459 567988892 /nfs/dbraw/zinc/98/88/92/567988892.db2.gz JMGMOVXZEMSHKR-RXVVDRJESA-N 1 0 371.525 3.521 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000602513604 567989486 /nfs/dbraw/zinc/98/94/86/567989486.db2.gz PSGUYCLSCLMPNM-GOSISDBHSA-N 1 0 369.509 3.501 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000602543055 567989881 /nfs/dbraw/zinc/98/98/81/567989881.db2.gz GAOVNEZXZJLFHI-HNNXBMFYSA-N 1 0 357.429 3.712 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000602549819 567990554 /nfs/dbraw/zinc/99/05/54/567990554.db2.gz FTHPLISAOXZHRN-AOIWGVFYSA-N 1 0 361.555 3.820 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000602578997 567993521 /nfs/dbraw/zinc/99/35/21/567993521.db2.gz QKFIAHUVTIDOHA-WOPDTQHZSA-N 1 0 374.432 3.939 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000602580373 567993662 /nfs/dbraw/zinc/99/36/62/567993662.db2.gz ACBNOVLMRRIMLY-KLAILNCOSA-N 1 0 350.503 3.575 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000602568755 567995888 /nfs/dbraw/zinc/99/58/88/567995888.db2.gz LWJWXGFNUREXJP-WCQYABFASA-N 1 0 360.811 3.862 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000602575422 567996566 /nfs/dbraw/zinc/99/65/66/567996566.db2.gz HPAXDFBKDJUSRB-HUUCEWRRSA-N 1 0 365.880 3.746 20 30 FHEDRO CN1CC[C@@H]([NH2+]CC(C)(C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000602617644 567998151 /nfs/dbraw/zinc/99/81/51/567998151.db2.gz YRTFUQFZTQQVRH-CVEARBPZSA-N 1 0 350.304 3.724 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000602618138 567998264 /nfs/dbraw/zinc/99/82/64/567998264.db2.gz CWYJSNLZZQLRPY-WIYYLYMNSA-N 1 0 355.526 3.586 20 30 FHEDRO Cc1ccc(Br)cc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602624408 567998979 /nfs/dbraw/zinc/99/89/79/567998979.db2.gz ASVTYLNKEIUMBL-AWEZNQCLSA-N 1 0 351.288 3.946 20 30 FHEDRO N#CC1CCC([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000602637664 568002277 /nfs/dbraw/zinc/00/22/77/568002277.db2.gz OFYCXMYMYALBOQ-UHFFFAOYSA-N 1 0 359.271 3.807 20 30 FHEDRO CC(C)Oc1ccc([C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N(C)C)cc1 ZINC000602662934 568012808 /nfs/dbraw/zinc/01/28/08/568012808.db2.gz CEYWMDDLOMOAIA-NQIIRXRSSA-N 1 0 373.541 3.765 20 30 FHEDRO C[C@H](OC[C@@H](O)C[NH2+]CC#Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000521427687 568018631 /nfs/dbraw/zinc/01/86/31/568018631.db2.gz ONBRWXLZGSMMEX-YWZLYKJASA-N 1 0 361.844 3.559 20 30 FHEDRO CSc1ccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000568319863 568024060 /nfs/dbraw/zinc/02/40/60/568024060.db2.gz XUJWAHDUGGMSQA-HXUWFJFHSA-N 1 0 367.518 3.632 20 30 FHEDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)s1 ZINC000602956245 568029063 /nfs/dbraw/zinc/02/90/63/568029063.db2.gz NEWQUYALHNHOBN-OAHLLOKOSA-N 1 0 356.495 3.666 20 30 FHEDRO Cc1ncc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)s1 ZINC000602956241 568029086 /nfs/dbraw/zinc/02/90/86/568029086.db2.gz NBWVBUKPIFBFEP-LBPRGKRZSA-N 1 0 362.886 3.702 20 30 FHEDRO CC(C)(C#N)c1ccccc1Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000603251186 568078583 /nfs/dbraw/zinc/07/85/83/568078583.db2.gz QJKQCPNDEYQYBL-LJQANCHMSA-N 1 0 365.868 3.829 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000481666355 568081040 /nfs/dbraw/zinc/08/10/40/568081040.db2.gz GUVNADWTZUBRAR-QFIPXVFZSA-N 1 0 367.537 3.950 20 30 FHEDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(C#N)cc1Br)C(C)C ZINC000481716438 568094248 /nfs/dbraw/zinc/09/42/48/568094248.db2.gz GSUBNWFHSUAGEJ-QGZVFWFLSA-N 1 0 367.287 3.778 20 30 FHEDRO CN(CCCC[NH+]1CCCCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000603431055 568097069 /nfs/dbraw/zinc/09/70/69/568097069.db2.gz JXLGHTMSFXKBNA-FQEVSTJZSA-N 1 0 356.514 3.939 20 30 FHEDRO CCOc1ccccc1OCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000481779452 568122575 /nfs/dbraw/zinc/12/25/75/568122575.db2.gz MTXUKEZUBHKADD-UHFFFAOYSA-N 1 0 366.461 3.879 20 30 FHEDRO C=CCCC[NH+]1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000522776119 568129172 /nfs/dbraw/zinc/12/91/72/568129172.db2.gz HKOXAJJXRNGPGX-UHFFFAOYSA-N 1 0 371.485 3.685 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000481913257 568182037 /nfs/dbraw/zinc/18/20/37/568182037.db2.gz DTVKTJIJZGPYLJ-CRAIPNDOSA-N 1 0 351.416 3.800 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000481926766 568189109 /nfs/dbraw/zinc/18/91/09/568189109.db2.gz YNHHWUCKTKJVQB-OAQYLSRUSA-N 1 0 368.502 3.779 20 30 FHEDRO Cc1ccc([C@H](C)[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)c(C)c1 ZINC000604081568 568209132 /nfs/dbraw/zinc/20/91/32/568209132.db2.gz XFQGREGUJUNXEC-AZUAARDMSA-N 1 0 352.478 3.802 20 30 FHEDRO N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)CCC2 ZINC000481990576 568215916 /nfs/dbraw/zinc/21/59/16/568215916.db2.gz DXMBBIZSUWCLFA-NZQKXSOJSA-N 1 0 372.516 3.933 20 30 FHEDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(Br)c(C#N)cc2F)C1 ZINC000568917144 568252085 /nfs/dbraw/zinc/25/20/85/568252085.db2.gz WCCQXJISTCLXMI-GFCCVEGCSA-N 1 0 354.267 3.628 20 30 FHEDRO COC(=O)c1cccc(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1C#N ZINC000568939057 568253931 /nfs/dbraw/zinc/25/39/31/568253931.db2.gz LHQFWTIJWHYOOK-NRFANRHFSA-N 1 0 352.409 3.648 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)cc1 ZINC000604340646 568262124 /nfs/dbraw/zinc/26/21/24/568262124.db2.gz ZIEJCZCNDCRNRY-GOSISDBHSA-N 1 0 360.404 3.562 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H](c1nccn1C)C(F)(F)F ZINC000569000544 568266086 /nfs/dbraw/zinc/26/60/86/568266086.db2.gz LHGXYRCTIQAVJE-DOMZBBRYSA-N 1 0 364.371 3.547 20 30 FHEDRO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000303638360 568268088 /nfs/dbraw/zinc/26/80/88/568268088.db2.gz HHOKNOYEBFHKHV-MMOPVJDHSA-N 1 0 357.473 3.626 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)nc1 ZINC000569018230 568271495 /nfs/dbraw/zinc/27/14/95/568271495.db2.gz XSFMLBWITJGZSZ-MRXNPFEDSA-N 1 0 363.396 3.522 20 30 FHEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]2C ZINC000541948045 568272661 /nfs/dbraw/zinc/27/26/61/568272661.db2.gz DUGDLLKOEBUFOF-HOTGVXAUSA-N 1 0 363.461 3.903 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000604414492 568279213 /nfs/dbraw/zinc/27/92/13/568279213.db2.gz USQJWQWAPCGJAC-KNQAVFIVSA-N 1 0 363.505 3.853 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1(CC)CC ZINC000482145115 568285006 /nfs/dbraw/zinc/28/50/06/568285006.db2.gz CPOLVUDXJOPECU-IAGOWNOFSA-N 1 0 363.889 3.724 20 30 FHEDRO N#CCCCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000604384831 568288099 /nfs/dbraw/zinc/28/80/99/568288099.db2.gz HSDPTMLYFJECGD-NRFANRHFSA-N 1 0 363.461 3.972 20 30 FHEDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604503376 568302109 /nfs/dbraw/zinc/30/21/09/568302109.db2.gz IRKMBJPVNKQRID-IFMALSPDSA-N 1 0 352.478 3.966 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000604608347 568326175 /nfs/dbraw/zinc/32/61/75/568326175.db2.gz NXENMTZENZOUEV-SFTDATJTSA-N 1 0 369.530 3.945 20 30 FHEDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000569629530 568411122 /nfs/dbraw/zinc/41/11/22/568411122.db2.gz KTKWRBODSLVFTJ-QGZVFWFLSA-N 1 0 351.288 3.551 20 30 FHEDRO N#Cc1ccc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569533088 568405964 /nfs/dbraw/zinc/40/59/64/568405964.db2.gz BDLJWGXDIYSAQS-HXUWFJFHSA-N 1 0 362.477 3.982 20 30 FHEDRO N#Cc1ccc2ncc(C[NH2+]CC3(Cc4cccc(Cl)c4)CC3)n2c1 ZINC000569669945 568417308 /nfs/dbraw/zinc/41/73/08/568417308.db2.gz NKOSCKQBBHHOTM-UHFFFAOYSA-N 1 0 350.853 3.972 20 30 FHEDRO N#Cc1cccc(C2(NC(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)CC2)c1 ZINC000570235914 568465053 /nfs/dbraw/zinc/46/50/53/568465053.db2.gz SNTILOBXWTYMQY-OAQYLSRUSA-N 1 0 374.488 3.684 20 30 FHEDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000570597807 568490170 /nfs/dbraw/zinc/49/01/70/568490170.db2.gz XYYAPYLGPXSOLG-KKSFZXQISA-N 1 0 363.461 3.802 20 30 FHEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000570612824 568491114 /nfs/dbraw/zinc/49/11/14/568491114.db2.gz VUOFHOAUCBINMX-CQSZACIVSA-N 1 0 352.438 3.851 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(cnn3C(C)C)c2)CC1 ZINC000605042987 568536978 /nfs/dbraw/zinc/53/69/78/568536978.db2.gz SASLACKILUPBQD-UHFFFAOYSA-N 1 0 355.486 3.779 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000050108095 568726976 /nfs/dbraw/zinc/72/69/76/568726976.db2.gz LYPZZFCWWKDHIE-MRXNPFEDSA-N 1 0 370.478 3.587 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC)c1ccsc1 ZINC000050108222 568727731 /nfs/dbraw/zinc/72/77/31/568727731.db2.gz KXJMTODCJZSYJP-KRWDZBQOSA-N 1 0 372.494 3.833 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(OC(C)C)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735419135 598353729 /nfs/dbraw/zinc/35/37/29/598353729.db2.gz PMCLKXBLNLUELS-UHFFFAOYSA-N 1 0 363.465 3.842 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@@H]43)cnc2Cl)c1 ZINC001164412736 718878001 /nfs/dbraw/zinc/87/80/01/718878001.db2.gz YDVAKWMZQQPJIJ-IRXDYDNUSA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1cc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626495 719051518 /nfs/dbraw/zinc/05/15/18/719051518.db2.gz SBMABDWATHWGFO-ZWKOTPCHSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164627290 719058307 /nfs/dbraw/zinc/05/83/07/719058307.db2.gz QKYHWXQRQAGPLK-MJGOQNOKSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cc(Cl)cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164630407 719090727 /nfs/dbraw/zinc/09/07/27/719090727.db2.gz WBUCQMHQLVHJKC-QFBILLFUSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC001164630162 719097488 /nfs/dbraw/zinc/09/74/88/719097488.db2.gz VSOUFTUUTPWOSC-KNQAVFIVSA-N 1 0 358.489 3.543 20 30 FHEDRO CN(CC1CC[NH+](C)CC1)c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001165043157 721937460 /nfs/dbraw/zinc/93/74/60/721937460.db2.gz OTDPFKKEZLMXGW-UHFFFAOYSA-N 1 0 364.493 3.505 20 30 FHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC(C[NH+](C)C)CC3)c12 ZINC001165042966 721951595 /nfs/dbraw/zinc/95/15/95/721951595.db2.gz VHUVDKQNFIPHQG-UHFFFAOYSA-N 1 0 360.864 3.985 20 30 FHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047021 721973739 /nfs/dbraw/zinc/97/37/39/721973739.db2.gz DGTFGEFHUKNXBB-OAHLLOKOSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ccc1Cl ZINC001164995902 722193934 /nfs/dbraw/zinc/19/39/34/722193934.db2.gz ZGENLHVVUIRNER-HXUWFJFHSA-N 1 0 370.859 3.991 20 30 FHEDRO Cc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1C#N ZINC001164995602 722198038 /nfs/dbraw/zinc/19/80/38/722198038.db2.gz VZQGICCHSFXSPY-NRFANRHFSA-N 1 0 350.441 3.646 20 30 FHEDRO C=CCCC[C@H](C)[N@@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000091510197 936325330 /nfs/dbraw/zinc/32/53/30/936325330.db2.gz VBSXSJZGCJOURU-IBGZPJMESA-N 1 0 358.526 3.907 20 30 FHEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCO[C@H]1c1ccnn1CC ZINC000277993315 936329892 /nfs/dbraw/zinc/32/98/92/936329892.db2.gz NIHIVBNHQXKKKA-FXAWDEMLSA-N 1 0 369.513 3.532 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)c(-c3ncco3)c2)CC1 ZINC000162247077 936361453 /nfs/dbraw/zinc/36/14/53/936361453.db2.gz XTYWOXVFUBLEKK-UHFFFAOYSA-N 1 0 354.454 3.812 20 30 FHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166644796 936379399 /nfs/dbraw/zinc/37/93/99/936379399.db2.gz IXGRFJBSOMUKSL-AEFFLSMTSA-N 1 0 374.916 3.871 20 30 FHEDRO C=CCC[C@@H](NC(=O)NCC[NH+]1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000506374950 945064500 /nfs/dbraw/zinc/06/45/00/945064500.db2.gz JDDAJLBSEMVZAX-MRXNPFEDSA-N 1 0 355.404 3.718 20 30 FHEDRO N#Cc1cccc(CCNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000583099678 937121370 /nfs/dbraw/zinc/12/13/70/937121370.db2.gz UNQXPOIZHJWHSB-ISKFKSNPSA-N 1 0 373.500 3.519 20 30 FHEDRO C=CCn1c(SCC[NH+]2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccncc1 ZINC000579733834 927240314 /nfs/dbraw/zinc/24/03/14/927240314.db2.gz QXKLUKAYEFZKII-HOTGVXAUSA-N 1 0 357.527 3.596 20 30 FHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 ZINC000430171505 927511617 /nfs/dbraw/zinc/51/16/17/927511617.db2.gz WFZXFVRVRHTQPE-HBUWYVDXSA-N 1 0 351.416 3.739 20 30 FHEDRO CCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccc(CC)cc1 ZINC000122079402 937171265 /nfs/dbraw/zinc/17/12/65/937171265.db2.gz UIKYIZWUPIRXAF-UHFFFAOYSA-O 1 0 365.881 3.877 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000023409631 927721356 /nfs/dbraw/zinc/72/13/56/927721356.db2.gz FXUKEXHQRSRLTH-IUODEOHRSA-N 1 0 365.260 3.956 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000023409633 927721607 /nfs/dbraw/zinc/72/16/07/927721607.db2.gz FXUKEXHQRSRLTH-SWLSCSKDSA-N 1 0 365.260 3.956 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccccc1 ZINC000122084391 937197245 /nfs/dbraw/zinc/19/72/45/937197245.db2.gz JUFLPYCJSOKABX-UHFFFAOYSA-O 1 0 363.865 3.871 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000583181622 937210968 /nfs/dbraw/zinc/21/09/68/937210968.db2.gz PIDPMUKEQJKKCT-UHFFFAOYSA-N 1 0 357.454 3.909 20 30 FHEDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)c1C ZINC000610215099 928147970 /nfs/dbraw/zinc/14/79/70/928147970.db2.gz SEUBAYAQBGPFLS-DENIHFKCSA-N 1 0 350.462 3.752 20 30 FHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000079798103 937226867 /nfs/dbraw/zinc/22/68/67/937226867.db2.gz CUHBMILSJIUMAJ-QGZVFWFLSA-N 1 0 356.514 3.677 20 30 FHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000079798098 937227040 /nfs/dbraw/zinc/22/70/40/937227040.db2.gz CUHBMILSJIUMAJ-KRWDZBQOSA-N 1 0 356.514 3.677 20 30 FHEDRO CCc1cc(N2CCN(c3snc(C)c3C#N)CC2)c2ccccc2[nH+]1 ZINC000583236552 937266312 /nfs/dbraw/zinc/26/63/12/937266312.db2.gz UAZKNSHOYDSKGF-UHFFFAOYSA-N 1 0 363.490 3.760 20 30 FHEDRO Oc1ccc(Br)cc1/C=N\C1CC[NH+](Cc2ccccn2)CC1 ZINC000254989467 928734570 /nfs/dbraw/zinc/73/45/70/928734570.db2.gz YTHQGPGETQYKJE-MTJSOVHGSA-N 1 0 374.282 3.633 20 30 FHEDRO CC[N@H+](CCCc1ccc(C#N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208863119 928812308 /nfs/dbraw/zinc/81/23/08/928812308.db2.gz XKQTVGZCJYBHIH-IBGZPJMESA-N 1 0 357.498 3.822 20 30 FHEDRO C=CCN(CCN1CCc2cc(C(F)(F)F)ccc2C1)C(=O)OCC ZINC001209021326 929077411 /nfs/dbraw/zinc/07/74/11/929077411.db2.gz XNOHEQSYIVKFRZ-UHFFFAOYSA-N 1 0 356.388 3.708 20 30 FHEDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[NH+]2CCCC2)cc1 ZINC000165046754 929085136 /nfs/dbraw/zinc/08/51/36/929085136.db2.gz WFSWCBARNJLZLE-HXUWFJFHSA-N 1 0 366.421 3.724 20 30 FHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)CCOc2ccc(C#N)cc2OC)cc1 ZINC000535625585 929227405 /nfs/dbraw/zinc/22/74/05/929227405.db2.gz DYLOQBIAGWLYMZ-QGZVFWFLSA-N 1 0 368.477 3.765 20 30 FHEDRO C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187212537 929554169 /nfs/dbraw/zinc/55/41/69/929554169.db2.gz ZFTJKUHRBCSWFH-IERDGZPVSA-N 1 0 367.518 3.599 20 30 FHEDRO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001209240364 929611643 /nfs/dbraw/zinc/61/16/43/929611643.db2.gz WDQDNKSKUZFBEW-FQEVSTJZSA-N 1 0 364.436 3.618 20 30 FHEDRO COc1ccc(O)c(C=Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1 ZINC000255127053 929674434 /nfs/dbraw/zinc/67/44/34/929674434.db2.gz ZGYSRWNZWPKCFE-UHFFFAOYSA-N 1 0 371.456 3.821 20 30 FHEDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000023677896 929693043 /nfs/dbraw/zinc/69/30/43/929693043.db2.gz WBTGDDZGVMDSRM-QUCCMNQESA-N 1 0 358.869 3.887 20 30 FHEDRO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-n2ccc3cc(C[NH3+])cnc32)cc1 ZINC001167316163 929743576 /nfs/dbraw/zinc/74/35/76/929743576.db2.gz HMMWNQABRBRLLP-ZKZBLMLZSA-N 1 0 368.506 3.755 20 30 FHEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000683680548 929767559 /nfs/dbraw/zinc/76/75/59/929767559.db2.gz QUWABGLJQDNPTK-MAUKXSAKSA-N 1 0 358.507 3.935 20 30 FHEDRO C[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccc(C#N)s1 ZINC000134990720 929770138 /nfs/dbraw/zinc/77/01/38/929770138.db2.gz BVRIQRDELHNCCV-HNNXBMFYSA-N 1 0 353.491 3.823 20 30 FHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(OC)c1 ZINC000161667362 937364395 /nfs/dbraw/zinc/36/43/95/937364395.db2.gz FSSGCLGRIYNLKI-FQEVSTJZSA-N 1 0 350.466 3.672 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000275692871 929925239 /nfs/dbraw/zinc/92/52/39/929925239.db2.gz POHPRTIGULIFMW-INIZCTEOSA-N 1 0 358.445 3.842 20 30 FHEDRO CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748132645 929995123 /nfs/dbraw/zinc/99/51/23/929995123.db2.gz XWDQKPNZJYOWQZ-UHFFFAOYSA-N 1 0 370.522 3.646 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610343487 930044239 /nfs/dbraw/zinc/04/42/39/930044239.db2.gz JIYUJIVKDVZZQU-CVEARBPZSA-N 1 0 353.491 3.874 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610346003 930046442 /nfs/dbraw/zinc/04/64/42/930046442.db2.gz HDOJYDCRWINMQL-HZPDHXFCSA-N 1 0 364.449 3.563 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348817 930062286 /nfs/dbraw/zinc/06/22/86/930062286.db2.gz LETAOXLHCYJTCI-LAUBAEHRSA-N 1 0 362.477 3.583 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000610348745 930066564 /nfs/dbraw/zinc/06/65/64/930066564.db2.gz ZGPMNLMGMXOSQI-KRWDZBQOSA-N 1 0 364.493 3.960 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000610350347 930085718 /nfs/dbraw/zinc/08/57/18/930085718.db2.gz SNXUICCFMQYHPA-OXJNMPFZSA-N 1 0 350.466 3.530 20 30 FHEDRO Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000610370272 930170402 /nfs/dbraw/zinc/17/04/02/930170402.db2.gz YEXFFSVXXDBMRU-OAQYLSRUSA-N 1 0 366.505 3.710 20 30 FHEDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)o1 ZINC000610372056 930178600 /nfs/dbraw/zinc/17/86/00/930178600.db2.gz XENBZRZMPQWTKP-LRQRDZAKSA-N 1 0 368.477 3.867 20 30 FHEDRO N#Cc1cnn(-c2ccc(F)cc2)c1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210706198 930185592 /nfs/dbraw/zinc/18/55/92/930185592.db2.gz UXUFBMSMGXYODW-GOSISDBHSA-N 1 0 351.429 3.827 20 30 FHEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083243588 930190136 /nfs/dbraw/zinc/19/01/36/930190136.db2.gz LGJJXVRVDDMFNG-LJQANCHMSA-N 1 0 361.489 3.786 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2cccc(C#N)n2)CCCC1)c1ccccc1 ZINC000580071706 930210618 /nfs/dbraw/zinc/21/06/18/930210618.db2.gz HNPHBIVMUUQKKL-INIZCTEOSA-N 1 0 363.465 3.738 20 30 FHEDRO C=C[C@H](CC(=O)NC1(C(F)(F)F)CC[NH+](CC)CC1)c1ccccc1 ZINC000891209305 930226874 /nfs/dbraw/zinc/22/68/74/930226874.db2.gz KVXOFADSCSIBMI-OAHLLOKOSA-N 1 0 354.416 3.879 20 30 FHEDRO Cn1cc([C@@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CC2(C)C)cn1 ZINC000583389164 937398247 /nfs/dbraw/zinc/39/82/47/937398247.db2.gz DBNNDTVYNGTOHF-INIZCTEOSA-N 1 0 373.298 3.680 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000471541333 930264826 /nfs/dbraw/zinc/26/48/26/930264826.db2.gz LGVZKGVSNMBYJA-UHFFFAOYSA-N 1 0 368.308 3.932 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000580175202 930334953 /nfs/dbraw/zinc/33/49/53/930334953.db2.gz PODIVRNKCJMHRL-SJLPKXTDSA-N 1 0 359.539 3.510 20 30 FHEDRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580293911 930444652 /nfs/dbraw/zinc/44/46/52/930444652.db2.gz JXHJPYKYMKLVNK-KEIZBESESA-N 1 0 373.500 3.689 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\Sc1ccccc1 ZINC000255193536 930482520 /nfs/dbraw/zinc/48/25/20/930482520.db2.gz CLNTZACPVLKHHU-KAMYIIQDSA-N 1 0 365.502 3.754 20 30 FHEDRO [NH3+]C[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000656195005 930573013 /nfs/dbraw/zinc/57/30/13/930573013.db2.gz RRQWTXUJUFYMCN-SECBINFHSA-N 1 0 354.216 3.703 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000561079841 930584691 /nfs/dbraw/zinc/58/46/91/930584691.db2.gz VBCOYNSMHLBQGL-HNNXBMFYSA-N 1 0 353.491 3.828 20 30 FHEDRO C[C@@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000074918034 930592590 /nfs/dbraw/zinc/59/25/90/930592590.db2.gz DNWCZWQARQHWIM-GOSISDBHSA-N 1 0 368.525 3.917 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1Cl ZINC000580449910 930691011 /nfs/dbraw/zinc/69/10/11/930691011.db2.gz BCBSFZDTILVKSR-GOSISDBHSA-N 1 0 362.901 3.641 20 30 FHEDRO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000319781476 930858162 /nfs/dbraw/zinc/85/81/62/930858162.db2.gz GURXSWBLKZCSIL-GFCCVEGCSA-N 1 0 373.250 3.943 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccc2ncccc2c1)C(C)C ZINC000471602125 930931144 /nfs/dbraw/zinc/93/11/44/930931144.db2.gz MSTJJMFAYRTTMT-NRFANRHFSA-N 1 0 366.509 3.733 20 30 FHEDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000580685348 931013770 /nfs/dbraw/zinc/01/37/70/931013770.db2.gz HYNPNKSMPBJZRJ-QGZVFWFLSA-N 1 0 352.482 3.501 20 30 FHEDRO COCC1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCCCC1 ZINC000579778921 931019797 /nfs/dbraw/zinc/01/97/97/931019797.db2.gz VQRHSYXWMLWQMM-UHFFFAOYSA-N 1 0 352.482 3.645 20 30 FHEDRO C=C(C)[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000548128691 931041955 /nfs/dbraw/zinc/04/19/55/931041955.db2.gz BAEGCJNZWGMCNP-KBXCAEBGSA-N 1 0 351.441 3.612 20 30 FHEDRO C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000610461760 931151457 /nfs/dbraw/zinc/15/14/57/931151457.db2.gz GUHHRXGFRDLEQQ-IFXJQAMLSA-N 1 0 370.884 3.875 20 30 FHEDRO COc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1OC ZINC000160649647 931185849 /nfs/dbraw/zinc/18/58/49/931185849.db2.gz JQXDGYRYEORNLL-UHFFFAOYSA-N 1 0 369.343 3.529 20 30 FHEDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCSCc1ccccc1C#N ZINC000177823113 931232721 /nfs/dbraw/zinc/23/27/21/931232721.db2.gz BYTHFSRLZWYJIG-KRWDZBQOSA-N 1 0 367.518 3.823 20 30 FHEDRO Cn1cc(C#N)cc1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000177826432 931233406 /nfs/dbraw/zinc/23/34/06/931233406.db2.gz UTBPUQZMQWDGAE-UHFFFAOYSA-N 1 0 372.472 3.555 20 30 FHEDRO COCc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160655831 931247617 /nfs/dbraw/zinc/24/76/17/931247617.db2.gz HFLATNZYUZYXEU-UHFFFAOYSA-N 1 0 353.344 3.658 20 30 FHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc(C#N)cs1 ZINC000084089090 931403153 /nfs/dbraw/zinc/40/31/53/931403153.db2.gz FFNMISSAYHXZFI-UHFFFAOYSA-N 1 0 357.504 3.729 20 30 FHEDRO C=CCn1ncc2ccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)cc21 ZINC000933063570 931429203 /nfs/dbraw/zinc/42/92/03/931429203.db2.gz QFXYXGFJGYFLIJ-UHFFFAOYSA-N 1 0 367.497 3.705 20 30 FHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cnc3ccc(C)cn23)ccc1OC ZINC000156756608 931434017 /nfs/dbraw/zinc/43/40/17/931434017.db2.gz FFQKVKKSVZNAMQ-GOSISDBHSA-N 1 0 364.449 3.622 20 30 FHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccco1 ZINC000581032643 931478469 /nfs/dbraw/zinc/47/84/69/931478469.db2.gz ZLOWJJZGSBDCME-KDOFPFPSSA-N 1 0 369.440 3.568 20 30 FHEDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000610476894 931556932 /nfs/dbraw/zinc/55/69/32/931556932.db2.gz RIQLSHZQUMXVLU-BSLALVQMSA-N 1 0 368.452 3.715 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc1 ZINC000175979154 931564152 /nfs/dbraw/zinc/56/41/52/931564152.db2.gz LIFPAEHNGJYYQN-YJBOKZPZSA-N 1 0 355.869 3.999 20 30 FHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C3(c4cccc(C#N)c4)CC3)cccc21 ZINC000581166049 931629943 /nfs/dbraw/zinc/62/99/43/931629943.db2.gz WYHDJIIXNATBPQ-LJQANCHMSA-N 1 0 361.445 3.614 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000177965676 931799298 /nfs/dbraw/zinc/79/92/98/931799298.db2.gz BXHMJMOTJIWDBH-SFHVURJKSA-N 1 0 353.510 3.604 20 30 FHEDRO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000126497418 931902139 /nfs/dbraw/zinc/90/21/39/931902139.db2.gz ZQAZVTBZCDDGLI-ZDUSSCGKSA-N 1 0 365.568 3.901 20 30 FHEDRO CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(OC)c(C#N)c1 ZINC000135202063 932046935 /nfs/dbraw/zinc/04/69/35/932046935.db2.gz RGNTVHBFRFOLNT-UHFFFAOYSA-N 1 0 351.450 3.644 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@H](c2nccn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000328782977 932049361 /nfs/dbraw/zinc/04/93/61/932049361.db2.gz NIDJUWICNORFKN-UWAICQJNSA-N 1 0 356.514 3.728 20 30 FHEDRO N#Cc1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1C(F)(F)F ZINC000581467752 932104728 /nfs/dbraw/zinc/10/47/28/932104728.db2.gz PQIJAMVREBIKMV-UHFFFAOYSA-N 1 0 366.387 3.573 20 30 FHEDRO C=CCn1c(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC000581517104 932194976 /nfs/dbraw/zinc/19/49/76/932194976.db2.gz OJBUWBZLOWMYRN-SFHVURJKSA-N 1 0 367.541 3.862 20 30 FHEDRO N#CCc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000156261021 932213975 /nfs/dbraw/zinc/21/39/75/932213975.db2.gz ZSZGMAUHYVCCHB-UHFFFAOYSA-N 1 0 354.498 3.873 20 30 FHEDRO C[N@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000581544667 932229860 /nfs/dbraw/zinc/22/98/60/932229860.db2.gz MQLKAPDUIZGCHI-FXAWDEMLSA-N 1 0 368.525 3.943 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]CC2CCC(F)(F)CC2)c(OC)c1 ZINC000581603797 932303958 /nfs/dbraw/zinc/30/39/58/932303958.db2.gz VUWVDTYZRUZTCP-QGZVFWFLSA-N 1 0 369.452 3.579 20 30 FHEDRO N#Cc1ccccc1CSCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178084098 932350171 /nfs/dbraw/zinc/35/01/71/932350171.db2.gz OFGGBYZHGAGNLV-SFHVURJKSA-N 1 0 371.550 3.562 20 30 FHEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000477188120 932380011 /nfs/dbraw/zinc/38/00/11/932380011.db2.gz MWURXEJNWRBDDQ-YADHBBJMSA-N 1 0 361.489 3.833 20 30 FHEDRO N#Cc1cccc(-c2noc(CC3(c4ccc(F)cc4)CC[NH2+]CC3)n2)c1 ZINC001211516454 932386007 /nfs/dbraw/zinc/38/60/07/932386007.db2.gz PNUBQZGBWGFNFS-UHFFFAOYSA-N 1 0 362.408 3.611 20 30 FHEDRO N#Cc1csc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000178098298 932449491 /nfs/dbraw/zinc/44/94/91/932449491.db2.gz RSJXXWGBKQIBLE-UHFFFAOYSA-N 1 0 355.463 3.737 20 30 FHEDRO N#Cc1cccc(OCCC[N@@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000477287670 932452929 /nfs/dbraw/zinc/45/29/29/932452929.db2.gz SJICPBRTUUBSFP-QFIPXVFZSA-N 1 0 350.462 3.699 20 30 FHEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)N1CCCC[C@H]1C ZINC000581717348 932551633 /nfs/dbraw/zinc/55/16/33/932551633.db2.gz VTFPOWISKRRIIM-ROFGYTOFSA-N 1 0 353.510 3.770 20 30 FHEDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000548212070 932637008 /nfs/dbraw/zinc/63/70/08/932637008.db2.gz WMVGUWZXPJQWIJ-FUHWJXTLSA-N 1 0 369.490 3.847 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000328818570 932681924 /nfs/dbraw/zinc/68/19/24/932681924.db2.gz OIIPIDZYAWTUPP-MELADBBJSA-N 1 0 361.511 3.880 20 30 FHEDRO Cc1nn(C(C)C)c(C)c1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000891540560 932726085 /nfs/dbraw/zinc/72/60/85/932726085.db2.gz PFWFMCCUMUESBV-UHFFFAOYSA-N 1 0 365.525 3.660 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000548287945 932832899 /nfs/dbraw/zinc/83/28/99/932832899.db2.gz LHGTVDRAFYGGJS-FQEVSTJZSA-N 1 0 367.880 3.852 20 30 FHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CCC2CC2)c1C#N ZINC000135296029 932834098 /nfs/dbraw/zinc/83/40/98/932834098.db2.gz NJCFLDJLOCKTFU-UHFFFAOYSA-N 1 0 364.493 3.695 20 30 FHEDRO CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000135320197 932849890 /nfs/dbraw/zinc/84/98/90/932849890.db2.gz BWULZRWKIBJXQR-SFHVURJKSA-N 1 0 365.481 3.583 20 30 FHEDRO C=CC[C@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000548299263 932887464 /nfs/dbraw/zinc/88/74/64/932887464.db2.gz LHTPEFKSXGCKRS-QFIPXVFZSA-N 1 0 363.505 3.732 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000891648282 932921183 /nfs/dbraw/zinc/92/11/83/932921183.db2.gz MCTPOQJMFAAZGL-UHFFFAOYSA-N 1 0 368.506 3.557 20 30 FHEDRO CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C)[NH+](C)C ZINC000413417574 932933379 /nfs/dbraw/zinc/93/33/79/932933379.db2.gz KNMIDSCNAGXACK-LJQANCHMSA-N 1 0 353.441 3.879 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000471810096 932998636 /nfs/dbraw/zinc/99/86/36/932998636.db2.gz MYZFZMISPPFJAV-XLIONFOSSA-N 1 0 359.489 3.802 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000510692688 933439166 /nfs/dbraw/zinc/43/91/66/933439166.db2.gz HCWWFXITWLTYAR-JKSUJKDBSA-N 1 0 358.486 3.587 20 30 FHEDRO O=C(C[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)NC1CCCCC1 ZINC000328971159 933514388 /nfs/dbraw/zinc/51/43/88/933514388.db2.gz BLSVJFNYEXOXMT-LJQANCHMSA-N 1 0 350.890 3.609 20 30 FHEDRO C[C@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCCCCC1 ZINC000510744574 933617180 /nfs/dbraw/zinc/61/71/80/933617180.db2.gz ADZGWDWASGKMIN-QHGAOEGBSA-N 1 0 369.509 3.629 20 30 FHEDRO N#Cc1c(Br)cccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000477837823 933678135 /nfs/dbraw/zinc/67/81/35/933678135.db2.gz MKOZDVMHVOEVDK-UHFFFAOYSA-N 1 0 371.282 3.792 20 30 FHEDRO CC1(c2ccccc2)CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000510794023 933733080 /nfs/dbraw/zinc/73/30/80/933733080.db2.gz AEAHCVXEQRXUMD-NRFANRHFSA-N 1 0 359.473 3.717 20 30 FHEDRO CC1(c2ccccc2)CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000510794029 933733120 /nfs/dbraw/zinc/73/31/20/933733120.db2.gz AEAHCVXEQRXUMD-OAQYLSRUSA-N 1 0 359.473 3.717 20 30 FHEDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000610676650 933737914 /nfs/dbraw/zinc/73/79/14/933737914.db2.gz QAJITQCZMAZMOX-IBGZPJMESA-N 1 0 362.477 3.617 20 30 FHEDRO N#Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)ccc1F ZINC000510840460 933839479 /nfs/dbraw/zinc/83/94/79/933839479.db2.gz DFNRQKUBMAIZPQ-QGZVFWFLSA-N 1 0 373.378 3.793 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000891919634 934036501 /nfs/dbraw/zinc/03/65/01/934036501.db2.gz ZHAGOOYUZMUCBE-FPOVZHCZSA-N 1 0 354.498 3.597 20 30 FHEDRO CC(C)[NH+]1CCC(C(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)CC1 ZINC000891931971 934079559 /nfs/dbraw/zinc/07/95/59/934079559.db2.gz OUFCNTQXADTXKQ-UHFFFAOYSA-N 1 0 362.477 3.607 20 30 FHEDRO COc1ccc(CN2CC[N@H+](C)CC23CCCCC3)cc1OCCCC#N ZINC000093872066 934181318 /nfs/dbraw/zinc/18/13/18/934181318.db2.gz HUXIQYORXGTKSX-UHFFFAOYSA-N 1 0 371.525 3.828 20 30 FHEDRO CC1CC[NH+]([C@@H](C/N=C/c2ccc(O)c(O)c2O)c2cccs2)CC1 ZINC000022769488 934355768 /nfs/dbraw/zinc/35/57/68/934355768.db2.gz JNROYZIDHWZTEH-BBJIBYMTSA-N 1 0 360.479 3.757 20 30 FHEDRO COc1cc(C)ccc1[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809670 934450101 /nfs/dbraw/zinc/45/01/01/934450101.db2.gz MUBNLOLWNNEVDG-MRXNPFEDSA-N 1 0 350.466 3.590 20 30 FHEDRO N#CCN1CCC([NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000610812930 934485069 /nfs/dbraw/zinc/48/50/69/934485069.db2.gz PPCFXJBIZYDGLO-OAQYLSRUSA-N 1 0 355.432 3.826 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277095038 934487804 /nfs/dbraw/zinc/48/78/04/934487804.db2.gz OGJXRCIDVZNPRK-HZPDHXFCSA-N 1 0 360.527 3.886 20 30 FHEDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829735 934502018 /nfs/dbraw/zinc/50/20/18/934502018.db2.gz HFUUOOCWCIMVOG-KBPBESRZSA-N 1 0 352.394 3.534 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000176203263 934604881 /nfs/dbraw/zinc/60/48/81/934604881.db2.gz GALUNYKBUYRURF-LJQANCHMSA-N 1 0 374.893 3.726 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1C#N ZINC000610936782 934635296 /nfs/dbraw/zinc/63/52/96/934635296.db2.gz CIBWNGVSGPFRAA-IBGZPJMESA-N 1 0 370.497 3.828 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000151249212 934762963 /nfs/dbraw/zinc/76/29/63/934762963.db2.gz UEMHRDSFIBHWDD-QGZVFWFLSA-N 1 0 370.884 3.786 20 30 FHEDRO N#Cc1cc(Br)ccc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000561864313 934765449 /nfs/dbraw/zinc/76/54/49/934765449.db2.gz BMTSPRQOUKENTJ-GOSISDBHSA-N 1 0 362.315 3.771 20 30 FHEDRO C=C(C)[C@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)OCC ZINC000535914630 934785667 /nfs/dbraw/zinc/78/56/67/934785667.db2.gz MIKMUVLUEPLNAU-XLIONFOSSA-N 1 0 360.498 3.717 20 30 FHEDRO COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000380694563 934874721 /nfs/dbraw/zinc/87/47/21/934874721.db2.gz MNHWOZMUEFUUKX-NRFANRHFSA-N 1 0 363.505 3.959 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc(Br)cc2C#N)C1 ZINC000450262551 934878456 /nfs/dbraw/zinc/87/84/56/934878456.db2.gz NPOIZKGGNPNFCB-IOASZLSFSA-N 1 0 363.303 3.557 20 30 FHEDRO C[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000431288993 934889801 /nfs/dbraw/zinc/88/98/01/934889801.db2.gz VJYLVBRFEPLTHM-AZUAARDMSA-N 1 0 356.514 3.841 20 30 FHEDRO N#Cc1ccc([C@@H](O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000156709960 934896302 /nfs/dbraw/zinc/89/63/02/934896302.db2.gz GAUXZEOGYMAUMS-UFYCRDLUSA-N 1 0 354.450 3.553 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000119654809 934986602 /nfs/dbraw/zinc/98/66/02/934986602.db2.gz OLKDDJFDLIHENI-UHFFFAOYSA-N 1 0 366.436 3.688 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548616120 935014117 /nfs/dbraw/zinc/01/41/17/935014117.db2.gz RJIKZQHJTYOFHE-QRWLVFNGSA-N 1 0 367.880 3.852 20 30 FHEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c(-c2ccccc2)n1 ZINC000157082256 935019729 /nfs/dbraw/zinc/01/97/29/935019729.db2.gz IUHHPIUYGZEMNT-VQTJNVASSA-N 1 0 350.466 3.511 20 30 FHEDRO N#CC[C@@H](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000375655353 935036419 /nfs/dbraw/zinc/03/64/19/935036419.db2.gz MBHBNGDETNXXMA-FQEVSTJZSA-N 1 0 362.477 3.502 20 30 FHEDRO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000509544630 945073941 /nfs/dbraw/zinc/07/39/41/945073941.db2.gz QKNIVZNLEDEPFM-HKUYNNGSSA-N 1 0 363.452 3.588 20 30 FHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000157520372 935085299 /nfs/dbraw/zinc/08/52/99/935085299.db2.gz GNXKRIVPXLURTM-GXTWGEPZSA-N 1 0 371.485 3.706 20 30 FHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cccc(C#N)c1 ZINC000472125587 935096774 /nfs/dbraw/zinc/09/67/74/935096774.db2.gz FYUJXFGFAPSPRL-MRXNPFEDSA-N 1 0 361.445 3.503 20 30 FHEDRO CCOc1ccc(O)c(C=Nc2ccc3c(c2)C[N@@H+](CCCOC)C3)c1 ZINC000299736473 945081861 /nfs/dbraw/zinc/08/18/61/945081861.db2.gz PVWXUMFNDOSDHJ-UHFFFAOYSA-N 1 0 354.450 3.894 20 30 FHEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1F ZINC000119757718 935194341 /nfs/dbraw/zinc/19/43/41/935194341.db2.gz NVRRFCKKUAMKGE-UHFFFAOYSA-N 1 0 355.388 3.687 20 30 FHEDRO C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](C)[C@@H]2C)c1=S ZINC000246975997 935215363 /nfs/dbraw/zinc/21/53/63/935215363.db2.gz QDFRQQZPSOXKRK-GJZGRUSLSA-N 1 0 358.511 3.963 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)N(CCC#N)c1ccccc1 ZINC000507263747 945086997 /nfs/dbraw/zinc/08/69/97/945086997.db2.gz CPFXNXFJCRYACX-HOTGVXAUSA-N 1 0 361.449 3.549 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[C@@H]1n1cccn1 ZINC000551317536 935253442 /nfs/dbraw/zinc/25/34/42/935253442.db2.gz MWYLDGWZIWZUJM-MHTWAQMVSA-N 1 0 350.466 3.531 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000178535708 935283757 /nfs/dbraw/zinc/28/37/57/935283757.db2.gz XJVQZKXBCBUOFC-UHFFFAOYSA-N 1 0 362.477 3.995 20 30 FHEDRO N#Cc1cccc(C2(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)CC2)c1 ZINC000435023462 935287877 /nfs/dbraw/zinc/28/78/77/935287877.db2.gz KLKSDHLGZPZKTR-FQEVSTJZSA-N 1 0 365.521 3.704 20 30 FHEDRO C=CCCn1cc(C[NH2+]CC(C)(C)c2cccc(C(F)(F)F)c2)nn1 ZINC000657343582 935292150 /nfs/dbraw/zinc/29/21/50/935292150.db2.gz NLHWUMBTVIKGPS-UHFFFAOYSA-N 1 0 352.404 3.940 20 30 FHEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551546934 935310175 /nfs/dbraw/zinc/31/01/75/935310175.db2.gz BGXXYLTZLFFWSJ-LJQANCHMSA-N 1 0 366.440 3.928 20 30 FHEDRO CCOC(=O)CC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000519598107 945092351 /nfs/dbraw/zinc/09/23/51/945092351.db2.gz SFBVXQXTYAPDPV-IERDGZPVSA-N 1 0 366.461 3.580 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000516647579 945094317 /nfs/dbraw/zinc/09/43/17/945094317.db2.gz WDFXEIGTKCIMMU-GHTZIAJQSA-N 1 0 368.525 3.765 20 30 FHEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000582194153 935392343 /nfs/dbraw/zinc/39/23/43/935392343.db2.gz UYMZFFBMTNCMMO-UHFFFAOYSA-N 1 0 371.554 3.548 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000178550380 935393106 /nfs/dbraw/zinc/39/31/06/935393106.db2.gz QTTWIELBCBENQS-QGZVFWFLSA-N 1 0 362.477 3.995 20 30 FHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1cccc(C#N)c1C)[NH+](C)C ZINC000478045420 935413890 /nfs/dbraw/zinc/41/38/90/935413890.db2.gz AOGSNAYFVSVRPZ-UZLBHIALSA-N 1 0 350.466 3.988 20 30 FHEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000091173136 935452452 /nfs/dbraw/zinc/45/24/52/935452452.db2.gz MZLOOYYVTPOFBY-UHFFFAOYSA-N 1 0 364.449 3.910 20 30 FHEDRO CCOc1cccc(/C=N/C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1O ZINC000158273730 935478340 /nfs/dbraw/zinc/47/83/40/935478340.db2.gz SERMACGJACKDLG-PFRBSUFTSA-N 1 0 353.466 3.830 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C2CCCCC2)c1C#N ZINC000014633003 935479206 /nfs/dbraw/zinc/47/92/06/935479206.db2.gz UGUXHHADGPUWTN-UHFFFAOYSA-N 1 0 368.481 3.821 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(CC#N)c1 ZINC000511782991 945105632 /nfs/dbraw/zinc/10/56/32/945105632.db2.gz BNTVEEFMUDWWJZ-NRFANRHFSA-N 1 0 361.489 3.783 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000660514634 945108139 /nfs/dbraw/zinc/10/81/39/945108139.db2.gz NXSJIJYXRNLSBS-QZTJIDSGSA-N 1 0 361.555 3.958 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000178567290 935584228 /nfs/dbraw/zinc/58/42/28/935584228.db2.gz JZJAYXPILILPMI-WMZOPIPTSA-N 1 0 354.498 3.985 20 30 FHEDRO CCCCn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(C)n1 ZINC000478202584 935591295 /nfs/dbraw/zinc/59/12/95/935591295.db2.gz IMTBHOHHBXDBMY-UHFFFAOYSA-N 1 0 362.481 3.554 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(Cl)c1 ZINC000158162495 935605433 /nfs/dbraw/zinc/60/54/33/935605433.db2.gz HRCPCJXTEIIBOJ-UHFFFAOYSA-N 1 0 359.832 3.555 20 30 FHEDRO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000511109922 935615062 /nfs/dbraw/zinc/61/50/62/935615062.db2.gz WJZGYVYAQRCJKF-UHFFFAOYSA-N 1 0 367.415 3.680 20 30 FHEDRO C[N@H+](CCc1cccc2ccccc21)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000507294296 945112416 /nfs/dbraw/zinc/11/24/16/945112416.db2.gz VTWRZTXDPAXWJA-QHCPKHFHSA-N 1 0 369.468 3.991 20 30 FHEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511111896 935621516 /nfs/dbraw/zinc/62/15/16/935621516.db2.gz WOTXREGEWVCCBB-GDBMZVCRSA-N 1 0 367.415 3.645 20 30 FHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000178585367 935763272 /nfs/dbraw/zinc/76/32/72/935763272.db2.gz IUEKUVUMDUZYJN-UHFFFAOYSA-N 1 0 357.502 3.597 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)nn1 ZINC000657453867 935812359 /nfs/dbraw/zinc/81/23/59/935812359.db2.gz ABLITGOVHWQDIG-KOMQPUFPSA-N 1 0 350.388 3.909 20 30 FHEDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000611620381 935825362 /nfs/dbraw/zinc/82/53/62/935825362.db2.gz OYVNJDGXRRBVKY-UHFFFAOYSA-N 1 0 367.453 3.549 20 30 FHEDRO C[N@H+](CCCCC(C)(C)C#N)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000277694439 935826235 /nfs/dbraw/zinc/82/62/35/935826235.db2.gz LLGBFNOLTUDEDP-UHFFFAOYSA-N 1 0 366.527 3.511 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000582574921 935846543 /nfs/dbraw/zinc/84/65/43/935846543.db2.gz PURMBJWWNORBAI-UYAOXDASSA-N 1 0 355.869 3.755 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000023994802 935877852 /nfs/dbraw/zinc/87/78/52/935877852.db2.gz QJTNXKZMMHJXIO-CHWSQXEVSA-N 1 0 372.266 3.999 20 30 FHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c(C#N)c1C ZINC000582663848 935919708 /nfs/dbraw/zinc/91/97/08/935919708.db2.gz IZRAFQVLOFLOQB-DDTOSNHZSA-N 1 0 357.376 3.806 20 30 FHEDRO CC[NH+](CC)CCOC1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000075063820 935947228 /nfs/dbraw/zinc/94/72/28/935947228.db2.gz QEOKDOQEMNJPQY-UHFFFAOYSA-N 1 0 369.431 3.904 20 30 FHEDRO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(CCC#N)CC1 ZINC000582724441 935990115 /nfs/dbraw/zinc/99/01/15/935990115.db2.gz UNLGDFUCAZFUKH-ZDUSSCGKSA-N 1 0 364.287 3.792 20 30 FHEDRO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCCSCC#N)CC1 ZINC000074991609 936002609 /nfs/dbraw/zinc/00/26/09/936002609.db2.gz PFAWEXMQGGRFNC-SFHVURJKSA-N 1 0 353.482 3.680 20 30 FHEDRO CN(C(=O)C[N@H+](C)CCc1cccc2ccccc21)C1(C#N)CCCCC1 ZINC000507321618 945143163 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CN(CCC#N)C(=O)CC[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511211509 936251498 /nfs/dbraw/zinc/25/14/98/936251498.db2.gz NWUXGBYCPHXDFI-UHFFFAOYSA-N 1 0 366.292 3.845 20 30 FHEDRO CCC[N@H+](CCOc1ccccc1C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000507346155 945159581 /nfs/dbraw/zinc/15/95/81/945159581.db2.gz GFMVGOAAQDJDPB-KRWDZBQOSA-N 1 0 351.450 3.676 20 30 FHEDRO O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329137305 938266331 /nfs/dbraw/zinc/26/63/31/938266331.db2.gz DEGAYWDIMQQXRN-AWEZNQCLSA-N 1 0 364.873 3.627 20 30 FHEDRO CSc1ccc([C@@H](CNc2nc3c(cc2C#N)CCC3)[NH+](C)C)cc1 ZINC000583487736 938275343 /nfs/dbraw/zinc/27/53/43/938275343.db2.gz DMMZYNDUQIYTGU-LJQANCHMSA-N 1 0 352.507 3.879 20 30 FHEDRO CC(C)(CNC(=O)C1(c2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000187783731 938291829 /nfs/dbraw/zinc/29/18/29/938291829.db2.gz BXFIAPRNHFVCQW-UHFFFAOYSA-N 1 0 373.500 3.543 20 30 FHEDRO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2F)n1 ZINC000329228212 938295128 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C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000329643553 938570608 /nfs/dbraw/zinc/57/06/08/938570608.db2.gz IYBLIVNGEYOKJC-NVXWUHKLSA-N 1 0 355.482 3.912 20 30 FHEDRO N#Cc1cccc(C2([NH2+]CCC(=O)N[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000584099464 938598210 /nfs/dbraw/zinc/59/82/10/938598210.db2.gz FGHDQFPUMGBIRX-OAQYLSRUSA-N 1 0 359.473 3.721 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3sccc3[C@H]2C)c(OC)c1 ZINC000052816640 938609156 /nfs/dbraw/zinc/60/91/56/938609156.db2.gz YCDRQBPEBCNFEH-WBVHZDCISA-N 1 0 373.518 3.844 20 30 FHEDRO O=C(C[N@@H+]1CCC[C@H](C2CC2)C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000329682105 938612432 /nfs/dbraw/zinc/61/24/32/938612432.db2.gz YOZOVJJDCGGYIV-AWEZNQCLSA-N 1 0 359.861 3.631 20 30 FHEDRO Cc1csc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000584151197 938618904 /nfs/dbraw/zinc/61/89/04/938618904.db2.gz JJIWMNSFLXQJIM-DYVFJYSZSA-N 1 0 354.479 3.570 20 30 FHEDRO Cc1csc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000584151196 938619020 /nfs/dbraw/zinc/61/90/20/938619020.db2.gz JJIWMNSFLXQJIM-CXAGYDPISA-N 1 0 354.479 3.570 20 30 FHEDRO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000329698514 938627123 /nfs/dbraw/zinc/62/71/23/938627123.db2.gz CRQOHTPBMWHBTR-VQTJNVASSA-N 1 0 366.509 3.581 20 30 FHEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000329698513 938627141 /nfs/dbraw/zinc/62/71/41/938627141.db2.gz CRQOHTPBMWHBTR-PMACEKPBSA-N 1 0 366.509 3.581 20 30 FHEDRO CN(CC(C)(C)C#N)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000584216603 938645649 /nfs/dbraw/zinc/64/56/49/938645649.db2.gz FOJNZQKDJBGCIX-QGZVFWFLSA-N 1 0 362.905 3.668 20 30 FHEDRO N#CCCn1cc(C[NH2+]CCOC2CCCCCC2)c(-c2ccncc2)n1 ZINC000278685431 938651430 /nfs/dbraw/zinc/65/14/30/938651430.db2.gz PLCQFPQGLJYCNV-UHFFFAOYSA-N 1 0 367.497 3.688 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000458797722 938662725 /nfs/dbraw/zinc/66/27/25/938662725.db2.gz GPLVCLBPWVYEKA-UXHICEINSA-N 1 0 354.498 3.691 20 30 FHEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000176816130 938672034 /nfs/dbraw/zinc/67/20/34/938672034.db2.gz PYYUMXZBQGZGAS-UHFFFAOYSA-N 1 0 363.387 3.747 20 30 FHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000081119130 938721179 /nfs/dbraw/zinc/72/11/79/938721179.db2.gz YDSJCSNYOVZOIA-FCHUYYIVSA-N 1 0 359.473 3.574 20 30 FHEDRO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000548825969 938824160 /nfs/dbraw/zinc/82/41/60/938824160.db2.gz NYXYYMBWAKSEER-MRXNPFEDSA-N 1 0 365.452 3.881 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O ZINC000573231598 938828166 /nfs/dbraw/zinc/82/81/66/938828166.db2.gz MRNDWYAIWHRGBL-PBHICJAKSA-N 1 0 369.440 3.731 20 30 FHEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000480311482 938831425 /nfs/dbraw/zinc/83/14/25/938831425.db2.gz SBIWBHCEFAYLTN-LLVKDONJSA-N 1 0 350.235 3.519 20 30 FHEDRO N#Cc1ccccc1/C=C\C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000255594913 938851057 /nfs/dbraw/zinc/85/10/57/938851057.db2.gz XZSFQEUPNSSEDK-YAINUAMHSA-N 1 0 351.494 3.686 20 30 FHEDRO C[N@@H+]1CC[C@@H](CNC(=O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000278768750 938851653 /nfs/dbraw/zinc/85/16/53/938851653.db2.gz OGVWMBJYFVOQQC-GUYCJALGSA-N 1 0 351.853 3.528 20 30 FHEDRO Cc1cc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc(C(F)(F)F)c1 ZINC001143455150 938858625 /nfs/dbraw/zinc/85/86/25/938858625.db2.gz PBQLQWHSGNFYFS-UHFFFAOYSA-N 1 0 374.410 3.993 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000092484887 938914373 /nfs/dbraw/zinc/91/43/73/938914373.db2.gz ZBQFHLPSEBQRLB-UHFFFAOYSA-N 1 0 356.491 3.707 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000458799745 938937855 /nfs/dbraw/zinc/93/78/55/938937855.db2.gz KBDMHGGMJJJECM-FQEVSTJZSA-N 1 0 354.498 3.691 20 30 FHEDRO N#CCCn1cc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000278776225 938966639 /nfs/dbraw/zinc/96/66/39/938966639.db2.gz YQUJFUCQJIZIGY-FPOVZHCZSA-N 1 0 357.461 3.580 20 30 FHEDRO [NH2+]=C(NCc1ccc(F)cc1C(F)(F)F)N[C@H]1CCOc2ccccc21 ZINC000262537956 938977363 /nfs/dbraw/zinc/97/73/63/938977363.db2.gz QOICHCTXFFDECG-HNNXBMFYSA-N 1 0 367.346 3.773 20 30 FHEDRO C[C@H](NC(=[NH2+])NCc1nnc(C2CC2)s1)c1ccc(Cl)cc1Cl ZINC000263207392 938986632 /nfs/dbraw/zinc/98/66/32/938986632.db2.gz YMCVGMUBVCUWAF-QMMMGPOBSA-N 1 0 370.309 3.888 20 30 FHEDRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c(C)n1-c1ccc(C#N)cc1 ZINC000176901252 938989789 /nfs/dbraw/zinc/98/97/89/938989789.db2.gz ZNLZRTCXFQAJKP-UHFFFAOYSA-N 1 0 373.460 3.675 20 30 FHEDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000611938884 938993495 /nfs/dbraw/zinc/99/34/95/938993495.db2.gz AYKUKSYCQQVAKB-ZBFHGGJFSA-N 1 0 368.506 3.931 20 30 FHEDRO N#Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccccc12 ZINC000480578940 938996081 /nfs/dbraw/zinc/99/60/81/938996081.db2.gz IVNCPBNBMNJLOW-BGYRXZFFSA-N 1 0 354.457 3.675 20 30 FHEDRO C[N@H+](CCNC(=O)c1ccccc1Oc1ccccc1C#N)C1CCCC1 ZINC000480597945 938999300 /nfs/dbraw/zinc/99/93/00/938999300.db2.gz ZHBDZIUEGPYPSD-UHFFFAOYSA-N 1 0 363.461 3.955 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612037650 939023438 /nfs/dbraw/zinc/02/34/38/939023438.db2.gz YUVCUVDNQNBLFH-BAGYTPMASA-N 1 0 374.488 3.980 20 30 FHEDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548858931 939039626 /nfs/dbraw/zinc/03/96/26/939039626.db2.gz BDCIFAGZAQALDF-LGMDPLHJSA-N 1 0 362.433 3.950 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612108030 939064313 /nfs/dbraw/zinc/06/43/13/939064313.db2.gz LNUMYPUPUXJLDB-PGRDOPGGSA-N 1 0 368.525 3.896 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000612118557 939084992 /nfs/dbraw/zinc/08/49/92/939084992.db2.gz AVQMABUQMAMLFL-CZUORRHYSA-N 1 0 364.367 3.668 20 30 FHEDRO N#CC1(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CCCCC1 ZINC000511828142 945226120 /nfs/dbraw/zinc/22/61/20/945226120.db2.gz DBKYMWHLUJBPHF-XUVXKRRUSA-N 1 0 351.494 3.597 20 30 FHEDRO N#CCc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612131599 939118375 /nfs/dbraw/zinc/11/83/75/939118375.db2.gz FKRUJKFIRWLXRV-XPWALMASSA-N 1 0 373.500 3.783 20 30 FHEDRO N#Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612131214 939118563 /nfs/dbraw/zinc/11/85/63/939118563.db2.gz SQPVHQNYWLQFNN-GUDVDZBRSA-N 1 0 365.502 3.650 20 30 FHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056332663 939140822 /nfs/dbraw/zinc/14/08/22/939140822.db2.gz HGYFYASNOWKTGV-QGZVFWFLSA-N 1 0 363.461 3.603 20 30 FHEDRO CC1CC[NH+]([C@@H](C/N=C\c2ccc(O)c(O)c2O)c2cccs2)CC1 ZINC000255754366 939165030 /nfs/dbraw/zinc/16/50/30/939165030.db2.gz JNROYZIDHWZTEH-PFHZTYADSA-N 1 0 360.479 3.757 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000548883581 939189007 /nfs/dbraw/zinc/18/90/07/939189007.db2.gz QMAVASWPWUCGED-PMACEKPBSA-N 1 0 357.498 3.570 20 30 FHEDRO CCc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)c(C#N)c3)CCN2)cc1 ZINC000548885705 939191060 /nfs/dbraw/zinc/19/10/60/939191060.db2.gz HGNYOGBBJGNWOE-IBGZPJMESA-N 1 0 353.853 3.561 20 30 FHEDRO CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000507446147 945240594 /nfs/dbraw/zinc/24/05/94/945240594.db2.gz DLRGDZWQNOSROE-RTBURBONSA-N 1 0 363.461 3.950 20 30 FHEDRO C=CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255544 945257481 /nfs/dbraw/zinc/25/74/81/945257481.db2.gz OYCKMEMNGRNVLI-WAOWUJCRSA-N 1 0 369.513 3.807 20 30 FHEDRO C=CCOc1cccc(C[NH2+]C[C@@H](C)N2CCN(c3ccccc3)CC2)c1 ZINC000518266146 945268894 /nfs/dbraw/zinc/26/88/94/945268894.db2.gz MRHPNYFVCBNRRE-HXUWFJFHSA-N 1 0 365.521 3.552 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1Cl ZINC000584461514 939875253 /nfs/dbraw/zinc/87/52/53/939875253.db2.gz YWRHDSAJLVPQTE-INIZCTEOSA-N 1 0 351.874 3.723 20 30 FHEDRO COc1cc(C)c([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1OC ZINC000179622277 939895812 /nfs/dbraw/zinc/89/58/12/939895812.db2.gz XKMWOABVUVGECS-ZDUSSCGKSA-N 1 0 373.478 3.625 20 30 FHEDRO C=CCC[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000438976064 945282367 /nfs/dbraw/zinc/28/23/67/945282367.db2.gz HTBWYFNDHWIXHO-QGZVFWFLSA-N 1 0 365.315 3.903 20 30 FHEDRO COc1ccccc1COC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000179752251 939930678 /nfs/dbraw/zinc/93/06/78/939930678.db2.gz FYPGXRUUVMLZJN-UHFFFAOYSA-N 1 0 354.425 3.887 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000507505486 945285415 /nfs/dbraw/zinc/28/54/15/945285415.db2.gz BJZBFGLRYCKLFB-YOEHRIQHSA-N 1 0 353.853 3.777 20 30 FHEDRO N#CCSCCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375853504 939975886 /nfs/dbraw/zinc/97/58/86/939975886.db2.gz QGSXNGZPFOURKL-INIZCTEOSA-N 1 0 358.429 3.643 20 30 FHEDRO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000364850796 940012725 /nfs/dbraw/zinc/01/27/25/940012725.db2.gz VLRHTCNUOBRTTL-HXUWFJFHSA-N 1 0 357.461 3.578 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000612357732 940020710 /nfs/dbraw/zinc/02/07/10/940020710.db2.gz FVSAVUXRKAUPMG-AZUAARDMSA-N 1 0 374.916 3.812 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)C2CCCCC2)cc1 ZINC000612456396 940077814 /nfs/dbraw/zinc/07/78/14/940077814.db2.gz CKOXFINPLMISIJ-KRWDZBQOSA-N 1 0 357.498 3.890 20 30 FHEDRO C[S@@](=O)Cc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000179907080 940109056 /nfs/dbraw/zinc/10/90/56/940109056.db2.gz NQVMMPCKZHTQTN-AREMUKBSSA-N 1 0 367.518 3.513 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@@H](C)C(C)C)c1C#N ZINC000472438171 940131602 /nfs/dbraw/zinc/13/16/02/940131602.db2.gz FTNIXDDHVMIGSI-INIZCTEOSA-N 1 0 370.497 3.923 20 30 FHEDRO CCOC(=O)C1CCC([N@H+](CC)CCCOc2cccc(C#N)c2)CC1 ZINC000548938918 940138084 /nfs/dbraw/zinc/13/80/84/940138084.db2.gz OUWMMWDCOXHUNH-UHFFFAOYSA-N 1 0 358.482 3.771 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000413821152 940150474 /nfs/dbraw/zinc/15/04/74/940150474.db2.gz IKHAQDRPWCWPHB-RTWAWAEBSA-N 1 0 355.526 3.834 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000413823970 940159006 /nfs/dbraw/zinc/15/90/06/940159006.db2.gz BOWQUDAPORIERB-RTWAWAEBSA-N 1 0 355.526 3.547 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000413830788 940163572 /nfs/dbraw/zinc/16/35/72/940163572.db2.gz YHTKFZTYYQNYKQ-HXUWFJFHSA-N 1 0 355.526 3.834 20 30 FHEDRO CC[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(C#N)cc1 ZINC000376060905 940256069 /nfs/dbraw/zinc/25/60/69/940256069.db2.gz ZTPLMNZNAJBSQP-SFHVURJKSA-N 1 0 370.884 3.885 20 30 FHEDRO CCc1nn(C)c(CC)c1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000162267436 940261929 /nfs/dbraw/zinc/26/19/29/940261929.db2.gz DOZZGGMXGUYUGN-UHFFFAOYSA-N 1 0 366.509 3.896 20 30 FHEDRO CCC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C[C@@H]1CCCCO1 ZINC000570352161 940263215 /nfs/dbraw/zinc/26/32/15/940263215.db2.gz FDOLQBPVPWKPLG-NRFANRHFSA-N 1 0 371.525 3.831 20 30 FHEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000612828390 940299670 /nfs/dbraw/zinc/29/96/70/940299670.db2.gz LLEXGZVBBVIKKC-QGZVFWFLSA-N 1 0 353.491 3.611 20 30 FHEDRO N#Cc1cccc(N2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000612830663 940300280 /nfs/dbraw/zinc/30/02/80/940300280.db2.gz UANOQGBKKDVRLL-UHFFFAOYSA-N 1 0 374.410 3.727 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(-c2ccccc2)n1 ZINC000092071619 940311090 /nfs/dbraw/zinc/31/10/90/940311090.db2.gz IDSLQPDOFGQDIH-GOSISDBHSA-N 1 0 360.465 3.566 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000066178416 940326944 /nfs/dbraw/zinc/32/69/44/940326944.db2.gz GFOZXYTUFHQKRL-LJQANCHMSA-N 1 0 370.522 3.843 20 30 FHEDRO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@H](O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000177710846 940373386 /nfs/dbraw/zinc/37/33/86/940373386.db2.gz KURQHGXBVVWUCX-QHCPKHFHSA-N 1 0 373.456 3.871 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000376167282 940405235 /nfs/dbraw/zinc/40/52/35/940405235.db2.gz QJUJMAGJZKETSK-IWMITWMQSA-N 1 0 353.441 3.824 20 30 FHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000548986936 940436984 /nfs/dbraw/zinc/43/69/84/940436984.db2.gz UTAWWTLATSFKAS-KSSFIOAISA-N 1 0 354.885 3.989 20 30 FHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000580074633 940447631 /nfs/dbraw/zinc/44/76/31/940447631.db2.gz CPQDXWOGONDYEG-HOTGVXAUSA-N 1 0 366.465 3.693 20 30 FHEDRO CC1(C)CCCc2cc(C#N)c(NCC3([NH+]4CCCC4)CCOCC3)nc21 ZINC000580272724 940471575 /nfs/dbraw/zinc/47/15/75/940471575.db2.gz RNRVOYWXEGQNPZ-UHFFFAOYSA-N 1 0 368.525 3.624 20 30 FHEDRO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580293914 940472021 /nfs/dbraw/zinc/47/20/21/940472021.db2.gz JXHJPYKYMKLVNK-VQROGVPDSA-N 1 0 373.500 3.689 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000581117213 940495671 /nfs/dbraw/zinc/49/56/71/940495671.db2.gz OOLDVQOXNFHIJJ-UHFFFAOYSA-N 1 0 361.449 3.574 20 30 FHEDRO COc1ccc(C[C@@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)cc1 ZINC000581580597 940509451 /nfs/dbraw/zinc/50/94/51/940509451.db2.gz IVKRDNKVLOSQIO-FQEVSTJZSA-N 1 0 350.462 3.900 20 30 FHEDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cn1 ZINC000414107528 940588216 /nfs/dbraw/zinc/58/82/16/940588216.db2.gz YWMAPWQJDIWEIM-PBPGXSGUSA-N 1 0 365.477 3.873 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000582461557 940667351 /nfs/dbraw/zinc/66/73/51/940667351.db2.gz ZHOWARRDVOAYFI-FKBYEOEOSA-N 1 0 353.510 3.559 20 30 FHEDRO CC(C)(C)c1ccc(C#N)c(N2CC[NH+](CCc3cccs3)CC2)n1 ZINC000613415935 940686378 /nfs/dbraw/zinc/68/63/78/940686378.db2.gz ONXWRVJEUXJOOZ-UHFFFAOYSA-N 1 0 354.523 3.677 20 30 FHEDRO N#CCc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000376279245 940690859 /nfs/dbraw/zinc/69/08/59/940690859.db2.gz CLNRZFFKLNICPQ-YADHBBJMSA-N 1 0 359.473 3.632 20 30 FHEDRO CC(C)(C)c1ccc(C#N)c(N2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000613429042 940699679 /nfs/dbraw/zinc/69/96/79/940699679.db2.gz HZPVBJLPLCNIRJ-UHFFFAOYSA-N 1 0 370.541 3.580 20 30 FHEDRO Cc1csc(CCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000180162377 940722037 /nfs/dbraw/zinc/72/20/37/940722037.db2.gz QVKBVECNBOTWEX-UHFFFAOYSA-N 1 0 365.506 3.836 20 30 FHEDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCSCc1ccccc1C#N ZINC000170670676 940774042 /nfs/dbraw/zinc/77/40/42/940774042.db2.gz LETZPEDAUHJAGJ-MRXNPFEDSA-N 1 0 353.491 3.798 20 30 FHEDRO Cn1cc(C[NH2+]C[C@@H]2CCOc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000180185007 940782966 /nfs/dbraw/zinc/78/29/66/940782966.db2.gz DNPFBQQKPXCJGD-SFHVURJKSA-N 1 0 358.445 3.615 20 30 FHEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000180188745 940787265 /nfs/dbraw/zinc/78/72/65/940787265.db2.gz YIWBNUBLACSHKT-OALUTQOASA-N 1 0 352.482 3.594 20 30 FHEDRO CC(=O)N[C@@H](CC(=O)N1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000330092510 945353541 /nfs/dbraw/zinc/35/35/41/945353541.db2.gz YVEVIYBFZZNGMN-KRWDZBQOSA-N 1 0 363.527 3.633 20 30 FHEDRO N#CCSc1cccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000175570495 940886840 /nfs/dbraw/zinc/88/68/40/940886840.db2.gz LZCDKQPWLDEZKY-FQEVSTJZSA-N 1 0 365.502 3.869 20 30 FHEDRO O=C(Nc1ccc(N2CCCCC2)nc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330101962 945357656 /nfs/dbraw/zinc/35/76/56/945357656.db2.gz FTSZDHWNDVZYNB-UHFFFAOYSA-N 1 0 371.529 3.805 20 30 FHEDRO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000440252667 945360165 /nfs/dbraw/zinc/36/01/65/945360165.db2.gz FKWRLGYVTIPUJX-SFHVURJKSA-N 1 0 371.525 3.861 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000170949113 940928040 /nfs/dbraw/zinc/92/80/40/940928040.db2.gz IQLYGDYJPOCIGP-HOTGVXAUSA-N 1 0 353.293 3.864 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000414304652 940931305 /nfs/dbraw/zinc/93/13/05/940931305.db2.gz PBPQSMDTYOGMOO-QFBILLFUSA-N 1 0 358.507 3.896 20 30 FHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000376408604 940935300 /nfs/dbraw/zinc/93/53/00/940935300.db2.gz PSWQJMRPWURUEO-ZWKOTPCHSA-N 1 0 364.493 3.644 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc(SCC#N)c1 ZINC000175937466 940954562 /nfs/dbraw/zinc/95/45/62/940954562.db2.gz SRJLMPPORDWCHH-UHFFFAOYSA-N 1 0 371.481 3.645 20 30 FHEDRO COc1c(C)cc(CN(C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1C ZINC000507602317 945363879 /nfs/dbraw/zinc/36/38/79/945363879.db2.gz UDBYYVZZGCZYLZ-OAHLLOKOSA-N 1 0 369.465 3.853 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000066675966 940997676 /nfs/dbraw/zinc/99/76/76/940997676.db2.gz UHVZWNHMMBEMNO-UHFFFAOYSA-N 1 0 361.489 3.737 20 30 FHEDRO N#Cc1cccc(NC(=O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180549474 941045532 /nfs/dbraw/zinc/04/55/32/941045532.db2.gz PHIHZOJXKPNGGA-MRXNPFEDSA-N 1 0 365.330 3.919 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000186817782 941057853 /nfs/dbraw/zinc/05/78/53/941057853.db2.gz GJWUXXSPJDXIDN-QGZVFWFLSA-N 1 0 353.510 3.607 20 30 FHEDRO COc1cc(C)c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1 ZINC000540996926 941087567 /nfs/dbraw/zinc/08/75/67/941087567.db2.gz SUQPRBVCKFRSFZ-UHFFFAOYSA-N 1 0 351.450 3.622 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)s1 ZINC000176966370 941090539 /nfs/dbraw/zinc/09/05/39/941090539.db2.gz LUMWYTXFLADNBS-HXUWFJFHSA-N 1 0 361.470 3.959 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000301353694 941101352 /nfs/dbraw/zinc/10/13/52/941101352.db2.gz MDLKHWNBXVBHNU-INIZCTEOSA-N 1 0 350.422 3.567 20 30 FHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ncc(C#N)cc1Cl ZINC000181262398 941117511 /nfs/dbraw/zinc/11/75/11/941117511.db2.gz LLDAMGOFMWMKDX-UHFFFAOYSA-N 1 0 355.873 3.745 20 30 FHEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181284268 941120017 /nfs/dbraw/zinc/12/00/17/941120017.db2.gz MKSHGGPMTJEBAF-MRXNPFEDSA-N 1 0 365.433 3.635 20 30 FHEDRO N#Cc1csc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000177467738 941127269 /nfs/dbraw/zinc/12/72/69/941127269.db2.gz GVKVYBYQPKKOTP-UHFFFAOYSA-N 1 0 373.909 3.915 20 30 FHEDRO C[C@@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[NH+]1[C@H](C)CC[C@H]1C ZINC000188876350 941127606 /nfs/dbraw/zinc/12/76/06/941127606.db2.gz BTVGGNDBYPHFDD-MCIONIFRSA-N 1 0 354.479 3.882 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188992783 941140814 /nfs/dbraw/zinc/14/08/14/941140814.db2.gz OZTGILFODQIVRS-LJQANCHMSA-N 1 0 373.500 3.713 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(N3CCOC3=O)cc2)c(O)c1 ZINC000782879456 941147497 /nfs/dbraw/zinc/14/74/97/941147497.db2.gz FSPOGZFBUQDRIX-PXLXIMEGSA-N 1 0 367.449 3.814 20 30 FHEDRO CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1C ZINC001104665363 941330975 /nfs/dbraw/zinc/33/09/75/941330975.db2.gz YBQUZSXAAGYOTI-QZTJIDSGSA-N 1 0 361.530 3.754 20 30 FHEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000782965859 941349339 /nfs/dbraw/zinc/34/93/39/941349339.db2.gz AEIUYCXYOKFBDD-UHFFFAOYSA-N 1 0 356.491 3.505 20 30 FHEDRO Cc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782968065 941351765 /nfs/dbraw/zinc/35/17/65/941351765.db2.gz UFZSXCOUGACIAU-OAQYLSRUSA-N 1 0 374.400 3.901 20 30 FHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc(O)c2)ccc1Cl ZINC000181578233 941367418 /nfs/dbraw/zinc/36/74/18/941367418.db2.gz QXNOSARPOYGOEL-HNNXBMFYSA-N 1 0 371.868 3.952 20 30 FHEDRO C=CCCN(OCc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000782979053 941367959 /nfs/dbraw/zinc/36/79/59/941367959.db2.gz WSSFHQILZLJDJX-HXUWFJFHSA-N 1 0 359.514 3.684 20 30 FHEDRO Cn1cc(C[NH2+]Cc2cnccc2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000414500530 941373078 /nfs/dbraw/zinc/37/30/78/941373078.db2.gz QLBYYBIEFDGRFG-UHFFFAOYSA-N 1 0 359.477 3.941 20 30 FHEDRO C#CCC(CC#C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000376660276 941375052 /nfs/dbraw/zinc/37/50/52/941375052.db2.gz OBQAHVIPOPAGJA-QUCCMNQESA-N 1 0 356.897 3.502 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1 ZINC000414590658 941388457 /nfs/dbraw/zinc/38/84/57/941388457.db2.gz XUHWXRDUPFTUDC-NQIIRXRSSA-N 1 0 350.462 3.778 20 30 FHEDRO C=CCc1cc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)cc(OC)c1O ZINC000414593179 941389228 /nfs/dbraw/zinc/38/92/28/941389228.db2.gz QRMIOZOXKOXWBU-SFHVURJKSA-N 1 0 356.441 3.637 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(C(=O)OC)c2)ccc1OC ZINC000580245205 941422484 /nfs/dbraw/zinc/42/24/84/941422484.db2.gz DZZFWMJFQSLXRY-UHFFFAOYSA-N 1 0 355.434 3.727 20 30 FHEDRO N#Cc1ccc2ncc(C[NH+]3CCC(OCc4ccc(F)cc4)CC3)n2c1 ZINC000181532061 941437491 /nfs/dbraw/zinc/43/74/91/941437491.db2.gz YRJHLHUIRHKUPJ-UHFFFAOYSA-N 1 0 364.424 3.526 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376839937 941447482 /nfs/dbraw/zinc/44/74/82/941447482.db2.gz ASGPLEMZBMWYEK-XJKSGUPXSA-N 1 0 359.495 3.508 20 30 FHEDRO CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376844828 941448993 /nfs/dbraw/zinc/44/89/93/941448993.db2.gz UZTSTHYOVGQTNL-KBPBESRZSA-N 1 0 356.495 3.588 20 30 FHEDRO C[N@H+](C[C@H]1CC12CCN(C(=O)c1ccc(C3(C#N)CC3)cc1)CC2)C1CC1 ZINC000376879444 941457096 /nfs/dbraw/zinc/45/70/96/941457096.db2.gz FDQDLYCSOGMHOD-LJQANCHMSA-N 1 0 363.505 3.578 20 30 FHEDRO CN(C(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1C(C)(C)C#N)CC2)C1CC1 ZINC000377165790 941534281 /nfs/dbraw/zinc/53/42/81/941534281.db2.gz RMDHGPCPHRLMTB-FQEVSTJZSA-N 1 0 365.521 3.711 20 30 FHEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415006661 941538309 /nfs/dbraw/zinc/53/83/09/941538309.db2.gz KUUGCSCNSAPXMO-GJZGRUSLSA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000415007598 941538735 /nfs/dbraw/zinc/53/87/35/941538735.db2.gz LPXZASIPEVVWKB-DNVCBOLYSA-N 1 0 364.449 3.990 20 30 FHEDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415005795 941541783 /nfs/dbraw/zinc/54/17/83/941541783.db2.gz JSKNMYLGRWXMNA-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415019718 941545054 /nfs/dbraw/zinc/54/50/54/941545054.db2.gz ILULXKKTTHKDEN-KRWDZBQOSA-N 1 0 364.449 3.875 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000415028591 941552831 /nfs/dbraw/zinc/55/28/31/941552831.db2.gz ZAHOBRVQBIAQHY-KRWDZBQOSA-N 1 0 364.449 3.780 20 30 FHEDRO C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H]1C[NH3+] ZINC000415032694 941556972 /nfs/dbraw/zinc/55/69/72/941556972.db2.gz GIPRXCGORKTRHE-QRWLVFNGSA-N 1 0 364.449 3.942 20 30 FHEDRO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000549170736 941577610 /nfs/dbraw/zinc/57/76/10/941577610.db2.gz DEAIKCOPRBYSCT-JXFKEZNVSA-N 1 0 365.477 3.875 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415062695 941581009 /nfs/dbraw/zinc/58/10/09/941581009.db2.gz MTESUWDDQNWKIB-IAGOWNOFSA-N 1 0 364.449 3.908 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000415068083 941583943 /nfs/dbraw/zinc/58/39/43/941583943.db2.gz VETWQPHXWHRLLC-UHFFFAOYSA-N 1 0 350.422 3.612 20 30 FHEDRO CC(C)(C)n1ccnc1SCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330076826 941595749 /nfs/dbraw/zinc/59/57/49/941595749.db2.gz DWZIJSMXLYKMLK-UHFFFAOYSA-N 1 0 350.532 3.704 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2)c1 ZINC000415155076 941637496 /nfs/dbraw/zinc/63/74/96/941637496.db2.gz FDGNMGHCIPJJMK-NVXWUHKLSA-N 1 0 350.422 3.599 20 30 FHEDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415156323 941638243 /nfs/dbraw/zinc/63/82/43/941638243.db2.gz GEKOHBVMWMFJFB-GOSISDBHSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415167539 941648375 /nfs/dbraw/zinc/64/83/75/941648375.db2.gz TUWPYMXFUJSPKY-JZWPEALZSA-N 1 0 358.511 3.828 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000472753088 941676639 /nfs/dbraw/zinc/67/66/39/941676639.db2.gz PRBXLMIMYVOSSD-CVEARBPZSA-N 1 0 357.281 3.723 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000415223987 941686984 /nfs/dbraw/zinc/68/69/84/941686984.db2.gz AOSACIAEKWVCEX-UKRRQHHQSA-N 1 0 368.412 3.739 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H](C[NH3+])C1CC1 ZINC000415237505 941692407 /nfs/dbraw/zinc/69/24/07/941692407.db2.gz IVONSEZCOPTCSD-QGZVFWFLSA-N 1 0 368.412 3.691 20 30 FHEDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415238588 941692975 /nfs/dbraw/zinc/69/29/75/941692975.db2.gz LZRMGAGRPMYOLD-SFHVURJKSA-N 1 0 370.428 3.985 20 30 FHEDRO N#CCOc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000729267947 941705281 /nfs/dbraw/zinc/70/52/81/941705281.db2.gz BCFOEXVKLVJZND-OAQYLSRUSA-N 1 0 354.425 3.909 20 30 FHEDRO CC#CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549243040 941715353 /nfs/dbraw/zinc/71/53/53/941715353.db2.gz SPLWUISRGDMROY-ZCTYVAAUSA-N 1 0 359.901 3.576 20 30 FHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000549248051 941736330 /nfs/dbraw/zinc/73/63/30/941736330.db2.gz JQQKZISQHOEJAZ-UHFFFAOYSA-N 1 0 357.502 3.671 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000549248185 941736863 /nfs/dbraw/zinc/73/68/63/941736863.db2.gz LAORDFICPWZXHG-SFHVURJKSA-N 1 0 359.562 3.898 20 30 FHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549251810 941755633 /nfs/dbraw/zinc/75/56/33/941755633.db2.gz BUIMBNRNHYKSLL-SFHVURJKSA-N 1 0 373.570 3.675 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000513183894 941775078 /nfs/dbraw/zinc/77/50/78/941775078.db2.gz KXSAKNSGFVPUOQ-KRWDZBQOSA-N 1 0 371.828 3.764 20 30 FHEDRO C=CCc1cc(C[N@@H+]2C[C@@H](C(=O)NCCCC)CC[C@H]2C)cc(OC)c1O ZINC000511524602 941794181 /nfs/dbraw/zinc/79/41/81/941794181.db2.gz SCUNXLVUNZSFPX-APWZRJJASA-N 1 0 374.525 3.646 20 30 FHEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CCC(OC(C)(C)C)CC1 ZINC000261772303 941806472 /nfs/dbraw/zinc/80/64/72/941806472.db2.gz OFOYSMMUPGCWBR-UHFFFAOYSA-N 1 0 370.497 3.697 20 30 FHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)c1 ZINC000892973381 941827252 /nfs/dbraw/zinc/82/72/52/941827252.db2.gz QLIZZYVUKUERNR-SFHVURJKSA-N 1 0 352.434 3.752 20 30 FHEDRO COc1cc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614681 941844938 /nfs/dbraw/zinc/84/49/38/941844938.db2.gz JPLVINXYZSBIBK-QZTJIDSGSA-N 1 0 352.434 3.681 20 30 FHEDRO N#Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Oc1ccccc1 ZINC000415536949 941889115 /nfs/dbraw/zinc/88/91/15/941889115.db2.gz ODZPKSHWBFKZDK-HZPDHXFCSA-N 1 0 350.422 3.742 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[C@@H](C[NH3+])C1CC1 ZINC000415536836 941889135 /nfs/dbraw/zinc/88/91/35/941889135.db2.gz NOFKYPBWGXTLBT-SFHVURJKSA-N 1 0 350.422 3.552 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(-c2cc[nH]n2)cc1)C(C)C ZINC000607206961 941912936 /nfs/dbraw/zinc/91/29/36/941912936.db2.gz NEOSIQATGZGRGC-FQEVSTJZSA-N 1 0 367.497 3.897 20 30 FHEDRO C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460660940 941941489 /nfs/dbraw/zinc/94/14/89/941941489.db2.gz ILPDNNVHVMEDRN-SESVDKBCSA-N 1 0 355.526 3.895 20 30 FHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@H](C)C3)sc2C1 ZINC000328672506 941961245 /nfs/dbraw/zinc/96/12/45/941961245.db2.gz IFQPGKYSDUMVJE-KBPBESRZSA-N 1 0 361.511 3.691 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000728711443 941966529 /nfs/dbraw/zinc/96/65/29/941966529.db2.gz AEIPXXVAAOUFKX-UGSOOPFHSA-N 1 0 364.367 3.819 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)ccc1OC(F)F ZINC000728713298 941998790 /nfs/dbraw/zinc/99/87/90/941998790.db2.gz YYIJMYQVDMOYPA-CYBMUJFWSA-N 1 0 362.376 3.877 20 30 FHEDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000415736953 942030147 /nfs/dbraw/zinc/03/01/47/942030147.db2.gz PAGVSPCPLCOADM-HXUWFJFHSA-N 1 0 367.453 3.631 20 30 FHEDRO N#C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@]12c1ccccc1NC2=O ZINC000513589619 942030223 /nfs/dbraw/zinc/03/02/23/942030223.db2.gz YTVIOLJSYRNDLN-WZONZLPQSA-N 1 0 353.425 3.685 20 30 FHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000472888425 942040652 /nfs/dbraw/zinc/04/06/52/942040652.db2.gz ULCCOBQEWPAZSM-SFTDATJTSA-N 1 0 359.473 3.835 20 30 FHEDRO C=CCOc1ccccc1C[NH2+]C[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000513633031 942047366 /nfs/dbraw/zinc/04/73/66/942047366.db2.gz VSFIVXHOARYUGK-JOCHJYFZSA-N 1 0 366.505 3.723 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC[C@@H]1[NH3+] ZINC000415804380 942061047 /nfs/dbraw/zinc/06/10/47/942061047.db2.gz KQCNRIJAKBPKLX-KDOFPFPSSA-N 1 0 366.490 3.910 20 30 FHEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415806991 942061612 /nfs/dbraw/zinc/06/16/12/942061612.db2.gz PIZVHQHXFXAMAP-KRWDZBQOSA-N 1 0 366.490 3.925 20 30 FHEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415811853 942063970 /nfs/dbraw/zinc/06/39/70/942063970.db2.gz XYLREKKHRULGPR-HUUCEWRRSA-N 1 0 366.490 3.910 20 30 FHEDRO C[N@H+](CCNC(=O)N[C@@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000431855300 942093840 /nfs/dbraw/zinc/09/38/40/942093840.db2.gz AREWFIGPNQTAAU-NRFANRHFSA-N 1 0 364.493 3.853 20 30 FHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1nc(C(C)(C)C)ccc1C#N ZINC001167944066 942106583 /nfs/dbraw/zinc/10/65/83/942106583.db2.gz GRDQULHGFXRERI-HNNXBMFYSA-N 1 0 360.502 3.502 20 30 FHEDRO COc1cccc(C=C2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000472926018 942130822 /nfs/dbraw/zinc/13/08/22/942130822.db2.gz JMLSBJBIUOFHII-VGOFRKELSA-N 1 0 369.509 3.617 20 30 FHEDRO Cc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000280243992 942136883 /nfs/dbraw/zinc/13/68/83/942136883.db2.gz NQMYJIXGOXTEED-JOCHJYFZSA-N 1 0 360.461 3.587 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000501982540 942152280 /nfs/dbraw/zinc/15/22/80/942152280.db2.gz KXAVWGUJEZVMIU-INIZCTEOSA-N 1 0 362.464 3.955 20 30 FHEDRO C[S@](=O)C1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCC1 ZINC000280523646 942197032 /nfs/dbraw/zinc/19/70/32/942197032.db2.gz BGZLXGSCKCQSIE-SANMLTNESA-N 1 0 368.502 3.528 20 30 FHEDRO N#CCSCCC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280709194 942236807 /nfs/dbraw/zinc/23/68/07/942236807.db2.gz JDLXOXUTBJFZMH-ZDUSSCGKSA-N 1 0 352.809 3.629 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(OCC(F)F)c3)CC2)cc1 ZINC000513703470 942243856 /nfs/dbraw/zinc/24/38/56/942243856.db2.gz WFJWYALRPITQHT-UHFFFAOYSA-N 1 0 371.431 3.961 20 30 FHEDRO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000420923842 942256698 /nfs/dbraw/zinc/25/66/98/942256698.db2.gz IOSRVIMZWLSVIT-IAGOWNOFSA-N 1 0 350.503 3.529 20 30 FHEDRO CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000237011453 942271491 /nfs/dbraw/zinc/27/14/91/942271491.db2.gz ZBOANCUNKDFIKQ-GOSISDBHSA-N 1 0 353.441 3.855 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000047827165 942289571 /nfs/dbraw/zinc/28/95/71/942289571.db2.gz WTAVTEZGHFXICU-OAHLLOKOSA-N 1 0 366.461 3.996 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)ccc1OC ZINC000414488137 942298206 /nfs/dbraw/zinc/29/82/06/942298206.db2.gz QLQWFNDIRWFVIZ-WOJBJXKFSA-N 1 0 353.462 3.958 20 30 FHEDRO C[C@H](C[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501080887 942299643 /nfs/dbraw/zinc/29/96/43/942299643.db2.gz ZDDCJFKYVYUTQN-OAHLLOKOSA-N 1 0 374.410 3.898 20 30 FHEDRO N#CCCOCC[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421044290 942314633 /nfs/dbraw/zinc/31/46/33/942314633.db2.gz SLHSEGVSEOEOSA-QGZVFWFLSA-N 1 0 351.288 3.776 20 30 FHEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(NCc2cccc3ccccc32)=[NH+]C)C1 ZINC000261834598 942328718 /nfs/dbraw/zinc/32/87/18/942328718.db2.gz VQPXIIUIQCOIST-UDCNLSRBSA-N 1 0 371.550 3.585 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000416102298 942348265 /nfs/dbraw/zinc/34/82/65/942348265.db2.gz ODLCSKHROOXZCT-FCHUYYIVSA-N 1 0 359.473 3.716 20 30 FHEDRO CCC[NH+](CCC)CCCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502317282 942349330 /nfs/dbraw/zinc/34/93/30/942349330.db2.gz BTFFVERDKKAZDE-UHFFFAOYSA-N 1 0 368.525 3.869 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(CC#N)cc1)Cc1ccccc1 ZINC000501254161 942365379 /nfs/dbraw/zinc/36/53/79/942365379.db2.gz QLCXOFDJJWDERH-NRFANRHFSA-N 1 0 364.493 3.827 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000501253398 942365935 /nfs/dbraw/zinc/36/59/35/942365935.db2.gz LWQWFZJHZIRXIP-HXUWFJFHSA-N 1 0 350.466 3.633 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000513712267 942415154 /nfs/dbraw/zinc/41/51/54/942415154.db2.gz BIGPMLGGWFDOGZ-UHFFFAOYSA-N 1 0 358.445 3.787 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000366842642 942434206 /nfs/dbraw/zinc/43/42/06/942434206.db2.gz MZGDZQMLOSSTPK-GOSISDBHSA-N 1 0 353.491 3.746 20 30 FHEDRO N#CC1(c2ccc(Br)cc2)CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001207468023 942465011 /nfs/dbraw/zinc/46/50/11/942465011.db2.gz XMHQMZNGFGGEAN-HNNXBMFYSA-N 1 0 363.299 3.733 20 30 FHEDRO C[C@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)[NH+]1CCCCCC1 ZINC000505337312 942476473 /nfs/dbraw/zinc/47/64/73/942476473.db2.gz GWKPSYBDMBFULX-DOMZBBRYSA-N 1 0 354.281 3.939 20 30 FHEDRO Cn1c(CN2CC=C(c3ccc(C#N)cc3)CC2)nnc1-c1ccccc1 ZINC000502495793 942490338 /nfs/dbraw/zinc/49/03/38/942490338.db2.gz PUFCWLAOEDLPEI-UHFFFAOYSA-N 1 0 355.445 3.643 20 30 FHEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c(OC[C@H]2CCOC2)c1 ZINC000421338889 942494167 /nfs/dbraw/zinc/49/41/67/942494167.db2.gz DZLGKXNGLPDQFO-KRWDZBQOSA-N 1 0 354.425 3.711 20 30 FHEDRO N#Cc1ccccc1OCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501501937 942512970 /nfs/dbraw/zinc/51/29/70/942512970.db2.gz LYELCQXKSRZQFV-MRXNPFEDSA-N 1 0 373.250 3.813 20 30 FHEDRO N#Cc1ccc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)cc1F ZINC000421376691 942526543 /nfs/dbraw/zinc/52/65/43/942526543.db2.gz FHKQTCYSRIHSFN-UHFFFAOYSA-N 1 0 355.379 3.592 20 30 FHEDRO COc1cc(C[N@@H+]2CCOC[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000513978249 942639084 /nfs/dbraw/zinc/63/90/84/942639084.db2.gz IEAFDQFAHZBDTL-KRWDZBQOSA-N 1 0 366.461 3.614 20 30 FHEDRO C=CCCO[C@H](C)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000501764227 942666232 /nfs/dbraw/zinc/66/62/32/942666232.db2.gz TXMLGPGXMJPNQE-YLJYHZDGSA-N 1 0 358.526 3.557 20 30 FHEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000545960903 942707946 /nfs/dbraw/zinc/70/79/46/942707946.db2.gz USHBLNXZISYPKN-AAEUAGOBSA-N 1 0 357.294 3.585 20 30 FHEDRO CC(C)[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(Cl)cc1F ZINC000566243243 942742355 /nfs/dbraw/zinc/74/23/55/942742355.db2.gz RFGWXTXQKPARRW-QGZVFWFLSA-N 1 0 357.820 3.880 20 30 FHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(F)cc(F)c1OC)C2 ZINC001143559939 942751535 /nfs/dbraw/zinc/75/15/35/942751535.db2.gz BLVJTNWGWFIIII-QUCCMNQESA-N 1 0 367.436 3.547 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@@H](c2cccs2)N2CCCC2)O1 ZINC000378447421 942778650 /nfs/dbraw/zinc/77/86/50/942778650.db2.gz AKAXSNDTDRTLLU-QQXKLLMISA-N 1 0 359.539 3.714 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)O1 ZINC000378451132 942783718 /nfs/dbraw/zinc/78/37/18/942783718.db2.gz DDZDQAUNCCSHLF-DZVNLGKHSA-N 1 0 369.292 3.856 20 30 FHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1F ZINC000378459651 942792172 /nfs/dbraw/zinc/79/21/72/942792172.db2.gz GOOJQYSDCWZLFX-SZNDQCEHSA-N 1 0 364.424 3.576 20 30 FHEDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)cc1 ZINC000378466116 942795867 /nfs/dbraw/zinc/79/58/67/942795867.db2.gz ZFXCDCJXGQCWHW-HAGHYFMRSA-N 1 0 355.482 3.755 20 30 FHEDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000434619108 942806271 /nfs/dbraw/zinc/80/62/71/942806271.db2.gz CBSAHFVSYDDHNN-NRFANRHFSA-N 1 0 353.441 3.643 20 30 FHEDRO C[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000378477686 942811723 /nfs/dbraw/zinc/81/17/23/942811723.db2.gz RMTZKMGRSBALFV-LJQANCHMSA-N 1 0 361.489 3.855 20 30 FHEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccs1 ZINC000378477329 942812753 /nfs/dbraw/zinc/81/27/53/942812753.db2.gz XLOPZIAKQRXHRM-QFBILLFUSA-N 1 0 365.502 3.726 20 30 FHEDRO CCCCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001269831569 942839326 /nfs/dbraw/zinc/83/93/26/942839326.db2.gz DGWKYOGWKUFEJJ-UHFFFAOYSA-N 1 0 360.546 3.975 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000425124620 942842537 /nfs/dbraw/zinc/84/25/37/942842537.db2.gz FRVVOFIWFQPDHD-GOSISDBHSA-N 1 0 361.489 3.990 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)cc1 ZINC000378552218 942882516 /nfs/dbraw/zinc/88/25/16/942882516.db2.gz PYMRAWYQTFPJJU-KUHUBIRLSA-N 1 0 361.424 3.621 20 30 FHEDRO C=CCn1c(SCC[N@@H+](C)Cc2ccccc2)nc2ccccc2c1=O ZINC000430120844 942917895 /nfs/dbraw/zinc/91/78/95/942917895.db2.gz KRZFLHQWOOPVFB-UHFFFAOYSA-N 1 0 365.502 3.807 20 30 FHEDRO COc1ccc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1OCCCC#N ZINC000430120696 942927874 /nfs/dbraw/zinc/92/78/74/942927874.db2.gz FRVNRGWAYZOLPA-WSTZPKSXSA-N 1 0 371.525 3.540 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 ZINC000509962563 942976138 /nfs/dbraw/zinc/97/61/38/942976138.db2.gz FRGXQZABXOZEDB-OAQYLSRUSA-N 1 0 364.489 3.575 20 30 FHEDRO C[C@@H]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000434848285 943004442 /nfs/dbraw/zinc/00/44/42/943004442.db2.gz JDQPXRQQNWMQAI-LJQANCHMSA-N 1 0 373.500 3.713 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc2c(c1)CCCC2 ZINC000434861600 943014178 /nfs/dbraw/zinc/01/41/78/943014178.db2.gz ARUKIAGEQHMORQ-KUHUBIRLSA-N 1 0 365.502 3.955 20 30 FHEDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000434868854 943019102 /nfs/dbraw/zinc/01/91/02/943019102.db2.gz KYKLJRPSYMGFRS-RDTXWAMCSA-N 1 0 369.490 3.863 20 30 FHEDRO COC(=O)[C@@H](NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(C#N)c1 ZINC000434881206 943026386 /nfs/dbraw/zinc/02/63/86/943026386.db2.gz SVWFTQHWPIIKIU-FQEVSTJZSA-N 1 0 369.509 3.551 20 30 FHEDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C2CC2)cc1 ZINC000505570563 943048748 /nfs/dbraw/zinc/04/87/48/943048748.db2.gz MEZRHESEUFWAOH-MRXNPFEDSA-N 1 0 363.461 3.806 20 30 FHEDRO C[N@H+](CCCNC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000514508470 943070782 /nfs/dbraw/zinc/07/07/82/943070782.db2.gz LUZSGTVZOUUNCO-UHFFFAOYSA-N 1 0 356.857 3.855 20 30 FHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000505589721 943103698 /nfs/dbraw/zinc/10/36/98/943103698.db2.gz APBBGEBTOPEUBR-IIBYNOLFSA-N 1 0 368.477 3.681 20 30 FHEDRO CC(C)c1ccc(CN(C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000513786389 943112089 /nfs/dbraw/zinc/11/20/89/943112089.db2.gz FXOXXERDTWCKRS-UHFFFAOYSA-N 1 0 356.491 3.587 20 30 FHEDRO N#Cc1ccc(Oc2ccc(Br)c(CN3CC[NH2+]CC3)c2)cc1 ZINC001204637951 943169654 /nfs/dbraw/zinc/16/96/54/943169654.db2.gz OSNQDGJVIKBEIJ-UHFFFAOYSA-N 1 0 372.266 3.518 20 30 FHEDRO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1OCc1cccnc1 ZINC000272523050 943171435 /nfs/dbraw/zinc/17/14/35/943171435.db2.gz LRYPZZDEBWHPCU-UHFFFAOYSA-N 1 0 351.450 3.795 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1nc2ccccc2s1)C(C)C ZINC000503432697 943180776 /nfs/dbraw/zinc/18/07/76/943180776.db2.gz NUPSNXKEQWQCGI-KRWDZBQOSA-N 1 0 372.538 3.794 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]1c1cccn1C)C(C)C ZINC000503435869 943183436 /nfs/dbraw/zinc/18/34/36/943183436.db2.gz INHRFKOQGCAVOJ-VQTJNVASSA-N 1 0 358.530 3.570 20 30 FHEDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000503457431 943191905 /nfs/dbraw/zinc/19/19/05/943191905.db2.gz FKVHBDFSQPFBAJ-FHLIZLRMSA-N 1 0 363.502 3.725 20 30 FHEDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000503467964 943203002 /nfs/dbraw/zinc/20/30/02/943203002.db2.gz VMVJFOBYWLAXPU-PKOBYXMFSA-N 1 0 359.539 3.814 20 30 FHEDRO C=C(C)[C@H](CC(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@@H+]1CC)OCC ZINC000503497308 943220067 /nfs/dbraw/zinc/22/00/67/943220067.db2.gz PXXJUCLRXXHAOE-CTNGQTDRSA-N 1 0 374.525 3.576 20 30 FHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000514693882 943226432 /nfs/dbraw/zinc/22/64/32/943226432.db2.gz RXOWHINCJJTEAD-UHFFFAOYSA-N 1 0 364.424 3.736 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000236688171 943234036 /nfs/dbraw/zinc/23/40/36/943234036.db2.gz BWXNLBTWTZQCAT-SFHVURJKSA-N 1 0 354.519 3.762 20 30 FHEDRO C=CCN(CCCN1CCCC1=O)Cc1cc(Br)ccc1F ZINC000514748028 943263742 /nfs/dbraw/zinc/26/37/42/943263742.db2.gz WUIMSTMKNFUHBH-UHFFFAOYSA-N 1 0 369.278 3.589 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@H](CO)c2ccccc2Cl)c1 ZINC000514753888 943267884 /nfs/dbraw/zinc/26/78/84/943267884.db2.gz VSLJUHWGUDZDLC-QGZVFWFLSA-N 1 0 358.869 3.888 20 30 FHEDRO C[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000431917972 943311233 /nfs/dbraw/zinc/31/12/33/943311233.db2.gz CHBWKEALRMQVCB-GGPKGHCWSA-N 1 0 356.514 3.841 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000505660692 943323375 /nfs/dbraw/zinc/32/33/75/943323375.db2.gz MNCVKZRMSWAPTQ-HOTGVXAUSA-N 1 0 358.486 3.587 20 30 FHEDRO C[NH+](C)CCN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC1 ZINC000505661770 943325217 /nfs/dbraw/zinc/32/52/17/943325217.db2.gz NYJHZOPGHDHMTM-UHFFFAOYSA-N 1 0 367.424 3.656 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000664333944 943357310 /nfs/dbraw/zinc/35/73/10/943357310.db2.gz TUVOIMVJEMTIDK-SFHVURJKSA-N 1 0 356.514 3.649 20 30 FHEDRO CC[N@H+](C)[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000503899160 943398407 /nfs/dbraw/zinc/39/84/07/943398407.db2.gz WWDSHWANTTXCFM-QFIPXVFZSA-N 1 0 359.473 3.867 20 30 FHEDRO C=CCOc1ccc(CN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423105514 943401018 /nfs/dbraw/zinc/40/10/18/943401018.db2.gz NREQQFBGTRQUMZ-FCHUYYIVSA-N 1 0 352.478 3.843 20 30 FHEDRO CC[NH+](CC)[C@H](C(=O)N(C)C[C@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC000073031281 943408992 /nfs/dbraw/zinc/40/89/92/943408992.db2.gz BNSCIAGKBQNFQL-CJNGLKHVSA-N 1 0 355.404 3.706 20 30 FHEDRO CC(C)CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(C#N)cc1 ZINC000566437199 943413005 /nfs/dbraw/zinc/41/30/05/943413005.db2.gz XMPXKEUQWAQNOW-HXUWFJFHSA-N 1 0 371.550 3.765 20 30 FHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000435474121 943434250 /nfs/dbraw/zinc/43/42/50/943434250.db2.gz UMDGEVCWTHULJB-QGZVFWFLSA-N 1 0 361.489 3.835 20 30 FHEDRO Cc1cc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)ncc1C#N ZINC000417271028 943478197 /nfs/dbraw/zinc/47/81/97/943478197.db2.gz RWMYBAJVGWFJFJ-UHFFFAOYSA-N 1 0 359.433 3.965 20 30 FHEDRO CC(C)[N@H+](C)CC1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000558085856 943482622 /nfs/dbraw/zinc/48/26/22/943482622.db2.gz XKUPIQCTAOHLML-UHFFFAOYSA-N 1 0 364.331 3.873 20 30 FHEDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)CCO2 ZINC000187544856 943509078 /nfs/dbraw/zinc/50/90/78/943509078.db2.gz WTYPYAIHLWBSJQ-MGPUTAFESA-N 1 0 352.434 3.990 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000425396067 943524056 /nfs/dbraw/zinc/52/40/56/943524056.db2.gz JKATZZHKDXHDOS-KRWDZBQOSA-N 1 0 356.514 3.915 20 30 FHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(C#N)c2)C1 ZINC000435644513 943525550 /nfs/dbraw/zinc/52/55/50/943525550.db2.gz IEEDKIKPQSDMHS-UHFFFAOYSA-N 1 0 372.472 3.918 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000417355337 943536698 /nfs/dbraw/zinc/53/66/98/943536698.db2.gz ATSDXJLVJZMWJM-GBESFXJTSA-N 1 0 365.437 3.814 20 30 FHEDRO CSc1c(F)cccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000435682397 943543617 /nfs/dbraw/zinc/54/36/17/943543617.db2.gz NCNKTCUIEXMGIR-UHFFFAOYSA-N 1 0 371.481 3.623 20 30 FHEDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417374279 943544227 /nfs/dbraw/zinc/54/42/27/943544227.db2.gz XWWHJCHRFJIKLH-FOIQADDNSA-N 1 0 364.445 3.838 20 30 FHEDRO C=CCC(F)(F)C(=O)N1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001270000450 943548207 /nfs/dbraw/zinc/54/82/07/943548207.db2.gz DCRJMSHKHFUZFP-HNNXBMFYSA-N 1 0 368.390 3.855 20 30 FHEDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417383179 943560887 /nfs/dbraw/zinc/56/08/87/943560887.db2.gz JXPBGMQSENYVAD-VFNWGFHPSA-N 1 0 363.461 3.951 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1Cl ZINC000435749559 943583936 /nfs/dbraw/zinc/58/39/36/943583936.db2.gz UMYYWWLFPZSODL-SJORKVTESA-N 1 0 362.901 3.786 20 30 FHEDRO CN(CCOCc1ccc(C#N)cc1)Cc1cc2c(cc1Cl)OCCO2 ZINC000515249985 943584538 /nfs/dbraw/zinc/58/45/38/943584538.db2.gz NWUCWNAZTGNWKZ-UHFFFAOYSA-N 1 0 372.852 3.631 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000435738400 943590710 /nfs/dbraw/zinc/59/07/10/943590710.db2.gz AFQUVFMVLCYLFM-UGKGYDQZSA-N 1 0 368.477 3.740 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435740997 943591283 /nfs/dbraw/zinc/59/12/83/943591283.db2.gz MYRZAUOVUJQWSG-QAPCUYQASA-N 1 0 365.399 3.962 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCSc2ccc(OC)cc2)CC1 ZINC000473558871 943599310 /nfs/dbraw/zinc/59/93/10/943599310.db2.gz BJYAIHVOWGJFDZ-UHFFFAOYSA-N 1 0 362.539 3.724 20 30 FHEDRO CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]([NH3+])CCCC#N)n2)cc1 ZINC000424100191 943717947 /nfs/dbraw/zinc/71/79/47/943717947.db2.gz NHKQWKKFDDXTHO-MRXNPFEDSA-N 1 0 356.495 3.968 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000424087723 943724493 /nfs/dbraw/zinc/72/44/93/943724493.db2.gz FKJLRGFMRPRXMV-ZWKOTPCHSA-N 1 0 359.832 3.706 20 30 FHEDRO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000424094945 943729723 /nfs/dbraw/zinc/72/97/23/943729723.db2.gz MNMXGTRPYFROOH-KSSFIOAISA-N 1 0 355.413 3.816 20 30 FHEDRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424096479 943730072 /nfs/dbraw/zinc/73/00/72/943730072.db2.gz XZBWMYMBNYZTEL-QGZVFWFLSA-N 1 0 365.437 3.599 20 30 FHEDRO CC(C)C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424110974 943736898 /nfs/dbraw/zinc/73/68/98/943736898.db2.gz DZIDCVHNEWFSAM-HZPDHXFCSA-N 1 0 355.404 3.930 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424121432 943742262 /nfs/dbraw/zinc/74/22/62/943742262.db2.gz GAJSBOTVKIHOKL-XJKSGUPXSA-N 1 0 356.495 3.625 20 30 FHEDRO Cc1cccc(C)c1OC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424125101 943744344 /nfs/dbraw/zinc/74/43/44/943744344.db2.gz QFWJHLMKKCNXQA-WOJBJXKFSA-N 1 0 365.477 3.561 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000424126516 943744877 /nfs/dbraw/zinc/74/48/77/943744877.db2.gz PEBRGWJXAUCHMW-MSOLQXFVSA-N 1 0 359.832 3.706 20 30 FHEDRO CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)Cc1ccc(Cl)cc1Cl ZINC000424135209 943747395 /nfs/dbraw/zinc/74/73/95/943747395.db2.gz JCIFEQPNLHANBT-RHSMWYFYSA-N 1 0 370.324 3.945 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000424137080 943748486 /nfs/dbraw/zinc/74/84/86/943748486.db2.gz LKNCTCBKSCXXKY-KRWDZBQOSA-N 1 0 367.415 3.998 20 30 FHEDRO COc1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C1CCCCC1)C2 ZINC000424134477 943759607 /nfs/dbraw/zinc/75/96/07/943759607.db2.gz KOISNXAFNCPDQS-SFTDATJTSA-N 1 0 369.509 3.550 20 30 FHEDRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1=O ZINC000516860874 943775067 /nfs/dbraw/zinc/77/50/67/943775067.db2.gz WQUYJOVOZTUGHN-JLTOFOAXSA-N 1 0 369.415 3.678 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000424192196 943779368 /nfs/dbraw/zinc/77/93/68/943779368.db2.gz IQYAIAMLRPKYNU-GXTWGEPZSA-N 1 0 365.271 3.804 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000515315459 943796899 /nfs/dbraw/zinc/79/68/99/943796899.db2.gz BGXXNOYJHGGTTL-UHFFFAOYSA-N 1 0 352.397 3.803 20 30 FHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(C#N)c(C)c3)CCN2C2CC2)c1 ZINC000549476628 943817826 /nfs/dbraw/zinc/81/78/26/943817826.db2.gz FZAAWKFILGDAEJ-XZOQPEGZSA-N 1 0 361.489 3.943 20 30 FHEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(I)c2)C1 ZINC000424295686 943823921 /nfs/dbraw/zinc/82/39/21/943823921.db2.gz QBPTWPDDFJTCLA-TVQRCGJNSA-N 1 0 360.626 3.726 20 30 FHEDRO C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424320228 943842870 /nfs/dbraw/zinc/84/28/70/943842870.db2.gz FVFVYQCYOJMYHI-IVMMDQJWSA-N 1 0 368.262 3.894 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000425425163 943874695 /nfs/dbraw/zinc/87/46/95/943874695.db2.gz OIMYIGVGZDUBGF-KURKYZTESA-N 1 0 356.514 3.629 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000515454625 943892476 /nfs/dbraw/zinc/89/24/76/943892476.db2.gz WOEOZTAOEAGXSP-NRFANRHFSA-N 1 0 351.494 3.557 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000425435501 943915413 /nfs/dbraw/zinc/91/54/13/943915413.db2.gz SVHBTTHYPGDIPI-KRWDZBQOSA-N 1 0 368.525 3.915 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573146 943929114 /nfs/dbraw/zinc/92/91/14/943929114.db2.gz ZCIIUEGBZCRIJL-RDJZCZTQSA-N 1 0 354.416 3.741 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000436002610 943935663 /nfs/dbraw/zinc/93/56/63/943935663.db2.gz PZRNKNDUBVWNOS-NWDGAFQWSA-N 1 0 359.333 3.974 20 30 FHEDRO N#CCCn1cc(C[NH2+]CCOc2ccccc2F)c(-c2ccccc2)n1 ZINC000500010571 943938521 /nfs/dbraw/zinc/93/85/21/943938521.db2.gz QPJVYWHLEOETFF-UHFFFAOYSA-N 1 0 364.424 3.771 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000437609579 943966649 /nfs/dbraw/zinc/96/66/49/943966649.db2.gz XGAGQHCGVLKXHF-XMSQKQJNSA-N 1 0 358.526 3.764 20 30 FHEDRO C=CCC[C@H](NC(=O)NC1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000417934871 943976227 /nfs/dbraw/zinc/97/62/27/943976227.db2.gz QBADUSNOWRUYOR-INIZCTEOSA-N 1 0 355.404 3.764 20 30 FHEDRO C=CCC1(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)CCOCC1 ZINC000424581305 943978595 /nfs/dbraw/zinc/97/85/95/943978595.db2.gz FODPJEFGCHWGNU-KRWDZBQOSA-N 1 0 350.528 3.620 20 30 FHEDRO C=CCC1(C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000424572735 943989500 /nfs/dbraw/zinc/98/95/00/943989500.db2.gz HYRJCNHJQXNXFQ-NRFANRHFSA-N 1 0 370.537 3.558 20 30 FHEDRO C=CCC[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000417945564 943990780 /nfs/dbraw/zinc/99/07/80/943990780.db2.gz XVYFIPPLQQLLDB-CVEARBPZSA-N 1 0 355.404 3.749 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C[NH3+])cc1Cl ZINC000414910184 943993822 /nfs/dbraw/zinc/99/38/22/943993822.db2.gz RWQBJAKMGVMMFQ-SJLPKXTDSA-N 1 0 368.868 3.950 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000436087122 944003894 /nfs/dbraw/zinc/00/38/94/944003894.db2.gz JJDONXRZXSYVRX-UHFFFAOYSA-N 1 0 351.450 3.622 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000437637297 944004388 /nfs/dbraw/zinc/00/43/88/944004388.db2.gz CVXZNEBKWIZZJK-QHCPKHFHSA-N 1 0 366.505 3.713 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425464851 944015371 /nfs/dbraw/zinc/01/53/71/944015371.db2.gz AFIUOHHEQLGTJV-FXAWDEMLSA-N 1 0 356.514 3.771 20 30 FHEDRO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CCOCC1 ZINC000424625602 944018627 /nfs/dbraw/zinc/01/86/27/944018627.db2.gz KZEYQMKJBAFJNY-UHFFFAOYSA-N 1 0 374.550 3.855 20 30 FHEDRO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000418003980 944057091 /nfs/dbraw/zinc/05/70/91/944057091.db2.gz ZGGIICAFRWTASB-HRAATJIYSA-N 1 0 362.477 3.680 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000133757283 944060235 /nfs/dbraw/zinc/06/02/35/944060235.db2.gz RDKZAFUTMIDLKA-UHFFFAOYSA-N 1 0 374.847 3.946 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)c(F)c1 ZINC000418036476 944083674 /nfs/dbraw/zinc/08/36/74/944083674.db2.gz WBWRJQRTCGGJBG-RTBURBONSA-N 1 0 363.452 3.756 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)c(F)c1 ZINC000418038161 944086374 /nfs/dbraw/zinc/08/63/74/944086374.db2.gz YEJSWBMIESSMOF-MDZRGWNJSA-N 1 0 363.452 3.613 20 30 FHEDRO CC(C)c1ccc(C[NH+]2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cc1 ZINC000506127104 944103797 /nfs/dbraw/zinc/10/37/97/944103797.db2.gz XLJKJFVPTLOPFJ-UHFFFAOYSA-N 1 0 373.504 3.647 20 30 FHEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3Cc3cc(F)ccc3F)n2c1 ZINC000418103749 944160803 /nfs/dbraw/zinc/16/08/03/944160803.db2.gz WHOJKACQKHVFPW-KRWDZBQOSA-N 1 0 352.388 3.691 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000517306043 944198845 /nfs/dbraw/zinc/19/88/45/944198845.db2.gz ALQBENVXNIFIIE-UHFFFAOYSA-N 1 0 358.848 3.773 20 30 FHEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000517371361 944252020 /nfs/dbraw/zinc/25/20/20/944252020.db2.gz UGTFNQZSRLADRS-INIZCTEOSA-N 1 0 367.424 3.704 20 30 FHEDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cc1 ZINC000500203008 944260433 /nfs/dbraw/zinc/26/04/33/944260433.db2.gz PTQMFHTVWITRPE-GOSISDBHSA-N 1 0 353.491 3.964 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000425533092 944262127 /nfs/dbraw/zinc/26/21/27/944262127.db2.gz KFSPSHQZVQPQCB-WMZHIEFXSA-N 1 0 363.505 3.842 20 30 FHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(F)cc(F)c1OC)CC2 ZINC001143561232 944276631 /nfs/dbraw/zinc/27/66/31/944276631.db2.gz SUCJHKXASQEMJS-HXUWFJFHSA-N 1 0 364.436 3.507 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000660360624 944279711 /nfs/dbraw/zinc/27/97/11/944279711.db2.gz AMQUCUQWRCIRCW-BGYRXZFFSA-N 1 0 357.473 3.683 20 30 FHEDRO CC[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[NH+](C)C ZINC000162609923 944293046 /nfs/dbraw/zinc/29/30/46/944293046.db2.gz PCLILSDFBLFPIT-SFHVURJKSA-N 1 0 355.413 3.555 20 30 FHEDRO Cc1ccc(C[C@@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000500254642 944336872 /nfs/dbraw/zinc/33/68/72/944336872.db2.gz RTUDZYCTCRZETJ-FQEVSTJZSA-N 1 0 353.510 3.687 20 30 FHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000505831216 944346866 /nfs/dbraw/zinc/34/68/66/944346866.db2.gz LPZOGISMPCYBTH-SFHVURJKSA-N 1 0 371.525 3.515 20 30 FHEDRO CCCN(CC[NH+](C)C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000123714440 944413966 /nfs/dbraw/zinc/41/39/66/944413966.db2.gz UVVNHRVMLPSEQC-UHFFFAOYSA-N 1 0 365.477 3.551 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Oc3ccccc3)ccc2O)CC1 ZINC000436559408 944426468 /nfs/dbraw/zinc/42/64/68/944426468.db2.gz VTBBQTSQYXZYPN-UHFFFAOYSA-N 1 0 352.434 3.565 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(C#N)cs2)c2ccccc2)CC1 ZINC000438254846 944450462 /nfs/dbraw/zinc/45/04/62/944450462.db2.gz GABVRRYCNLUTQE-SFHVURJKSA-N 1 0 353.491 3.823 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001126465632 944453124 /nfs/dbraw/zinc/45/31/24/944453124.db2.gz BEFJVCWKMREPAM-GOSISDBHSA-N 1 0 350.422 3.557 20 30 FHEDRO CC(C)[NH+](CCN(C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000505851046 944454091 /nfs/dbraw/zinc/45/40/91/944454091.db2.gz KLEKIXQDUSWFQS-OAHLLOKOSA-N 1 0 364.921 3.589 20 30 FHEDRO C[C@@H](OC[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000046836066 944456003 /nfs/dbraw/zinc/45/60/03/944456003.db2.gz NQNWGHYGFVRXOW-FOIQADDNSA-N 1 0 358.869 3.782 20 30 FHEDRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000516102249 944484150 /nfs/dbraw/zinc/48/41/50/944484150.db2.gz ZEZXALDQHBAYDZ-FXAWDEMLSA-N 1 0 368.477 3.630 20 30 FHEDRO C=CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H](C)COC ZINC000664841604 944492563 /nfs/dbraw/zinc/49/25/63/944492563.db2.gz RNEJSUFZVVNIBQ-UYAOXDASSA-N 1 0 373.541 3.520 20 30 FHEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(C[NH2+]CC)c1)c1ccccc1 ZINC000414992134 944503500 /nfs/dbraw/zinc/50/35/00/944503500.db2.gz RGYLODDJJGFKOG-HXUWFJFHSA-N 1 0 365.477 3.558 20 30 FHEDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000053644136 944505052 /nfs/dbraw/zinc/50/50/52/944505052.db2.gz MHZRDBFYRGWOEM-UYAOXDASSA-N 1 0 356.441 3.814 20 30 FHEDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000053644134 944505943 /nfs/dbraw/zinc/50/59/43/944505943.db2.gz MHZRDBFYRGWOEM-AZUAARDMSA-N 1 0 356.441 3.814 20 30 FHEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000550226739 944510836 /nfs/dbraw/zinc/51/08/36/944510836.db2.gz VESDPZPWZYHJSV-OAHLLOKOSA-N 1 0 350.397 3.613 20 30 FHEDRO Cc1ccc2cc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2n1 ZINC000437794572 944512623 /nfs/dbraw/zinc/51/26/23/944512623.db2.gz DFPBQDPYVKAKFK-JOCHJYFZSA-N 1 0 370.456 3.700 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439300343 944516972 /nfs/dbraw/zinc/51/69/72/944516972.db2.gz VAQIQALWXMKTGR-UHFFFAOYSA-N 1 0 373.522 3.586 20 30 FHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000516158624 944544432 /nfs/dbraw/zinc/54/44/32/944544432.db2.gz AJCSNNDMFAGSID-NRFANRHFSA-N 1 0 369.534 3.956 20 30 FHEDRO CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000516160493 944545834 /nfs/dbraw/zinc/54/58/34/944545834.db2.gz SQCFBEQTFWLIPL-OXQOHEQNSA-N 1 0 371.550 3.685 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2COC3(CCCCCC3)O2)cc1Cl ZINC000262054331 944588003 /nfs/dbraw/zinc/58/80/03/944588003.db2.gz ARMYZOCANPQRMI-AWEZNQCLSA-N 1 0 367.877 3.541 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000759861142 944599826 /nfs/dbraw/zinc/59/98/26/944599826.db2.gz FUUHBFJIFVMCPR-FQEVSTJZSA-N 1 0 374.843 3.928 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2ccccc2C(C)(C)C)CC1 ZINC000518709036 944636832 /nfs/dbraw/zinc/63/68/32/944636832.db2.gz GQBVCMXBPQRQHP-UHFFFAOYSA-N 1 0 373.541 3.703 20 30 FHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccccc1 ZINC000517803969 944650664 /nfs/dbraw/zinc/65/06/64/944650664.db2.gz VARLNTUJZKQHBJ-IAGOWNOFSA-N 1 0 365.477 3.571 20 30 FHEDRO CSCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000439486942 944688721 /nfs/dbraw/zinc/68/87/21/944688721.db2.gz YZSZLEUKZTWNMH-ZDUSSCGKSA-N 1 0 365.568 3.758 20 30 FHEDRO CSCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000439486941 944688956 /nfs/dbraw/zinc/68/89/56/944688956.db2.gz YZSZLEUKZTWNMH-CYBMUJFWSA-N 1 0 365.568 3.758 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccnc1 ZINC000181644478 944690319 /nfs/dbraw/zinc/69/03/19/944690319.db2.gz VGIYUQGEMMALSG-HUUCEWRRSA-N 1 0 354.479 3.623 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl ZINC000426729877 944737686 /nfs/dbraw/zinc/73/76/86/944737686.db2.gz HOFHLYFTNQFUDU-DOMZBBRYSA-N 1 0 365.260 3.956 20 30 FHEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(I)cc2Cl)C1 ZINC000500394110 944739540 /nfs/dbraw/zinc/73/95/40/944739540.db2.gz LDIVCQIUDQOEGM-JOYOIKCWSA-N 1 0 360.626 3.726 20 30 FHEDRO CCN(Cc1cnc2ccc(C#N)cn12)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000511661375 944743784 /nfs/dbraw/zinc/74/37/84/944743784.db2.gz CHPKZLMBPGGRAP-NQIIRXRSSA-N 1 0 373.504 3.863 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COc2ccccc2C#N)cc1 ZINC000053720529 944746698 /nfs/dbraw/zinc/74/66/98/944746698.db2.gz LSIHVZNJNMEGQT-KRWDZBQOSA-N 1 0 363.461 3.950 20 30 FHEDRO Cc1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)ccc1C#N ZINC000511553778 944775186 /nfs/dbraw/zinc/77/51/86/944775186.db2.gz KEAYBBVKZANVHU-GOSISDBHSA-N 1 0 359.267 3.627 20 30 FHEDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000516402946 944823345 /nfs/dbraw/zinc/82/33/45/944823345.db2.gz POQCTXWNFSKGLQ-UHFFFAOYSA-N 1 0 358.485 3.691 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)cc1 ZINC000506634805 944828178 /nfs/dbraw/zinc/82/81/78/944828178.db2.gz UBVSNYZPIZAJGK-UHFFFAOYSA-N 1 0 365.473 3.958 20 30 FHEDRO C=CCOc1ccc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1OC ZINC000518864944 944862290 /nfs/dbraw/zinc/86/22/90/944862290.db2.gz GAJBOVJMFHRJKA-SCTDSRPQSA-N 1 0 372.509 3.737 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000162786245 944876324 /nfs/dbraw/zinc/87/63/24/944876324.db2.gz DSNNHDYDBPBGNJ-SFHVURJKSA-N 1 0 360.461 3.747 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425666571 944883434 /nfs/dbraw/zinc/88/34/34/944883434.db2.gz YGAAQAVMZBWAGI-QFBILLFUSA-N 1 0 368.481 3.937 20 30 FHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438649122 944892345 /nfs/dbraw/zinc/89/23/45/944892345.db2.gz SLMAVZCEGFOTQI-UHFFFAOYSA-N 1 0 368.403 3.821 20 30 FHEDRO C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)[NH+]1CCCCCC1 ZINC000505923061 944916682 /nfs/dbraw/zinc/91/66/82/944916682.db2.gz PJIQYLJXWIZIMB-MLGOLLRUSA-N 1 0 354.281 3.939 20 30 FHEDRO CC[C@@](C)(C#N)C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505924024 944920047 /nfs/dbraw/zinc/92/00/47/944920047.db2.gz ZUHWCRUFZRIMIA-SFHVURJKSA-N 1 0 367.415 3.680 20 30 FHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@H]32)c1C#N ZINC000426482334 944929168 /nfs/dbraw/zinc/92/91/68/944929168.db2.gz KTHCDRWJCUTHBO-VQIMIIECSA-N 1 0 354.498 3.905 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000511714948 944958831 /nfs/dbraw/zinc/95/88/31/944958831.db2.gz XEIJOLFDQYRLBH-KRWDZBQOSA-N 1 0 359.901 3.986 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NCC[N@H+]3CC=CCC3)c2)cc1 ZINC000432065095 944972660 /nfs/dbraw/zinc/97/26/60/944972660.db2.gz VTQZXNXAAXGKQT-UHFFFAOYSA-N 1 0 362.433 3.734 20 30 FHEDRO CC(C)n1ccc(C[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)n1 ZINC000437077077 944993296 /nfs/dbraw/zinc/99/32/96/944993296.db2.gz WRFUAAXCTJDESY-PPDQVPDSSA-N 1 0 367.497 3.641 20 30 FHEDRO CCc1cccnc1[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437083293 945000604 /nfs/dbraw/zinc/00/06/04/945000604.db2.gz PHKKIIMKHGBIKO-VNCLNFNDSA-N 1 0 350.466 3.951 20 30 FHEDRO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000473593833 945000773 /nfs/dbraw/zinc/00/07/73/945000773.db2.gz SABSGYFBCSNDOV-WMZOPIPTSA-N 1 0 354.416 3.998 20 30 FHEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507199048 945025063 /nfs/dbraw/zinc/02/50/63/945025063.db2.gz DOASEDLEDVPYML-CTNGQTDRSA-N 1 0 370.537 3.634 20 30 FHEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000516570845 945043163 /nfs/dbraw/zinc/04/31/63/945043163.db2.gz HKHUWHZEXGRLNP-LBPRGKRZSA-N 1 0 359.355 3.813 20 30 FHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000426162403 945054256 /nfs/dbraw/zinc/05/42/56/945054256.db2.gz PNMVLZJCHQJLIU-CQSZACIVSA-N 1 0 368.868 3.780 20 30 FHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cccc(-n3cccn3)c2C#N)CC1 ZINC000578906683 945058025 /nfs/dbraw/zinc/05/80/25/945058025.db2.gz RBGQPRPSASLXKC-KRWDZBQOSA-N 1 0 372.476 3.776 20 30 FHEDRO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000330168293 945385796 /nfs/dbraw/zinc/38/57/96/945385796.db2.gz WHWBPOQDADRFOO-UPTPFMHGSA-N 1 0 373.545 3.718 20 30 FHEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)NCc1ccccc1 ZINC000507631505 945393221 /nfs/dbraw/zinc/39/32/21/945393221.db2.gz ZLXPQJQCHPKCHS-RHKCVOJBSA-N 1 0 361.489 3.685 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC(=O)N2CCCCCC2)CC1 ZINC000507634980 945396164 /nfs/dbraw/zinc/39/61/64/945396164.db2.gz KOMGEINKGMHKNX-UHFFFAOYSA-N 1 0 353.510 3.773 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000440326975 945406505 /nfs/dbraw/zinc/40/65/05/945406505.db2.gz IDRQZTXZOWVQFI-MJGOQNOKSA-N 1 0 372.534 3.929 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000507654282 945407001 /nfs/dbraw/zinc/40/70/01/945407001.db2.gz SNPNVLWCXQGKEG-FUHYEJFZSA-N 1 0 368.452 3.559 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000330245341 945421625 /nfs/dbraw/zinc/42/16/25/945421625.db2.gz KRCZRVZKCAEHMX-GDBMZVCRSA-N 1 0 365.543 3.772 20 30 FHEDRO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330263851 945432445 /nfs/dbraw/zinc/43/24/45/945432445.db2.gz XCGVTLNWIHSXLP-NVXWUHKLSA-N 1 0 353.466 3.960 20 30 FHEDRO O=C(NC[C@@H]1CCC(F)(F)C1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000330267137 945433793 /nfs/dbraw/zinc/43/37/93/945433793.db2.gz HYOMBZWOYYAHTF-CQSZACIVSA-N 1 0 366.456 3.748 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc2n(n1)CCCO2 ZINC000330288862 945446733 /nfs/dbraw/zinc/44/67/33/945446733.db2.gz DIKKXHLOBNFFNP-MRXNPFEDSA-N 1 0 368.481 3.545 20 30 FHEDRO C[C@]1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCC[NH2+]C1 ZINC000415012287 945475855 /nfs/dbraw/zinc/47/58/55/945475855.db2.gz SDVWQZGEBMWICC-NRFANRHFSA-N 1 0 364.449 3.862 20 30 FHEDRO N#Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1Cl ZINC000519492369 945482460 /nfs/dbraw/zinc/48/24/60/945482460.db2.gz GLQGQFYPYBORCM-IRXDYDNUSA-N 1 0 352.869 3.565 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000660936798 945588220 /nfs/dbraw/zinc/58/82/20/945588220.db2.gz CHLXNKNLLHLZHJ-ZWKOTPCHSA-N 1 0 356.514 3.605 20 30 FHEDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000519632652 945603297 /nfs/dbraw/zinc/60/32/97/945603297.db2.gz ZWNNZUVUKYTITK-SFHVURJKSA-N 1 0 350.422 3.613 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000281371785 945617386 /nfs/dbraw/zinc/61/73/86/945617386.db2.gz TXUUXKUABVTMLB-HOTGVXAUSA-N 1 0 365.477 3.688 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661003385 945642378 /nfs/dbraw/zinc/64/23/78/945642378.db2.gz LFEZZTJZIGOLNE-WLRLJWMZSA-N 1 0 353.510 3.790 20 30 FHEDRO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509841 945659461 /nfs/dbraw/zinc/65/94/61/945659461.db2.gz YRWIWXQOOXLRAU-FPOVZHCZSA-N 1 0 355.526 3.587 20 30 FHEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)C1 ZINC000651698480 945719260 /nfs/dbraw/zinc/71/92/60/945719260.db2.gz SAROSYBNSWSULK-PXNSSMCTSA-N 1 0 356.510 3.563 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000661115808 945738282 /nfs/dbraw/zinc/73/82/82/945738282.db2.gz FDSGCRKSZNAWRK-GOEBONIOSA-N 1 0 362.495 3.846 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000661115493 945739387 /nfs/dbraw/zinc/73/93/87/945739387.db2.gz CYMGIQWYGMYMCN-XLIONFOSSA-N 1 0 371.525 3.832 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000661115561 945739664 /nfs/dbraw/zinc/73/96/64/945739664.db2.gz DIQRQEKEKSYWNE-WMZOPIPTSA-N 1 0 367.497 3.752 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000661116964 945747940 /nfs/dbraw/zinc/74/79/40/945747940.db2.gz AJCIYAROYJCRBD-PXNSSMCTSA-N 1 0 371.525 3.832 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000661116374 945749023 /nfs/dbraw/zinc/74/90/23/945749023.db2.gz JIQSEXPKWUVFCZ-RHSMWYFYSA-N 1 0 357.454 3.978 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000661117382 945750072 /nfs/dbraw/zinc/75/00/72/945750072.db2.gz QMAGWPRGNRHRBH-DZGCQCFKSA-N 1 0 357.454 3.577 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000281704732 945817866 /nfs/dbraw/zinc/81/78/66/945817866.db2.gz SYMVFNBMPWFLCK-CYBMUJFWSA-N 1 0 365.355 3.776 20 30 FHEDRO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519850045 945818446 /nfs/dbraw/zinc/81/84/46/945818446.db2.gz LJPPLSJNIRFKFO-QUCCMNQESA-N 1 0 373.859 3.894 20 30 FHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000519854564 945822815 /nfs/dbraw/zinc/82/28/15/945822815.db2.gz YLUUPFHKPKHKKW-SFHVURJKSA-N 1 0 364.449 3.949 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000044802706 945823348 /nfs/dbraw/zinc/82/33/48/945823348.db2.gz JTEVCLOJTZKNRA-QWHCGFSZSA-N 1 0 359.376 3.837 20 30 FHEDRO C#C[C@H]([NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(C)(C)C ZINC000894517327 945872322 /nfs/dbraw/zinc/87/23/22/945872322.db2.gz IIVOSHSTTYUERY-IRXDYDNUSA-N 1 0 364.530 3.573 20 30 FHEDRO C#C[C@@H]([NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(C)(C)C ZINC000894517325 945873426 /nfs/dbraw/zinc/87/34/26/945873426.db2.gz IIVOSHSTTYUERY-DLBZAZTESA-N 1 0 364.530 3.573 20 30 FHEDRO CC(C)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000519908957 945877560 /nfs/dbraw/zinc/87/75/60/945877560.db2.gz ZLIMDOPTOAYSFB-UHFFFAOYSA-N 1 0 374.488 3.963 20 30 FHEDRO N#Cc1ccc(C(=O)N2CCC[C@]3(CCC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC001271561876 945881739 /nfs/dbraw/zinc/88/17/39/945881739.db2.gz KEVKQXFHCROQNX-QFIPXVFZSA-N 1 0 351.494 3.819 20 30 FHEDRO CC1(C)CN(CC#CCN2CC(C)(C)[C@@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825025 945883669 /nfs/dbraw/zinc/88/36/69/945883669.db2.gz ZNYUMDJZACLYTN-VXKWHMMOSA-N 1 0 374.532 3.946 20 30 FHEDRO Cn1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC000186437699 945912936 /nfs/dbraw/zinc/91/29/36/945912936.db2.gz DDGGEFRABLMFHN-QHCPKHFHSA-N 1 0 370.456 3.590 20 30 FHEDRO N#CC1(CCC[NH+]2CCC(N3CCc4ccccc43)CC2)CCOCC1 ZINC000281965315 945999565 /nfs/dbraw/zinc/99/95/65/945999565.db2.gz GLYKXPFFLMIRNF-UHFFFAOYSA-N 1 0 353.510 3.614 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000519989067 946001291 /nfs/dbraw/zinc/00/12/91/946001291.db2.gz ZJZDZYKLEHGXRF-UHFFFAOYSA-N 1 0 364.449 3.958 20 30 FHEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)C1 ZINC000661382180 946049058 /nfs/dbraw/zinc/04/90/58/946049058.db2.gz UBFIICRIABJQPY-MJGOQNOKSA-N 1 0 372.509 3.655 20 30 FHEDRO CCC[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729484145 946062088 /nfs/dbraw/zinc/06/20/88/946062088.db2.gz PXRYLTUXEQVDPP-QGZVFWFLSA-N 1 0 361.461 3.919 20 30 FHEDRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC001126577598 946069276 /nfs/dbraw/zinc/06/92/76/946069276.db2.gz SHOJOSUJWYSFLM-JOCHJYFZSA-N 1 0 361.489 3.591 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)CCC[NH2+]1 ZINC000662825893 946076623 /nfs/dbraw/zinc/07/66/23/946076623.db2.gz NSPWCFLZKMGSEI-OXJNMPFZSA-N 1 0 362.901 3.656 20 30 FHEDRO CCc1ccc(C(=O)C(C(=S)NCCCSC)[n+]2ccccc2)cc1 ZINC000027481352 946078118 /nfs/dbraw/zinc/07/81/18/946078118.db2.gz RIASNSKVSGJXHH-UHFFFAOYSA-O 1 0 373.567 3.818 20 30 FHEDRO [NH2+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)Nc1cccc(OC(F)(F)F)c1 ZINC000262412463 946114710 /nfs/dbraw/zinc/11/47/10/946114710.db2.gz XXJMVMAKGADENE-BBWFWOEESA-N 1 0 361.367 3.898 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCC1CCC(C#N)CC1)c1ccsc1 ZINC000441012849 946115057 /nfs/dbraw/zinc/11/50/57/946115057.db2.gz SNAPBEXMTZYKGQ-HTWSVDAQSA-N 1 0 362.543 3.760 20 30 FHEDRO N#Cc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccn1 ZINC000522966497 946173451 /nfs/dbraw/zinc/17/34/51/946173451.db2.gz KUUUXSMRSCYLBZ-UHFFFAOYSA-N 1 0 354.457 3.865 20 30 FHEDRO CC[NH+](CC)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000101520038 946189149 /nfs/dbraw/zinc/18/91/49/946189149.db2.gz WVPUMHPFSOTSIS-UHFFFAOYSA-N 1 0 353.422 3.639 20 30 FHEDRO C=C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000662866036 946205022 /nfs/dbraw/zinc/20/50/22/946205022.db2.gz AOMGXLSQFIRBSU-YWMUFLPLSA-N 1 0 370.443 3.886 20 30 FHEDRO CC(C)C[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000520172444 946228171 /nfs/dbraw/zinc/22/81/71/946228171.db2.gz IJNMRGHALMDNSH-IBGZPJMESA-N 1 0 356.441 3.595 20 30 FHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508481926 946268681 /nfs/dbraw/zinc/26/86/81/946268681.db2.gz VAIATZQQVCMKSG-SFHVURJKSA-N 1 0 368.529 3.552 20 30 FHEDRO C=CC[C@@]1(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)CCC[NH2+]1 ZINC000662889825 946286636 /nfs/dbraw/zinc/28/66/36/946286636.db2.gz NTLWZIFSRTYRNR-ZDUSSCGKSA-N 1 0 360.342 3.855 20 30 FHEDRO COc1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000520259070 946310954 /nfs/dbraw/zinc/31/09/54/946310954.db2.gz SWJNMOUJRIKFEZ-OAHLLOKOSA-N 1 0 353.466 3.715 20 30 FHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000520258247 946311634 /nfs/dbraw/zinc/31/16/34/946311634.db2.gz HNMXIJTYIZFIKX-UYAOXDASSA-N 1 0 371.573 3.898 20 30 FHEDRO C[NH+]=C(NCC1(SC)CCOCC1)N(C)Cc1ccc2ccccc2c1 ZINC000262422057 946313560 /nfs/dbraw/zinc/31/35/60/946313560.db2.gz RBBHZLAVLSEMSD-UHFFFAOYSA-N 1 0 371.550 3.759 20 30 FHEDRO C[C@H]1[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520274165 946329664 /nfs/dbraw/zinc/32/96/64/946329664.db2.gz AFZFMIZFZOKLCW-UWJYYQICSA-N 1 0 361.489 3.881 20 30 FHEDRO N#CCCn1cc(CN2CCn3nc(C4CC4)cc3C2)c(-c2ccccc2)n1 ZINC000896939513 946335466 /nfs/dbraw/zinc/33/54/66/946335466.db2.gz IOBVYHJEBWXKDN-UHFFFAOYSA-N 1 0 372.476 3.553 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC000093366632 946352052 /nfs/dbraw/zinc/35/20/52/946352052.db2.gz DZPLNLYQCTWQQM-UHFFFAOYSA-N 1 0 360.457 3.572 20 30 FHEDRO C=CCN(CC=C)C(=O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000441303406 946397857 /nfs/dbraw/zinc/39/78/57/946397857.db2.gz DGBHOFQMCIGKHG-UHFFFAOYSA-N 1 0 361.489 3.914 20 30 FHEDRO C[NH+](C)CCOc1ccccc1-c1noc(/C=C\c2cccc(C#N)c2)n1 ZINC000545689104 946406469 /nfs/dbraw/zinc/40/64/69/946406469.db2.gz HWTJBPSSCDDHSW-KHPPLWFESA-N 1 0 360.417 3.719 20 30 FHEDRO COc1cccc(NC(=[NH2+])NCC2(c3ccccc3Cl)CCOCC2)c1 ZINC000262513227 946420418 /nfs/dbraw/zinc/42/04/18/946420418.db2.gz FDDSTWDADDWELP-UHFFFAOYSA-N 1 0 373.884 3.824 20 30 FHEDRO COc1ccc(C[NH2+]CC2CCC(C#N)CC2)c(Br)c1O ZINC000441360906 946486181 /nfs/dbraw/zinc/48/61/81/946486181.db2.gz SIKIMVDCSAIPNN-UHFFFAOYSA-N 1 0 353.260 3.583 20 30 FHEDRO Cc1ccc(C(C)(C)C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000441348516 946501865 /nfs/dbraw/zinc/50/18/65/946501865.db2.gz QTZCNJSVTVDREV-UHFFFAOYSA-N 1 0 355.526 3.889 20 30 FHEDRO Cc1nccn1CCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905371 946506357 /nfs/dbraw/zinc/50/63/57/946506357.db2.gz JQTIWTANOKFFJX-UHFFFAOYSA-N 1 0 360.461 3.822 20 30 FHEDRO CCN(CCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000475151968 946508669 /nfs/dbraw/zinc/50/86/69/946508669.db2.gz UGYDKQBWYYAINM-UHFFFAOYSA-N 1 0 351.416 3.922 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc2cnccc21 ZINC000823914631 946516045 /nfs/dbraw/zinc/51/60/45/946516045.db2.gz KDZZOFUIEQQCCT-UHFFFAOYSA-N 1 0 356.433 3.603 20 30 FHEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475513687 946530965 /nfs/dbraw/zinc/53/09/65/946530965.db2.gz MCBDZTXEJJJRFB-UHFFSCBYSA-N 1 0 373.500 3.911 20 30 FHEDRO N#Cc1cccc(-c2nnc(C[N@@H+](CCc3ccc(F)cc3)C3CC3)o2)c1 ZINC000441404364 946582295 /nfs/dbraw/zinc/58/22/95/946582295.db2.gz NDHGYGYKDBDRJX-UHFFFAOYSA-N 1 0 362.408 3.954 20 30 FHEDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)NC(C)(C)C ZINC000066905483 946588588 /nfs/dbraw/zinc/58/85/88/946588588.db2.gz ASACNTXMUZCRLV-INIZCTEOSA-N 1 0 365.477 3.530 20 30 FHEDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905366 946589464 /nfs/dbraw/zinc/58/94/64/946589464.db2.gz WMWHOVANOXAHKP-KRWDZBQOSA-N 1 0 365.477 3.532 20 30 FHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000262520371 946601962 /nfs/dbraw/zinc/60/19/62/946601962.db2.gz NSMDLIMKAWSMHX-OAHLLOKOSA-N 1 0 365.355 3.513 20 30 FHEDRO C=C(C)C[N@@H+](CC)Cc1ccc(Br)cc1N1CCOCC1 ZINC000475548665 946618249 /nfs/dbraw/zinc/61/82/49/946618249.db2.gz NEENVZHDEZJRGC-UHFFFAOYSA-N 1 0 353.304 3.684 20 30 FHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508492287 946665969 /nfs/dbraw/zinc/66/59/69/946665969.db2.gz IZHVHIWVRSSYED-IBGZPJMESA-N 1 0 359.562 3.755 20 30 FHEDRO [NH2+]=C(NCc1ccccc1OC1CCC1)N[C@@H]1CCOc2ccccc21 ZINC000262458556 946667184 /nfs/dbraw/zinc/66/71/84/946667184.db2.gz XCNIXRTVTVPTBD-GOSISDBHSA-N 1 0 351.450 3.546 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)o2)CC1 ZINC000456789086 946678308 /nfs/dbraw/zinc/67/83/08/946678308.db2.gz IWTSKBTYUHUWCD-UHFFFAOYSA-N 1 0 359.813 3.530 20 30 FHEDRO C=CCn1c(-c2sccc2C)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508492581 946700396 /nfs/dbraw/zinc/70/03/96/946700396.db2.gz JYPLJPCVZRGZCM-UHFFFAOYSA-N 1 0 371.554 3.813 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncc(Br)cc1O ZINC000894963976 946705826 /nfs/dbraw/zinc/70/58/26/946705826.db2.gz IGJATCVQZLUDIJ-HNNXBMFYSA-N 1 0 358.239 3.589 20 30 FHEDRO C[C@@H]([C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCCCC1 ZINC000475207494 946721596 /nfs/dbraw/zinc/72/15/96/946721596.db2.gz PCRAVJFOIGLHBC-FIKGOQFSSA-N 1 0 353.510 3.854 20 30 FHEDRO CC(C)[N@H+](C)CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000101954333 946751069 /nfs/dbraw/zinc/75/10/69/946751069.db2.gz SGGRUXRQRMIJKI-UHFFFAOYSA-N 1 0 367.518 3.921 20 30 FHEDRO C=CCC1([NH2+]Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CCCC1 ZINC000661851190 946758450 /nfs/dbraw/zinc/75/84/50/946758450.db2.gz NKWUUXGCSUGMOB-UHFFFAOYSA-N 1 0 373.453 3.741 20 30 FHEDRO C=CCC1([NH2+]Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CCCC1 ZINC000661852354 946760155 /nfs/dbraw/zinc/76/01/55/946760155.db2.gz SBISNCSRDYGNSD-UHFFFAOYSA-N 1 0 360.479 3.724 20 30 FHEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)CCCC1 ZINC000661862239 946779078 /nfs/dbraw/zinc/77/90/78/946779078.db2.gz FUWQHHOZDJIZPZ-UHFFFAOYSA-N 1 0 357.498 3.586 20 30 FHEDRO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccc(F)cc1F ZINC000262535315 946796955 /nfs/dbraw/zinc/79/69/55/946796955.db2.gz PLAHIDBLMLLSCK-LBPRGKRZSA-N 1 0 361.392 3.656 20 30 FHEDRO [NH2+]=C(NCCc1cccs1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000305729670 946863516 /nfs/dbraw/zinc/86/35/16/946863516.db2.gz TUOUDCWCGMCVNF-UHFFFAOYSA-N 1 0 351.878 3.719 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824613632 946865416 /nfs/dbraw/zinc/86/54/16/946865416.db2.gz WEINXOCOJJHRAB-AWEZNQCLSA-N 1 0 370.416 3.849 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(Oc3ccncc3)c2)CC1 ZINC000112636562 946916699 /nfs/dbraw/zinc/91/66/99/946916699.db2.gz YFUNXIKRIJTHNG-UHFFFAOYSA-N 1 0 351.450 3.644 20 30 FHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508473911 946924839 /nfs/dbraw/zinc/92/48/39/946924839.db2.gz QYNWUFNOROYSLB-HXUWFJFHSA-N 1 0 371.573 3.899 20 30 FHEDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)c2ccc(F)cc2C1 ZINC000184513494 946925213 /nfs/dbraw/zinc/92/52/13/946925213.db2.gz PUJQNUJIBPXVPA-SPLOXXLWSA-N 1 0 351.425 3.841 20 30 FHEDRO O=C(CN1CCC[C@H](c2ncc3n2CCCC3)C1)Nc1ccc(F)c(F)c1 ZINC000328647073 946964016 /nfs/dbraw/zinc/96/40/16/946964016.db2.gz HGKAJDOSZYBREC-AWEZNQCLSA-N 1 0 374.435 3.965 20 30 FHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000909604796 946966129 /nfs/dbraw/zinc/96/61/29/946966129.db2.gz APGYZRNGEBNDNY-UHFFFAOYSA-N 1 0 351.450 3.724 20 30 FHEDRO O=C(Nc1ccc(OCC(F)(F)F)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328659151 946969451 /nfs/dbraw/zinc/96/94/51/946969451.db2.gz SEVOLKXGYPWANU-CABCVRRESA-N 1 0 357.376 3.580 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCc3occc32)C1 ZINC000328661768 946970998 /nfs/dbraw/zinc/97/09/98/946970998.db2.gz ALAIQYKFJTXOGJ-AYBZRNKSSA-N 1 0 353.466 3.996 20 30 FHEDRO C=CC[N@H+](Cc1ccc2ccccc2n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000523021282 946976527 /nfs/dbraw/zinc/97/65/27/946976527.db2.gz ZSEIKJFJHSGWDS-QGZVFWFLSA-N 1 0 370.460 3.960 20 30 FHEDRO Cc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cnn1-c1cc(C)ccc1C ZINC000328603408 946978811 /nfs/dbraw/zinc/97/88/11/946978811.db2.gz HSNYYBKNZCXHFA-IEBWSBKVSA-N 1 0 367.497 3.750 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800486 947006915 /nfs/dbraw/zinc/00/69/15/947006915.db2.gz JPOSOWAUVWYHOD-IBGZPJMESA-N 1 0 351.475 3.677 20 30 FHEDRO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444591598 947016566 /nfs/dbraw/zinc/01/65/66/947016566.db2.gz BTJGXTTURDGYRC-UHFFFAOYSA-N 1 0 370.541 3.580 20 30 FHEDRO C=CC[N@@H+](CCCCC(C)(C)C#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000444609949 947034883 /nfs/dbraw/zinc/03/48/83/947034883.db2.gz NSJXZBXODGRPIL-QGZVFWFLSA-N 1 0 352.486 3.931 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000432274495 947036487 /nfs/dbraw/zinc/03/64/87/947036487.db2.gz KYOFTVVPUKMRHC-UHFFFAOYSA-N 1 0 372.538 3.740 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000328826186 947041938 /nfs/dbraw/zinc/04/19/38/947041938.db2.gz QFMATXKGRDHHCZ-SPUZQDLCSA-N 1 0 374.481 3.655 20 30 FHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(OC4CCCC4)nc3)C2)CC1 ZINC000328778505 947043188 /nfs/dbraw/zinc/04/31/88/947043188.db2.gz DNCYUEUGCNASFY-QGZVFWFLSA-N 1 0 372.513 3.612 20 30 FHEDRO O=C(NCCc1cccc2[nH]ccc21)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000328779517 947043487 /nfs/dbraw/zinc/04/34/87/947043487.db2.gz GTDSMLOZUGKJAC-GOSISDBHSA-N 1 0 354.498 3.575 20 30 FHEDRO O=C(NCCc1cccc2[nH]ccc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000328788691 947047019 /nfs/dbraw/zinc/04/70/19/947047019.db2.gz KIMDFSYBTOSXCZ-UHFFFAOYSA-N 1 0 354.498 3.575 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000328790663 947048119 /nfs/dbraw/zinc/04/81/19/947048119.db2.gz QJZXHPKHFGDLFE-RHSMWYFYSA-N 1 0 363.889 3.666 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000328797300 947050149 /nfs/dbraw/zinc/05/01/49/947050149.db2.gz VOYCVNZJRXZZSG-NVXWUHKLSA-N 1 0 361.461 3.542 20 30 FHEDRO C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)Oc1ccccc1Cl ZINC000262488743 947052001 /nfs/dbraw/zinc/05/20/01/947052001.db2.gz UCZWFEUILBERJT-XJKSGUPXSA-N 1 0 359.857 3.535 20 30 FHEDRO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328838120 947058473 /nfs/dbraw/zinc/05/84/73/947058473.db2.gz NHUUIULXRXEQSQ-NVXWUHKLSA-N 1 0 353.466 3.960 20 30 FHEDRO Cc1nc([C@H]2CCCOC2)sc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000328849888 947064361 /nfs/dbraw/zinc/06/43/61/947064361.db2.gz UHHZCTVIJKUEBT-HNSVSWJLSA-N 1 0 363.527 3.665 20 30 FHEDRO Cn1c2ccc(C(=O)NC3CC([NH+]4CCCCC4)C3)cc2nc1C(F)F ZINC000328848897 947064848 /nfs/dbraw/zinc/06/48/48/947064848.db2.gz WBQQMQKUUPHNPH-UHFFFAOYSA-N 1 0 362.424 3.832 20 30 FHEDRO C=CC[C@@H]1N(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCCC1(C)C ZINC000444634464 947065712 /nfs/dbraw/zinc/06/57/12/947065712.db2.gz HRAPAWTWVJBSJK-NRFANRHFSA-N 1 0 369.553 3.641 20 30 FHEDRO C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000328855717 947067743 /nfs/dbraw/zinc/06/77/43/947067743.db2.gz CTJIWOVKBATSKJ-SJLPKXTDSA-N 1 0 359.514 3.742 20 30 FHEDRO Cc1cnn(CC[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000328867048 947073356 /nfs/dbraw/zinc/07/33/56/947073356.db2.gz CBOHEPIRWWNFPK-KRWDZBQOSA-N 1 0 370.501 3.572 20 30 FHEDRO Cc1ccc2c(CCNC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)c[nH]c2c1 ZINC000328881703 947081071 /nfs/dbraw/zinc/08/10/71/947081071.db2.gz WQAJRGOVSJGYJR-LJQANCHMSA-N 1 0 368.525 3.597 20 30 FHEDRO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598608609 947087134 /nfs/dbraw/zinc/08/71/34/947087134.db2.gz NMIDWMZYHZDAQE-YLJYHZDGSA-N 1 0 362.477 3.553 20 30 FHEDRO C=CCCCN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662039485 947109490 /nfs/dbraw/zinc/10/94/90/947109490.db2.gz DYYSXHFCUBQRRX-FQEVSTJZSA-N 1 0 355.526 3.896 20 30 FHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444711012 947138036 /nfs/dbraw/zinc/13/80/36/947138036.db2.gz WJBVFVFRAQRDHK-GWUWNPHMSA-N 1 0 359.436 3.580 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C/C=C\c3ccc(F)c(F)c3)C2=O)cc1 ZINC000511955572 947140197 /nfs/dbraw/zinc/14/01/97/947140197.db2.gz PGAABJSMRHTLBA-WPGQCCQLSA-N 1 0 367.399 3.635 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000444745893 947182567 /nfs/dbraw/zinc/18/25/67/947182567.db2.gz UAXMZZNRLXTJNF-GDZNZVCISA-N 1 0 366.303 3.543 20 30 FHEDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330549099 947205388 /nfs/dbraw/zinc/20/53/88/947205388.db2.gz RBWWCVGSXCGRBO-LBPRGKRZSA-N 1 0 360.424 3.693 20 30 FHEDRO CC(C)[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1CCC1 ZINC000444772093 947206633 /nfs/dbraw/zinc/20/66/33/947206633.db2.gz SZBYNJMWIRJNGA-UHFFFAOYSA-N 1 0 366.427 3.684 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330531014 947211723 /nfs/dbraw/zinc/21/17/23/947211723.db2.gz GODAACMHTJXFMV-GFCCVEGCSA-N 1 0 360.424 3.836 20 30 FHEDRO CCN(C)C(=O)c1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000330606664 947214885 /nfs/dbraw/zinc/21/48/85/947214885.db2.gz OEUHDFQZJVLXFS-INIZCTEOSA-N 1 0 359.514 3.594 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000662080879 947215171 /nfs/dbraw/zinc/21/51/71/947215171.db2.gz NDJJUXFWEROXGZ-FUHIMQAGSA-N 1 0 370.493 3.550 20 30 FHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000245848133 947224049 /nfs/dbraw/zinc/22/40/49/947224049.db2.gz LTHQTKQCIZGYQZ-WIYYLYMNSA-N 1 0 364.493 3.851 20 30 FHEDRO COc1ccc(C2([NH2+]CC#Cc3ccc(F)cc3)CCOCC2)cc1F ZINC000444811716 947246339 /nfs/dbraw/zinc/24/63/39/947246339.db2.gz KPJCBCWHDFWJPR-UHFFFAOYSA-N 1 0 357.400 3.620 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000330798945 947276661 /nfs/dbraw/zinc/27/66/61/947276661.db2.gz IBWYURVHZWUREC-BCYZHJNNSA-N 1 0 367.578 3.528 20 30 FHEDRO CC(=O)c1ccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1Cl ZINC000330825541 947280297 /nfs/dbraw/zinc/28/02/97/947280297.db2.gz FJACFTLZGJKXGB-GFCCVEGCSA-N 1 0 351.878 3.750 20 30 FHEDRO CC(=O)c1ccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1Cl ZINC000330825544 947282393 /nfs/dbraw/zinc/28/23/93/947282393.db2.gz FJACFTLZGJKXGB-LBPRGKRZSA-N 1 0 351.878 3.750 20 30 FHEDRO C=CCNC(=O)c1ccc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)nc1 ZINC000301323910 947285533 /nfs/dbraw/zinc/28/55/33/947285533.db2.gz WXEFSWDHNGJRET-QGZVFWFLSA-N 1 0 364.493 3.635 20 30 FHEDRO CC(C)COc1ncc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1Cl ZINC000330839326 947294196 /nfs/dbraw/zinc/29/41/96/947294196.db2.gz XLASYVXPZZQCSC-UHFFFAOYSA-N 1 0 353.894 3.806 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330977344 947324922 /nfs/dbraw/zinc/32/49/22/947324922.db2.gz FOIHNRBUPGYHIO-WCQYABFASA-N 1 0 350.532 3.592 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301394880 947324962 /nfs/dbraw/zinc/32/49/62/947324962.db2.gz KYSFLEVUQPUHMS-UHFFFAOYSA-N 1 0 354.248 3.810 20 30 FHEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000599354650 947326254 /nfs/dbraw/zinc/32/62/54/947326254.db2.gz YSNBQOABZDYZTC-FCLVOEFKSA-N 1 0 362.901 3.698 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(NC(C)=O)cc2Cl)[C@@H](C)C1 ZINC000331065525 947337551 /nfs/dbraw/zinc/33/75/51/947337551.db2.gz PLHLDJJOYREHHO-SJCJKPOMSA-N 1 0 366.893 3.506 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Cl)c(OC)cc2OC)C[C@@H]1C ZINC000331135792 947354553 /nfs/dbraw/zinc/35/45/53/947354553.db2.gz CSHGHOBYHZKBNJ-QWHCGFSZSA-N 1 0 369.893 3.707 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)ccc2OC(C)C)C[C@@H]1C ZINC000331135698 947354669 /nfs/dbraw/zinc/35/46/69/947354669.db2.gz PXZRMCBNYVSSEA-JKSUJKDBSA-N 1 0 363.502 3.833 20 30 FHEDRO CC(C)[NH+]1CCC(NC(=O)Nc2cc(F)c(OC(F)F)cc2F)CC1 ZINC000331173707 947362552 /nfs/dbraw/zinc/36/25/52/947362552.db2.gz OWLICRQTDZHMHB-UHFFFAOYSA-N 1 0 363.355 3.765 20 30 FHEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440620675 947374170 /nfs/dbraw/zinc/37/41/70/947374170.db2.gz GUQRGHABIVFULS-IBGZPJMESA-N 1 0 359.857 3.953 20 30 FHEDRO CC[NH+](CC)CC1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000331270785 947374276 /nfs/dbraw/zinc/37/42/76/947374276.db2.gz GFGDUPNFBDJMCX-UHFFFAOYSA-N 1 0 362.474 3.811 20 30 FHEDRO Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000331281279 947376788 /nfs/dbraw/zinc/37/67/88/947376788.db2.gz ILSRWTWIULRQJQ-INIZCTEOSA-N 1 0 374.529 3.533 20 30 FHEDRO Cc1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C#N)cc1N(C)C ZINC000331239869 947378327 /nfs/dbraw/zinc/37/83/27/947378327.db2.gz KMSBNOUFEZZQQY-UHFFFAOYSA-N 1 0 357.502 3.522 20 30 FHEDRO CCN(CC)C(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000331308962 947383686 /nfs/dbraw/zinc/38/36/86/947383686.db2.gz YBVNQRXKNBLZFT-QFBILLFUSA-N 1 0 374.529 3.519 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000523585661 947404057 /nfs/dbraw/zinc/40/40/57/947404057.db2.gz UQRVNJNQVACQIQ-JOCHJYFZSA-N 1 0 374.488 3.574 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000441441289 947421172 /nfs/dbraw/zinc/42/11/72/947421172.db2.gz BGQMOXVESHTQRM-NHCUHLMSSA-N 1 0 359.510 3.578 20 30 FHEDRO CN(C(=O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)C1(C#N)CCCCC1 ZINC000523634545 947467090 /nfs/dbraw/zinc/46/70/90/947467090.db2.gz CHXRPICEEIOFQB-KRWDZBQOSA-N 1 0 359.901 3.814 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](c3ccccc3)c3ccccc32)CC1 ZINC000445090176 947503566 /nfs/dbraw/zinc/50/35/66/947503566.db2.gz JDDDGDSKIMFKRE-OAQYLSRUSA-N 1 0 361.489 3.999 20 30 FHEDRO CC(C)[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000440664186 947534973 /nfs/dbraw/zinc/53/49/73/947534973.db2.gz XJZJYOVRSRGWRM-INIZCTEOSA-N 1 0 373.298 3.645 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccnc1C(F)(F)F)C(C)C ZINC000188351830 947545432 /nfs/dbraw/zinc/54/54/32/947545432.db2.gz VAGMHDANWOLVKA-HNNXBMFYSA-N 1 0 355.404 3.529 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188948524 947566000 /nfs/dbraw/zinc/56/60/00/947566000.db2.gz WOHKBNOOMOURKM-SYYKKAFVSA-N 1 0 358.526 3.727 20 30 FHEDRO C=CC[C@@H]1N(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCCC1(C)C ZINC000445267435 947649025 /nfs/dbraw/zinc/64/90/25/947649025.db2.gz RJUWNRPVJGGYSD-FQEVSTJZSA-N 1 0 370.541 3.822 20 30 FHEDRO CCN(C(=O)Nc1cccc(C#N)c1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184573764 947660539 /nfs/dbraw/zinc/66/05/39/947660539.db2.gz NKPHDZRKJXVGIG-FQEVSTJZSA-N 1 0 362.477 3.995 20 30 FHEDRO C[C@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000121554717 947749861 /nfs/dbraw/zinc/74/98/61/947749861.db2.gz PAAFJIQJMSBZSV-HNNXBMFYSA-N 1 0 369.415 3.573 20 30 FHEDRO Cc1noc(C[C@H]([NH2+]CCCOc2ccc(C#N)cc2)c2ccccc2)n1 ZINC000759939057 947765593 /nfs/dbraw/zinc/76/55/93/947765593.db2.gz YNTQZNXYCPGEDW-FQEVSTJZSA-N 1 0 362.433 3.592 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)CCC[NH2+]1 ZINC000662473472 947842748 /nfs/dbraw/zinc/84/27/48/947842748.db2.gz KOVBHMQUECLXTG-OAQYLSRUSA-N 1 0 357.498 3.586 20 30 FHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(F)c1OC)[C@H]2CC ZINC001143525100 947864960 /nfs/dbraw/zinc/86/49/60/947864960.db2.gz YDRWYDJAIIZKMR-RXVVDRJESA-N 1 0 360.473 3.756 20 30 FHEDRO CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000459023185 947894912 /nfs/dbraw/zinc/89/49/12/947894912.db2.gz YRXXFJJQQQRBBF-QIJZPMMNSA-N 1 0 368.525 3.936 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)CCC[NH2+]1 ZINC000662533188 947899400 /nfs/dbraw/zinc/89/94/00/947899400.db2.gz JPOQRBITBSTHPO-GOSISDBHSA-N 1 0 363.433 3.649 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)CCC[NH2+]1 ZINC000662549485 947905714 /nfs/dbraw/zinc/90/57/14/947905714.db2.gz SCEJFIQBUWFUNU-NRFANRHFSA-N 1 0 370.497 3.731 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCC[NH2+]1 ZINC000662567164 947907618 /nfs/dbraw/zinc/90/76/18/947907618.db2.gz BUWJWQUJRBQYKR-SJLPKXTDSA-N 1 0 369.292 3.592 20 30 FHEDRO CCc1nnc(NC2CC[NH+](CCc3ccccc3)CC2)c(C#N)c1CC ZINC000467739355 947936848 /nfs/dbraw/zinc/93/68/48/947936848.db2.gz ARIKPJZAQGPZSM-UHFFFAOYSA-N 1 0 363.509 3.592 20 30 FHEDRO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000441486032 947968339 /nfs/dbraw/zinc/96/83/39/947968339.db2.gz MIEJUPANPYMPPJ-QXAKKESOSA-N 1 0 366.465 3.634 20 30 FHEDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000190424902 947976349 /nfs/dbraw/zinc/97/63/49/947976349.db2.gz ZFNJTMMCAVUYCY-PMACEKPBSA-N 1 0 368.481 3.595 20 30 FHEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(F)c(Cl)c1 ZINC000180728452 948125522 /nfs/dbraw/zinc/12/55/22/948125522.db2.gz UPPMCGLRQARFQU-ZDUSSCGKSA-N 1 0 351.853 3.815 20 30 FHEDRO Cc1cccc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)oc21 ZINC000141499562 948270068 /nfs/dbraw/zinc/27/00/68/948270068.db2.gz CDXRWYULGMNZIZ-UHFFFAOYSA-N 1 0 361.445 3.817 20 30 FHEDRO COCCC1(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCCC1 ZINC000184723380 948274696 /nfs/dbraw/zinc/27/46/96/948274696.db2.gz LAGCQANSFUJEGC-HXUWFJFHSA-N 1 0 369.509 3.630 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 ZINC000760041765 948349225 /nfs/dbraw/zinc/34/92/25/948349225.db2.gz QJCGZMKZKULEJG-SSKFGXFMSA-N 1 0 353.437 3.655 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000280823945 948353281 /nfs/dbraw/zinc/35/32/81/948353281.db2.gz NSFJAPNWAVIKLQ-CDXJDZJCSA-N 1 0 355.482 3.572 20 30 FHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1cc(C#N)ccc1F ZINC000184754816 948376348 /nfs/dbraw/zinc/37/63/48/948376348.db2.gz JFRMCKQROVMIIV-IRXDYDNUSA-N 1 0 351.469 3.944 20 30 FHEDRO C[C@@H]1C[C@@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000549626480 948378869 /nfs/dbraw/zinc/37/88/69/948378869.db2.gz SBBNNRYXISFPLV-RMFSNUHRSA-N 1 0 355.526 3.706 20 30 FHEDRO COc1ccc(OCCC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000520606717 948393649 /nfs/dbraw/zinc/39/36/49/948393649.db2.gz OFAYOAKPLRCWAA-UHFFFAOYSA-N 1 0 366.461 3.879 20 30 FHEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178542829 948558873 /nfs/dbraw/zinc/55/88/73/948558873.db2.gz WRAZNKSRMWSROJ-QGZVFWFLSA-N 1 0 357.498 3.929 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2OCC(C)C)CC1 ZINC000520693746 948596391 /nfs/dbraw/zinc/59/63/91/948596391.db2.gz QLSXAQRZFSSUPP-UHFFFAOYSA-N 1 0 359.514 3.561 20 30 FHEDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000520707480 948641905 /nfs/dbraw/zinc/64/19/05/948641905.db2.gz HPIOCNUXHJKXSA-HNNXBMFYSA-N 1 0 369.440 3.950 20 30 FHEDRO C[C@H](NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(C#N)cc1 ZINC000047052356 205141967 /nfs/dbraw/zinc/14/19/67/205141967.db2.gz GDWRCSACKIPZIU-SFHVURJKSA-N 1 0 368.525 3.917 20 30 FHEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000051560295 205184214 /nfs/dbraw/zinc/18/42/14/205184214.db2.gz LXDHWURPPUFEDI-LJQANCHMSA-N 1 0 350.418 3.545 20 30 FHEDRO CC(C)[N@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000063750384 205293942 /nfs/dbraw/zinc/29/39/42/205293942.db2.gz LSZQMFFUWXLRTC-UHFFFAOYSA-N 1 0 361.898 3.800 20 30 FHEDRO CCCn1c(C)cc(-c2csc(NC(=O)[C@@H]([NH3+])CCCC#N)n2)c1C ZINC000601855071 567852526 /nfs/dbraw/zinc/85/25/26/567852526.db2.gz GKNKIWFXEJXONE-HNNXBMFYSA-N 1 0 359.499 3.598 20 30 FHEDRO N#Cc1ccc(OCC[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091888822 567884203 /nfs/dbraw/zinc/88/42/03/567884203.db2.gz OKCOTKLLQQXGFI-UHFFFAOYSA-N 1 0 354.425 3.757 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000481393850 567889961 /nfs/dbraw/zinc/88/99/61/567889961.db2.gz SSXUDTZQOVMBOK-DJJJIMSYSA-N 1 0 357.841 3.516 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000602515862 567986661 /nfs/dbraw/zinc/98/66/61/567986661.db2.gz DKRBFBQIUFQTKA-GOSISDBHSA-N 1 0 356.514 3.506 20 30 FHEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1cc2c(cc1Br)OCCO2 ZINC000602520990 567987293 /nfs/dbraw/zinc/98/72/93/567987293.db2.gz LRYNWDNQEJEFIZ-HIFPTAJRSA-N 1 0 365.271 3.953 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(Br)s1 ZINC000602523481 567987516 /nfs/dbraw/zinc/98/75/16/567987516.db2.gz YLPFYNKFTYPADR-GFCCVEGCSA-N 1 0 357.317 3.742 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(Br)s1 ZINC000602523482 567987520 /nfs/dbraw/zinc/98/75/20/567987520.db2.gz YLPFYNKFTYPADR-LBPRGKRZSA-N 1 0 357.317 3.742 20 30 FHEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000602529405 567988171 /nfs/dbraw/zinc/98/81/71/567988171.db2.gz UTOWFEYQOQCALK-NSHDSACASA-N 1 0 362.630 3.591 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000602508861 567988925 /nfs/dbraw/zinc/98/89/25/567988925.db2.gz BXANDPDSLVYWLU-INIZCTEOSA-N 1 0 355.482 3.614 20 30 FHEDRO N#CC1CCC([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000602552546 567990890 /nfs/dbraw/zinc/99/08/90/567990890.db2.gz UTGSBCUWWUUAAI-IUPXNIOVSA-N 1 0 351.416 3.952 20 30 FHEDRO CN1CC[C@@H]([NH2+]CCCCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000602541235 567992943 /nfs/dbraw/zinc/99/29/43/567992943.db2.gz OWEXUFRCQYBXGS-SJORKVTESA-N 1 0 350.304 3.868 20 30 FHEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602576986 567993251 /nfs/dbraw/zinc/99/32/51/567993251.db2.gz DYBWHGVGSHRKBG-IAGOWNOFSA-N 1 0 360.498 3.571 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000602564063 567995403 /nfs/dbraw/zinc/99/54/03/567995403.db2.gz KRXDOOIUCUETEZ-GOSISDBHSA-N 1 0 356.514 3.651 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccccc1OC(F)(F)F ZINC000602570195 567995995 /nfs/dbraw/zinc/99/59/95/567995995.db2.gz WMHSBHFBMDUNMD-AWEZNQCLSA-N 1 0 356.388 3.816 20 30 FHEDRO COCCCOc1cc(C)ccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602574823 567996472 /nfs/dbraw/zinc/99/64/72/567996472.db2.gz DLQPKFCMMBUGLJ-GOSISDBHSA-N 1 0 360.498 3.599 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000602575421 567996543 /nfs/dbraw/zinc/99/65/43/567996543.db2.gz HPAXDFBKDJUSRB-GJZGRUSLSA-N 1 0 365.880 3.746 20 30 FHEDRO C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602605512 567997086 /nfs/dbraw/zinc/99/70/86/567997086.db2.gz WCBGOESZTJLZMO-SJLPKXTDSA-N 1 0 367.415 3.954 20 30 FHEDRO C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602605510 567997090 /nfs/dbraw/zinc/99/70/90/567997090.db2.gz WCBGOESZTJLZMO-FUHWJXTLSA-N 1 0 367.415 3.954 20 30 FHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000602613208 567997758 /nfs/dbraw/zinc/99/77/58/567997758.db2.gz UBQTVHCQNAVMRM-ZACQAIPSSA-N 1 0 350.304 3.866 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000602618137 567998290 /nfs/dbraw/zinc/99/82/90/567998290.db2.gz CWYJSNLZZQLRPY-RXVVDRJESA-N 1 0 355.526 3.586 20 30 FHEDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)OC(C)C ZINC000602620625 567998575 /nfs/dbraw/zinc/99/85/75/567998575.db2.gz YOPDAZVLNIBZGL-PXNSSMCTSA-N 1 0 360.498 3.850 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000602648491 568004596 /nfs/dbraw/zinc/00/45/96/568004596.db2.gz AXSWIOBFFMYSEU-AWEZNQCLSA-N 1 0 352.425 3.811 20 30 FHEDRO CSc1ccc([C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N(C)C)cc1 ZINC000602673498 568008508 /nfs/dbraw/zinc/00/85/08/568008508.db2.gz VDVRCHRZXJQKEI-QFBILLFUSA-N 1 0 361.555 3.700 20 30 FHEDRO C[C@H](CC#N)NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000602869953 568008933 /nfs/dbraw/zinc/00/89/33/568008933.db2.gz RDXAQWDBTSVRCW-DYVFJYSZSA-N 1 0 370.840 3.502 20 30 FHEDRO C[C@@H](CCC#N)C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000602661559 568012458 /nfs/dbraw/zinc/01/24/58/568012458.db2.gz FHAVMPJGRKYUET-AWEZNQCLSA-N 1 0 365.275 3.681 20 30 FHEDRO COc1ccc(N(C(C)=O)c2nc(CN[C@@H]3CC[C@H](C#N)C3)cs2)cc1 ZINC000602694424 568015890 /nfs/dbraw/zinc/01/58/90/568015890.db2.gz MWHSZHLEEYNJSY-LSDHHAIUSA-N 1 0 370.478 3.618 20 30 FHEDRO CN1CC[C@@H]([NH2+]CC2(C#N)CCC2)C[C@H]1c1ccc(Br)cc1 ZINC000602697159 568016453 /nfs/dbraw/zinc/01/64/53/568016453.db2.gz IOPSNQVQLYQDNI-SJORKVTESA-N 1 0 362.315 3.868 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000602705858 568018003 /nfs/dbraw/zinc/01/80/03/568018003.db2.gz NFTTWHMVHMOLGB-DLBZAZTESA-N 1 0 361.917 3.855 20 30 FHEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c1 ZINC000602714393 568019639 /nfs/dbraw/zinc/01/96/39/568019639.db2.gz INGABAUTPTXJHZ-NRFANRHFSA-N 1 0 351.450 3.555 20 30 FHEDRO CCC1([NH+](C)C)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000602738331 568020438 /nfs/dbraw/zinc/02/04/38/568020438.db2.gz IDFZXWFICGQSJS-UHFFFAOYSA-N 1 0 365.525 3.770 20 30 FHEDRO N#CCC1(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000602798041 568035756 /nfs/dbraw/zinc/03/57/56/568035756.db2.gz FQOGQLVXJWKIBQ-INIZCTEOSA-N 1 0 365.399 3.652 20 30 FHEDRO C[C@H](NCC1(CC#N)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000602809820 568041674 /nfs/dbraw/zinc/04/16/74/568041674.db2.gz QJFDTPSNZJTMTG-NSHDSACASA-N 1 0 361.243 3.844 20 30 FHEDRO CC(C)[C@@H]([NH3+])c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603178009 568068272 /nfs/dbraw/zinc/06/82/72/568068272.db2.gz ICWZOKKAQUWTJY-OAQYLSRUSA-N 1 0 359.477 3.834 20 30 FHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1cc(C#N)cs1 ZINC000120380323 568068315 /nfs/dbraw/zinc/06/83/15/568068315.db2.gz PYWFOLVATINSFA-UHFFFAOYSA-N 1 0 355.385 3.981 20 30 FHEDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000481716711 568093871 /nfs/dbraw/zinc/09/38/71/568093871.db2.gz HCXGRZKENOTYDP-SFHVURJKSA-N 1 0 354.397 3.617 20 30 FHEDRO CC(C)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(C(F)(F)F)cc1 ZINC000568632226 568101051 /nfs/dbraw/zinc/10/10/51/568101051.db2.gz MKQVYHSKPXMZCO-UHFFFAOYSA-N 1 0 373.382 3.687 20 30 FHEDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)N(C)C)cc1OC ZINC000181918256 568196328 /nfs/dbraw/zinc/19/63/28/568196328.db2.gz OLTDZXNYBBZGRE-KXBFYZLASA-N 1 0 353.466 3.529 20 30 FHEDRO CC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000604314990 568245851 /nfs/dbraw/zinc/24/58/51/568245851.db2.gz OFTXTWAOFFANSW-YLJYHZDGSA-N 1 0 368.477 3.584 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2OC)c(C)c1OC ZINC000568916368 568252133 /nfs/dbraw/zinc/25/21/33/568252133.db2.gz WLIMYPHCVQSEME-OAHLLOKOSA-N 1 0 370.449 3.622 20 30 FHEDRO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000303638361 568268099 /nfs/dbraw/zinc/26/80/99/568268099.db2.gz HHOKNOYEBFHKHV-PLMTUMEDSA-N 1 0 357.473 3.626 20 30 FHEDRO C=CCOc1ccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1OC ZINC000604365299 568272414 /nfs/dbraw/zinc/27/24/14/568272414.db2.gz YSIXBOIZRWSHFC-UHFFFAOYSA-N 1 0 372.509 3.597 20 30 FHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccco1 ZINC000569040841 568278351 /nfs/dbraw/zinc/27/83/51/568278351.db2.gz JYGJSCDBAPCAAE-QAPCUYQASA-N 1 0 371.506 3.630 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000604468278 568297496 /nfs/dbraw/zinc/29/74/96/568297496.db2.gz BLVQYMIPZAKTPZ-SZROVADBSA-N 1 0 368.521 3.687 20 30 FHEDRO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604468388 568297505 /nfs/dbraw/zinc/29/75/05/568297505.db2.gz XHQODFOWCOYEBH-PGRDOPGGSA-N 1 0 364.489 3.793 20 30 FHEDRO CC(C)C[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604500663 568301689 /nfs/dbraw/zinc/30/16/89/568301689.db2.gz BQFVROPXJCSQRD-HXUWFJFHSA-N 1 0 370.468 3.790 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000181981461 568321430 /nfs/dbraw/zinc/32/14/30/568321430.db2.gz IZIJXRVNYXCDEF-OAQYLSRUSA-N 1 0 352.434 3.825 20 30 FHEDRO C=C(C)COc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000072093573 568346597 /nfs/dbraw/zinc/34/65/97/568346597.db2.gz GLGAHYVYNDJDDD-UHFFFAOYSA-N 1 0 365.477 3.991 20 30 FHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1c1cc(C#N)ncn1 ZINC000570023530 568441162 /nfs/dbraw/zinc/44/11/62/568441162.db2.gz LQGUVQYXZYMEQV-NRFANRHFSA-N 1 0 363.509 3.518 20 30 FHEDRO COc1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1C#N ZINC000570484995 568488123 /nfs/dbraw/zinc/48/81/23/568488123.db2.gz OSGNWKPXLZNJIQ-HSZRJFAPSA-N 1 0 361.489 3.665 20 30 FHEDRO CSC1(CNc2cccc(Br)c2C#N)CC[NH+](C)CC1 ZINC000570494397 568488687 /nfs/dbraw/zinc/48/86/87/568488687.db2.gz SGOTZHQYEYDJKO-UHFFFAOYSA-N 1 0 354.317 3.560 20 30 FHEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000570632982 568492130 /nfs/dbraw/zinc/49/21/30/568492130.db2.gz QIKKZCSYNJWHIF-IBGZPJMESA-N 1 0 363.465 3.877 20 30 FHEDRO N#CCOc1cccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000056627420 568559890 /nfs/dbraw/zinc/55/98/90/568559890.db2.gz NJLPVHZMQAMGLW-UHFFFAOYSA-N 1 0 370.497 3.709 20 30 FHEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(OCC(F)(F)F)cc1 ZINC000570871568 568576636 /nfs/dbraw/zinc/57/66/36/568576636.db2.gz HTQXVKSDPDPQTI-ZDUSSCGKSA-N 1 0 374.366 3.998 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000056642546 568606824 /nfs/dbraw/zinc/60/68/24/568606824.db2.gz FSIUHCYKGKBMKP-INIZCTEOSA-N 1 0 358.486 3.733 20 30 FHEDRO C=CCc1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc(OC)c1OC ZINC000063771712 568644223 /nfs/dbraw/zinc/64/42/23/568644223.db2.gz RCZDSEXOYLVEBS-UHFFFAOYSA-N 1 0 374.525 3.769 20 30 FHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)cc1OC ZINC000050068717 568684494 /nfs/dbraw/zinc/68/44/94/568684494.db2.gz SGJUPABRVBZCKO-SFHVURJKSA-N 1 0 352.434 3.791 20 30 FHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1cccs1 ZINC000365452073 568716334 /nfs/dbraw/zinc/71/63/34/568716334.db2.gz CFIIXZFEPAKIFD-YVEFUNNKSA-N 1 0 358.442 3.573 20 30 FHEDRO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)cc1 ZINC000328602310 571323764 /nfs/dbraw/zinc/32/37/64/571323764.db2.gz BAPBJBKMYKVBFM-UGKGYDQZSA-N 1 0 350.462 3.945 20 30 FHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735832328 598683279 /nfs/dbraw/zinc/68/32/79/598683279.db2.gz ZRPDVZUHSUVWEP-UHFFFAOYSA-N 1 0 364.428 3.536 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828258359 602054756 /nfs/dbraw/zinc/05/47/56/602054756.db2.gz QPKNCGQFWBYSDM-UWJYYQICSA-N 1 0 369.509 3.660 20 30 FHEDRO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)c(C#N)c1 ZINC000820087304 606965076 /nfs/dbraw/zinc/96/50/76/606965076.db2.gz PFKOASOGAQAHRS-UHFFFAOYSA-N 1 0 364.428 3.536 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000819729993 606999979 /nfs/dbraw/zinc/99/99/79/606999979.db2.gz PAKHPTGFQBSKPY-AWEZNQCLSA-N 1 0 369.856 3.849 20 30 FHEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1 ZINC000826386551 608311259 /nfs/dbraw/zinc/31/12/59/608311259.db2.gz JJZSNDPGCUWDAY-UHFFFAOYSA-N 1 0 366.428 3.695 20 30 FHEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824530417 609152229 /nfs/dbraw/zinc/15/22/29/609152229.db2.gz KYYADRTWDCZUBO-SCLBCKFNSA-N 1 0 350.401 3.701 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@@H]43)cnc2Cl)c1 ZINC001164412737 718877925 /nfs/dbraw/zinc/87/79/25/718877925.db2.gz YDVAKWMZQQPJIJ-SJORKVTESA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1cnc(Cl)cc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623550 719058903 /nfs/dbraw/zinc/05/89/03/719058903.db2.gz JRZXPYUVZWGJOR-QFBILLFUSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1c[nH]c2nc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc12 ZINC001164619953 719083209 /nfs/dbraw/zinc/08/32/09/719083209.db2.gz DIJNGPVCCZESGH-PXNSSMCTSA-N 1 0 357.461 3.535 20 30 FHEDRO N#Cc1cnc2cc[nH]c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c1-2 ZINC001164626898 719092211 /nfs/dbraw/zinc/09/22/11/719092211.db2.gz JNJYDPDEFMSTPG-PXNSSMCTSA-N 1 0 357.461 3.535 20 30 FHEDRO N#CCc1ccnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994413 722204967 /nfs/dbraw/zinc/20/49/67/722204967.db2.gz GIKMRWAARGCONX-NRFANRHFSA-N 1 0 350.441 3.532 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(F)cc1Cl ZINC000583065775 937090685 /nfs/dbraw/zinc/09/06/85/937090685.db2.gz FLANYKBJUSRCHK-CJNGLKHVSA-N 1 0 362.832 3.636 20 30 FHEDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000583097911 937120941 /nfs/dbraw/zinc/12/09/41/937120941.db2.gz HNLNJZLGCGWSGO-NHCUHLMSSA-N 1 0 360.461 3.994 20 30 FHEDRO C=CCN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063300613 927168729 /nfs/dbraw/zinc/16/87/29/927168729.db2.gz GTMKHDNGHNXXRE-UHFFFAOYSA-N 1 0 371.387 3.786 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647959917 927365962 /nfs/dbraw/zinc/36/59/62/927365962.db2.gz UXKFRQSLEMLTNC-LJQANCHMSA-N 1 0 358.526 3.968 20 30 FHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3OC3CCCC3)C2)nc1 ZINC000430156061 927390812 /nfs/dbraw/zinc/39/08/12/927390812.db2.gz LTLWTQFXERFHOG-FQEVSTJZSA-N 1 0 363.461 3.928 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(CNC(C)(C)c2cn(-c3ccccc3)nn2)cc1 ZINC000154024387 937166984 /nfs/dbraw/zinc/16/69/84/937166984.db2.gz NSZMIMYZDJAQDP-INIZCTEOSA-N 1 0 361.449 3.583 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC2(CC#N)CC2)C1 ZINC000430175594 927532642 /nfs/dbraw/zinc/53/26/42/927532642.db2.gz CUYGBGBQONTGND-ROUUACIJSA-N 1 0 368.525 3.658 20 30 FHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001167055441 927541502 /nfs/dbraw/zinc/54/15/02/927541502.db2.gz JBJMRQHHIUQZGL-VIFPVBQESA-N 1 0 372.206 3.521 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(CC#N)c1)c1cccc(OC)c1 ZINC000049619293 927550744 /nfs/dbraw/zinc/55/07/44/927550744.db2.gz GOGLEPODTPZHNN-NRFANRHFSA-N 1 0 365.477 3.574 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1(CC#N)CC1 ZINC000430186362 927655021 /nfs/dbraw/zinc/65/50/21/927655021.db2.gz LGFAJRXYLCMBKA-QGZVFWFLSA-N 1 0 354.498 3.554 20 30 FHEDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000543981221 927706041 /nfs/dbraw/zinc/70/60/41/927706041.db2.gz KEIMECSPGXOIAA-JWRWLIQVSA-N 1 0 356.514 3.614 20 30 FHEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)o1 ZINC000278108180 937189720 /nfs/dbraw/zinc/18/97/20/937189720.db2.gz BCCBTCCPCXQLNC-UHFFFAOYSA-N 1 0 350.340 3.966 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579816904 927914997 /nfs/dbraw/zinc/91/49/97/927914997.db2.gz NNBWFSLGSYETRO-UNMCSNQZSA-N 1 0 374.488 3.509 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000043230566 928042937 /nfs/dbraw/zinc/04/29/37/928042937.db2.gz BMKFFDJVFRXJML-OAQYLSRUSA-N 1 0 364.493 3.783 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583192327 937224580 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352.400 3.875 20 30 FHEDRO C[C@H](O)C[N@H+](Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000583222041 937250257 /nfs/dbraw/zinc/25/02/57/937250257.db2.gz VJCXRYVBJNFDKB-ZDUSSCGKSA-N 1 0 351.288 3.836 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000471173665 928554302 /nfs/dbraw/zinc/55/43/02/928554302.db2.gz SXJPCKIZRSMHTF-FQEVSTJZSA-N 1 0 365.477 3.546 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1F ZINC000583234396 937264564 /nfs/dbraw/zinc/26/45/64/937264564.db2.gz QEYSZAXCXJKRPK-UHFFFAOYSA-N 1 0 358.461 3.817 20 30 FHEDRO COc1cc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1C#N ZINC000583234464 937264647 /nfs/dbraw/zinc/26/46/47/937264647.db2.gz RJUPPBXTSSSLRU-DKUWSORSSA-N 1 0 361.489 3.852 20 30 FHEDRO C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@@H+]1CCc2sccc2C1 ZINC000120529629 928787307 /nfs/dbraw/zinc/78/73/07/928787307.db2.gz ONIYJCUJPALYST-STCDJXRXSA-N 1 0 351.475 3.868 20 30 FHEDRO N#Cc1ccc(CCC[N@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)cc1 ZINC001208863123 928805711 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FHEDRO N#CC1CCC(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)CC1 ZINC001167318077 929746089 /nfs/dbraw/zinc/74/60/89/929746089.db2.gz CTZNCAOBFCZEJH-UHFFFAOYSA-N 1 0 363.864 3.567 20 30 FHEDRO COc1cccc(Cl)c1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000560549271 929885979 /nfs/dbraw/zinc/88/59/79/929885979.db2.gz WXKDHSJUVMIAIH-UHFFFAOYSA-N 1 0 355.869 3.979 20 30 FHEDRO C[C@@H]1CCC[C@@H](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000134083736 929952247 /nfs/dbraw/zinc/95/22/47/929952247.db2.gz FAWXNKLKZBRTIH-WIYYLYMNSA-N 1 0 353.510 3.809 20 30 FHEDRO CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000278215713 937374984 /nfs/dbraw/zinc/37/49/84/937374984.db2.gz IHDOWFXVILIWLU-NHCUHLMSSA-N 1 0 363.461 3.917 20 30 FHEDRO CC[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000278215725 937375027 /nfs/dbraw/zinc/37/50/27/937375027.db2.gz IHDOWFXVILIWLU-SFTDATJTSA-N 1 0 363.461 3.917 20 30 FHEDRO Cc1ccc(F)c(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(C#N)c3)C2=O)c1 ZINC000610346195 930046731 /nfs/dbraw/zinc/04/67/31/930046731.db2.gz NTMBOKDSQCEKJP-HNAYVOBHSA-N 1 0 351.425 3.852 20 30 FHEDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351639 930089039 /nfs/dbraw/zinc/08/90/39/930089039.db2.gz BRHLTNIGYARQLT-UWJYYQICSA-N 1 0 362.477 3.583 20 30 FHEDRO C[C@@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1cccc(C#N)c1 ZINC000610356973 930111935 /nfs/dbraw/zinc/11/19/35/930111935.db2.gz DJNYWLTXXCAOQW-OHTSDLOESA-N 1 0 354.498 3.525 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1OC ZINC000123764895 930120604 /nfs/dbraw/zinc/12/06/04/930120604.db2.gz LDVOGXLFQGXTDU-PBHICJAKSA-N 1 0 359.388 3.538 20 30 FHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370295 930170554 /nfs/dbraw/zinc/17/05/54/930170554.db2.gz JDRCNGVWNABFFS-FGZHOGPDSA-N 1 0 366.505 3.754 20 30 FHEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610370745 930175284 /nfs/dbraw/zinc/17/52/84/930175284.db2.gz CBESFEZNEZLRKO-CDMIOBSGSA-N 1 0 368.452 3.715 20 30 FHEDRO CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000118880633 930184862 /nfs/dbraw/zinc/18/48/62/930184862.db2.gz UUJZKEVXILGJEG-SFHVURJKSA-N 1 0 369.509 3.503 20 30 FHEDRO C[C@@H]([NH2+]C1(CNCc2cc(C#N)cs2)CCOCC1)c1ccccc1 ZINC000177704593 930227559 /nfs/dbraw/zinc/22/75/59/930227559.db2.gz RQIMPNVNPRRBIP-MRXNPFEDSA-N 1 0 355.507 3.609 20 30 FHEDRO C[C@@H](NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000579453090 930228015 /nfs/dbraw/zinc/22/80/15/930228015.db2.gz ASYSUBOSYFLSAJ-UZUQRXQVSA-N 1 0 374.488 3.681 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000580175200 930334819 /nfs/dbraw/zinc/33/48/19/930334819.db2.gz PODIVRNKCJMHRL-AEFFLSMTSA-N 1 0 359.539 3.510 20 30 FHEDRO CCC[N@H+](C)[C@H](CNC(=O)c1ncc(C#N)cc1C)c1ccc(Cl)cc1 ZINC000580176652 930335065 /nfs/dbraw/zinc/33/50/65/930335065.db2.gz UFHJFZDGUUIYIL-GOSISDBHSA-N 1 0 370.884 3.728 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)CC1 ZINC000050026515 930359476 /nfs/dbraw/zinc/35/94/76/930359476.db2.gz NNGKMPHNOINGCU-UHFFFAOYSA-N 1 0 353.491 3.711 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)CC1 ZINC000050026516 930359623 /nfs/dbraw/zinc/35/96/23/930359623.db2.gz OTSITOQXKIVBFV-UHFFFAOYSA-N 1 0 371.531 3.816 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000536012723 937410247 /nfs/dbraw/zinc/41/02/47/937410247.db2.gz LVRMORRPXCOPLT-KRWDZBQOSA-N 1 0 356.857 3.506 20 30 FHEDRO C#Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000050053107 930385005 /nfs/dbraw/zinc/38/50/05/930385005.db2.gz YLBZWDYVPFOVRJ-KRWDZBQOSA-N 1 0 353.491 3.763 20 30 FHEDRO Cn1cc(C[NH2+]Cc2ccc3cccnc3c2)c(-c2ccc(C#N)cc2)n1 ZINC000611767182 937416806 /nfs/dbraw/zinc/41/68/06/937416806.db2.gz BIAAJQKIRIHLRA-UHFFFAOYSA-N 1 0 353.429 3.797 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610422490 930497047 /nfs/dbraw/zinc/49/70/47/930497047.db2.gz KRMFPGZYVCMIFO-GASCZTMLSA-N 1 0 350.422 3.557 20 30 FHEDRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000610423927 930501261 /nfs/dbraw/zinc/50/12/61/930501261.db2.gz JOBBOGIOYWNPHP-UHFFFAOYSA-N 1 0 364.449 3.804 20 30 FHEDRO CC(C)[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CC[NH2+]1 ZINC001167380102 930507406 /nfs/dbraw/zinc/50/74/06/930507406.db2.gz WEOAHZIPMNBMTN-GOSISDBHSA-N 1 0 365.502 3.779 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)CC1 ZINC000160468571 930545855 /nfs/dbraw/zinc/54/58/55/930545855.db2.gz IROICLVXNOLTCG-UHFFFAOYSA-N 1 0 373.456 3.702 20 30 FHEDRO COc1ccc(Cn2nc(C)c(C[NH2+]CC(C)(C)CCC#N)c2C)cc1 ZINC000580356591 930566965 /nfs/dbraw/zinc/56/69/65/930566965.db2.gz KSJAKYUVMJQADY-UHFFFAOYSA-N 1 0 354.498 3.976 20 30 FHEDRO Cc1csc(-c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)n1 ZINC000328718418 930572189 /nfs/dbraw/zinc/57/21/89/930572189.db2.gz UZDVIKVSVQHOLE-IRXDYDNUSA-N 1 0 356.495 3.880 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC000175809473 930646825 /nfs/dbraw/zinc/64/68/25/930646825.db2.gz BIWNIFIJVVODGX-UHFFFAOYSA-N 1 0 360.448 3.581 20 30 FHEDRO C=CCOc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1OC ZINC000275885290 930688592 /nfs/dbraw/zinc/68/85/92/930688592.db2.gz RKKIJFUTIWVHRX-UHFFFAOYSA-N 1 0 354.450 3.616 20 30 FHEDRO COc1ccccc1[C@H](CNc1snc(C)c1C#N)[NH+]1CCCCC1 ZINC000561119804 930695826 /nfs/dbraw/zinc/69/58/26/930695826.db2.gz CVSZVMBKIRQVEZ-KRWDZBQOSA-N 1 0 356.495 3.971 20 30 FHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@]2(C#N)CC23CCCC3)CCC1 ZINC000580524253 930805863 /nfs/dbraw/zinc/80/58/63/930805863.db2.gz FHONOJGNDHMVDH-JOCHJYFZSA-N 1 0 351.494 3.631 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(-n2ccnn2)cc1 ZINC000537127089 930820679 /nfs/dbraw/zinc/82/06/79/930820679.db2.gz XYZQVMVQARHYSM-ZDUSSCGKSA-N 1 0 369.375 3.591 20 30 FHEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000728302589 930948012 /nfs/dbraw/zinc/94/80/12/930948012.db2.gz VQBSBTDBIIQHMX-INIZCTEOSA-N 1 0 363.461 3.739 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000119249038 930950838 /nfs/dbraw/zinc/95/08/38/930950838.db2.gz GPVFTJIJZLMOCN-YOEHRIQHSA-N 1 0 369.415 3.619 20 30 FHEDRO FC1(F)[C@@H]2C[NH+](CC[C@@H]3CCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941461 930969598 /nfs/dbraw/zinc/96/95/98/930969598.db2.gz BXGRPONAKFZFEU-IVZWLZJFSA-N 1 0 367.280 3.658 20 30 FHEDRO C=C(C)[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000548128694 931041456 /nfs/dbraw/zinc/04/14/56/931041456.db2.gz BAEGCJNZWGMCNP-RDTXWAMCSA-N 1 0 351.441 3.612 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000580723153 931055865 /nfs/dbraw/zinc/05/58/65/931055865.db2.gz QSZXROKCHQXRED-WMZOPIPTSA-N 1 0 355.507 3.536 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc(C4CC4)s3)C2)c(F)c1 ZINC000134304637 931094942 /nfs/dbraw/zinc/09/49/42/931094942.db2.gz JZDANISRRCVQEM-OAHLLOKOSA-N 1 0 356.470 3.790 20 30 FHEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000580758237 931114537 /nfs/dbraw/zinc/11/45/37/931114537.db2.gz QDUJTHCBNHCBHI-QGZVFWFLSA-N 1 0 366.490 3.925 20 30 FHEDRO CC[NH+]1CCN([C@@H](C)CNc2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000579856357 931142255 /nfs/dbraw/zinc/14/22/55/931142255.db2.gz WGLITEHBPYEEMM-HNNXBMFYSA-N 1 0 371.916 3.506 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000510349683 931163979 /nfs/dbraw/zinc/16/39/79/931163979.db2.gz XMILEHWTFJLVRM-UHFFFAOYSA-N 1 0 369.534 3.718 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)Cc1ccccc1 ZINC000119340247 931215305 /nfs/dbraw/zinc/21/53/05/931215305.db2.gz CURUGLUKAYQTRO-QGZVFWFLSA-N 1 0 371.431 3.519 20 30 FHEDRO C[C@H]1OCC[C@]1(O)C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000684108580 931336471 /nfs/dbraw/zinc/33/64/71/931336471.db2.gz GOIGWTFZJGWZLE-GCJKJVERSA-N 1 0 369.892 3.734 20 30 FHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c(F)c1 ZINC000177856031 931351141 /nfs/dbraw/zinc/35/11/41/931351141.db2.gz JCZKRORKYCOAOF-UHFFFAOYSA-N 1 0 371.843 3.745 20 30 FHEDRO C=CCn1ncc2ccc(NC(=O)N(C)[C@@H]3CC[N@@H+](CC)[C@H](C)C3)cc21 ZINC000933072962 931464171 /nfs/dbraw/zinc/46/41/71/931464171.db2.gz NKJBSWIUFHRLRQ-CRAIPNDOSA-N 1 0 355.486 3.559 20 30 FHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001167442510 931464311 /nfs/dbraw/zinc/46/43/11/931464311.db2.gz FMIGQUVIXNMFAY-RBUKOAKNSA-N 1 0 357.498 3.802 20 30 FHEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000581035504 931481173 /nfs/dbraw/zinc/48/11/73/931481173.db2.gz UOBISWNBSOXUPK-HXUWFJFHSA-N 1 0 351.450 3.979 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000177894921 931521089 /nfs/dbraw/zinc/52/10/89/931521089.db2.gz CICAMYLPDUTDQH-HOTGVXAUSA-N 1 0 358.461 3.816 20 30 FHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1C#N ZINC000177897588 931522893 /nfs/dbraw/zinc/52/28/93/931522893.db2.gz BABRAJMOFXCZAI-QGZVFWFLSA-N 1 0 366.440 3.683 20 30 FHEDRO COc1ccc(CNC2CC[NH+](CC(C)C)CC2)cc1OCCCC#N ZINC000064613892 931542664 /nfs/dbraw/zinc/54/26/64/931542664.db2.gz WKAQSKHLOXKJTA-UHFFFAOYSA-N 1 0 359.514 3.588 20 30 FHEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000156825479 931608090 /nfs/dbraw/zinc/60/80/90/931608090.db2.gz RUEMAQYCUJQIFJ-GOSISDBHSA-N 1 0 365.481 3.583 20 30 FHEDRO CCC[NH+]1CCC(CNC(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000157807469 931738349 /nfs/dbraw/zinc/73/83/49/931738349.db2.gz CIHBNWSCIBFPQF-UHFFFAOYSA-N 1 0 358.486 3.589 20 30 FHEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000548159668 931877227 /nfs/dbraw/zinc/87/72/27/931877227.db2.gz DYMYSACJFFSFRG-VQIMIIECSA-N 1 0 365.481 3.631 20 30 FHEDRO CN1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581398430 931957553 /nfs/dbraw/zinc/95/75/53/931957553.db2.gz NVOSJOASUJVYOB-VQTJNVASSA-N 1 0 373.859 3.765 20 30 FHEDRO C=CC[S@@](=O)(=NC(=O)C[C@H](n1ccnc1)C(F)(F)F)c1ccccc1 ZINC000891382570 931981957 /nfs/dbraw/zinc/98/19/57/931981957.db2.gz PDMHKEKEYWBZPY-SXBQZSJRSA-N 1 0 371.384 3.616 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000121373000 932075867 /nfs/dbraw/zinc/07/58/67/932075867.db2.gz KIWGYMUSZJYHHV-UHFFFAOYSA-N 1 0 366.461 3.808 20 30 FHEDRO N#CC1(CCC[N@H+]2CCc3ccc(Br)cc3C2)CCOCC1 ZINC000581444469 932085432 /nfs/dbraw/zinc/08/54/32/932085432.db2.gz WURCTKFJUWMYBT-UHFFFAOYSA-N 1 0 363.299 3.908 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C)ccc2Br)CC1 ZINC000129125305 932132177 /nfs/dbraw/zinc/13/21/77/932132177.db2.gz VHNUKHGKXOUYNL-UHFFFAOYSA-N 1 0 366.303 3.920 20 30 FHEDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1cnc2ccc(C#N)cn12 ZINC000510435572 932323266 /nfs/dbraw/zinc/32/32/66/932323266.db2.gz LIRZVIBHIHQUIH-UHFFFAOYSA-N 1 0 354.841 3.760 20 30 FHEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000477167981 932363664 /nfs/dbraw/zinc/36/36/64/932363664.db2.gz YSZJKBCVVWLBMQ-FQEVSTJZSA-N 1 0 364.445 3.935 20 30 FHEDRO C=C(C)C[C@@H](NC(C)=O)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000656748215 932384655 /nfs/dbraw/zinc/38/46/55/932384655.db2.gz URAOWZGNCXAQTE-LJQANCHMSA-N 1 0 368.481 3.866 20 30 FHEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)N1CCCC[C@H]1C ZINC000581717345 932551567 /nfs/dbraw/zinc/55/15/67/932551567.db2.gz VTFPOWISKRRIIM-IYVCXYCASA-N 1 0 353.510 3.770 20 30 FHEDRO C[N@H+](CCCC(C)(C)C#N)CC(=O)Nc1ccccc1Br ZINC000471691588 932630028 /nfs/dbraw/zinc/63/00/28/932630028.db2.gz CJVOUBZSGCAFKG-UHFFFAOYSA-N 1 0 352.276 3.649 20 30 FHEDRO CC(C)(C)c1ccc(CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000581843884 932732036 /nfs/dbraw/zinc/73/20/36/932732036.db2.gz LHWJKHSYYQRWHC-OAQYLSRUSA-N 1 0 366.505 3.622 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000134647387 932767403 /nfs/dbraw/zinc/76/74/03/932767403.db2.gz NXJGZIVEAQXJAN-WMZOPIPTSA-N 1 0 373.497 3.705 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000134647319 932767449 /nfs/dbraw/zinc/76/74/49/932767449.db2.gz NXJGZIVEAQXJAN-SJLPKXTDSA-N 1 0 373.497 3.705 20 30 FHEDRO CN(CCCCCC[NH3+])C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000891586523 932797244 /nfs/dbraw/zinc/79/72/44/932797244.db2.gz VYZMQSRITYFNKO-UHFFFAOYSA-N 1 0 370.522 3.947 20 30 FHEDRO CC(C)Oc1cccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255374593 932861737 /nfs/dbraw/zinc/86/17/37/932861737.db2.gz YJJPQIXNOUNWKV-UHFFFAOYSA-N 1 0 354.450 3.861 20 30 FHEDRO C[C@@H]1CC[N@H+](Cc2cccn2Cc2ccccc2C#N)C[C@@H]1n1ccnc1 ZINC000187462402 932885498 /nfs/dbraw/zinc/88/54/98/932885498.db2.gz GIEKXYYKSRJCEE-GCJKJVERSA-N 1 0 359.477 3.688 20 30 FHEDRO C[NH+](C)CC1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000477656671 932943993 /nfs/dbraw/zinc/94/39/93/932943993.db2.gz BNKYKKCBVWSJIL-UHFFFAOYSA-N 1 0 363.461 3.764 20 30 FHEDRO N#Cc1ccccc1Cn1cccc1C[NH2+]CC[C@@H]1C(=O)Nc2ccccc21 ZINC000187620330 933066316 /nfs/dbraw/zinc/06/63/16/933066316.db2.gz UYORKVHMAQRLIV-NRFANRHFSA-N 1 0 370.456 3.624 20 30 FHEDRO C[C@H]1CN(Cc2ccccc2NCc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000178297971 933071496 /nfs/dbraw/zinc/07/14/96/933071496.db2.gz FKLXZDKIZGBFQW-HOTGVXAUSA-N 1 0 353.441 3.919 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000548358305 933083718 /nfs/dbraw/zinc/08/37/18/933083718.db2.gz UPCWAUKCZAAWDD-UWJYYQICSA-N 1 0 359.473 3.542 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]CCSCc3ccccc3)C2=O)cc1 ZINC000430759317 933213315 /nfs/dbraw/zinc/21/33/15/933213315.db2.gz XRVCSOYVYFVHFZ-FQEVSTJZSA-N 1 0 365.502 3.577 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000430763232 933216055 /nfs/dbraw/zinc/21/60/55/933216055.db2.gz NLGNPAJDDOUZGB-JFIYKMOQSA-N 1 0 357.523 3.780 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000430763236 933217330 /nfs/dbraw/zinc/21/73/30/933217330.db2.gz NLGNPAJDDOUZGB-SOLBZPMBSA-N 1 0 357.523 3.780 20 30 FHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000510552881 933219321 /nfs/dbraw/zinc/21/93/21/933219321.db2.gz QNUMNDXMGHCWLL-UWJYYQICSA-N 1 0 361.489 3.706 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1 ZINC000510569116 933228109 /nfs/dbraw/zinc/22/81/09/933228109.db2.gz IBXNKYJBOVSGSV-JOCHJYFZSA-N 1 0 361.489 3.662 20 30 FHEDRO N#CCC[N@H+](CCN1CCOCC1)CC1CCC(c2ccccc2)CC1 ZINC000548394702 933373338 /nfs/dbraw/zinc/37/33/38/933373338.db2.gz MHMMJLGQMWEXBD-UHFFFAOYSA-N 1 0 355.526 3.508 20 30 FHEDRO N#Cc1ccc(OCC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000430946224 933461611 /nfs/dbraw/zinc/46/16/11/933461611.db2.gz VDFZXMPMULLLMN-JOCHJYFZSA-N 1 0 350.462 3.661 20 30 FHEDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000510722230 933522969 /nfs/dbraw/zinc/52/29/69/933522969.db2.gz VUPGRLMXENTWMW-YJBOKZPZSA-N 1 0 353.441 3.593 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000510730471 933597866 /nfs/dbraw/zinc/59/78/66/933597866.db2.gz DFUXAWBRLXIJDY-IAGOWNOFSA-N 1 0 372.513 3.837 20 30 FHEDRO C[NH+]1CCC(N(C(=O)c2c(F)cc(C#N)cc2F)c2ccccc2)CC1 ZINC000610666395 933700326 /nfs/dbraw/zinc/70/03/26/933700326.db2.gz KAZQNEWWEFXNEJ-UHFFFAOYSA-N 1 0 355.388 3.577 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C2CC2)c1 ZINC000933847403 933706912 /nfs/dbraw/zinc/70/69/12/933706912.db2.gz MBEJZMNYFBPHSX-QGZVFWFLSA-N 1 0 352.482 3.775 20 30 FHEDRO C#CCC[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000276855585 933801956 /nfs/dbraw/zinc/80/19/56/933801956.db2.gz JQZMZHYXBPRGJA-UHFFFAOYSA-N 1 0 360.255 3.702 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000247483698 933889291 /nfs/dbraw/zinc/88/92/91/933889291.db2.gz UXCUPHKLZUTBEC-MJGOQNOKSA-N 1 0 368.506 3.502 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1N1CCOCC1 ZINC000092217543 933939051 /nfs/dbraw/zinc/93/90/51/933939051.db2.gz JTYNTJGOVPOWFI-UHFFFAOYSA-N 1 0 352.478 3.720 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000891919635 934036875 /nfs/dbraw/zinc/03/68/75/934036875.db2.gz ZHAGOOYUZMUCBE-PZJWPPBQSA-N 1 0 354.498 3.597 20 30 FHEDRO CCCN(C(=O)NCC1(CC#N)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000431194096 934147586 /nfs/dbraw/zinc/14/75/86/934147586.db2.gz QXVAGYRKQOBSTE-FQEVSTJZSA-N 1 0 368.525 3.766 20 30 FHEDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610783291 934181784 /nfs/dbraw/zinc/18/17/84/934181784.db2.gz BLYGJTSDSSIHBE-NZQKXSOJSA-N 1 0 364.489 3.748 20 30 FHEDRO CCN(C(=O)NCC1(CC#N)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000431200848 934194200 /nfs/dbraw/zinc/19/42/00/934194200.db2.gz BFMDBUQHLRZTHE-HKUYNNGSSA-N 1 0 354.498 3.547 20 30 FHEDRO CC(C)(CC#N)CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000458136611 934325722 /nfs/dbraw/zinc/32/57/22/934325722.db2.gz NFJPYDDSECYCKL-UHFFFAOYSA-N 1 0 356.514 3.802 20 30 FHEDRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610812677 934455903 /nfs/dbraw/zinc/45/59/03/934455903.db2.gz IALFBVGUABTKCT-CYBMUJFWSA-N 1 0 358.486 3.896 20 30 FHEDRO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000610812738 934460528 /nfs/dbraw/zinc/46/05/28/934460528.db2.gz LWPDTZBVDXONNX-LJQANCHMSA-N 1 0 355.526 3.930 20 30 FHEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000277082926 934484540 /nfs/dbraw/zinc/48/45/40/934484540.db2.gz UNIPGQDCNOXCAO-HNNXBMFYSA-N 1 0 353.304 3.520 20 30 FHEDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)c2ccccc2)n1 ZINC000277115982 934494797 /nfs/dbraw/zinc/49/47/97/934494797.db2.gz NDIQLJRQWWHWAN-MGPUTAFESA-N 1 0 362.433 3.915 20 30 FHEDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829736 934501888 /nfs/dbraw/zinc/50/18/88/934501888.db2.gz HFUUOOCWCIMVOG-KGLIPLIRSA-N 1 0 352.394 3.534 20 30 FHEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000277142040 934557790 /nfs/dbraw/zinc/55/77/90/934557790.db2.gz VTSFFZHHAHIZKA-AWEZNQCLSA-N 1 0 354.376 3.525 20 30 FHEDRO CC(C)[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCCC1 ZINC000458313490 934668501 /nfs/dbraw/zinc/66/85/01/934668501.db2.gz UPAXFUBLQPOLQT-WOJBJXKFSA-N 1 0 356.514 3.841 20 30 FHEDRO C=C(C)[C@@H](CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)OCC ZINC000535896150 934726421 /nfs/dbraw/zinc/72/64/21/934726421.db2.gz WTIBVGXLYJMTAY-OAQYLSRUSA-N 1 0 358.526 3.906 20 30 FHEDRO COc1ccc(C[NH+]2CCC([C@H]3CCCCCN3C(C)=O)CC2)cc1C#N ZINC000610992966 934731524 /nfs/dbraw/zinc/73/15/24/934731524.db2.gz WZZANXXEWORMIH-OAQYLSRUSA-N 1 0 369.509 3.570 20 30 FHEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)OCC ZINC000535914620 934785271 /nfs/dbraw/zinc/78/52/71/934785271.db2.gz MIKMUVLUEPLNAU-FXAWDEMLSA-N 1 0 360.498 3.717 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(C2CC2)no1 ZINC000657237063 934798187 /nfs/dbraw/zinc/79/81/87/934798187.db2.gz DETVZJPCRMNCBQ-UHFFFAOYSA-N 1 0 373.526 3.650 20 30 FHEDRO C[C@H](Nc1cc(C#N)c2ccccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380467979 934803702 /nfs/dbraw/zinc/80/37/02/934803702.db2.gz QLFSHINAMRQCPC-PKOBYXMFSA-N 1 0 356.473 3.851 20 30 FHEDRO CC[C@H](C)c1nnc([C@@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000277260387 934848457 /nfs/dbraw/zinc/84/84/57/934848457.db2.gz OUWSOBKWEADFGN-JKSUJKDBSA-N 1 0 366.513 3.505 20 30 FHEDRO CC[C@H](C)c1nnc([C@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000277260381 934848675 /nfs/dbraw/zinc/84/86/75/934848675.db2.gz OUWSOBKWEADFGN-HOTGVXAUSA-N 1 0 366.513 3.505 20 30 FHEDRO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000450333887 934896259 /nfs/dbraw/zinc/89/62/59/934896259.db2.gz YMKZMJUDCDBINY-QFIPXVFZSA-N 1 0 363.505 3.971 20 30 FHEDRO COc1cccc(NC(=[NH2+])NCc2cccc(OCc3ccccn3)c2)c1 ZINC000104163139 935004420 /nfs/dbraw/zinc/00/44/20/935004420.db2.gz PVHWPRYIMAGBKL-UHFFFAOYSA-N 1 0 362.433 3.596 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3cccc(F)c3C#N)cc2)C[C@H](C)O1 ZINC000071952648 935062199 /nfs/dbraw/zinc/06/21/99/935062199.db2.gz RKKUUUAGLWDUOB-IYBDPMFKSA-N 1 0 353.441 3.919 20 30 FHEDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000277392127 935070412 /nfs/dbraw/zinc/07/04/12/935070412.db2.gz XLNZVFUIMICPSM-IBGZPJMESA-N 1 0 363.461 3.907 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000539245654 935106721 /nfs/dbraw/zinc/10/67/21/935106721.db2.gz FCOXFEINRGDPHD-CYBMUJFWSA-N 1 0 362.376 3.898 20 30 FHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511058048 935170219 /nfs/dbraw/zinc/17/02/19/935170219.db2.gz DBRGRVOAYXCYAE-FQEVSTJZSA-N 1 0 350.453 3.973 20 30 FHEDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000539607403 935260187 /nfs/dbraw/zinc/26/01/87/935260187.db2.gz GMINUDMASFHNAN-OPURJYLOSA-N 1 0 371.843 3.973 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)c(C#N)c1C ZINC000934292245 935269500 /nfs/dbraw/zinc/26/95/00/935269500.db2.gz OTXBZDJSXAGLRN-SFHVURJKSA-N 1 0 354.454 3.787 20 30 FHEDRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551553964 935310571 /nfs/dbraw/zinc/31/05/71/935310571.db2.gz BOFVIPHCZOXTCR-ZDUSSCGKSA-N 1 0 369.266 3.689 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(O)c1OC ZINC000892202348 935327122 /nfs/dbraw/zinc/32/71/22/935327122.db2.gz QOKWWLQBPANNRF-ZWKOTPCHSA-N 1 0 352.434 3.681 20 30 FHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(-n2ccnn2)c1 ZINC000562023665 935358054 /nfs/dbraw/zinc/35/80/54/935358054.db2.gz PLBZJYSPMZCSDA-INIZCTEOSA-N 1 0 363.490 3.723 20 30 FHEDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccc(C#N)cc1F ZINC000611589678 935569212 /nfs/dbraw/zinc/56/92/12/935569212.db2.gz TUZMBCUDPUKQQI-IGNZVWTISA-N 1 0 366.358 3.882 20 30 FHEDRO Cn1cc(C[NH2+]Cc2ccnc(OC3CCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478387936 935625220 /nfs/dbraw/zinc/62/52/20/935625220.db2.gz SOOPZZWWPYPSQT-UHFFFAOYSA-N 1 0 373.460 3.575 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2COC)CC1 ZINC000425742407 945115562 /nfs/dbraw/zinc/11/55/62/945115562.db2.gz XFFPVIAZKNHJGL-UHFFFAOYSA-N 1 0 351.878 3.648 20 30 FHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511122174 935690291 /nfs/dbraw/zinc/69/02/91/935690291.db2.gz MVPICWMMBKAKQH-MGPUTAFESA-N 1 0 363.452 3.556 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1OCCCC#N ZINC000611609628 935735196 /nfs/dbraw/zinc/73/51/96/935735196.db2.gz VLDNAAGSSVADJE-HNNXBMFYSA-N 1 0 354.397 3.581 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582474630 935761574 /nfs/dbraw/zinc/76/15/74/935761574.db2.gz QORQEHVFFGWBRQ-BRWVUGGUSA-N 1 0 372.538 3.792 20 30 FHEDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000562068616 935778729 /nfs/dbraw/zinc/77/87/29/935778729.db2.gz XJHQDAQNOBIJTA-OKILXGFUSA-N 1 0 369.431 3.554 20 30 FHEDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000113326195 935816454 /nfs/dbraw/zinc/81/64/54/935816454.db2.gz OGFCNWOLMKNPLM-NRFANRHFSA-N 1 0 360.461 3.595 20 30 FHEDRO CC(C)Sc1ccc(CN2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000511160078 935823414 /nfs/dbraw/zinc/82/34/14/935823414.db2.gz IJZFCTIYGRSWHH-UHFFFAOYSA-N 1 0 352.507 3.776 20 30 FHEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000375717318 935838320 /nfs/dbraw/zinc/83/83/20/935838320.db2.gz DTWKBJIGDKSVBB-IOMROCGXSA-N 1 0 356.510 3.700 20 30 FHEDRO C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023904212 935841163 /nfs/dbraw/zinc/84/11/63/935841163.db2.gz BBXKHKYWWIRZHT-INIZCTEOSA-N 1 0 367.497 3.508 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000472232583 935844793 /nfs/dbraw/zinc/84/47/93/935844793.db2.gz NAAXKRFABRHLIL-MSOLQXFVSA-N 1 0 366.509 3.542 20 30 FHEDRO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472232634 935845230 /nfs/dbraw/zinc/84/52/30/935845230.db2.gz NMXBFEJFVINSBE-QGZVFWFLSA-N 1 0 368.481 3.821 20 30 FHEDRO CO[C@]1(C)C[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C1(C)C ZINC000472238205 935908773 /nfs/dbraw/zinc/90/87/73/935908773.db2.gz JWBNQTFUCLNXAB-IFMALSPDSA-N 1 0 367.493 3.873 20 30 FHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2ccccc2)c1 ZINC000255519246 935938526 /nfs/dbraw/zinc/93/85/26/935938526.db2.gz CAJKZYZQKKWIMN-YWBAYFEHSA-N 1 0 361.445 3.531 20 30 FHEDRO CCCC[NH+]1CCC(NC(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000158721541 935939148 /nfs/dbraw/zinc/93/91/48/935939148.db2.gz YGGVQYZNNPEFFU-UHFFFAOYSA-N 1 0 358.486 3.731 20 30 FHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000074805351 935997296 /nfs/dbraw/zinc/99/72/96/935997296.db2.gz MMAKQZHHTGXTHI-UHFFFAOYSA-N 1 0 366.490 3.667 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)ccc1OC ZINC000657549418 936006127 /nfs/dbraw/zinc/00/61/27/936006127.db2.gz CLCFBFMXCHJAQL-UHFFFAOYSA-N 1 0 367.371 3.749 20 30 FHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000075926164 936017496 /nfs/dbraw/zinc/01/74/96/936017496.db2.gz YQXMFHMUSPSNRX-KRWDZBQOSA-N 1 0 367.415 3.571 20 30 FHEDRO N#CCC[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000438854212 945142175 /nfs/dbraw/zinc/14/21/75/945142175.db2.gz RDCWPLBBELDEJS-NHCUHLMSSA-N 1 0 362.477 3.605 20 30 FHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000582743935 936055690 /nfs/dbraw/zinc/05/56/90/936055690.db2.gz TVHHJEXBSUFTKI-UHFFFAOYSA-N 1 0 357.473 3.911 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000582757571 936082487 /nfs/dbraw/zinc/08/24/87/936082487.db2.gz IFOKCDUURVBZSI-INIZCTEOSA-N 1 0 356.470 3.947 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2)CC(F)F)CC1 ZINC000153320817 936107909 /nfs/dbraw/zinc/10/79/09/936107909.db2.gz LHRHADFSOFKTDY-UHFFFAOYSA-N 1 0 351.441 3.504 20 30 FHEDRO C=CCOCCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000657657760 936178376 /nfs/dbraw/zinc/17/83/76/936178376.db2.gz BHWICELGVNTOFM-UHFFFAOYSA-N 1 0 350.260 3.522 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000097595806 936199124 /nfs/dbraw/zinc/19/91/24/936199124.db2.gz NIJGLILIRZZUPB-HNNXBMFYSA-N 1 0 360.527 3.934 20 30 FHEDRO CC(C)[C@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000519128360 945154312 /nfs/dbraw/zinc/15/43/12/945154312.db2.gz PEZFXLSPJUSASZ-IRLDBZIGSA-N 1 0 352.478 3.522 20 30 FHEDRO C[NH+](C)Cc1cc(-c2noc(C3(c4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000583531342 938294841 /nfs/dbraw/zinc/29/48/41/938294841.db2.gz YDFKEVAOQPROBR-UHFFFAOYSA-N 1 0 362.408 3.889 20 30 FHEDRO Cn1cc(C[NH2+]CCc2ccc(F)cc2F)c(-c2ccc(C#N)cc2)n1 ZINC000583582862 938309829 /nfs/dbraw/zinc/30/98/29/938309829.db2.gz GVIRYGPNZJQVRC-UHFFFAOYSA-N 1 0 352.388 3.569 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000245954794 938326922 /nfs/dbraw/zinc/32/69/22/938326922.db2.gz BRIDJAAYTAMLKV-LRDDRELGSA-N 1 0 368.403 3.771 20 30 FHEDRO N#CCSCCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278358299 938336967 /nfs/dbraw/zinc/33/69/67/938336967.db2.gz RFXGDTNLBKLDSK-UHFFFAOYSA-N 1 0 374.428 3.827 20 30 FHEDRO CC(C)(C)Cc1nc2cc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccc2o1 ZINC000329305324 938337547 /nfs/dbraw/zinc/33/75/47/938337547.db2.gz ASHNZFBNTNFAST-OAHLLOKOSA-N 1 0 356.470 3.742 20 30 FHEDRO N#CC1(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC2(CC2)C1 ZINC000600965895 938348835 /nfs/dbraw/zinc/34/88/35/938348835.db2.gz WPSDWABHZLTWJM-UHFFFAOYSA-N 1 0 357.885 3.505 20 30 FHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246465928 938366012 /nfs/dbraw/zinc/36/60/12/938366012.db2.gz OGPKRHWJBQAEGO-ZWKOTPCHSA-N 1 0 357.450 3.941 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCc2nc3ccccc3n2C2CC2)cc1Cl ZINC000262353616 938405313 /nfs/dbraw/zinc/40/53/13/938405313.db2.gz GUYNIKDJNFROLK-UHFFFAOYSA-N 1 0 369.856 3.960 20 30 FHEDRO COc1ccc(C#N)cc1C[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000178975721 938417468 /nfs/dbraw/zinc/41/74/68/938417468.db2.gz QIOACIPOVHPCQN-OAHLLOKOSA-N 1 0 373.497 3.692 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]CC2(CC(N)=O)CCCCC2)ccc1OC ZINC000657798177 938443975 /nfs/dbraw/zinc/44/39/75/938443975.db2.gz WEQXJWRWOXSXMT-UHFFFAOYSA-N 1 0 360.498 3.566 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247252329 938452612 /nfs/dbraw/zinc/45/26/12/938452612.db2.gz WFGMKACGORUZGX-HOTGVXAUSA-N 1 0 358.511 3.640 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccccc1-c1ccc(Cl)cc1 ZINC000583930073 938486942 /nfs/dbraw/zinc/48/69/42/938486942.db2.gz OVOPVWJPGJUAAG-VQIMIIECSA-N 1 0 371.912 3.864 20 30 FHEDRO CC(C)(CC#N)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000458733542 938497766 /nfs/dbraw/zinc/49/77/66/938497766.db2.gz FRAWJBRPSBAWDY-GOSISDBHSA-N 1 0 356.514 3.526 20 30 FHEDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@@H]2C1 ZINC000583986674 938521965 /nfs/dbraw/zinc/52/19/65/938521965.db2.gz DQCICCCCSMTESJ-RGGVYVHCSA-N 1 0 365.521 3.627 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH2+]CCOCc2ccc(Cl)cc2)cc1 ZINC000158527249 938536390 /nfs/dbraw/zinc/53/63/90/938536390.db2.gz WFPADOAYCXWZLB-UHFFFAOYSA-N 1 0 357.885 3.996 20 30 FHEDRO N#Cc1ccc(CN2CCC(n3cc(Cl)cn3)CC2)c(OC(F)F)c1 ZINC000506009434 945187180 /nfs/dbraw/zinc/18/71/80/945187180.db2.gz VPRJXHMYROBHLQ-UHFFFAOYSA-N 1 0 366.799 3.847 20 30 FHEDRO C=CCn1c(SCC[N@H+]2C[C@H](C)C[C@H](C)C2)nnc1-c1ccccn1 ZINC000584064782 938580477 /nfs/dbraw/zinc/58/04/77/938580477.db2.gz NDHUOXIJOJAFAZ-IYBDPMFKSA-N 1 0 357.527 3.596 20 30 FHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278610128 938581729 /nfs/dbraw/zinc/58/17/29/938581729.db2.gz FJHZVBQOPPBCIT-CABCVRRESA-N 1 0 353.388 3.596 20 30 FHEDRO N#Cc1ccc(CN2CCC(c3ncccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000518192271 945188919 /nfs/dbraw/zinc/18/89/19/945188919.db2.gz ATVHYAQDXXGWTR-UHFFFAOYSA-N 1 0 356.813 3.894 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000052865819 938636724 /nfs/dbraw/zinc/63/67/24/938636724.db2.gz PDDKAMNVQINZRR-SFHVURJKSA-N 1 0 369.490 3.630 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000159342022 938659932 /nfs/dbraw/zinc/65/99/32/938659932.db2.gz GUTVPNVZJKDQAB-SFHVURJKSA-N 1 0 357.498 3.629 20 30 FHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCOc3ccccc32)c(-c2ccncc2)n1 ZINC000278697336 938664175 /nfs/dbraw/zinc/66/41/75/938664175.db2.gz QNXRPACJRCUXNG-GOSISDBHSA-N 1 0 373.460 3.515 20 30 FHEDRO CC(C)(C#N)CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000278757119 938816048 /nfs/dbraw/zinc/81/60/48/938816048.db2.gz QRUIKLCQHWLHCG-UHFFFAOYSA-N 1 0 370.497 3.770 20 30 FHEDRO CC1(C#N)CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000506018466 945207144 /nfs/dbraw/zinc/20/71/44/945207144.db2.gz WAAIINSLIWNPIT-HXUWFJFHSA-N 1 0 367.518 3.969 20 30 FHEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O ZINC000573231601 938828195 /nfs/dbraw/zinc/82/81/95/938828195.db2.gz MRNDWYAIWHRGBL-YOEHRIQHSA-N 1 0 369.440 3.731 20 30 FHEDRO C[N@H+](CCCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)Cc1ccccc1 ZINC000506012188 945210145 /nfs/dbraw/zinc/21/01/45/945210145.db2.gz LRIIUVPUAWVSFW-UHFFFAOYSA-N 1 0 367.468 3.613 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CC2(O)CCCCCC2)c1 ZINC000426225432 945210150 /nfs/dbraw/zinc/21/01/50/945210150.db2.gz YKJPNSRXXDUTNC-UHFFFAOYSA-N 1 0 371.525 3.567 20 30 FHEDRO Cc1ccc(-n2cc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cn2)c(C)c1 ZINC000329821189 938905555 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FHEDRO N#Cc1ccc(OCC[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000024246090 938967272 /nfs/dbraw/zinc/96/72/72/938967272.db2.gz CCTMZUUYWKYOJQ-UHFFFAOYSA-N 1 0 369.896 3.798 20 30 FHEDRO Cc1cnc([C@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000278776322 938967431 /nfs/dbraw/zinc/96/74/31/938967431.db2.gz YSNANCPNLCPCDT-CQSZACIVSA-N 1 0 366.494 3.517 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000157860600 938973403 /nfs/dbraw/zinc/97/34/03/938973403.db2.gz SVMHQDBBLLHXKJ-UHFFFAOYSA-N 1 0 366.465 3.729 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCc4ccc(Cl)cc43)C2=O)cc1 ZINC000507418791 945219514 /nfs/dbraw/zinc/21/95/14/945219514.db2.gz BQBYUQWGRYEKRT-WOJBJXKFSA-N 1 0 365.864 3.984 20 30 FHEDRO CC(C)[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)[C@H](O)C(F)(F)F ZINC000685413190 938984700 /nfs/dbraw/zinc/98/47/00/938984700.db2.gz OVKQPBOCZGKUNW-KBPBESRZSA-N 1 0 353.306 3.594 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000171721573 938990015 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Clc1ccccc1OCCO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255627262 939013611 /nfs/dbraw/zinc/01/36/11/939013611.db2.gz ZBOYFDVMOGQRLL-UHFFFAOYSA-N 1 0 360.841 3.606 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000091949075 939021467 /nfs/dbraw/zinc/02/14/67/939021467.db2.gz HWMZFCFDYJOEQT-SFHVURJKSA-N 1 0 356.510 3.722 20 30 FHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056332661 939141156 /nfs/dbraw/zinc/14/11/56/939141156.db2.gz HGYFYASNOWKTGV-KRWDZBQOSA-N 1 0 363.461 3.603 20 30 FHEDRO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000612174513 939192915 /nfs/dbraw/zinc/19/29/15/939192915.db2.gz CRFPZNWYKBSGPW-IFMALSPDSA-N 1 0 364.489 3.599 20 30 FHEDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507445754 945240697 /nfs/dbraw/zinc/24/06/97/945240697.db2.gz RGIFNPMXLRYLRQ-IERDGZPVSA-N 1 0 365.452 3.804 20 30 FHEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427280059 945248811 /nfs/dbraw/zinc/24/88/11/945248811.db2.gz KBDNPFAIDFVCJJ-GOSISDBHSA-N 1 0 353.514 3.690 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000660568761 945256458 /nfs/dbraw/zinc/25/64/58/945256458.db2.gz YBDINNQIZFMKBE-NHCUHLMSSA-N 1 0 355.526 3.549 20 30 FHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425791489 945259988 /nfs/dbraw/zinc/25/99/88/945259988.db2.gz UOSUBQDYEPFXHQ-FCEWJHQRSA-N 1 0 368.481 3.983 20 30 FHEDRO C=CCn1c(CC)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000518261640 945264584 /nfs/dbraw/zinc/26/45/84/945264584.db2.gz MWMLBMVKXOCCCG-IEBWSBKVSA-N 1 0 353.514 3.688 20 30 FHEDRO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)o1 ZINC000091962265 939885815 /nfs/dbraw/zinc/88/58/15/939885815.db2.gz SBCKUWAMLYMKEL-IERDGZPVSA-N 1 0 352.482 3.587 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179597108 939896291 /nfs/dbraw/zinc/89/62/91/939896291.db2.gz ZQERBOQAIHVVGE-ZDUSSCGKSA-N 1 0 362.376 3.898 20 30 FHEDRO COCC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000584321202 939906769 /nfs/dbraw/zinc/90/67/69/939906769.db2.gz KKMFSFOTTATLRB-UHFFFAOYSA-N 1 0 355.526 3.709 20 30 FHEDRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000179740982 939928058 /nfs/dbraw/zinc/92/80/58/939928058.db2.gz PKSDFTQAGBKYJR-QGZVFWFLSA-N 1 0 355.438 3.846 20 30 FHEDRO Cc1csc([C@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000278786809 939936229 /nfs/dbraw/zinc/93/62/29/939936229.db2.gz ZQLCSTAIJJOQAX-CQSZACIVSA-N 1 0 366.494 3.517 20 30 FHEDRO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc3c(c2)CCO3)cc1 ZINC000364504358 939953911 /nfs/dbraw/zinc/95/39/11/939953911.db2.gz OIEFMVBTBZJJSI-HSZRJFAPSA-N 1 0 373.456 3.719 20 30 FHEDRO COc1cccc(C2([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000364684235 939981974 /nfs/dbraw/zinc/98/19/74/939981974.db2.gz DTJHBWGDXZVJGC-UHFFFAOYSA-N 1 0 358.445 3.746 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000612302694 939982883 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/nfs/dbraw/zinc/24/54/70/940245470.db2.gz KHIIMZSNTWRAMR-QGZVFWFLSA-N 1 0 360.461 3.880 20 30 FHEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310641273 940257677 /nfs/dbraw/zinc/25/76/77/940257677.db2.gz CJBLJNDGMRSPJB-KURKYZTESA-N 1 0 352.519 3.737 20 30 FHEDRO COc1ccc(C)cc1CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180036556 940298797 /nfs/dbraw/zinc/29/87/97/940298797.db2.gz ZMSVKSOXTUGFBU-UHFFFAOYSA-N 1 0 360.461 3.608 20 30 FHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@]1(C)CC1(F)F ZINC000926705650 940307522 /nfs/dbraw/zinc/30/75/22/940307522.db2.gz PVQHBQGNJBTEBK-PBHICJAKSA-N 1 0 371.472 3.941 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@]3(CCCCO3)C2)c(-c2ccccc2)n1 ZINC000376118943 940335195 /nfs/dbraw/zinc/33/51/95/940335195.db2.gz VGUBZBSZAUEXJB-QFIPXVFZSA-N 1 0 364.493 3.999 20 30 FHEDRO N#CC1(NC(=O)Cc2coc3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000376127379 940340704 /nfs/dbraw/zinc/34/07/04/940340704.db2.gz NUDOJHAASJKZMD-UHFFFAOYSA-N 1 0 373.456 3.650 20 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ZINC000581117392 940495761 /nfs/dbraw/zinc/49/57/61/940495761.db2.gz OUJIHTIQPVNGOR-LNCBFAARSA-N 1 0 357.523 3.994 20 30 FHEDRO CN1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581398428 940501348 /nfs/dbraw/zinc/50/13/48/940501348.db2.gz NVOSJOASUJVYOB-PMACEKPBSA-N 1 0 373.859 3.765 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431789517 940504704 /nfs/dbraw/zinc/50/47/04/940504704.db2.gz SCFOBKGCGLERLQ-NRFANRHFSA-N 1 0 352.478 3.903 20 30 FHEDRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC#N)cc1 ZINC000172473378 940506847 /nfs/dbraw/zinc/50/68/47/940506847.db2.gz DFQKKPVCBNBHLC-DLBZAZTESA-N 1 0 373.497 3.887 20 30 FHEDRO COc1ccc(C[C@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)cc1 ZINC000581580598 940509411 /nfs/dbraw/zinc/50/94/11/940509411.db2.gz IVKRDNKVLOSQIO-HXUWFJFHSA-N 1 0 350.462 3.900 20 30 FHEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414117118 940607646 /nfs/dbraw/zinc/60/76/46/940607646.db2.gz YQDRYNBSSBVBLE-HRAATJIYSA-N 1 0 363.461 3.722 20 30 FHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000729434349 945334132 /nfs/dbraw/zinc/33/41/32/945334132.db2.gz WMPMTAIJAPNIKA-UHFFFAOYSA-N 1 0 366.509 3.626 20 30 FHEDRO C[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000431812687 940637101 /nfs/dbraw/zinc/63/71/01/940637101.db2.gz UPOUZZBCOUHBBH-QWFCFKBJSA-N 1 0 356.514 3.984 20 30 FHEDRO N#Cc1ccc2ncc(C[N@H+](CCc3ccccc3)Cc3ccncc3)n2c1 ZINC000582089486 940652510 /nfs/dbraw/zinc/65/25/10/940652510.db2.gz HTFNCSIWMCLEQC-UHFFFAOYSA-N 1 0 367.456 3.846 20 30 FHEDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1Br ZINC000613388550 940657571 /nfs/dbraw/zinc/65/75/71/940657571.db2.gz AXXQGMZDHGVHKN-SCLBCKFNSA-N 1 0 359.267 3.575 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000582461555 940667278 /nfs/dbraw/zinc/66/72/78/940667278.db2.gz ZHOWARRDVOAYFI-BHDDXSALSA-N 1 0 353.510 3.559 20 30 FHEDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000582638290 940774938 /nfs/dbraw/zinc/77/49/38/940774938.db2.gz XVPQPJSEBWRVBH-HNNXBMFYSA-N 1 0 352.356 3.907 20 30 FHEDRO CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000330082157 945348392 /nfs/dbraw/zinc/34/83/92/945348392.db2.gz ANMKVXUCHZLUGS-IAGOWNOFSA-N 1 0 363.546 3.635 20 30 FHEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000180188778 940787372 /nfs/dbraw/zinc/78/73/72/940787372.db2.gz YIWBNUBLACSHKT-MOPGFXCFSA-N 1 0 352.482 3.594 20 30 FHEDRO N#Cc1cccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000540916915 940790783 /nfs/dbraw/zinc/79/07/83/940790783.db2.gz LGKXZCWBUKXTIM-QGZVFWFLSA-N 1 0 360.244 3.760 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cc2c(cc1Br)OCCO2 ZINC000248869510 940810548 /nfs/dbraw/zinc/81/05/48/940810548.db2.gz QKQOVPABHUKOOF-XQQFMLRXSA-N 1 0 365.271 3.953 20 30 FHEDRO CC[C@@H](O)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000180205702 940818719 /nfs/dbraw/zinc/81/87/19/940818719.db2.gz PLWXYKZICIXVIC-JOCHJYFZSA-N 1 0 374.488 3.732 20 30 FHEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)CCOc3ccc(C#N)cc3OC)C2)c1 ZINC000452021847 940821658 /nfs/dbraw/zinc/82/16/58/940821658.db2.gz UMEYLBLSVFQOAL-WGSAOQKQSA-N 1 0 366.461 3.832 20 30 FHEDRO CC[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@@]2(CCOC2)O1 ZINC000330089875 945351226 /nfs/dbraw/zinc/35/12/26/945351226.db2.gz WETDHFJOLZSCOE-HLAWJBBLSA-N 1 0 360.498 3.610 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCc4sccc43)C2=O)cc1 ZINC000540953513 940903668 /nfs/dbraw/zinc/90/36/68/940903668.db2.gz ZHMDVQLZGIEPRP-MSOLQXFVSA-N 1 0 351.475 3.782 20 30 FHEDRO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000440252664 945360380 /nfs/dbraw/zinc/36/03/80/945360380.db2.gz FKWRLGYVTIPUJX-GOSISDBHSA-N 1 0 371.525 3.861 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892605968 940933594 /nfs/dbraw/zinc/93/35/94/940933594.db2.gz BYXJJNCARCHKOG-BTTYYORXSA-N 1 0 353.919 3.630 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000249196405 940934182 /nfs/dbraw/zinc/93/41/82/940934182.db2.gz RBSGGGAJYIEOLF-YXJHDRRASA-N 1 0 355.400 3.833 20 30 FHEDRO CCOc1ccc(C#N)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000180319139 940958592 /nfs/dbraw/zinc/95/85/92/940958592.db2.gz HIRYMLZTKJODQZ-UHFFFAOYSA-N 1 0 360.461 3.905 20 30 FHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000376425859 940972189 /nfs/dbraw/zinc/97/21/89/940972189.db2.gz JILQGVBXYCKAQK-FXAWDEMLSA-N 1 0 364.493 3.501 20 30 FHEDRO Cc1ccc([C@H](NC(=O)CN2C[C@H](C)O[C@@]3(CCCOC3)C2)C2CC2)cc1 ZINC000330123326 945365480 /nfs/dbraw/zinc/36/54/80/945365480.db2.gz KTNZRISFCALJCX-HSQYWUDLSA-N 1 0 372.509 3.673 20 30 FHEDRO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000180365086 940989450 /nfs/dbraw/zinc/98/94/50/940989450.db2.gz UPVVMNATZOJCDS-HNNXBMFYSA-N 1 0 366.273 3.822 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C(C)C)[C@H](C)C1 ZINC000584511718 941018522 /nfs/dbraw/zinc/01/85/22/941018522.db2.gz KCPOOBLPGMWEDQ-APWZRJJASA-N 1 0 366.513 3.564 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000376473128 941066040 /nfs/dbraw/zinc/06/60/40/941066040.db2.gz RJQXKBXVSYIQGV-UYAOXDASSA-N 1 0 352.482 3.965 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-c2ccncc2)cc1 ZINC000180908310 941090006 /nfs/dbraw/zinc/09/00/06/941090006.db2.gz PHKPXYDQVGWNOB-CQSZACIVSA-N 1 0 362.458 3.971 20 30 FHEDRO C#CCSCC[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000181095213 941109154 /nfs/dbraw/zinc/10/91/54/941109154.db2.gz UKWHZYFOVWBATE-INIZCTEOSA-N 1 0 356.329 3.873 20 30 FHEDRO N#Cc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)c(Br)c1 ZINC000181117935 941109997 /nfs/dbraw/zinc/10/99/97/941109997.db2.gz AIASIATWGGJXRF-UHFFFAOYSA-N 1 0 362.315 3.771 20 30 FHEDRO CC[N@H+](CCC(=O)N1CCc2ccccc2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000188975312 941137416 /nfs/dbraw/zinc/13/74/16/941137416.db2.gz WUHVHRITXOHJDM-SFHVURJKSA-N 1 0 361.489 3.916 20 30 FHEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000181370365 941138598 /nfs/dbraw/zinc/13/85/98/941138598.db2.gz YNSAIFXKASGGHK-QGZVFWFLSA-N 1 0 363.461 3.805 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000177916798 941153077 /nfs/dbraw/zinc/15/30/77/941153077.db2.gz LDEGASLMBWEOOI-BEFAXECRSA-N 1 0 366.440 3.872 20 30 FHEDRO C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181502189 941355876 /nfs/dbraw/zinc/35/58/76/941355876.db2.gz UOQWOLDEPJEXKE-VQIMIIECSA-N 1 0 371.550 3.561 20 30 FHEDRO C[C@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181502169 941355992 /nfs/dbraw/zinc/35/59/92/941355992.db2.gz UOQWOLDEPJEXKE-QFBILLFUSA-N 1 0 371.550 3.561 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000181524433 941366659 /nfs/dbraw/zinc/36/66/59/941366659.db2.gz KIOJUPUESGEXCG-QGZVFWFLSA-N 1 0 351.450 3.607 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181537074 941366976 /nfs/dbraw/zinc/36/69/76/941366976.db2.gz CCRZEPHXNFQKKF-GJZGRUSLSA-N 1 0 369.490 3.933 20 30 FHEDRO N#CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000110388461 941381201 /nfs/dbraw/zinc/38/12/01/941381201.db2.gz ZKMANXOHQRPIBW-IHWFROFDSA-N 1 0 351.494 3.772 20 30 FHEDRO C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(OCC#N)cc1 ZINC000181800286 941386442 /nfs/dbraw/zinc/38/64/42/941386442.db2.gz WKAJENCAIJYFAE-RDTXWAMCSA-N 1 0 359.470 3.543 20 30 FHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000376852479 941452386 /nfs/dbraw/zinc/45/23/86/941452386.db2.gz SMMVHFRDFTXOTQ-QGZVFWFLSA-N 1 0 363.461 3.828 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C[NH3+])C3)cc2Cl)cc1 ZINC000414959970 941528627 /nfs/dbraw/zinc/52/86/27/941528627.db2.gz GIQRLUYARSJYBL-CQSZACIVSA-N 1 0 370.840 3.816 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000415001050 941535171 /nfs/dbraw/zinc/53/51/71/941535171.db2.gz BZSSNGJAHAZIDC-INIZCTEOSA-N 1 0 364.449 3.943 20 30 FHEDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415004726 941541835 /nfs/dbraw/zinc/54/18/35/941541835.db2.gz IFEIHWZWPLTDSZ-QGZVFWFLSA-N 1 0 352.438 3.990 20 30 FHEDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000415015050 941542340 /nfs/dbraw/zinc/54/23/40/941542340.db2.gz XUJDYEXNVAAMGQ-OAHLLOKOSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H](CCNC(=O)N[C@@H](C)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000472680296 941553877 /nfs/dbraw/zinc/55/38/77/941553877.db2.gz YPUXRMFACDQOAY-MSOLQXFVSA-N 1 0 364.493 3.829 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC000415031791 941555792 /nfs/dbraw/zinc/55/57/92/941555792.db2.gz FLYSYRVQTKGHHV-DLBZAZTESA-N 1 0 364.449 3.990 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2)cc1 ZINC000415040930 941560474 /nfs/dbraw/zinc/56/04/74/941560474.db2.gz OTLNSLJWWIQILD-RDJZCZTQSA-N 1 0 350.422 3.599 20 30 FHEDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415046194 941569124 /nfs/dbraw/zinc/56/91/24/941569124.db2.gz UMXYYSPFBRAIMP-FQEVSTJZSA-N 1 0 352.438 3.845 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415054115 941572460 /nfs/dbraw/zinc/57/24/60/941572460.db2.gz FEBUCIQEJTWIFN-QGZVFWFLSA-N 1 0 374.391 3.763 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000415061854 941580667 /nfs/dbraw/zinc/58/06/67/941580667.db2.gz LLXXIPQYNOZOGU-FQEVSTJZSA-N 1 0 364.449 3.860 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000415063422 941580690 /nfs/dbraw/zinc/58/06/90/941580690.db2.gz OYNFQRFXPGYAHK-MGPUTAFESA-N 1 0 364.449 3.779 20 30 FHEDRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000549173445 941581517 /nfs/dbraw/zinc/58/15/17/941581517.db2.gz PQZJNTMAMOFHHN-KBXCAEBGSA-N 1 0 353.491 3.806 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC000415143417 941628801 /nfs/dbraw/zinc/62/88/01/941628801.db2.gz AVAULTBHFMPKPR-RHSMWYFYSA-N 1 0 350.422 3.613 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[C@@H]1[NH3+] ZINC000415150548 941630446 /nfs/dbraw/zinc/63/04/46/941630446.db2.gz QIGWZCPZIOEXJB-KUHUBIRLSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[NH2+]1 ZINC000415153906 941636931 /nfs/dbraw/zinc/63/69/31/941636931.db2.gz DEZBNPAGRYJPIP-WMLDXEAASA-N 1 0 350.422 3.613 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[NH2+]1 ZINC000415153909 941636978 /nfs/dbraw/zinc/63/69/78/941636978.db2.gz DEZBNPAGRYJPIP-YOEHRIQHSA-N 1 0 350.422 3.613 20 30 FHEDRO CC[NH2+]CC1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000415155030 941637759 /nfs/dbraw/zinc/63/77/59/941637759.db2.gz FBIBEEQQNPZZNY-HNNXBMFYSA-N 1 0 360.527 3.792 20 30 FHEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415156403 941637813 /nfs/dbraw/zinc/63/78/13/941637813.db2.gz GINXMESVPSOGIR-HXUWFJFHSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415155670 941637859 /nfs/dbraw/zinc/63/78/59/941637859.db2.gz FPPDEMDIMMCQRZ-OAHLLOKOSA-N 1 0 358.511 3.688 20 30 FHEDRO CC[NH2+]CC1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000415158914 941642369 /nfs/dbraw/zinc/64/23/69/941642369.db2.gz JCILXCMZRPQOPQ-OAHLLOKOSA-N 1 0 360.527 3.934 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[C@@H]1[NH3+] ZINC000415169009 941646191 /nfs/dbraw/zinc/64/61/91/941646191.db2.gz VPJSBFIGGHYOOB-LIRRHRJNSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415164956 941647485 /nfs/dbraw/zinc/64/74/85/941647485.db2.gz QIKDOCMLIPEYTQ-QXSJWSMHSA-N 1 0 358.511 3.529 20 30 FHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)c2ccc(F)cc2)c1 ZINC000613666846 941659779 /nfs/dbraw/zinc/65/97/79/941659779.db2.gz GHTJXOSAZIFIOJ-HEFCMCLBSA-N 1 0 372.465 3.600 20 30 FHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000181547375 941668045 /nfs/dbraw/zinc/66/80/45/941668045.db2.gz ALQGODWJALHXBH-GOSISDBHSA-N 1 0 353.853 3.761 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[C@H]1[NH3+] ZINC000415236424 941691338 /nfs/dbraw/zinc/69/13/38/941691338.db2.gz FTSNTGSCKSCNAQ-SUMWQHHRSA-N 1 0 368.412 3.691 20 30 FHEDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415237371 941692391 /nfs/dbraw/zinc/69/23/91/941692391.db2.gz IFEJXZKQBVRLJB-MRXNPFEDSA-N 1 0 356.401 3.594 20 30 FHEDRO CC1(C)CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[NH2+]1 ZINC000415239612 941698652 /nfs/dbraw/zinc/69/86/52/941698652.db2.gz OMTDKVJIWATWIM-UHFFFAOYSA-N 1 0 368.412 3.705 20 30 FHEDRO Cc1ccncc1CCC[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000290290572 941707254 /nfs/dbraw/zinc/70/72/54/941707254.db2.gz GYAPTVPODJBNBR-UHFFFAOYSA-N 1 0 350.466 3.569 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 ZINC000047544361 941755302 /nfs/dbraw/zinc/75/53/02/941755302.db2.gz RKMOCXMXLKVWOY-KRWDZBQOSA-N 1 0 363.461 3.950 20 30 FHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1c[nH]nc1-c1cccs1 ZINC000583780191 941820608 /nfs/dbraw/zinc/82/06/08/941820608.db2.gz DYZOIUWKXRBCFK-UHFFFAOYSA-N 1 0 352.463 3.658 20 30 FHEDRO COc1cc(C[N@@H+](C)C[C@@H](C)OC)ccc1OCc1cccc(C#N)c1 ZINC000513316316 941851481 /nfs/dbraw/zinc/85/14/81/941851481.db2.gz CTEQYXHGJKQXNV-MRXNPFEDSA-N 1 0 354.450 3.613 20 30 FHEDRO COc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3OC)C2)cc1C#N ZINC000513377951 941875679 /nfs/dbraw/zinc/87/56/79/941875679.db2.gz XQTLYDAPPBCTME-SFHVURJKSA-N 1 0 352.434 3.619 20 30 FHEDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415530740 941881240 /nfs/dbraw/zinc/88/12/40/941881240.db2.gz DCTYJSAJDFDCKJ-OAHLLOKOSA-N 1 0 352.438 3.990 20 30 FHEDRO C[C@H](NC(=[NH2+])NCc1nccc(C(F)F)n1)c1ccc(Cl)cc1Cl ZINC000262342159 941885220 /nfs/dbraw/zinc/88/52/20/941885220.db2.gz YVFHIKVDQRSTND-QMMMGPOBSA-N 1 0 374.222 3.887 20 30 FHEDRO N#Cc1cc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)ccc1Oc1ccccc1 ZINC000415539255 941886981 /nfs/dbraw/zinc/88/69/81/941886981.db2.gz UWGDFVQFQDITIR-RDJZCZTQSA-N 1 0 364.449 3.990 20 30 FHEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000377670379 941889083 /nfs/dbraw/zinc/88/90/83/941889083.db2.gz GXAPURSBVYJWPP-LJQANCHMSA-N 1 0 352.482 3.738 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415536214 941889208 /nfs/dbraw/zinc/88/92/08/941889208.db2.gz NDMHMHMOOQIHRG-HUUCEWRRSA-N 1 0 350.422 3.552 20 30 FHEDRO COCCN(Cc1ccc(C#N)cc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000728707929 941919639 /nfs/dbraw/zinc/91/96/39/941919639.db2.gz WDGLYGWLCKMGTH-UHFFFAOYSA-N 1 0 364.424 3.667 20 30 FHEDRO CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000513456086 941933631 /nfs/dbraw/zinc/93/36/31/941933631.db2.gz OUBMSSLDHHNFFM-JOCHJYFZSA-N 1 0 361.489 3.806 20 30 FHEDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000377723454 941939774 /nfs/dbraw/zinc/93/97/74/941939774.db2.gz OXLHLJSQYZFRIO-UHFFFAOYSA-N 1 0 367.474 3.504 20 30 FHEDRO N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCCc4nccn43)c2)c1 ZINC000377727556 941945817 /nfs/dbraw/zinc/94/58/17/941945817.db2.gz RUJJMQQESCRFGO-FQEVSTJZSA-N 1 0 372.428 3.850 20 30 FHEDRO C=C(C)[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(F)c(F)c1 ZINC000433910403 941980098 /nfs/dbraw/zinc/98/00/98/941980098.db2.gz FLBINSRRSNCRJE-QFBILLFUSA-N 1 0 363.452 3.898 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)cc1 ZINC000728712201 941986174 /nfs/dbraw/zinc/98/61/74/941986174.db2.gz YLYJKPOEBSFQIH-JKSUJKDBSA-N 1 0 352.434 3.817 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)cc1OCCCC#N ZINC000377830232 942023156 /nfs/dbraw/zinc/02/31/56/942023156.db2.gz BXUOHMANJWVVKO-SFHVURJKSA-N 1 0 368.481 3.550 20 30 FHEDRO C=CCOc1cccc(C[NH2+]C[C@H](c2ccc(C)cc2)N2CCOCC2)c1 ZINC000513632505 942046439 /nfs/dbraw/zinc/04/64/39/942046439.db2.gz QTNOWRSARBYPFT-HSZRJFAPSA-N 1 0 366.505 3.723 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000513656130 942058235 /nfs/dbraw/zinc/05/82/35/942058235.db2.gz QCEBTSJXSGYCLA-OAHLLOKOSA-N 1 0 350.422 3.786 20 30 FHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000415802061 942058964 /nfs/dbraw/zinc/05/89/64/942058964.db2.gz HKIZCQALFOTBAN-GFCCVEGCSA-N 1 0 370.291 3.653 20 30 FHEDRO COC(=O)c1csc([C@H](C)[NH2+]CCSCc2ccccc2C#N)c1 ZINC000513660099 942060685 /nfs/dbraw/zinc/06/06/85/942060685.db2.gz FRDDSFLWGWFKFX-ZDUSSCGKSA-N 1 0 360.504 3.990 20 30 FHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2C)c1C#N ZINC000501897887 942112907 /nfs/dbraw/zinc/11/29/07/942112907.db2.gz FYTDVMZITDOJRQ-KUHUBIRLSA-N 1 0 350.466 3.683 20 30 FHEDRO Cc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(-c2cnn(C)c2)c1 ZINC000549384742 942113649 /nfs/dbraw/zinc/11/36/49/942113649.db2.gz IKKLJCCHILWYCZ-UHFFFAOYSA-N 1 0 371.488 3.589 20 30 FHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415907058 942135237 /nfs/dbraw/zinc/13/52/37/942135237.db2.gz MGVHSCAXCOGDHA-UHFFFAOYSA-N 1 0 368.437 3.924 20 30 FHEDRO C[C@@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000513690732 942150678 /nfs/dbraw/zinc/15/06/78/942150678.db2.gz LLNLAPPIBAHGOQ-MRXNPFEDSA-N 1 0 367.880 3.948 20 30 FHEDRO CC[NH+]=C(NCc1c(C)noc1C)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000261803676 942199471 /nfs/dbraw/zinc/19/94/71/942199471.db2.gz HEKQAXLPBZMRPM-UHFFFAOYSA-N 1 0 367.497 3.953 20 30 FHEDRO C=C(C)[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000420841959 942225513 /nfs/dbraw/zinc/22/55/13/942225513.db2.gz VOGZTVDUKCWXOS-JMLCCBQJSA-N 1 0 351.441 3.754 20 30 FHEDRO C[C@H](C[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501037523 942279470 /nfs/dbraw/zinc/27/94/70/942279470.db2.gz QNKABQICEKAKJS-OAHLLOKOSA-N 1 0 374.410 3.898 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCC34CCOCC4)C2)c(F)c1 ZINC000502291597 942335925 /nfs/dbraw/zinc/33/59/25/942335925.db2.gz VFDNTHKNXCHIDM-PXNSSMCTSA-N 1 0 357.473 3.605 20 30 FHEDRO N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)c2)cc1 ZINC000108304028 942341437 /nfs/dbraw/zinc/34/14/37/942341437.db2.gz PRCMEFXGDIBNPO-IBGZPJMESA-N 1 0 361.445 3.565 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000416102303 942348146 /nfs/dbraw/zinc/34/81/46/942348146.db2.gz ODLCSKHROOXZCT-VXKWHMMOSA-N 1 0 359.473 3.716 20 30 FHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000501207899 942352642 /nfs/dbraw/zinc/35/26/42/942352642.db2.gz IPDGYDSFRRHSSX-UHFFFAOYSA-N 1 0 367.424 3.557 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+](CCO)C2CCCC2)c1 ZINC000505289634 942449798 /nfs/dbraw/zinc/44/97/98/942449798.db2.gz KHSSOIFQQXGUTL-UHFFFAOYSA-N 1 0 350.462 3.874 20 30 FHEDRO C[NH+](C)[C@@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000416185340 942452803 /nfs/dbraw/zinc/45/28/03/942452803.db2.gz UJYXIAXNUCHERD-QFIPXVFZSA-N 1 0 359.473 3.867 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000549407392 942480838 /nfs/dbraw/zinc/48/08/38/942480838.db2.gz FIHYVWRQYVPLBK-LJQANCHMSA-N 1 0 362.429 3.542 20 30 FHEDRO CC[NH+]1CCN(c2ccc(NCc3ccc(C#N)c(F)c3)c(C)c2)CC1 ZINC000421321105 942481513 /nfs/dbraw/zinc/48/15/13/942481513.db2.gz QSQUZEKOINOEDQ-UHFFFAOYSA-N 1 0 352.457 3.760 20 30 FHEDRO CC[C@@H]1C[C@@]1([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(C)c1 ZINC000502506281 942483984 /nfs/dbraw/zinc/48/39/84/942483984.db2.gz GDBZJMSKLLOQIR-CBQOVEMMSA-N 1 0 350.462 3.521 20 30 FHEDRO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000424980313 942485391 /nfs/dbraw/zinc/48/53/91/942485391.db2.gz UZVJYKXDHRAXOA-XKQJLSEDSA-N 1 0 367.415 3.897 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cc1F ZINC000421328521 942486424 /nfs/dbraw/zinc/48/64/24/942486424.db2.gz STKRSZBVMBLZNX-INIZCTEOSA-N 1 0 374.257 3.828 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1C(F)(F)F ZINC000894247169 942492277 /nfs/dbraw/zinc/49/22/77/942492277.db2.gz SDPKZMJWDAGQJP-UIEKQHFFSA-N 1 0 360.420 3.816 20 30 FHEDRO C=CCC[N@@H+](C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000467296186 942496327 /nfs/dbraw/zinc/49/63/27/942496327.db2.gz ZXTQKASKRKRIAW-LJQANCHMSA-N 1 0 351.450 3.774 20 30 FHEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421348109 942501274 /nfs/dbraw/zinc/50/12/74/942501274.db2.gz FAMXTXZPMIDZRZ-LLVKDONJSA-N 1 0 363.870 3.789 20 30 FHEDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(C#N)s1 ZINC000421355467 942505452 /nfs/dbraw/zinc/50/54/52/942505452.db2.gz ZKAZIMCFFZFIKX-ZDUSSCGKSA-N 1 0 361.898 3.800 20 30 FHEDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)N2CCCC2)c1 ZINC000421335755 942507874 /nfs/dbraw/zinc/50/78/74/942507874.db2.gz UHPKAIKODYOLGW-OAQYLSRUSA-N 1 0 353.441 3.633 20 30 FHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cccc(F)c3C#N)sc2C1 ZINC000425042436 942515898 /nfs/dbraw/zinc/51/58/98/942515898.db2.gz PRXSOBRSJCCWIQ-UHFFFAOYSA-N 1 0 358.442 3.563 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502544808 942523186 /nfs/dbraw/zinc/52/31/86/942523186.db2.gz GMLFAPZPIJTFHZ-FQEVSTJZSA-N 1 0 356.853 3.712 20 30 FHEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(OCC#N)cc1 ZINC000181487705 942556555 /nfs/dbraw/zinc/55/65/55/942556555.db2.gz OIUJWRWJLLOXGZ-GOSISDBHSA-N 1 0 350.462 3.988 20 30 FHEDRO N#Cc1ccc(OCC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC000502598286 942570791 /nfs/dbraw/zinc/57/07/91/942570791.db2.gz ZEIZFUXYPUUYHS-FQEVSTJZSA-N 1 0 356.853 3.582 20 30 FHEDRO C=C(C)[C@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)OCC ZINC000425076771 942642013 /nfs/dbraw/zinc/64/20/13/942642013.db2.gz GOHSATNDENIFIS-AWEZNQCLSA-N 1 0 351.516 3.610 20 30 FHEDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(C#N)cc1Br ZINC000481147263 942698432 /nfs/dbraw/zinc/69/84/32/942698432.db2.gz UMNHSSASEJQADL-UHFFFAOYSA-N 1 0 353.260 3.532 20 30 FHEDRO CC[NH+](CC)[C@H](C(=O)NCC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000416346241 942701092 /nfs/dbraw/zinc/70/10/92/942701092.db2.gz KGZVVXFEFNPVOC-INIZCTEOSA-N 1 0 367.415 3.898 20 30 FHEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 ZINC000502767598 942727093 /nfs/dbraw/zinc/72/70/93/942727093.db2.gz OQGUNWUBBFZSNT-NRFANRHFSA-N 1 0 373.497 3.729 20 30 FHEDRO CCN(CC)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CC(C)C ZINC000514105595 942748773 /nfs/dbraw/zinc/74/87/73/942748773.db2.gz SJIRAGJJXZSLKP-JOCHJYFZSA-N 1 0 356.558 3.873 20 30 FHEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000421702655 942758093 /nfs/dbraw/zinc/75/80/93/942758093.db2.gz KKQDPQHHOCDDGV-LJQANCHMSA-N 1 0 363.461 3.711 20 30 FHEDRO C=CCN(C(=O)N[C@H](C)c1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363823409 942762522 /nfs/dbraw/zinc/76/25/22/942762522.db2.gz NXBXJNNEUFLNLV-UYAOXDASSA-N 1 0 364.493 3.615 20 30 FHEDRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000378459320 942793286 /nfs/dbraw/zinc/79/32/86/942793286.db2.gz ZCLCLBPNVWUNIY-BURNTYAHSA-N 1 0 372.509 3.740 20 30 FHEDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)cc1 ZINC000378466126 942802140 /nfs/dbraw/zinc/80/21/40/942802140.db2.gz ZFXCDCJXGQCWHW-WTGUMLROSA-N 1 0 355.482 3.755 20 30 FHEDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000434615170 942802470 /nfs/dbraw/zinc/80/24/70/942802470.db2.gz CMPPNIBNIGUAHR-PZJWPPBQSA-N 1 0 356.441 3.766 20 30 FHEDRO CCCCCCCCCCC(=O)N1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001269832500 942841903 /nfs/dbraw/zinc/84/19/03/942841903.db2.gz MIMZBOAYQOJAPV-UHFFFAOYSA-N 1 0 351.579 3.613 20 30 FHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000181605120 942864644 /nfs/dbraw/zinc/86/46/44/942864644.db2.gz XCQLMRGXACMFQA-SFHVURJKSA-N 1 0 361.445 3.661 20 30 FHEDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000473550943 942895958 /nfs/dbraw/zinc/89/59/58/942895958.db2.gz MFNLSRBXDZGLTK-MRXNPFEDSA-N 1 0 350.466 3.762 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000434725859 942896921 /nfs/dbraw/zinc/89/69/21/942896921.db2.gz JRSNKWARTJYVIU-INIZCTEOSA-N 1 0 351.450 3.979 20 30 FHEDRO Cc1oc(NC(=O)C[N@@H+](CCc2ccccc2)CC(C)C)c(C#N)c1C ZINC000434732217 942900551 /nfs/dbraw/zinc/90/05/51/942900551.db2.gz KWILLHRLQVAWSG-UHFFFAOYSA-N 1 0 353.466 3.907 20 30 FHEDRO CC[C@@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000505508900 942945003 /nfs/dbraw/zinc/94/50/03/942945003.db2.gz YHYZMZWGHBBSEP-UXHICEINSA-N 1 0 356.514 3.600 20 30 FHEDRO C=CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(C#N)c1 ZINC000434825378 942981607 /nfs/dbraw/zinc/98/16/07/942981607.db2.gz IERDZAINVJLFIL-UHFFFAOYSA-N 1 0 355.388 3.853 20 30 FHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000236685494 942987079 /nfs/dbraw/zinc/98/70/79/942987079.db2.gz OPRCSHKXUPGMQX-NRFANRHFSA-N 1 0 352.478 3.999 20 30 FHEDRO CC[C@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505558103 943026525 /nfs/dbraw/zinc/02/65/25/943026525.db2.gz OZRJAUOGLKZXLG-LEWJYISDSA-N 1 0 368.525 3.744 20 30 FHEDRO COc1ccc(CNc2c[nH+]ccc2-n2cccn2)cc1OCCCC#N ZINC000271831157 943057624 /nfs/dbraw/zinc/05/76/24/943057624.db2.gz OVWMZOOZHHSEBV-UHFFFAOYSA-N 1 0 363.421 3.571 20 30 FHEDRO COc1cc([C@H](C)[NH2+]CCCSCC#N)ccc1OCc1ccncc1 ZINC000271839543 943058762 /nfs/dbraw/zinc/05/87/62/943058762.db2.gz YHNCIJSFLSKTEG-INIZCTEOSA-N 1 0 371.506 3.967 20 30 FHEDRO C=CCOc1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000434980834 943074369 /nfs/dbraw/zinc/07/43/69/943074369.db2.gz BUPWEZAHETWQAC-HXUWFJFHSA-N 1 0 352.478 3.749 20 30 FHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C1(CC)CC ZINC000434984705 943086038 /nfs/dbraw/zinc/08/60/38/943086038.db2.gz BRTXDGWFCDKKBK-CVEARBPZSA-N 1 0 363.527 3.864 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(NCc3ccc(C#N)cc3F)c2)CC1 ZINC000503265090 943092580 /nfs/dbraw/zinc/09/25/80/943092580.db2.gz GGXNWGWLOBIVLK-UHFFFAOYSA-N 1 0 352.457 3.840 20 30 FHEDRO N#Cc1cccc(OCCC[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000503269794 943093513 /nfs/dbraw/zinc/09/35/13/943093513.db2.gz QHJHDJKKWBDWBG-JOCHJYFZSA-N 1 0 373.456 3.520 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCc2ccccc2N2CCCCC2)cc1OC ZINC000272106521 943095693 /nfs/dbraw/zinc/09/56/93/943095693.db2.gz NKDPHQKIYTUXRM-UHFFFAOYSA-N 1 0 368.481 3.621 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000435037229 943104077 /nfs/dbraw/zinc/10/40/77/943104077.db2.gz XHEIOGGIJDCJLS-OAQYLSRUSA-N 1 0 361.489 3.571 20 30 FHEDRO C[C@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272222069 943116673 /nfs/dbraw/zinc/11/66/73/943116673.db2.gz CFCLKMOOUVIBFP-PXNSSMCTSA-N 1 0 362.477 3.785 20 30 FHEDRO CC(C)(CC[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000422555842 943178234 /nfs/dbraw/zinc/17/82/34/943178234.db2.gz BXVAAJBTJMMXRO-UHFFFAOYSA-N 1 0 356.401 3.739 20 30 FHEDRO CC1(C#N)CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000272575644 943180122 /nfs/dbraw/zinc/18/01/22/943180122.db2.gz NMULEWIMBCNEJU-UHFFFAOYSA-N 1 0 361.489 3.908 20 30 FHEDRO COCC[C@@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)c1ccco1 ZINC000272577324 943180304 /nfs/dbraw/zinc/18/03/04/943180304.db2.gz PIFJPVXJWYBULU-QGZVFWFLSA-N 1 0 358.438 3.838 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+][C@@H](c3cccc(C(F)(F)F)c3)C3CC3)cnc12 ZINC000514674051 943205861 /nfs/dbraw/zinc/20/58/61/943205861.db2.gz WMDDGHIGMWGSNQ-QGZVFWFLSA-N 1 0 371.366 3.861 20 30 FHEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2OCCC(C)C)c1C#N ZINC000514707038 943235866 /nfs/dbraw/zinc/23/58/66/943235866.db2.gz VNIFICNOANYEGD-WOJBJXKFSA-N 1 0 358.482 3.808 20 30 FHEDRO CCOC(=O)COc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425365260 943372898 /nfs/dbraw/zinc/37/28/98/943372898.db2.gz JOOATKZQQPKBPI-MRXNPFEDSA-N 1 0 352.434 3.693 20 30 FHEDRO C[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000503869125 943392048 /nfs/dbraw/zinc/39/20/48/943392048.db2.gz DPNPMWLYBWWXRF-GOSISDBHSA-N 1 0 371.484 3.621 20 30 FHEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1ccccc1)[n+]1cccc(C)c1 ZINC000186955879 943398474 /nfs/dbraw/zinc/39/84/74/943398474.db2.gz UTPAPSBONZXUDS-UHFFFAOYSA-O 1 0 366.466 3.938 20 30 FHEDRO CSc1nc(C2CC2)cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1C#N ZINC000584686781 943402610 /nfs/dbraw/zinc/40/26/10/943402610.db2.gz PURNWGFFJVQCOK-UHFFFAOYSA-N 1 0 374.429 3.917 20 30 FHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000566438289 943418156 /nfs/dbraw/zinc/41/81/56/943418156.db2.gz ZBXLZEWBXQZZDF-INIZCTEOSA-N 1 0 363.461 3.726 20 30 FHEDRO CCc1cc(OC)ccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000503941501 943427084 /nfs/dbraw/zinc/42/70/84/943427084.db2.gz JLDYTBMXUDWYDH-UHFFFAOYSA-N 1 0 363.505 3.837 20 30 FHEDRO C[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000515004353 943445699 /nfs/dbraw/zinc/44/56/99/943445699.db2.gz LEZKPESMCODKIG-MRXNPFEDSA-N 1 0 362.477 3.585 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)cc1C#N ZINC000435539650 943475155 /nfs/dbraw/zinc/47/51/55/943475155.db2.gz KBONRUVEBXPPBB-UHFFFAOYSA-N 1 0 358.486 3.589 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](CN)c3ccc4ccccc4c3)CC2)cc1 ZINC000423398992 943503179 /nfs/dbraw/zinc/50/31/79/943503179.db2.gz PGZYNELMBXVLKK-XMMPIXPASA-N 1 0 370.500 3.970 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1C#N ZINC000435683372 943544490 /nfs/dbraw/zinc/54/44/90/943544490.db2.gz PEKYLJWNEUKZBV-MRXNPFEDSA-N 1 0 355.482 3.939 20 30 FHEDRO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417369891 943552730 /nfs/dbraw/zinc/55/27/30/943552730.db2.gz RWTAEOCYUNZIIP-QMHKHESXSA-N 1 0 361.489 3.965 20 30 FHEDRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417383182 943561047 /nfs/dbraw/zinc/56/10/47/943561047.db2.gz JXPBGMQSENYVAD-YCRPNKLZSA-N 1 0 363.461 3.951 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000435752431 943586188 /nfs/dbraw/zinc/58/61/88/943586188.db2.gz XXUXQBMNJQRSME-SJCJKPOMSA-N 1 0 370.287 3.537 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504339691 943591828 /nfs/dbraw/zinc/59/18/28/943591828.db2.gz WEJVSLHKPZMJKP-YADHBBJMSA-N 1 0 359.473 3.835 20 30 FHEDRO C[C@H]1CC(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[C@H](C)C1 ZINC000504534822 943650690 /nfs/dbraw/zinc/65/06/90/943650690.db2.gz UXZHDVAKNRVJQB-QZTJIDSGSA-N 1 0 353.510 3.733 20 30 FHEDRO CCCc1ccc([C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2cccs2)cc1 ZINC000424071246 943708522 /nfs/dbraw/zinc/70/85/22/943708522.db2.gz YYBAFXUXHQQQOG-PKOBYXMFSA-N 1 0 355.507 3.927 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000558098380 943721785 /nfs/dbraw/zinc/72/17/85/943721785.db2.gz KECJNYBNTFJLBR-CXAGYDPISA-N 1 0 350.304 3.625 20 30 FHEDRO Cc1nc(NC(=O)[C@H]([NH3+])CCCC#N)sc1Cc1cccc(Cl)c1 ZINC000424093147 943728439 /nfs/dbraw/zinc/72/84/39/943728439.db2.gz QPFLLOQMFQNBPD-CQSZACIVSA-N 1 0 362.886 3.655 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000424111346 943736429 /nfs/dbraw/zinc/73/64/29/943736429.db2.gz AOCUUCFVOILRGB-DZFGPLHGSA-N 1 0 366.461 3.556 20 30 FHEDRO CC(C)Oc1ccc(-c2csc(NC(=O)[C@H]([NH3+])CCCC#N)n2)cc1 ZINC000424112221 943737808 /nfs/dbraw/zinc/73/78/08/943737808.db2.gz INJQTHZNQYEZQZ-OAHLLOKOSA-N 1 0 358.467 3.557 20 30 FHEDRO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424115715 943739709 /nfs/dbraw/zinc/73/97/09/943739709.db2.gz VLZVKKOWLFTHRI-GOSISDBHSA-N 1 0 355.413 3.673 20 30 FHEDRO Cc1cccc(C)c1OC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424125095 943744354 /nfs/dbraw/zinc/74/43/54/943744354.db2.gz QFWJHLMKKCNXQA-UXHICEINSA-N 1 0 365.477 3.561 20 30 FHEDRO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1=O ZINC000516860877 943774930 /nfs/dbraw/zinc/77/49/30/943774930.db2.gz WQUYJOVOZTUGHN-XOBRGWDASA-N 1 0 369.415 3.678 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1)[NH+](C)C ZINC000078712277 943782793 /nfs/dbraw/zinc/78/27/93/943782793.db2.gz KAJKIHUXHWNULC-ZDUSSCGKSA-N 1 0 357.841 3.679 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)CC2)cc1 ZINC000435821492 943795389 /nfs/dbraw/zinc/79/53/89/943795389.db2.gz FFYWZKVWVMQSHM-UHFFFAOYSA-N 1 0 365.521 3.895 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)CC2 ZINC000516896142 943812949 /nfs/dbraw/zinc/81/29/49/943812949.db2.gz CBCAVVWAOMJIEM-IRLDBZIGSA-N 1 0 363.530 3.753 20 30 FHEDRO Cc1nc(C(F)(F)F)c(CN(C)CCOCc2ccc(C#N)cc2)s1 ZINC000584862047 943817329 /nfs/dbraw/zinc/81/73/29/943817329.db2.gz ZGSSNNUPMNTCKT-UHFFFAOYSA-N 1 0 369.412 3.991 20 30 FHEDRO C=CCn1cc(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000424289883 943821605 /nfs/dbraw/zinc/82/16/05/943821605.db2.gz AMSUIVPCBDMREV-HOCLYGCPSA-N 1 0 350.388 3.909 20 30 FHEDRO C=CCn1cc(C[NH2+][C@@H](CC)CCc2ccc(Br)cc2)nn1 ZINC000424292036 943822366 /nfs/dbraw/zinc/82/23/66/943822366.db2.gz FXRHCVREFNBTGL-INIZCTEOSA-N 1 0 363.303 3.728 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000424297497 943825128 /nfs/dbraw/zinc/82/51/28/943825128.db2.gz QTHPNPORFABTTI-ZLDLUXBVSA-N 1 0 357.235 3.533 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000437478827 943847253 /nfs/dbraw/zinc/84/72/53/943847253.db2.gz CMVKRAPPSMOZKY-LSDHHAIUSA-N 1 0 361.452 3.695 20 30 FHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](C#N)CCc3ccccc3)C2)CC1 ZINC000435924478 943860210 /nfs/dbraw/zinc/86/02/10/943860210.db2.gz AZEIPVRSHVPSHJ-FCHUYYIVSA-N 1 0 367.537 3.729 20 30 FHEDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414906747 943865878 /nfs/dbraw/zinc/86/58/78/943865878.db2.gz PPUCEHSFCGKMQB-AEFFLSMTSA-N 1 0 368.868 3.821 20 30 FHEDRO C=CCc1cc(C[N@@H+](C)CCOc2ccc(OC)cc2)cc(OC)c1O ZINC000506063102 943903473 /nfs/dbraw/zinc/90/34/73/943903473.db2.gz CISMURQMPYRBMX-UHFFFAOYSA-N 1 0 357.450 3.649 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424429379 943923708 /nfs/dbraw/zinc/92/37/08/943923708.db2.gz WWLHGJKOEJLDKR-UHFFFAOYSA-N 1 0 355.486 3.841 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000437573144 943929080 /nfs/dbraw/zinc/92/90/80/943929080.db2.gz ZCIIUEGBZCRIJL-DOTOQJQBSA-N 1 0 354.416 3.741 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(CC(C)C)c2C(C)C)CC1 ZINC000500004484 943931589 /nfs/dbraw/zinc/93/15/89/943931589.db2.gz ZHJUJSIOOYTKFB-UHFFFAOYSA-N 1 0 361.534 3.825 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000425446316 943943346 /nfs/dbraw/zinc/94/33/46/943943346.db2.gz PYAIZPJVGAVRMS-GOSISDBHSA-N 1 0 356.514 3.917 20 30 FHEDRO C=CCN1CC[C@@H]([N@H+](C)CC/C=C/c2ccc(Br)cc2)C1=O ZINC000500008130 943944551 /nfs/dbraw/zinc/94/45/51/943944551.db2.gz INNOOPQANLKXFM-UKINESCASA-N 1 0 363.299 3.571 20 30 FHEDRO C=CCC[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000417908465 943945336 /nfs/dbraw/zinc/94/53/36/943945336.db2.gz BNGAYLLGAFAHNS-HZPDHXFCSA-N 1 0 355.404 3.764 20 30 FHEDRO CCCCCCCCCC(=O)N1C[C@@H]2C[N@H+](C3CCCC3)C[C@H](C1)O2 ZINC001270238358 943949692 /nfs/dbraw/zinc/94/96/92/943949692.db2.gz SAHXGRJJTBBUKO-BGYRXZFFSA-N 1 0 350.547 3.981 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000190007397 943960172 /nfs/dbraw/zinc/96/01/72/943960172.db2.gz RNPMSQBCQTXLFL-MRXNPFEDSA-N 1 0 373.497 3.857 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000437615809 943972337 /nfs/dbraw/zinc/97/23/37/943972337.db2.gz JOMGUPMIRVOODL-GCJKJVERSA-N 1 0 358.526 3.906 20 30 FHEDRO C=CCCc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000505030469 943986571 /nfs/dbraw/zinc/98/65/71/943986571.db2.gz WDWIKHWMQZDRJS-UHFFFAOYSA-N 1 0 371.525 3.962 20 30 FHEDRO C=CCC[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000417945501 943989515 /nfs/dbraw/zinc/98/95/15/943989515.db2.gz XTHXHXMJOYCRJA-JKSUJKDBSA-N 1 0 355.404 3.749 20 30 FHEDRO CC[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000436101850 944016863 /nfs/dbraw/zinc/01/68/63/944016863.db2.gz MLPQFJZBMLJSJO-QFIPXVFZSA-N 1 0 373.500 3.543 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCOCC1 ZINC000424628587 944020322 /nfs/dbraw/zinc/02/03/22/944020322.db2.gz PSMKSCNCPRXDEH-UHFFFAOYSA-N 1 0 374.550 3.589 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000417971935 944025514 /nfs/dbraw/zinc/02/55/14/944025514.db2.gz BLIOWAIQSOLGMG-TZIWHRDSSA-N 1 0 362.477 3.542 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000417971932 944025585 /nfs/dbraw/zinc/02/55/85/944025585.db2.gz BLIOWAIQSOLGMG-CTNGQTDRSA-N 1 0 362.477 3.542 20 30 FHEDRO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417980012 944033163 /nfs/dbraw/zinc/03/31/63/944033163.db2.gz HYBYUJYWKBDRON-MRXNPFEDSA-N 1 0 350.466 3.542 20 30 FHEDRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417983638 944037971 /nfs/dbraw/zinc/03/79/71/944037971.db2.gz CIFYFPHFKWNSEM-SOLBZPMBSA-N 1 0 362.477 3.665 20 30 FHEDRO CCN(C(=O)c1cc(C#N)oc1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000436134306 944046559 /nfs/dbraw/zinc/04/65/59/944046559.db2.gz DDZVSPWNILUSDP-YJBOKZPZSA-N 1 0 351.450 3.757 20 30 FHEDRO C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001313 944049224 /nfs/dbraw/zinc/04/92/24/944049224.db2.gz WWWOTBOVLFLYDS-IXDOHACOSA-N 1 0 362.477 3.678 20 30 FHEDRO C=C(C)[C@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000418029288 944080688 /nfs/dbraw/zinc/08/06/88/944080688.db2.gz LICZRTXIBZXUSI-DEYYWGMASA-N 1 0 351.441 3.646 20 30 FHEDRO CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000517199546 944096470 /nfs/dbraw/zinc/09/64/70/944096470.db2.gz ZEBACPSZQRVURP-QFBILLFUSA-N 1 0 363.452 3.588 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC)[N@H+](C)Cc1ccccc1 ZINC000517205637 944104475 /nfs/dbraw/zinc/10/44/75/944104475.db2.gz YCVJTTWRXUAKOR-JOCHJYFZSA-N 1 0 361.489 3.983 20 30 FHEDRO C=CCC1(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424766889 944106078 /nfs/dbraw/zinc/10/60/78/944106078.db2.gz KLKAOHGTZWWTQY-TZIWHRDSSA-N 1 0 370.537 3.776 20 30 FHEDRO N#CCCCn1cc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)c2ccccc21 ZINC000364245846 944143407 /nfs/dbraw/zinc/14/34/07/944143407.db2.gz XMVUHYXDFFNLHJ-GOSISDBHSA-N 1 0 374.444 3.634 20 30 FHEDRO COc1ccc(C[NH+]2CCC(OC3CCC3)CC2)cc1OCCCC#N ZINC000418091404 944145316 /nfs/dbraw/zinc/14/53/16/944145316.db2.gz NCIRTDPAWIKWRL-UHFFFAOYSA-N 1 0 358.482 3.911 20 30 FHEDRO COc1cccc(C2(F)CC[NH+](CCOc3ccc(C#N)cc3)CC2)c1 ZINC000500136790 944154981 /nfs/dbraw/zinc/15/49/81/944154981.db2.gz GSWQJVLSFLNJGL-UHFFFAOYSA-N 1 0 354.425 3.906 20 30 FHEDRO C=CCc1cc(C[NH2+]CCN2c3ccccc3C[C@H]2C)cc(OC)c1O ZINC000500137394 944157869 /nfs/dbraw/zinc/15/78/69/944157869.db2.gz IHPPIPRJBKLHMB-MRXNPFEDSA-N 1 0 352.478 3.670 20 30 FHEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3Cc3cc(F)ccc3F)n2c1 ZINC000418103756 944161245 /nfs/dbraw/zinc/16/12/45/944161245.db2.gz WHOJKACQKHVFPW-QGZVFWFLSA-N 1 0 352.388 3.691 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000436295589 944180435 /nfs/dbraw/zinc/18/04/35/944180435.db2.gz RTRATBRETAYIOM-KHYOSLBOSA-N 1 0 350.890 3.936 20 30 FHEDRO Cc1nc(COc2ccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cc2)no1 ZINC000418136225 944190268 /nfs/dbraw/zinc/19/02/68/944190268.db2.gz AHUPIMJWMJZPCU-OAQYLSRUSA-N 1 0 374.444 3.996 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000436307337 944190262 /nfs/dbraw/zinc/19/02/62/944190262.db2.gz RGWYUCKOODBPCX-WTANOLMUSA-N 1 0 360.889 3.861 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000436307335 944190342 /nfs/dbraw/zinc/19/03/42/944190342.db2.gz RGWYUCKOODBPCX-OHNRDTAOSA-N 1 0 360.889 3.861 20 30 FHEDRO CCC[N@H+](C)CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000517343077 944221275 /nfs/dbraw/zinc/22/12/75/944221275.db2.gz BWKBQRMZMATYTK-UHFFFAOYSA-N 1 0 353.441 3.568 20 30 FHEDRO CC(C)(C[NH2+]Cc1nc(C#N)cs1)c1cccc(Br)c1 ZINC000515822185 944242613 /nfs/dbraw/zinc/24/26/13/944242613.db2.gz SKPPBLNYPFIWDR-UHFFFAOYSA-N 1 0 350.285 3.845 20 30 FHEDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538964 944270974 /nfs/dbraw/zinc/27/09/74/944270974.db2.gz SYRUTJGNMYGBRL-HNNXBMFYSA-N 1 0 366.421 3.797 20 30 FHEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000418213906 944275515 /nfs/dbraw/zinc/27/55/15/944275515.db2.gz LFJPSWIYTHWMEJ-PMACEKPBSA-N 1 0 368.525 3.841 20 30 FHEDRO COc1cc(OC)c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000517408639 944278320 /nfs/dbraw/zinc/27/83/20/944278320.db2.gz XRCIWPVFRKBWBG-LJQANCHMSA-N 1 0 352.434 3.751 20 30 FHEDRO C[N@H+](CC#Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000440461870 944314017 /nfs/dbraw/zinc/31/40/17/944314017.db2.gz VJUWXWKTWWGSJG-UHFFFAOYSA-N 1 0 366.892 3.928 20 30 FHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000518385907 944322056 /nfs/dbraw/zinc/32/20/56/944322056.db2.gz GHPVOUXGPFVESZ-UHFFFAOYSA-N 1 0 371.525 3.686 20 30 FHEDRO C=CCc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc(OC)c1OC ZINC000025331378 944366384 /nfs/dbraw/zinc/36/63/84/944366384.db2.gz UMAKBODQSBUYPQ-KRWDZBQOSA-N 1 0 374.506 3.527 20 30 FHEDRO CC(C)[N@H+](C)CCCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000517540973 944371423 /nfs/dbraw/zinc/37/14/23/944371423.db2.gz SMMIJJPZYQFZSM-UHFFFAOYSA-N 1 0 351.494 3.957 20 30 FHEDRO COc1ccccc1[C@H](CNc1nc(C)ccc1C#N)[NH+]1CCCCC1 ZINC000500278232 944390060 /nfs/dbraw/zinc/39/00/60/944390060.db2.gz YKOKEQFVAQQBDM-IBGZPJMESA-N 1 0 350.466 3.909 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)c2cccc(CC#N)c2)c2ccccc2)CC1 ZINC000515983544 944394819 /nfs/dbraw/zinc/39/48/19/944394819.db2.gz VXKUEPSBDNEXQF-QFIPXVFZSA-N 1 0 361.489 3.956 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)C2=O)cc1 ZINC000437781130 944411838 /nfs/dbraw/zinc/41/18/38/944411838.db2.gz FHLBKUDRHXICJZ-VYDXJSESSA-N 1 0 365.399 3.764 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cccc(C#N)c1 ZINC000517605798 944425147 /nfs/dbraw/zinc/42/51/47/944425147.db2.gz AOUREWAROKLUAG-CZUORRHYSA-N 1 0 353.388 3.542 20 30 FHEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000418340693 944425970 /nfs/dbraw/zinc/42/59/70/944425970.db2.gz CLOWAOCFKTXSQR-FQEVSTJZSA-N 1 0 362.477 3.670 20 30 FHEDRO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NC[C@@H]1CCCS1 ZINC000261979691 944434050 /nfs/dbraw/zinc/43/40/50/944434050.db2.gz OOLWKEUAJAXTCD-NSHDSACASA-N 1 0 354.932 3.510 20 30 FHEDRO COC(=O)CC(C)(C)[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193074156 944450748 /nfs/dbraw/zinc/45/07/48/944450748.db2.gz ZHTVXXMBIXUZAO-UHFFFAOYSA-N 1 0 350.462 3.818 20 30 FHEDRO N#CCOc1cccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000048510269 944461637 /nfs/dbraw/zinc/46/16/37/944461637.db2.gz IVGOWNJXGISKLP-GOSISDBHSA-N 1 0 368.437 3.531 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000517745337 944571953 /nfs/dbraw/zinc/57/19/53/944571953.db2.gz LEONMXHUCUEGRX-MSOLQXFVSA-N 1 0 359.514 3.513 20 30 FHEDRO N#Cc1ccc2ncc(C[N@@H+](Cc3ccc(F)cc3)C3CCOCC3)n2c1 ZINC000426373235 944583984 /nfs/dbraw/zinc/58/39/84/944583984.db2.gz RQSGRDWGHRVUJX-UHFFFAOYSA-N 1 0 364.424 3.526 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000759861146 944599869 /nfs/dbraw/zinc/59/98/69/944599869.db2.gz FUUHBFJIFVMCPR-HXUWFJFHSA-N 1 0 374.843 3.928 20 30 FHEDRO COc1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c(O)c1OC ZINC000893361170 944603770 /nfs/dbraw/zinc/60/37/70/944603770.db2.gz WENYYLOWRAQMCQ-UHFFFAOYSA-N 1 0 365.351 3.570 20 30 FHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000053681173 944606465 /nfs/dbraw/zinc/60/64/65/944606465.db2.gz UUOJZNXUMHVYFU-OAHLLOKOSA-N 1 0 371.868 3.940 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(Cl)c1 ZINC000439441209 944619500 /nfs/dbraw/zinc/61/95/00/944619500.db2.gz RDFMAJVZCWLTPL-INIZCTEOSA-N 1 0 351.841 3.634 20 30 FHEDRO CC(C)(C)OC(=O)NCCc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000311308076 944625866 /nfs/dbraw/zinc/62/58/66/944625866.db2.gz PEERTFMNSGPQCD-UHFFFAOYSA-N 1 0 355.438 3.508 20 30 FHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cscc2C#N)CC1 ZINC000506585698 944650969 /nfs/dbraw/zinc/65/09/69/944650969.db2.gz ZZTOSRPYIXOLGT-UHFFFAOYSA-N 1 0 353.491 3.782 20 30 FHEDRO C[C@H](C[NH2+]C1CCC(Oc2ncccc2C#N)CC1)CC1CCOCC1 ZINC000438478683 944656918 /nfs/dbraw/zinc/65/69/18/944656918.db2.gz NOBQKWLKISASNI-DZIBYMRMSA-N 1 0 357.498 3.686 20 30 FHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438492630 944685280 /nfs/dbraw/zinc/68/52/80/944685280.db2.gz PLBRZGBYBNVVKG-WMZHIEFXSA-N 1 0 361.489 3.985 20 30 FHEDRO C=CCOc1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1Cl ZINC000506258113 944700693 /nfs/dbraw/zinc/70/06/93/944700693.db2.gz FWBCMHDNGJOEIP-UHFFFAOYSA-N 1 0 358.869 3.782 20 30 FHEDRO CCCCCCCC(=O)N1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001270135045 944735694 /nfs/dbraw/zinc/73/56/94/944735694.db2.gz YKLZVNAMMHPWPU-OAQYLSRUSA-N 1 0 351.579 3.613 20 30 FHEDRO Cc1cccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000506914442 944741834 /nfs/dbraw/zinc/74/18/34/944741834.db2.gz BHSVLLGCZHJZJO-UHFFFAOYSA-N 1 0 353.491 3.878 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759895701 944769242 /nfs/dbraw/zinc/76/92/42/944769242.db2.gz HYRSOXCSNMTAMX-SFHVURJKSA-N 1 0 374.488 3.521 20 30 FHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000499869704 944777949 /nfs/dbraw/zinc/77/79/49/944777949.db2.gz XHXOLVPDPTYQKZ-VXGBXAGGSA-N 1 0 354.376 3.523 20 30 FHEDRO C=CCCC(C)(C)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000664852680 944790021 /nfs/dbraw/zinc/79/00/21/944790021.db2.gz QAOJCSNNZUYWCA-UHFFFAOYSA-N 1 0 359.514 3.704 20 30 FHEDRO Cc1ccc(C(C)(C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cn1 ZINC000759909705 944854145 /nfs/dbraw/zinc/85/41/45/944854145.db2.gz DBEVNCLWKDHHKO-UHFFFAOYSA-N 1 0 364.493 3.778 20 30 FHEDRO Fc1ccc(C#CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1 ZINC000500424052 944856742 /nfs/dbraw/zinc/85/67/42/944856742.db2.gz LDODMXATDCRHFM-XMSQKQJNSA-N 1 0 365.452 3.566 20 30 FHEDRO N#Cc1ccc(NC(=O)NCCC[NH+]2CCCCCC2)cc1C(F)(F)F ZINC000438637402 944872439 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N#Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000426131208 944989982 /nfs/dbraw/zinc/98/99/82/944989982.db2.gz NNMUMKNOGUPBGH-KRWDZBQOSA-N 1 0 368.868 3.998 20 30 FHEDRO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000473593831 945000980 /nfs/dbraw/zinc/00/09/80/945000980.db2.gz SABSGYFBCSNDOV-FUHWJXTLSA-N 1 0 354.416 3.998 20 30 FHEDRO COc1ccc([C@@H](CNC(=O)c2cscc2C#N)[NH+]2CCCCC2)cc1 ZINC000432075991 945012082 /nfs/dbraw/zinc/01/20/82/945012082.db2.gz KUPHYKUGXOZHNG-LJQANCHMSA-N 1 0 369.490 3.585 20 30 FHEDRO CC(C)C1CCC(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000511752402 945019914 /nfs/dbraw/zinc/01/99/14/945019914.db2.gz CPCDWZPLNYDKAA-DQVLVPHSSA-N 1 0 353.510 3.711 20 30 FHEDRO N#CCCOCC[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000294323965 945046219 /nfs/dbraw/zinc/04/62/19/945046219.db2.gz YCQZHGXNWSFDED-UHFFFAOYSA-N 1 0 350.462 3.567 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000427068360 945055339 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N#CC1(c2ccccc2)CCC([NH2+]CCOc2ccc3c(c2)OCO3)CC1 ZINC000507654689 945426899 /nfs/dbraw/zinc/42/68/99/945426899.db2.gz WCWXKKGTCAJUSQ-UHFFFAOYSA-N 1 0 364.445 3.788 20 30 FHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCOc1cccc(C#N)c1 ZINC000507661698 945433184 /nfs/dbraw/zinc/43/31/84/945433184.db2.gz WLRKBCGVQHRXAY-UHFFFAOYSA-N 1 0 360.461 3.892 20 30 FHEDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)CCC(=O)NC3CCCC3)C1)CCCC2 ZINC000330278901 945441195 /nfs/dbraw/zinc/44/11/95/945441195.db2.gz QFZVJQOIWFXTFI-KRWDZBQOSA-N 1 0 372.513 3.523 20 30 FHEDRO Cc1cccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCn3ccnc3C2)c1C ZINC000330282036 945444444 /nfs/dbraw/zinc/44/44/44/945444444.db2.gz VCHLQOAJOFYTNV-MJGOQNOKSA-N 1 0 352.482 3.956 20 30 FHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000519493508 945487465 /nfs/dbraw/zinc/48/74/65/945487465.db2.gz AZIWBQAYHMQNFQ-MISYRCLQSA-N 1 0 356.514 3.588 20 30 FHEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000467411502 945492434 /nfs/dbraw/zinc/49/24/34/945492434.db2.gz OINFDJKXAMYELI-NVXWUHKLSA-N 1 0 362.495 3.763 20 30 FHEDRO C=CCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccccc1CC ZINC000027059595 945509899 /nfs/dbraw/zinc/50/98/99/945509899.db2.gz ITQGLMYEDJRRGT-UHFFFAOYSA-O 1 0 365.478 3.997 20 30 FHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1c(F)cc(C#N)cc1F ZINC000281053673 945510015 /nfs/dbraw/zinc/51/00/15/945510015.db2.gz PCJUJUBJAMRPOI-DNVCBOLYSA-N 1 0 367.399 3.593 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000125055665 945531663 /nfs/dbraw/zinc/53/16/63/945531663.db2.gz KNUGRIRPKKTGIO-QGZVFWFLSA-N 1 0 357.841 3.680 20 30 FHEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000487452407 945540050 /nfs/dbraw/zinc/54/00/50/945540050.db2.gz PSARQYADYJLAHX-RTWAWAEBSA-N 1 0 362.477 3.904 20 30 FHEDRO N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001270802753 945543805 /nfs/dbraw/zinc/54/38/05/945543805.db2.gz CKWTWPGQAGZKMD-JOCHJYFZSA-N 1 0 351.494 3.819 20 30 FHEDRO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C#N)[C@@H]2C1 ZINC001270804370 945566544 /nfs/dbraw/zinc/56/65/44/945566544.db2.gz PBEZAIGYOSDICG-HFSMHLIXSA-N 1 0 353.510 3.921 20 30 FHEDRO C[NH+](C)C1(CNC(=O)N[C@H]2CCOC3(CCCCC3)C2)CCCCC1 ZINC000330337335 945606502 /nfs/dbraw/zinc/60/65/02/945606502.db2.gz ZWQVXRBWEYZKOW-KRWDZBQOSA-N 1 0 351.535 3.636 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000487454416 945619802 /nfs/dbraw/zinc/61/98/02/945619802.db2.gz WHBMHCYKXNEJIZ-GJZGRUSLSA-N 1 0 370.415 3.873 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000661001774 945633474 /nfs/dbraw/zinc/63/34/74/945633474.db2.gz KGRVWJDPLBCOPA-ZVDOUQERSA-N 1 0 355.526 3.895 20 30 FHEDRO O=C1c2ccccc2C(=O)C(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)=C1Cl ZINC001167968845 945639985 /nfs/dbraw/zinc/63/99/85/945639985.db2.gz VXLBNIZBKQHUFU-GOOCMWNKSA-N 1 0 370.880 3.511 20 30 FHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000651687935 945663478 /nfs/dbraw/zinc/66/34/78/945663478.db2.gz VXTJCZDSGKODNI-BMQTXXJKSA-N 1 0 356.510 3.770 20 30 FHEDRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)ccc1C#N ZINC000443998650 945704799 /nfs/dbraw/zinc/70/47/99/945704799.db2.gz WDTFMVKTZBPHFJ-SFHVURJKSA-N 1 0 353.853 3.805 20 30 FHEDRO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000550078160 945720612 /nfs/dbraw/zinc/72/06/12/945720612.db2.gz UVEIGKOWXLHGLX-AWEZNQCLSA-N 1 0 358.835 3.944 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000661115558 945739462 /nfs/dbraw/zinc/73/94/62/945739462.db2.gz DIQRQEKEKSYWNE-AEFFLSMTSA-N 1 0 367.497 3.752 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000661115511 945739667 /nfs/dbraw/zinc/73/96/67/945739667.db2.gz DABGIIIYZGPDIU-VQIMIIECSA-N 1 0 351.494 3.777 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000661118134 945744688 /nfs/dbraw/zinc/74/46/88/945744688.db2.gz WWLZYMBBNGBAOI-PZJWPPBQSA-N 1 0 370.537 3.576 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000661116505 945748991 /nfs/dbraw/zinc/74/89/91/945748991.db2.gz YQMOAXHIAKJZJR-MAUKXSAKSA-N 1 0 363.465 3.746 20 30 FHEDRO C[N@H+](CCNC(=O)c1cn(CCCC#N)c2ccccc12)C1CCCCC1 ZINC000444052649 945752475 /nfs/dbraw/zinc/75/24/75/945752475.db2.gz ZGGJQXVCVUEZSM-UHFFFAOYSA-N 1 0 366.509 3.939 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Nc3cccc(C)c3)CC2)CC1 ZINC000119994884 945786908 /nfs/dbraw/zinc/78/69/08/945786908.db2.gz UPZVZGGCFKFFHG-UHFFFAOYSA-N 1 0 370.541 3.621 20 30 FHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1cccc(F)c1C#N ZINC000428344816 945839997 /nfs/dbraw/zinc/83/99/97/945839997.db2.gz HFPGPLPUBHRFOT-IAGOWNOFSA-N 1 0 351.469 3.944 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000519895325 945868895 /nfs/dbraw/zinc/86/88/95/945868895.db2.gz XGMXMQAKZGUZBR-UHFFFAOYSA-N 1 0 370.541 3.989 20 30 FHEDRO C=CC1CC[NH+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000111259885 945874742 /nfs/dbraw/zinc/87/47/42/945874742.db2.gz CFXWZJJHZZBASV-UHFFFAOYSA-N 1 0 369.490 3.837 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000439691382 945881931 /nfs/dbraw/zinc/88/19/31/945881931.db2.gz MTNSTZCGCGIOPG-IBGZPJMESA-N 1 0 364.449 3.815 20 30 FHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)cc1OC ZINC000281891150 945903978 /nfs/dbraw/zinc/90/39/78/945903978.db2.gz DVUAXJOGUPZOIH-SFHVURJKSA-N 1 0 358.482 3.941 20 30 FHEDRO N#CC1(CCC[NH+]2CCN(c3nc4ccccc4s3)CC2)CCOCC1 ZINC000281903412 945923835 /nfs/dbraw/zinc/92/38/35/945923835.db2.gz FXCDHZWSZGXRPV-UHFFFAOYSA-N 1 0 370.522 3.519 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000522833619 945954048 /nfs/dbraw/zinc/95/40/48/945954048.db2.gz ZZRDOJWYHHEGBC-SFHVURJKSA-N 1 0 362.477 3.733 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000661328340 946000168 /nfs/dbraw/zinc/00/01/68/946000168.db2.gz IYGJEEINEUDGGY-LEWJYISDSA-N 1 0 355.526 3.595 20 30 FHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000651813901 946004900 /nfs/dbraw/zinc/00/49/00/946004900.db2.gz CCAFPHDXARFBIR-SJLPKXTDSA-N 1 0 367.493 3.890 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2nc3ccccc3nc2N2CCCC2)CC1 ZINC000301883117 946018994 /nfs/dbraw/zinc/01/89/94/946018994.db2.gz NEMBNYYOKNUWDA-UHFFFAOYSA-N 1 0 351.498 3.682 20 30 FHEDRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]Cc2ccc(OCC#N)cc2)s1 ZINC000281977682 946023230 /nfs/dbraw/zinc/02/32/30/946023230.db2.gz KKHFTNUMKJZIKB-UHFFFAOYSA-N 1 0 374.466 3.682 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665557285 946026470 /nfs/dbraw/zinc/02/64/70/946026470.db2.gz QOZJSFPEABARAE-CYBMUJFWSA-N 1 0 355.935 3.972 20 30 FHEDRO C=C1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000444181928 946039376 /nfs/dbraw/zinc/03/93/76/946039376.db2.gz KRBLATUYUIQDOQ-UHFFFAOYSA-N 1 0 351.494 3.586 20 30 FHEDRO CCC[N@H+](CCOc1cccc(C#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729483663 946073538 /nfs/dbraw/zinc/07/35/38/946073538.db2.gz KCGVEDTWXPKYFM-SFHVURJKSA-N 1 0 373.497 3.658 20 30 FHEDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000093298522 946103797 /nfs/dbraw/zinc/10/37/97/946103797.db2.gz MSYHWAUSZDIGDF-QGZVFWFLSA-N 1 0 367.411 3.968 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC1CCC(C#N)CC1)C1CC1 ZINC000441014888 946117357 /nfs/dbraw/zinc/11/73/57/946117357.db2.gz PWUMUEBDFROZDG-NGICGMGXSA-N 1 0 368.525 3.526 20 30 FHEDRO CSC[C@@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925097100 946224983 /nfs/dbraw/zinc/22/49/83/946224983.db2.gz QELMMJCHAMWQRB-HUUCEWRRSA-N 1 0 355.548 3.647 20 30 FHEDRO CS[C@@H]1CCCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000441137688 946250751 /nfs/dbraw/zinc/25/07/51/946250751.db2.gz YVQHJNLBTCHTNT-LJQANCHMSA-N 1 0 359.539 3.768 20 30 FHEDRO C=CC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302671407 946275775 /nfs/dbraw/zinc/27/57/75/946275775.db2.gz KQMRDBKHNHGFHX-UHFFFAOYSA-N 1 0 354.248 3.728 20 30 FHEDRO COc1ccc(OC2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000520217580 946283619 /nfs/dbraw/zinc/28/36/19/946283619.db2.gz ARLNCICUQGOSAS-UHFFFAOYSA-N 1 0 358.482 3.639 20 30 FHEDRO C[NH+](C)CC[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001126109921 946291263 /nfs/dbraw/zinc/29/12/63/946291263.db2.gz QVKKYEYEGHQJQM-MRXNPFEDSA-N 1 0 354.416 3.540 20 30 FHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)ccc1SC ZINC000101547175 946308436 /nfs/dbraw/zinc/30/84/36/946308436.db2.gz ZLTJOFXEZMTHPO-UHFFFAOYSA-N 1 0 369.490 3.749 20 30 FHEDRO [NH2+]=C(NCCc1csc(N2CCCC2)n1)Nc1cccc2c1CCCC2 ZINC000262511773 946369692 /nfs/dbraw/zinc/36/96/92/946369692.db2.gz DKAMEZMXIPIHAR-UHFFFAOYSA-N 1 0 369.538 3.591 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000441274244 946386348 /nfs/dbraw/zinc/38/63/48/946386348.db2.gz BQDZRXDFMOOFMJ-IAGOWNOFSA-N 1 0 353.384 3.685 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000475108966 946388899 /nfs/dbraw/zinc/38/88/99/946388899.db2.gz PKZKQXHJOJBHRT-WSTZPKSXSA-N 1 0 355.526 3.947 20 30 FHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475105084 946403888 /nfs/dbraw/zinc/40/38/88/946403888.db2.gz AYZDCEQILFSODJ-IBGZPJMESA-N 1 0 367.468 3.803 20 30 FHEDRO CC1(C)[C@H](NC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@H]2CCCO[C@H]21 ZINC000262513113 946419583 /nfs/dbraw/zinc/41/95/83/946419583.db2.gz DWTTYYXAPUSCOH-MGPQQGTHSA-N 1 0 357.376 3.515 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000278847090 946423302 /nfs/dbraw/zinc/42/33/02/946423302.db2.gz DRWRQKKBWSRVMT-LJQANCHMSA-N 1 0 371.525 3.670 20 30 FHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000520339338 946435206 /nfs/dbraw/zinc/43/52/06/946435206.db2.gz PTGBTKPBIFMGRH-SFHVURJKSA-N 1 0 371.525 3.734 20 30 FHEDRO CN(CCC#N)c1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000093389220 946492503 /nfs/dbraw/zinc/49/25/03/946492503.db2.gz NGBJDLXPFINSHX-HSZRJFAPSA-N 1 0 363.505 3.908 20 30 FHEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000441370873 946523925 /nfs/dbraw/zinc/52/39/25/946523925.db2.gz RXBLXYBBJOLQNS-RHSMWYFYSA-N 1 0 367.415 3.742 20 30 FHEDRO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 ZINC000897054897 946540670 /nfs/dbraw/zinc/54/06/70/946540670.db2.gz KZMLHNLNDKMYIY-AOOOYVTPSA-N 1 0 362.264 3.628 20 30 FHEDRO COCC(C)(C)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055423 946542371 /nfs/dbraw/zinc/54/23/71/946542371.db2.gz OSLZGMVMUSMNLQ-IUCAKERBSA-N 1 0 369.296 3.762 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000186556135 946551699 /nfs/dbraw/zinc/55/16/99/946551699.db2.gz QGWNXXOQAYKKOY-INIZCTEOSA-N 1 0 357.473 3.814 20 30 FHEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609926754 946559885 /nfs/dbraw/zinc/55/98/85/946559885.db2.gz XIJUVGZDZNKKTN-LKUPVBHCSA-N 1 0 368.452 3.509 20 30 FHEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609926762 946560104 /nfs/dbraw/zinc/56/01/04/946560104.db2.gz XNHUTKMXUPQTDD-OXQOHEQNSA-N 1 0 372.896 3.709 20 30 FHEDRO C=CCN1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066906001 946593135 /nfs/dbraw/zinc/59/31/35/946593135.db2.gz JAZJWVZMIUONTF-UHFFFAOYSA-N 1 0 361.489 3.877 20 30 FHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2nc3cc(Cl)ccc3n2C)cc1 ZINC000262459828 946671673 /nfs/dbraw/zinc/67/16/73/946671673.db2.gz VSCPDVDMTFCSRQ-UHFFFAOYSA-N 1 0 371.872 3.941 20 30 FHEDRO CC(C)N1CC[C@@H]([NH2+]Cc2nc(C#N)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000567431491 946689014 /nfs/dbraw/zinc/68/90/14/946689014.db2.gz NOBGHHFALFYZCP-SJLPKXTDSA-N 1 0 362.449 3.607 20 30 FHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000186608015 946693365 /nfs/dbraw/zinc/69/33/65/946693365.db2.gz VWFARHLYCYRCQN-KRWDZBQOSA-N 1 0 361.489 3.835 20 30 FHEDRO N#Cc1ccc(C2(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)CC2)cc1 ZINC000186609556 946696291 /nfs/dbraw/zinc/69/62/91/946696291.db2.gz QUXFIYDHNYHLIV-HXUWFJFHSA-N 1 0 365.521 3.704 20 30 FHEDRO C[NH+]=C(NCc1ccc(C)nc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262461722 946698023 /nfs/dbraw/zinc/69/80/23/946698023.db2.gz MQEUGHKYTDTYPZ-GOSISDBHSA-N 1 0 354.523 3.580 20 30 FHEDRO COc1cccc(NC(=[NH2+])NCc2ccc(OCc3ccccn3)cc2)c1 ZINC000303887923 946725422 /nfs/dbraw/zinc/72/54/22/946725422.db2.gz LAKUZTACHFOLLN-UHFFFAOYSA-N 1 0 362.433 3.596 20 30 FHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000186270650 946732346 /nfs/dbraw/zinc/73/23/46/946732346.db2.gz FLFDXNNKVQWRPF-UHFFFAOYSA-N 1 0 359.473 3.668 20 30 FHEDRO C[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867440 946743984 /nfs/dbraw/zinc/74/39/84/946743984.db2.gz AVPMNIZQQRMLHZ-JOCHJYFZSA-N 1 0 360.457 3.778 20 30 FHEDRO C=C(C)C(=O)OCCNc1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001168073900 946748781 /nfs/dbraw/zinc/74/87/81/946748781.db2.gz RYHJQXCJQAVMOB-FQEVSTJZSA-N 1 0 367.493 3.696 20 30 FHEDRO C=CCC1([NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000661847985 946753279 /nfs/dbraw/zinc/75/32/79/946753279.db2.gz HSTYPILHQSJKRP-UHFFFAOYSA-N 1 0 351.376 3.660 20 30 FHEDRO COc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1Br ZINC000303987249 946753514 /nfs/dbraw/zinc/75/35/14/946753514.db2.gz VGANQIMLIGLCRB-UHFFFAOYSA-N 1 0 374.282 3.873 20 30 FHEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccccc1OCC(=O)N(C)C ZINC000475288736 946827637 /nfs/dbraw/zinc/82/76/37/946827637.db2.gz UMZQWDHYJRXUAZ-UHFFFAOYSA-N 1 0 352.478 3.732 20 30 FHEDRO C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)Oc1ccccc1 ZINC000305245646 946838213 /nfs/dbraw/zinc/83/82/13/946838213.db2.gz STJQHCUFPILCRH-GFCCVEGCSA-N 1 0 353.344 3.779 20 30 FHEDRO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508496776 946845558 /nfs/dbraw/zinc/84/55/58/946845558.db2.gz GJRLKEZORHMMKL-HXUWFJFHSA-N 1 0 365.525 3.758 20 30 FHEDRO Cc1ccc(CNC(=[NH2+])NC2CCCCCC2)c(OC[C@@H]2CCCO2)c1 ZINC000305739594 946865180 /nfs/dbraw/zinc/86/51/80/946865180.db2.gz BMVJVXMBAYYCPO-IBGZPJMESA-N 1 0 359.514 3.680 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475315054 946877512 /nfs/dbraw/zinc/87/75/12/946877512.db2.gz SJYLXEYIRYEXCA-FQEVSTJZSA-N 1 0 367.468 3.803 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000475316470 946878386 /nfs/dbraw/zinc/87/83/86/946878386.db2.gz ICOXWMDYUZDQCB-SFHVURJKSA-N 1 0 353.466 3.894 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000475316469 946878447 /nfs/dbraw/zinc/87/84/47/946878447.db2.gz ICOXWMDYUZDQCB-GOSISDBHSA-N 1 0 353.466 3.894 20 30 FHEDRO N#CC[C@H](CC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000475326116 946886536 /nfs/dbraw/zinc/88/65/36/946886536.db2.gz RVDPWYNOHSASBV-OAQYLSRUSA-N 1 0 353.510 3.798 20 30 FHEDRO COCC[N@H+](C)CC[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccccc1 ZINC000067372070 946900053 /nfs/dbraw/zinc/90/00/53/946900053.db2.gz IMLBSDWNIOMNER-KRWDZBQOSA-N 1 0 358.873 3.728 20 30 FHEDRO C[C@]1(O)CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000475342253 946912232 /nfs/dbraw/zinc/91/22/32/946912232.db2.gz IGVCLTZCLMMFBR-QFIPXVFZSA-N 1 0 350.462 3.874 20 30 FHEDRO N#C[C@H](c1ccccc1)N1CC[NH+](CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001167785190 946927242 /nfs/dbraw/zinc/92/72/42/946927242.db2.gz RROCHDHJGHMQRR-RTWAWAEBSA-N 1 0 353.510 3.608 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000113322440 946927541 /nfs/dbraw/zinc/92/75/41/946927541.db2.gz KMKVNMVGAXMWQW-MRXNPFEDSA-N 1 0 369.461 3.965 20 30 FHEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000113322421 946928020 /nfs/dbraw/zinc/92/80/20/946928020.db2.gz ALPAJBHCODRHSJ-HNNXBMFYSA-N 1 0 355.434 3.575 20 30 FHEDRO C#CC[N@@H+](CC[C@H]1CCOC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000783567454 946934761 /nfs/dbraw/zinc/93/47/61/946934761.db2.gz PKZJGZFRJVBXKG-WMLDXEAASA-N 1 0 364.283 3.635 20 30 FHEDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)[NH+]1CCCC1 ZINC000165092867 946936610 /nfs/dbraw/zinc/93/66/10/946936610.db2.gz NGXZNOAJQNVRAF-IBGZPJMESA-N 1 0 366.421 3.724 20 30 FHEDRO CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c12 ZINC000328637618 946961400 /nfs/dbraw/zinc/96/14/00/946961400.db2.gz AYPGUMNREABYSK-WBVHZDCISA-N 1 0 356.470 3.669 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@]3(C)CCC(=O)NC3)c2)CC1 ZINC000328639176 946962833 /nfs/dbraw/zinc/96/28/33/946962833.db2.gz DPFRUBMIRNZLBX-FQEVSTJZSA-N 1 0 358.486 3.562 20 30 FHEDRO COc1ccccc1[C@H](CNC(=O)[C@@H]1O[C@H](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000328640696 946962877 /nfs/dbraw/zinc/96/28/77/946962877.db2.gz CVXSJGSGTTUBLH-ZTRFORPCSA-N 1 0 360.498 3.992 20 30 FHEDRO CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)c12 ZINC000328647748 946963684 /nfs/dbraw/zinc/96/36/84/946963684.db2.gz HRQTYISEXHGGRN-YVEFUNNKSA-N 1 0 356.470 3.525 20 30 FHEDRO Cc1ccc(CNC(=O)CN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000328648575 946965536 /nfs/dbraw/zinc/96/55/36/946965536.db2.gz IFWPIEOVPGNWGN-IBGZPJMESA-N 1 0 366.509 3.864 20 30 FHEDRO COCCO[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193127404 946971895 /nfs/dbraw/zinc/97/18/95/946971895.db2.gz MHGPDGRLNLLCEV-QFIPXVFZSA-N 1 0 364.489 3.624 20 30 FHEDRO C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CCC(=O)NC1 ZINC000328686986 946987565 /nfs/dbraw/zinc/98/75/65/946987565.db2.gz YSBDSSFLSOETKL-HXUWFJFHSA-N 1 0 372.469 3.778 20 30 FHEDRO C[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000328690693 946989328 /nfs/dbraw/zinc/98/93/28/946989328.db2.gz DNCLQNDSPLENRO-XLIONFOSSA-N 1 0 371.525 3.774 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(NCC4CC4)nc3)CC2)CC1 ZINC000328694490 946992493 /nfs/dbraw/zinc/99/24/93/946992493.db2.gz FZVIJOQXFBNRIV-UHFFFAOYSA-N 1 0 370.541 3.673 20 30 FHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000328697295 946993472 /nfs/dbraw/zinc/99/34/72/946993472.db2.gz DNNRLGLOWUVZSN-LJQANCHMSA-N 1 0 365.562 3.597 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000475382933 946994112 /nfs/dbraw/zinc/99/41/12/946994112.db2.gz XIMDUZQJUVETJL-MBOZVWFJSA-N 1 0 353.510 3.965 20 30 FHEDRO COc1ccc(-c2ccc(C)c(NC(=O)N3CC[N@H+](C)[C@@H](C)[C@H]3C)c2)cn1 ZINC000328713487 947000885 /nfs/dbraw/zinc/00/08/85/947000885.db2.gz RZXCOWXMLITMCV-JKSUJKDBSA-N 1 0 368.481 3.636 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc3nsnc32)C1 ZINC000328735879 947003905 /nfs/dbraw/zinc/00/39/05/947003905.db2.gz KURRKHNVSWSUMI-OMNBBPDLSA-N 1 0 374.510 3.541 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000328750379 947009602 /nfs/dbraw/zinc/00/96/02/947009602.db2.gz RDPBAQAMMAKGTO-HZEGPAAWSA-N 1 0 370.537 3.936 20 30 FHEDRO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328811052 947032407 /nfs/dbraw/zinc/03/24/07/947032407.db2.gz MTAXCCSSDHHHRQ-JQERWDHBSA-N 1 0 360.498 3.648 20 30 FHEDRO O=C(CN1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)NC1CC1 ZINC000328821608 947038059 /nfs/dbraw/zinc/03/80/59/947038059.db2.gz RERHOFZAKBTAET-HNNXBMFYSA-N 1 0 360.502 3.881 20 30 FHEDRO COc1ccccc1-c1noc(C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000328853142 947065901 /nfs/dbraw/zinc/06/59/01/947065901.db2.gz SLXNJUNXQODFCX-ZBFHGGJFSA-N 1 0 352.438 3.617 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCC3(C)CCCC3)cc2)CC1 ZINC000328855343 947066476 /nfs/dbraw/zinc/06/64/76/947066476.db2.gz CQWUGFBDWRNPSZ-UHFFFAOYSA-N 1 0 359.514 3.744 20 30 FHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444686144 947088639 /nfs/dbraw/zinc/08/86/39/947088639.db2.gz RMGYRUFDYLUKTM-IBGZPJMESA-N 1 0 361.489 3.985 20 30 FHEDRO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)c1 ZINC000328936941 947092302 /nfs/dbraw/zinc/09/23/02/947092302.db2.gz CTORSBMTVIVXFM-HKJQZYRSSA-N 1 0 360.498 3.532 20 30 FHEDRO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000328938971 947093287 /nfs/dbraw/zinc/09/32/87/947093287.db2.gz KFVFRFFEPMZGHG-SJLPKXTDSA-N 1 0 362.518 3.763 20 30 FHEDRO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328940031 947094753 /nfs/dbraw/zinc/09/47/53/947094753.db2.gz SGGDTIRLPJUIEQ-MJGOQNOKSA-N 1 0 367.497 3.821 20 30 FHEDRO CCn1c2ccccc2nc1SCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328954594 947099692 /nfs/dbraw/zinc/09/96/92/947099692.db2.gz YKVRJNXUUXUONA-HZPDHXFCSA-N 1 0 358.511 3.732 20 30 FHEDRO C[C@H]1C[C@@H](C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCC1=O ZINC000328954770 947101030 /nfs/dbraw/zinc/10/10/30/947101030.db2.gz MYKWQTRCKGNDNY-WMZOPIPTSA-N 1 0 369.509 3.812 20 30 FHEDRO Cc1ncc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000328905062 947102198 /nfs/dbraw/zinc/10/21/98/947102198.db2.gz AMGJOMPPGBKJDD-BLLLJJGKSA-N 1 0 350.825 3.508 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OCCCC#N ZINC000544610451 947109399 /nfs/dbraw/zinc/10/93/99/947109399.db2.gz OZMFXYNVFXUAPI-ZWKOTPCHSA-N 1 0 360.498 3.607 20 30 FHEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000328932253 947115338 /nfs/dbraw/zinc/11/53/38/947115338.db2.gz DHPQVOAXOCFBTG-INIZCTEOSA-N 1 0 372.513 3.928 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000049799061 947158652 /nfs/dbraw/zinc/15/86/52/947158652.db2.gz VVKIVGPNAHHNQS-LJQANCHMSA-N 1 0 373.522 3.757 20 30 FHEDRO CC(=O)Nc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000330409389 947169905 /nfs/dbraw/zinc/16/99/05/947169905.db2.gz QLBGDEXEFFLFLF-LJQANCHMSA-N 1 0 360.502 3.727 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444751561 947188033 /nfs/dbraw/zinc/18/80/33/947188033.db2.gz FEQRXZTVDXKHFS-QZTJIDSGSA-N 1 0 357.498 3.698 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000330500753 947202969 /nfs/dbraw/zinc/20/29/69/947202969.db2.gz QWTHKHVPZCZZFF-ZIAGYGMSSA-N 1 0 353.532 3.626 20 30 FHEDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330549098 947205868 /nfs/dbraw/zinc/20/58/68/947205868.db2.gz RBWWCVGSXCGRBO-GFCCVEGCSA-N 1 0 360.424 3.693 20 30 FHEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)cc1 ZINC000093770821 947212755 /nfs/dbraw/zinc/21/27/55/947212755.db2.gz QSUDMAUNJPUDSE-KRWDZBQOSA-N 1 0 356.432 3.958 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)Cc1ccccc1Br ZINC000662079152 947214238 /nfs/dbraw/zinc/21/42/38/947214238.db2.gz KVIUOEKARPNIGC-IYBDPMFKSA-N 1 0 363.299 3.591 20 30 FHEDRO CCN(C)C(=O)c1cccc(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000330612240 947216455 /nfs/dbraw/zinc/21/64/55/947216455.db2.gz WYTVIRJTLRDAJR-CALCHBBNSA-N 1 0 373.541 3.840 20 30 FHEDRO C=CC[C@@H]1[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CCCC1(C)C ZINC000444788428 947228734 /nfs/dbraw/zinc/22/87/34/947228734.db2.gz VILUKPVZXWMJBJ-KRWDZBQOSA-N 1 0 366.527 3.631 20 30 FHEDRO C=CC[C@@H]1[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CCCC1(C)C ZINC000444794458 947233332 /nfs/dbraw/zinc/23/33/32/947233332.db2.gz VXDDGLNFJZYWND-SFHVURJKSA-N 1 0 350.528 3.504 20 30 FHEDRO CC(C)N(C)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cn1 ZINC000475442252 947237537 /nfs/dbraw/zinc/23/75/37/947237537.db2.gz SGNKMUOFEGBTBH-UHFFFAOYSA-N 1 0 364.493 3.841 20 30 FHEDRO COc1cc(NC(=O)N2CC[NH+](CC(C)C)CC2)cc(OC)c1C(C)C ZINC000330715392 947257198 /nfs/dbraw/zinc/25/71/98/947257198.db2.gz SVQFENQLYBAMGA-UHFFFAOYSA-N 1 0 363.502 3.646 20 30 FHEDRO Cc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1NC(=O)NC(C)(C)C ZINC000330788640 947286052 /nfs/dbraw/zinc/28/60/52/947286052.db2.gz QZOOAZZFCKOHFS-HNNXBMFYSA-N 1 0 372.513 3.884 20 30 FHEDRO CC[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC[C@@H]1c1ccccc1 ZINC000599304841 947303413 /nfs/dbraw/zinc/30/34/13/947303413.db2.gz RJDJVCVRWMNZMU-NRSPTQNISA-N 1 0 356.510 3.573 20 30 FHEDRO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000248734935 947310506 /nfs/dbraw/zinc/31/05/06/947310506.db2.gz KNPXCHQSJYJIBL-FVJLSDCUSA-N 1 0 363.461 3.643 20 30 FHEDRO C=CC[C@H]1N(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCCC1(C)C ZINC000444886028 947311748 /nfs/dbraw/zinc/31/17/48/947311748.db2.gz OJCZPEVONNBAMT-HXUWFJFHSA-N 1 0 370.541 3.822 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(C)C)c(OC)c2)C[C@@H]1C ZINC000330964238 947317909 /nfs/dbraw/zinc/31/79/09/947317909.db2.gz CAYPEUBMYCJTGJ-DOTOQJQBSA-N 1 0 363.502 3.833 20 30 FHEDRO C=CC[NH+]1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301403373 947328357 /nfs/dbraw/zinc/32/83/57/947328357.db2.gz RYAVCVLXPWCWFG-UHFFFAOYSA-N 1 0 374.319 3.584 20 30 FHEDRO CC(C)Cc1ccc([C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C2CC2)cc1 ZINC000599353070 947334176 /nfs/dbraw/zinc/33/41/76/947334176.db2.gz KOELMIKYBIKIJB-YADHBBJMSA-N 1 0 370.537 3.997 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)C[C@H]1C ZINC000331109653 947348144 /nfs/dbraw/zinc/34/81/44/947348144.db2.gz HUBLFJBYJPRTQM-AEFFLSMTSA-N 1 0 374.529 3.940 20 30 FHEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000331119480 947351271 /nfs/dbraw/zinc/35/12/71/947351271.db2.gz LRBZNEUXOQDQSB-RDJZCZTQSA-N 1 0 360.502 3.694 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(NC(C)=O)cc2Cl)C[C@@H]1C ZINC000331125990 947353143 /nfs/dbraw/zinc/35/31/43/947353143.db2.gz NSYPGLASTQOCDB-WFASDCNBSA-N 1 0 366.893 3.649 20 30 FHEDRO CC(C)C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1cccs1 ZINC000331228767 947364967 /nfs/dbraw/zinc/36/49/67/947364967.db2.gz OTBALDSJDZWDNB-HOTGVXAUSA-N 1 0 367.559 3.526 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000331205664 947370616 /nfs/dbraw/zinc/37/06/16/947370616.db2.gz ZHQPFSYYCAJNCB-UHFFFAOYSA-N 1 0 370.247 3.536 20 30 FHEDRO CC(=O)Nc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(Cl)c1 ZINC000331236506 947377137 /nfs/dbraw/zinc/37/71/37/947377137.db2.gz HLUXIJGSFXDPLS-OAHLLOKOSA-N 1 0 366.893 3.650 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000126780982 947400798 /nfs/dbraw/zinc/40/07/98/947400798.db2.gz MROPUVVDTXNABA-PBHICJAKSA-N 1 0 365.880 3.675 20 30 FHEDRO COc1cc(CNc2cccc(C[NH+]3CCSCC3)c2)ccc1C#N ZINC000440633764 947425562 /nfs/dbraw/zinc/42/55/62/947425562.db2.gz HPGSSVQWVGQKBX-UHFFFAOYSA-N 1 0 353.491 3.728 20 30 FHEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1-n1cncn1 ZINC000093872145 947430248 /nfs/dbraw/zinc/43/02/48/947430248.db2.gz FSBDAAXIKIKTPX-RBBKRZOGSA-N 1 0 357.461 3.848 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C)nn1C(C)(C)C)C(C)C ZINC000523632082 947441807 /nfs/dbraw/zinc/44/18/07/947441807.db2.gz WSZPJZHLCOWJRJ-KRWDZBQOSA-N 1 0 361.534 3.767 20 30 FHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CC1CCCCC1)c1ccccc1 ZINC000523623609 947453693 /nfs/dbraw/zinc/45/36/93/947453693.db2.gz PKMDGOSWWVLGRE-LPHOPBHVSA-N 1 0 357.498 3.688 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652604074 947461128 /nfs/dbraw/zinc/46/11/28/947461128.db2.gz UMBNFSLQKPBSMU-BJLQDIEVSA-N 1 0 357.498 3.555 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC(C)(C)c1nc(C)cs1)C(C)C ZINC000523916926 947715220 /nfs/dbraw/zinc/71/52/20/947715220.db2.gz KOQWGOKXPJRLJO-INIZCTEOSA-N 1 0 364.559 3.684 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298392 947720965 /nfs/dbraw/zinc/72/09/65/947720965.db2.gz VXKJGKOJAVARSF-SFHVURJKSA-N 1 0 373.566 3.615 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c(Br)c1 ZINC000128749758 947730766 /nfs/dbraw/zinc/73/07/66/947730766.db2.gz GIBCQGFCGVTUGK-IRXDYDNUSA-N 1 0 359.271 3.791 20 30 FHEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000189518368 947751434 /nfs/dbraw/zinc/75/14/34/947751434.db2.gz FZDHHUYSXLLZBL-YTQUADARSA-N 1 0 359.539 3.976 20 30 FHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459001199 947772588 /nfs/dbraw/zinc/77/25/88/947772588.db2.gz BKYRXWOADXXIAI-IRXDYDNUSA-N 1 0 362.543 3.684 20 30 FHEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000613889576 947783775 /nfs/dbraw/zinc/78/37/75/947783775.db2.gz LWXYDYHKTQQCDJ-AWEZNQCLSA-N 1 0 352.438 3.851 20 30 FHEDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662422727 947793003 /nfs/dbraw/zinc/79/30/03/947793003.db2.gz ISSSOCCMPCQWQJ-LLVKDONJSA-N 1 0 374.300 3.689 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549599079 947801917 /nfs/dbraw/zinc/80/19/17/947801917.db2.gz BSNNJSACMZHFQA-SFHVURJKSA-N 1 0 357.546 3.824 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CCC[NH2+]1 ZINC000662473829 947842442 /nfs/dbraw/zinc/84/24/42/947842442.db2.gz MNTWBGQXSYADRP-QFIPXVFZSA-N 1 0 369.509 3.504 20 30 FHEDRO COCC[N@H+](CCOc1ccc(SC)cc1)Cc1ccc(C#N)cc1 ZINC000441478347 947868452 /nfs/dbraw/zinc/86/84/52/947868452.db2.gz DWRKBAOOTRCDFJ-UHFFFAOYSA-N 1 0 356.491 3.808 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CCC[NH2+]1 ZINC000662530256 947897999 /nfs/dbraw/zinc/89/79/99/947897999.db2.gz NSYZSZMKHYRXBP-KRWDZBQOSA-N 1 0 364.371 3.528 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)CCC[NH2+]1 ZINC000662674818 947972737 /nfs/dbraw/zinc/97/27/37/947972737.db2.gz FCQFGCBMJKFJNT-HXUWFJFHSA-N 1 0 371.868 3.951 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CCC[NH2+]1 ZINC000662685842 947979309 /nfs/dbraw/zinc/97/93/09/947979309.db2.gz YWQQNRDDNJUDBU-OAQYLSRUSA-N 1 0 352.482 3.692 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000025865983 948009457 /nfs/dbraw/zinc/00/94/57/948009457.db2.gz MZWYYLWXHGZTSD-JOCHJYFZSA-N 1 0 372.468 3.872 20 30 FHEDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236799347 948044419 /nfs/dbraw/zinc/04/44/19/948044419.db2.gz XDYWQFJHSGMFKB-QGZVFWFLSA-N 1 0 365.477 3.797 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000180155658 948053209 /nfs/dbraw/zinc/05/32/09/948053209.db2.gz FZAUVLMAESFHTO-IRXDYDNUSA-N 1 0 353.510 3.728 20 30 FHEDRO Cc1nccn1CCCNc1c(Br)cc(Cl)cc1C#N ZINC000585707377 948222496 /nfs/dbraw/zinc/22/24/96/948222496.db2.gz LFGGTZQTMKIVPL-UHFFFAOYSA-N 1 0 353.651 3.981 20 30 FHEDRO CC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543944184 948239521 /nfs/dbraw/zinc/23/95/21/948239521.db2.gz IQAYHZQAAGYZRE-INIZCTEOSA-N 1 0 350.466 3.537 20 30 FHEDRO N#CCN1CCC([NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000585764901 948275271 /nfs/dbraw/zinc/27/52/71/948275271.db2.gz ZDEHBEUUEMVFFN-MSOLQXFVSA-N 1 0 351.416 3.919 20 30 FHEDRO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000473994936 948297338 /nfs/dbraw/zinc/29/73/38/948297338.db2.gz ZAOFNVMWKUVMEK-CQSZACIVSA-N 1 0 366.273 3.822 20 30 FHEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000585794460 948297844 /nfs/dbraw/zinc/29/78/44/948297844.db2.gz XNHFHQDXHVXWAU-QRQCRPRQSA-N 1 0 364.468 3.974 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3ccc(F)cc3)C3CC3)CC2)nc1 ZINC000585794105 948301445 /nfs/dbraw/zinc/30/14/45/948301445.db2.gz DWEVMOGRYQLMBU-NRFANRHFSA-N 1 0 350.441 3.802 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cscc2C#N)C1 ZINC000432396579 948326764 /nfs/dbraw/zinc/32/67/64/948326764.db2.gz DMYWXQDHTBSOFG-OAHLLOKOSA-N 1 0 353.491 3.782 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000585816125 948432079 /nfs/dbraw/zinc/43/20/79/948432079.db2.gz YFZVROYNKTXVKJ-LSDHHAIUSA-N 1 0 359.433 3.626 20 30 FHEDRO COc1cccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC001167845761 948440563 /nfs/dbraw/zinc/44/05/63/948440563.db2.gz TXMSIZKTGUGLBD-MRXNPFEDSA-N 1 0 363.461 3.522 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000549626950 948484996 /nfs/dbraw/zinc/48/49/96/948484996.db2.gz VXYUAGASSLFRES-SEPFQZFQSA-N 1 0 359.473 3.835 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000520683335 948578194 /nfs/dbraw/zinc/57/81/94/948578194.db2.gz SHIDPUGNMBKTPB-YZGWKJHDSA-N 1 0 350.547 3.621 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2-n2nc(C)cc2C)CC1 ZINC000520697877 948604893 /nfs/dbraw/zinc/60/48/93/948604893.db2.gz ZIPGJTOBBPXMQG-UHFFFAOYSA-N 1 0 367.497 3.651 20 30 FHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000507806283 948701563 /nfs/dbraw/zinc/70/15/63/948701563.db2.gz MAENACABRPVWCC-UHFFFAOYSA-N 1 0 359.489 3.555 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000106562919 948708151 /nfs/dbraw/zinc/70/81/51/948708151.db2.gz MMNHTXLRNQWUMN-AWEZNQCLSA-N 1 0 364.559 3.841 20 30 FHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438634165 948746722 /nfs/dbraw/zinc/74/67/22/948746722.db2.gz PXQLYBGOWWMLSI-UHFFFAOYSA-N 1 0 368.403 3.821 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000110304358 206073611 /nfs/dbraw/zinc/07/36/11/206073611.db2.gz XCDFNELZFWISAX-QGZVFWFLSA-N 1 0 371.500 3.811 20 30 FHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000601743684 567833555 /nfs/dbraw/zinc/83/35/55/567833555.db2.gz DYRADNQFGYMJRU-HXUWFJFHSA-N 1 0 353.510 3.626 20 30 FHEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(C#N)cc1Cl ZINC000366005430 567835882 /nfs/dbraw/zinc/83/58/82/567835882.db2.gz CVRYBWXJOVDKPY-JTWUUNPKSA-N 1 0 361.917 3.752 20 30 FHEDRO CCCCCc1nc2ccccc2n1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000601955222 567885213 /nfs/dbraw/zinc/88/52/13/567885213.db2.gz USQLWVYEIBMVOS-KRWDZBQOSA-N 1 0 355.482 3.840 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000584662983 567940137 /nfs/dbraw/zinc/94/01/37/567940137.db2.gz QLAKOEIPICRTNJ-QFIPXVFZSA-N 1 0 361.489 3.522 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000541846230 567962174 /nfs/dbraw/zinc/96/21/74/567962174.db2.gz FTLOUHXWUPPKLR-GFCCVEGCSA-N 1 0 358.239 3.610 20 30 FHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000161736948 567963275 /nfs/dbraw/zinc/96/32/75/567963275.db2.gz QGOLCEKDWCTKCH-IBGZPJMESA-N 1 0 365.437 3.571 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000541846237 567972434 /nfs/dbraw/zinc/97/24/34/567972434.db2.gz FTLOUHXWUPPKLR-LBPRGKRZSA-N 1 0 358.239 3.610 20 30 FHEDRO Cc1cc(F)ccc1N(CC#N)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000602385928 567974060 /nfs/dbraw/zinc/97/40/60/567974060.db2.gz FLDSYXBTRBQOCJ-UHFFFAOYSA-N 1 0 365.452 3.903 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1N[C@@H](C)CC1(C#N)CCOCC1 ZINC000602489761 567986028 /nfs/dbraw/zinc/98/60/28/567986028.db2.gz OYGXADVXERDWRL-SFHVURJKSA-N 1 0 359.514 3.918 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000602515214 567986529 /nfs/dbraw/zinc/98/65/29/567986529.db2.gz OOZDYOCMUXOOHR-WMLDXEAASA-N 1 0 367.415 3.898 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000602515212 567986555 /nfs/dbraw/zinc/98/65/55/567986555.db2.gz OOZDYOCMUXOOHR-RHSMWYFYSA-N 1 0 367.415 3.898 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000602515813 567986644 /nfs/dbraw/zinc/98/66/44/567986644.db2.gz ZDFDRVCLCMPUOI-AWEZNQCLSA-N 1 0 356.388 3.816 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(F)ccc1Br ZINC000602517862 567986779 /nfs/dbraw/zinc/98/67/79/567986779.db2.gz JXBXEDBFZZOMQO-LBPRGKRZSA-N 1 0 355.251 3.777 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000602522260 567987326 /nfs/dbraw/zinc/98/73/26/567987326.db2.gz UBZCJDHCDJAANO-CQSZACIVSA-N 1 0 356.388 3.773 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1cc(Br)ccc1F ZINC000602525614 567987695 /nfs/dbraw/zinc/98/76/95/567987695.db2.gz AXWIOYQZCJPZNC-CYBMUJFWSA-N 1 0 369.278 3.819 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(F)cc1Br ZINC000602527799 567988010 /nfs/dbraw/zinc/98/80/10/567988010.db2.gz MMLNYLARHBJJLJ-LBPRGKRZSA-N 1 0 355.251 3.777 20 30 FHEDRO COc1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1Br ZINC000602528243 567988035 /nfs/dbraw/zinc/98/80/35/567988035.db2.gz QSFASZLGJOXLFX-CYBMUJFWSA-N 1 0 367.287 3.646 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000602529161 567988125 /nfs/dbraw/zinc/98/81/25/567988125.db2.gz QXJRSONGGDLLTI-CYBMUJFWSA-N 1 0 369.278 3.819 20 30 FHEDRO CC[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)N1CCc2ccccc2C1 ZINC000602512710 567989428 /nfs/dbraw/zinc/98/94/28/567989428.db2.gz SICKMBNZOIAQTF-GHTZIAJQSA-N 1 0 355.526 3.512 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(Br)cc1 ZINC000602544868 567990015 /nfs/dbraw/zinc/99/00/15/567990015.db2.gz DYPSEBXHDMWAJT-AWEZNQCLSA-N 1 0 351.288 3.680 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000602533916 567992086 /nfs/dbraw/zinc/99/20/86/567992086.db2.gz QRAZHPKAIRDWDO-SJORKVTESA-N 1 0 361.917 3.855 20 30 FHEDRO CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]([NH3+])CCCC#N ZINC000602535689 567992219 /nfs/dbraw/zinc/99/22/19/567992219.db2.gz XMSPRUNMSSYCLW-MRXNPFEDSA-N 1 0 355.404 3.711 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000602578995 567993484 /nfs/dbraw/zinc/99/34/84/567993484.db2.gz QKFIAHUVTIDOHA-UTUOFQBUSA-N 1 0 374.432 3.939 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000602581580 567993747 /nfs/dbraw/zinc/99/37/47/567993747.db2.gz USEASPKQESMWOK-JKSUJKDBSA-N 1 0 354.454 3.529 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000602591287 567995034 /nfs/dbraw/zinc/99/50/34/567995034.db2.gz YKQCOLPCQNUOKR-MGPUTAFESA-N 1 0 374.481 3.848 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000602568751 567995862 /nfs/dbraw/zinc/99/58/62/567995862.db2.gz LWJWXGFNUREXJP-AAEUAGOBSA-N 1 0 360.811 3.862 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000521423922 567996724 /nfs/dbraw/zinc/99/67/24/567996724.db2.gz FSCBCXZCTVNXDZ-RBBKRZOGSA-N 1 0 350.462 3.915 20 30 FHEDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)OC(C)C ZINC000602620624 567998580 /nfs/dbraw/zinc/99/85/80/567998580.db2.gz YOPDAZVLNIBZGL-FXAWDEMLSA-N 1 0 360.498 3.850 20 30 FHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602856894 568002565 /nfs/dbraw/zinc/00/25/65/568002565.db2.gz SZARLYOKVBMKOX-AZUAARDMSA-N 1 0 362.477 3.596 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000602674495 568008695 /nfs/dbraw/zinc/00/86/95/568008695.db2.gz CXZJLDYVGLQSMC-KBPBESRZSA-N 1 0 369.303 3.801 20 30 FHEDRO N#CC1CCC([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1 ZINC000602683876 568010656 /nfs/dbraw/zinc/01/06/56/568010656.db2.gz UFNJFXNQKIYKLR-BCLQGDPASA-N 1 0 356.420 3.815 20 30 FHEDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)s1 ZINC000602953637 568028406 /nfs/dbraw/zinc/02/84/06/568028406.db2.gz AFEQUBLQVNEBJA-CHWSQXEVSA-N 1 0 374.535 3.993 20 30 FHEDRO CN1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000568449181 568039301 /nfs/dbraw/zinc/03/93/01/568039301.db2.gz ULTVVGFAEZSQTA-VQTJNVASSA-N 1 0 355.869 3.625 20 30 FHEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000568456668 568039946 /nfs/dbraw/zinc/03/99/46/568039946.db2.gz JIQPLNUFCIBGRJ-INIZCTEOSA-N 1 0 350.466 3.760 20 30 FHEDRO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330265597 568041450 /nfs/dbraw/zinc/04/14/50/568041450.db2.gz ZLNXKORDPSYIFR-MRXNPFEDSA-N 1 0 366.889 3.554 20 30 FHEDRO N#Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1F ZINC000481621932 568068795 /nfs/dbraw/zinc/06/87/95/568068795.db2.gz GVTGYFMOQSKWLT-CQSZACIVSA-N 1 0 372.469 3.793 20 30 FHEDRO CCC[C@H]([NH3+])c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603180992 568073978 /nfs/dbraw/zinc/07/39/78/568073978.db2.gz QRRMCTUWPJRTHT-FQEVSTJZSA-N 1 0 359.477 3.978 20 30 FHEDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481647061 568080474 /nfs/dbraw/zinc/08/04/74/568080474.db2.gz ZKMZZBAGQDYCDO-ZHRRBRCNSA-N 1 0 372.472 3.714 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000481656443 568081462 /nfs/dbraw/zinc/08/14/62/568081462.db2.gz XXCAZPYFZWHFHZ-HXUWFJFHSA-N 1 0 372.465 3.528 20 30 FHEDRO CCc1ccc(C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000603845741 568157126 /nfs/dbraw/zinc/15/71/26/568157126.db2.gz NKQFMVLSVQRTJO-JOCHJYFZSA-N 1 0 364.489 3.719 20 30 FHEDRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000603888357 568177172 /nfs/dbraw/zinc/17/71/72/568177172.db2.gz UWJHULGZHHJKCG-NSHDSACASA-N 1 0 372.321 3.578 20 30 FHEDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481913854 568182067 /nfs/dbraw/zinc/18/20/67/568182067.db2.gz HXTQVFOHAVLYQY-KNQAVFIVSA-N 1 0 350.462 3.664 20 30 FHEDRO CCOC(=O)c1csc(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000481989402 568215863 /nfs/dbraw/zinc/21/58/63/568215863.db2.gz BCUAWKLISKHTAV-KRWDZBQOSA-N 1 0 369.490 3.791 20 30 FHEDRO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000563125387 568256702 /nfs/dbraw/zinc/25/67/02/568256702.db2.gz OKPKEGRFSIWDJF-NHCUHLMSSA-N 1 0 369.896 3.568 20 30 FHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000128758471 568259111 /nfs/dbraw/zinc/25/91/11/568259111.db2.gz WHHONWFOWYWFGQ-QGZVFWFLSA-N 1 0 363.461 3.869 20 30 FHEDRO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000303638359 568268118 /nfs/dbraw/zinc/26/81/18/568268118.db2.gz HHOKNOYEBFHKHV-HGHGUNKESA-N 1 0 357.473 3.626 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)nc1 ZINC000569018228 568271522 /nfs/dbraw/zinc/27/15/22/568271522.db2.gz XSFMLBWITJGZSZ-INIZCTEOSA-N 1 0 363.396 3.522 20 30 FHEDRO Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000604500752 568301694 /nfs/dbraw/zinc/30/16/94/568301694.db2.gz QNXYMAALFREQOI-QFIPXVFZSA-N 1 0 366.505 3.959 20 30 FHEDRO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604501462 568301827 /nfs/dbraw/zinc/30/18/27/568301827.db2.gz XLIOMBDFGPADCP-FQEVSTJZSA-N 1 0 356.441 3.542 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)ccc1OC ZINC000604768526 568362590 /nfs/dbraw/zinc/36/25/90/568362590.db2.gz RVCDSNZTJPOWHA-YLJYHZDGSA-N 1 0 355.478 3.904 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC#Cc2ccccc2)CC1 ZINC000604785692 568366485 /nfs/dbraw/zinc/36/64/85/568366485.db2.gz VHBZIHRURMUFNG-LJQANCHMSA-N 1 0 361.489 3.563 20 30 FHEDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000569723631 568413954 /nfs/dbraw/zinc/41/39/54/568413954.db2.gz MBGDYODIGATWFQ-BEFAXECRSA-N 1 0 361.449 3.583 20 30 FHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000570569332 568487705 /nfs/dbraw/zinc/48/77/05/568487705.db2.gz OEHFIZHXTAMWLD-UONOGXRCSA-N 1 0 368.437 3.606 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@H]1CCOc2ccccc21)C(C)C ZINC000605128116 568580218 /nfs/dbraw/zinc/58/02/18/568580218.db2.gz XJURCHPFUDDINP-ICSRJNTNSA-N 1 0 356.510 3.758 20 30 FHEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)Cc2cccc(F)c2)cc1 ZINC000049981447 568645966 /nfs/dbraw/zinc/64/59/66/568645966.db2.gz GFQYBPCDWDPWOJ-UHFFFAOYSA-N 1 0 373.431 3.999 20 30 FHEDRO CCN1CCC[C@@H](C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632998 571325358 /nfs/dbraw/zinc/32/53/58/571325358.db2.gz LRWRZNFWYNOBAN-RBDMOPTHSA-N 1 0 365.525 3.758 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)cc1F ZINC000225536765 571337074 /nfs/dbraw/zinc/33/70/74/571337074.db2.gz TWSIGULIBTWMCW-CYBMUJFWSA-N 1 0 352.335 3.819 20 30 FHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000819730314 606997778 /nfs/dbraw/zinc/99/77/78/606997778.db2.gz VOMLTAUPNITQLV-CQSZACIVSA-N 1 0 369.856 3.849 20 30 FHEDRO C=CCOc1ccc(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000823932147 608520974 /nfs/dbraw/zinc/52/09/74/608520974.db2.gz PYUHQTOWUNGARZ-UHFFFAOYSA-N 1 0 369.856 3.717 20 30 FHEDRO C[N+](C)(C1CCCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192398631 717157511 /nfs/dbraw/zinc/15/75/11/717157511.db2.gz YHMRIBMJWLCNAC-INIZCTEOSA-N 1 0 352.296 3.573 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@H]43)cnc2Cl)c1 ZINC001164412735 718878071 /nfs/dbraw/zinc/87/80/71/718878071.db2.gz YDVAKWMZQQPJIJ-IAGOWNOFSA-N 1 0 374.822 3.759 20 30 FHEDRO CC(C)C[NH+]1CCN(c2nc3cc(F)c(F)cc3c(Cl)c2C#N)CC1 ZINC001164663250 719340778 /nfs/dbraw/zinc/34/07/78/719340778.db2.gz XLEHHRVODZERHN-UHFFFAOYSA-N 1 0 364.827 3.816 20 30 FHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726883 720473348 /nfs/dbraw/zinc/47/33/48/720473348.db2.gz MWAXYCRLFGDVJP-CVEARBPZSA-N 1 0 374.275 3.508 20 30 FHEDRO CC(C)c1ccc(C#N)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164855850 720929693 /nfs/dbraw/zinc/92/96/93/720929693.db2.gz JOHYIUCJCJDSAV-INIZCTEOSA-N 1 0 366.513 3.695 20 30 FHEDRO CSc1nc(Cl)c(C#N)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165048230 721964674 /nfs/dbraw/zinc/96/46/74/721964674.db2.gz XVNZROWYBSHFHD-CYBMUJFWSA-N 1 0 365.934 3.568 20 30 FHEDRO Cc1cc(C#N)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C ZINC001164992859 722197740 /nfs/dbraw/zinc/19/77/40/722197740.db2.gz BIQAKQPIJDZSKA-JOCHJYFZSA-N 1 0 364.468 3.954 20 30 FHEDRO CC(C)(C)OC(=O)C1(Nc2nc(C(C)(C)C)ccc2C#N)CCC([NH3+])CC1 ZINC001167642118 936322904 /nfs/dbraw/zinc/32/29/04/936322904.db2.gz CVTIHVMXLKYYJR-UHFFFAOYSA-N 1 0 372.513 3.644 20 30 FHEDRO CC(C)(C)OC(=O)C1(Nc2ncc(C#N)c3ccsc32)CCC([NH3+])CC1 ZINC001167642373 936326143 /nfs/dbraw/zinc/32/61/43/936326143.db2.gz JCVOETKKURZICO-UHFFFAOYSA-N 1 0 372.494 3.562 20 30 FHEDRO C=CCCC[C@@H](C)[N@@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000091510199 936326366 /nfs/dbraw/zinc/32/63/66/936326366.db2.gz VBSXSJZGCJOURU-LJQANCHMSA-N 1 0 358.526 3.907 20 30 FHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2)C1 ZINC000583421962 936344090 /nfs/dbraw/zinc/34/40/90/936344090.db2.gz VTYIIXWWDXRHLE-JTSKRJEESA-N 1 0 367.493 3.820 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)c2sccc2C#N)c2ccccc2)CC1 ZINC000052050250 936367597 /nfs/dbraw/zinc/36/75/97/936367597.db2.gz KBNPCQRFIFTTIM-SFHVURJKSA-N 1 0 353.491 3.823 20 30 FHEDRO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000583058967 937088154 /nfs/dbraw/zinc/08/81/54/937088154.db2.gz VXFBNDWIWVHDCQ-MRXNPFEDSA-N 1 0 364.493 3.607 20 30 FHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000246834044 927039273 /nfs/dbraw/zinc/03/92/73/927039273.db2.gz UJRIXAFQGXAXFV-IIDMSEBBSA-N 1 0 351.425 3.902 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654733966 927217598 /nfs/dbraw/zinc/21/75/98/927217598.db2.gz GDIGOSJCKIDROW-PMACEKPBSA-N 1 0 373.545 3.569 20 30 FHEDRO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCCC[C@@H]1C ZINC000120107474 927253371 /nfs/dbraw/zinc/25/33/71/927253371.db2.gz RRALIUQWYLOYLS-LPHOPBHVSA-N 1 0 365.481 3.583 20 30 FHEDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C(C)C ZINC000430149833 927359132 /nfs/dbraw/zinc/35/91/32/927359132.db2.gz QZDSUOAMSJOZMW-HOCLYGCPSA-N 1 0 354.372 3.597 20 30 FHEDRO C=CCC1(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CCCCC1 ZINC000458398518 937161819 /nfs/dbraw/zinc/16/18/19/937161819.db2.gz FIOFYOVJMDEHQF-MOPGFXCFSA-N 1 0 365.562 3.702 20 30 FHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc(C#N)cc1F ZINC000178795528 937179953 /nfs/dbraw/zinc/17/99/53/937179953.db2.gz AFNBSLWTDKQMMD-IAGOWNOFSA-N 1 0 351.469 3.944 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCC3(CC#N)CC3)cc2)C1 ZINC000430181436 927596166 /nfs/dbraw/zinc/59/61/66/927596166.db2.gz VORDPWQDTOLIQS-ROUUACIJSA-N 1 0 368.525 3.658 20 30 FHEDRO CN(C(=O)C1(c2ccc(C#N)cc2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000186959354 927612804 /nfs/dbraw/zinc/61/28/04/927612804.db2.gz FERUPFBMCWFMRR-UHFFFAOYSA-N 1 0 373.500 3.713 20 30 FHEDRO CN(CC(C)(C)C#N)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000458408566 937186242 /nfs/dbraw/zinc/18/62/42/937186242.db2.gz LCMOEDNIROFLCO-LJQANCHMSA-N 1 0 370.541 3.651 20 30 FHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1-n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001167059664 927753706 /nfs/dbraw/zinc/75/37/06/927753706.db2.gz HBISTSGGROYVAT-JTQLQIEISA-N 1 0 373.794 3.691 20 30 FHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000248042992 937198937 /nfs/dbraw/zinc/19/89/37/937198937.db2.gz MHBPOHATSNUEMQ-ZWKOTPCHSA-N 1 0 354.841 3.779 20 30 FHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000248042984 937199001 /nfs/dbraw/zinc/19/90/01/937199001.db2.gz MHBPOHATSNUEMQ-QZTJIDSGSA-N 1 0 354.841 3.779 20 30 FHEDRO C[C@@H]1C[C@@H](CCNC(=O)c2cc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000510085197 927972109 /nfs/dbraw/zinc/97/21/09/927972109.db2.gz LSAGRFCDRNDOEL-NVXWUHKLSA-N 1 0 353.491 3.650 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc2ccccc21 ZINC000023676651 928037949 /nfs/dbraw/zinc/03/79/49/928037949.db2.gz RIKRLKCGGNCEKQ-FXAWDEMLSA-N 1 0 360.457 3.996 20 30 FHEDRO Oc1ccc(Br)cc1/C=N\C1CC[NH+](Cc2ccncc2)CC1 ZINC000254950318 928470401 /nfs/dbraw/zinc/47/04/01/928470401.db2.gz UTVDDEKDSDKATJ-MTJSOVHGSA-N 1 0 374.282 3.633 20 30 FHEDRO CC(C)Oc1cccc(CN(C)CC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000535970539 937262671 /nfs/dbraw/zinc/26/26/71/937262671.db2.gz RRPKUUBPAKQJLN-UHFFFAOYSA-N 1 0 357.498 3.590 20 30 FHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001167086409 928925150 /nfs/dbraw/zinc/92/51/50/928925150.db2.gz ZLJJVKHZAYSJKQ-QFBILLFUSA-N 1 0 356.853 3.788 20 30 FHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC001167086408 928925713 /nfs/dbraw/zinc/92/57/13/928925713.db2.gz ZLJJVKHZAYSJKQ-LPHOPBHVSA-N 1 0 356.853 3.788 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2sccc2c1 ZINC000471199995 928965685 /nfs/dbraw/zinc/96/56/85/928965685.db2.gz RDSCICPEKMFPMT-UHFFFAOYSA-N 1 0 363.486 3.977 20 30 FHEDRO N#CC1(CCC[NH+]2CCC([C@H]3C(=O)Nc4ccccc43)CC2)CCOCC1 ZINC000375599195 929031549 /nfs/dbraw/zinc/03/15/49/929031549.db2.gz SJZCPVPPNDYKPP-HXUWFJFHSA-N 1 0 367.493 3.535 20 30 FHEDRO C[NH2+]Cc1c(C)nn(-c2c(C#N)c(Cl)nc3cccc(Cl)c32)c1C ZINC001167099808 929375970 /nfs/dbraw/zinc/37/59/70/929375970.db2.gz KJLNQVAFLGVHCJ-UHFFFAOYSA-N 1 0 360.248 3.935 20 30 FHEDRO N#Cc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000048217411 929458216 /nfs/dbraw/zinc/45/82/16/929458216.db2.gz LCDCWUAIGOCXIB-UHFFFAOYSA-N 1 0 362.477 3.544 20 30 FHEDRO C=CCn1c(COc2ccccc2F)nnc1SCCCn1ccnc1 ZINC000180429993 929509823 /nfs/dbraw/zinc/50/98/23/929509823.db2.gz FQJDYNUWQQFSLA-UHFFFAOYSA-N 1 0 373.457 3.561 20 30 FHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(CCC#N)CC1 ZINC000583319012 937343491 /nfs/dbraw/zinc/34/34/91/937343491.db2.gz UGHVLRZBNCUEBX-OAQYLSRUSA-N 1 0 370.541 3.868 20 30 FHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(CC#N)cc3)CCN2C2CC2)c1 ZINC000569627467 937344801 /nfs/dbraw/zinc/34/48/01/937344801.db2.gz KHIQDSNPCSVWNK-DHIUTWEWSA-N 1 0 361.489 3.829 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1Cl ZINC000275674723 929830013 /nfs/dbraw/zinc/83/00/13/929830013.db2.gz VVUUVBIOFISASC-WMZOPIPTSA-N 1 0 361.873 3.648 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000187314834 929844039 /nfs/dbraw/zinc/84/40/39/929844039.db2.gz PVODJQNHBCOFIN-UHFFFAOYSA-N 1 0 373.500 3.892 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000610322092 929926134 /nfs/dbraw/zinc/92/61/34/929926134.db2.gz NGJTWOAGLIRXDE-UWJYYQICSA-N 1 0 362.477 3.535 20 30 FHEDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000275707194 929945438 /nfs/dbraw/zinc/94/54/38/929945438.db2.gz XYKKEXVDTUUNAJ-KBNVZVJVSA-N 1 0 364.493 3.634 20 30 FHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000610331076 929981815 /nfs/dbraw/zinc/98/18/15/929981815.db2.gz NKKBYTVQSNEAKJ-CQSZACIVSA-N 1 0 354.376 3.571 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sccc1Br)C(C)C ZINC000047851876 930002853 /nfs/dbraw/zinc/00/28/53/930002853.db2.gz LRIIBYDDLXOQQV-CQSZACIVSA-N 1 0 371.344 3.939 20 30 FHEDRO Cc1ccc(F)c(N2CCC[C@@H]([NH2+][C@H](C)c3cccc(C#N)c3)C2=O)c1 ZINC000610346194 930046210 /nfs/dbraw/zinc/04/62/10/930046210.db2.gz NTMBOKDSQCEKJP-DNVCBOLYSA-N 1 0 351.425 3.852 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610346089 930047535 /nfs/dbraw/zinc/04/75/35/930047535.db2.gz KEDOPYXELBYZFY-STQMWFEESA-N 1 0 352.825 3.761 20 30 FHEDRO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610345972 930048352 /nfs/dbraw/zinc/04/83/52/930048352.db2.gz FKFWSLBJQVNVQR-STQMWFEESA-N 1 0 357.841 3.898 20 30 FHEDRO C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000610348998 930065557 /nfs/dbraw/zinc/06/55/57/930065557.db2.gz NHOMMVWTAROQTL-BRWVUGGUSA-N 1 0 356.514 3.675 20 30 FHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610356614 930109162 /nfs/dbraw/zinc/10/91/62/930109162.db2.gz WHOSUZQWTAJSPB-QGZVFWFLSA-N 1 0 364.493 3.913 20 30 FHEDRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000610360187 930123807 /nfs/dbraw/zinc/12/38/07/930123807.db2.gz VBBWXINXSBSBAE-OXJNMPFZSA-N 1 0 365.452 3.787 20 30 FHEDRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000610360185 930124111 /nfs/dbraw/zinc/12/41/11/930124111.db2.gz VBBWXINXSBSBAE-JXFKEZNVSA-N 1 0 365.452 3.787 20 30 FHEDRO C[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1ccc(C#N)cc1 ZINC000583377589 937392983 /nfs/dbraw/zinc/39/29/83/937392983.db2.gz NVDUKUUQXXIIRR-VOQZNFBZSA-N 1 0 374.488 3.535 20 30 FHEDRO CC[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C#N)cc2)(C(F)(F)F)CC1 ZINC000891211134 930238017 /nfs/dbraw/zinc/23/80/17/930238017.db2.gz CRMSRBAFEWHDIZ-UHFFFAOYSA-N 1 0 367.415 3.634 20 30 FHEDRO CCOC(=O)C1CC[NH+](Cc2cccc(NC3=CC(=O)C[C@H](C)C3)c2)CC1 ZINC001210772912 930252414 /nfs/dbraw/zinc/25/24/14/930252414.db2.gz NHSQLHMAAQZEHL-MRXNPFEDSA-N 1 0 370.493 3.757 20 30 FHEDRO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC001104291913 930302794 /nfs/dbraw/zinc/30/27/94/930302794.db2.gz ZPIBVJVORRQHON-SJLPKXTDSA-N 1 0 367.493 3.594 20 30 FHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)C[C@H]1[NH+]1CCCC1 ZINC000579468212 930322600 /nfs/dbraw/zinc/32/26/00/930322600.db2.gz XEFKFGSOWRIGQX-IAGOWNOFSA-N 1 0 372.925 3.776 20 30 FHEDRO C[C@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000610407150 930406961 /nfs/dbraw/zinc/40/69/61/930406961.db2.gz UYOIVYPLBKHZCN-KRWDZBQOSA-N 1 0 354.498 3.527 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000050091728 930424635 /nfs/dbraw/zinc/42/46/35/930424635.db2.gz LOCYSTPZTQLXPF-UHFFFAOYSA-N 1 0 370.497 3.687 20 30 FHEDRO COc1cc(OC)c(C2CC[NH+](CCCSCC#N)CC2)c(OC)c1 ZINC000610409583 930439029 /nfs/dbraw/zinc/43/90/29/930439029.db2.gz FEYOWSZQUOPHAO-UHFFFAOYSA-N 1 0 364.511 3.539 20 30 FHEDRO CCN(C[C@H](C)C#N)C(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000255387055 930493304 /nfs/dbraw/zinc/49/33/04/930493304.db2.gz BNUZZORESXLLNV-KUHUBIRLSA-N 1 0 373.547 3.765 20 30 FHEDRO C[C@H]1C[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379677390 930530520 /nfs/dbraw/zinc/53/05/20/930530520.db2.gz CKDLFZFXSACPLA-YJBOKZPZSA-N 1 0 350.422 3.931 20 30 FHEDRO C[C@@H](CCNC(=O)c1cc2ccccc2n1CC#N)[N@H+](C)Cc1ccccc1 ZINC000610434544 930565225 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372.415 3.678 20 30 FHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000610446368 930813930 /nfs/dbraw/zinc/81/39/30/930813930.db2.gz VBNIDOBYAUWVOT-LJQANCHMSA-N 1 0 361.489 3.614 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1 ZINC000580553643 930848248 /nfs/dbraw/zinc/84/82/48/930848248.db2.gz CPNWFVUYGPVNAB-YFNKSVMNSA-N 1 0 372.468 3.791 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000077317777 930960600 /nfs/dbraw/zinc/96/06/00/930960600.db2.gz SSCZDBOXBDIEJK-HXUWFJFHSA-N 1 0 354.475 3.736 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(Cl)sc2Cl)cc1 ZINC000580640795 930962848 /nfs/dbraw/zinc/96/28/48/930962848.db2.gz FJQNDEHEVURLIX-ZDUSSCGKSA-N 1 0 371.289 3.650 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000043687603 931113361 /nfs/dbraw/zinc/11/33/61/931113361.db2.gz SPQCODXYTOVJMM-UHFFFAOYSA-N 1 0 365.477 3.850 20 30 FHEDRO CO[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000160641694 931172924 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C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1cccs1 ZINC000177901533 931524391 /nfs/dbraw/zinc/52/43/91/931524391.db2.gz RLNWJAQSCYKICR-FZKQIMNGSA-N 1 0 372.469 3.963 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)s1 ZINC000187376803 931586048 /nfs/dbraw/zinc/58/60/48/931586048.db2.gz XGOCVPWIJPJYAE-CQSZACIVSA-N 1 0 365.380 3.534 20 30 FHEDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000581149353 931620066 /nfs/dbraw/zinc/62/00/66/931620066.db2.gz DQZQPBIUCIHFPM-WOJBJXKFSA-N 1 0 367.468 3.513 20 30 FHEDRO CC(C)c1ccc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000610485073 931641296 /nfs/dbraw/zinc/64/12/96/931641296.db2.gz KMUSTODQQZEVMC-UHFFFAOYSA-N 1 0 370.518 3.980 20 30 FHEDRO Cc1cc(-n2ccnc2)ccc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000581333532 931847994 /nfs/dbraw/zinc/84/79/94/931847994.db2.gz JYGBVOCZQOEZOX-UHFFFAOYSA-N 1 0 360.461 3.701 20 30 FHEDRO Oc1ccccc1/C=N\CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000255294492 931871955 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COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2OC)cc1 ZINC000157333183 932355181 /nfs/dbraw/zinc/35/51/81/932355181.db2.gz VRCQYFNXVQZEHX-IBGZPJMESA-N 1 0 352.434 3.791 20 30 FHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@H](C)COC)cc1OCC ZINC000510444144 932413939 /nfs/dbraw/zinc/41/39/39/932413939.db2.gz BBPLCMXOCPWNQF-CYBMUJFWSA-N 1 0 372.303 3.879 20 30 FHEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000477219356 932416333 /nfs/dbraw/zinc/41/63/33/932416333.db2.gz UEIRVYGWEABKHJ-LJQANCHMSA-N 1 0 350.418 3.893 20 30 FHEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000558997707 932551449 /nfs/dbraw/zinc/55/14/49/932551449.db2.gz KHWBBEPSNKKNME-LJQANCHMSA-N 1 0 353.514 3.606 20 30 FHEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000581717347 932551468 /nfs/dbraw/zinc/55/14/68/932551468.db2.gz VTFPOWISKRRIIM-RBBFLIRBSA-N 1 0 353.510 3.770 20 30 FHEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c(F)c(F)ccc1OC)CC2 ZINC001143407874 933132318 /nfs/dbraw/zinc/13/23/18/933132318.db2.gz QSXPFCWHFVFDTE-HXUWFJFHSA-N 1 0 364.436 3.507 20 30 FHEDRO CC(C)C[C@@H](CNC(=O)NCC1(CC#N)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000430843426 933304005 /nfs/dbraw/zinc/30/40/05/933304005.db2.gz XXCCEFJBXUBMGZ-HKUYNNGSSA-N 1 0 356.514 3.745 20 30 FHEDRO C[C@@H]1C[C@@H](CCNC(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000510675424 933396708 /nfs/dbraw/zinc/39/67/08/933396708.db2.gz ONGGIQSCKJZMCF-YLJYHZDGSA-N 1 0 362.477 3.980 20 30 FHEDRO COc1cccc(C2CC[NH+](CCOc3ccc(C#N)cc3OC)CC2)c1 ZINC000548403630 933468845 /nfs/dbraw/zinc/46/88/45/933468845.db2.gz QMCUPAOOSUCGKO-UHFFFAOYSA-N 1 0 366.461 3.834 20 30 FHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(F)c(C#N)c1 ZINC000548415611 933556160 /nfs/dbraw/zinc/55/61/60/933556160.db2.gz STDWPMIAXNFETF-HZPDHXFCSA-N 1 0 365.452 3.584 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510730468 933597906 /nfs/dbraw/zinc/59/79/06/933597906.db2.gz DFUXAWBRLXIJDY-CALCHBBNSA-N 1 0 372.513 3.837 20 30 FHEDRO CCN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588457172 933623467 /nfs/dbraw/zinc/62/34/67/933623467.db2.gz GVVILYYMZVXFRC-OTDUKCBNSA-N 1 0 359.473 3.694 20 30 FHEDRO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1O ZINC000176117989 933673746 /nfs/dbraw/zinc/67/37/46/933673746.db2.gz BHLZLXPBUFMCGL-SANMLTNESA-N 1 0 373.518 3.889 20 30 FHEDRO N#Cc1cc(F)c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(F)c1 ZINC000610667340 933693033 /nfs/dbraw/zinc/69/30/33/933693033.db2.gz SOMHOTBZSMUOAC-UHFFFAOYSA-N 1 0 361.436 3.565 20 30 FHEDRO C[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)CC(C)(C)CCC#N ZINC000092195921 933975511 /nfs/dbraw/zinc/97/55/11/933975511.db2.gz RTRZSSIQJHIVQF-AWEZNQCLSA-N 1 0 358.404 3.707 20 30 FHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092400363 934035802 /nfs/dbraw/zinc/03/58/02/934035802.db2.gz GVPAERALIFKURI-AZUAARDMSA-N 1 0 371.525 3.886 20 30 FHEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)N(CC)CC)CC2)ccc1OC ZINC000092593293 934102415 /nfs/dbraw/zinc/10/24/15/934102415.db2.gz JAVVJGLTVSPXJP-UHFFFAOYSA-N 1 0 374.525 3.731 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000187665768 934133909 /nfs/dbraw/zinc/13/39/09/934133909.db2.gz FVWJIWHBEHWBDF-KUHUBIRLSA-N 1 0 352.413 3.654 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)ccc1OC ZINC000092706629 934140984 /nfs/dbraw/zinc/14/09/84/934140984.db2.gz KWYMJAWHTMTVQD-IBGZPJMESA-N 1 0 374.525 3.634 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(-c2ccccc2)n1 ZINC000535809009 934416910 /nfs/dbraw/zinc/41/69/10/934416910.db2.gz BNROSDPBSGIVEJ-PMACEKPBSA-N 1 0 364.493 3.712 20 30 FHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3cccc(C#N)n3)cc2)CC1 ZINC000563099605 934442990 /nfs/dbraw/zinc/44/29/90/934442990.db2.gz JSUWHFFDOFXENC-UHFFFAOYSA-N 1 0 363.465 3.507 20 30 FHEDRO C=CCC[C@H](C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000427143257 934445862 /nfs/dbraw/zinc/44/58/62/934445862.db2.gz HSLVYTKDLGDHPZ-ZVDOUQERSA-N 1 0 358.526 3.742 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000277063672 934477391 /nfs/dbraw/zinc/47/73/91/934477391.db2.gz IFVCLFFRCZSJHT-INIZCTEOSA-N 1 0 372.900 3.928 20 30 FHEDRO CCCOc1ccc([C@H](C)[NH2+]C2CCN(CC#N)CC2)cc1OCCC ZINC000610813411 934481037 /nfs/dbraw/zinc/48/10/37/934481037.db2.gz GGGPNRGALVAJQA-KRWDZBQOSA-N 1 0 359.514 3.903 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000247648253 934514357 /nfs/dbraw/zinc/51/43/57/934514357.db2.gz LCQBAYDZNUIFPH-UHFFFAOYSA-N 1 0 372.472 3.921 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000156599872 934553963 /nfs/dbraw/zinc/55/39/63/934553963.db2.gz PFVFCFCQCWWVIK-KBXCAEBGSA-N 1 0 358.873 3.692 20 30 FHEDRO Cc1nn(-c2ccccc2)c(CN2CCC(CCC[NH+](C)C)CC2)c1C#N ZINC000091084986 934556895 /nfs/dbraw/zinc/55/68/95/934556895.db2.gz ZHZUWKLGQYKYMB-UHFFFAOYSA-N 1 0 365.525 3.606 20 30 FHEDRO CC(C)(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000176216270 934631743 /nfs/dbraw/zinc/63/17/43/934631743.db2.gz FITSBZQQLWAAPS-LJQANCHMSA-N 1 0 374.481 3.848 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)c(F)c1 ZINC000610946864 934639600 /nfs/dbraw/zinc/63/96/00/934639600.db2.gz SPYDNDIEIYORGB-IBGZPJMESA-N 1 0 358.420 3.801 20 30 FHEDRO CC(C)[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCCC1 ZINC000458313489 934668506 /nfs/dbraw/zinc/66/85/06/934668506.db2.gz UPAXFUBLQPOLQT-VQTJNVASSA-N 1 0 356.514 3.841 20 30 FHEDRO CC(C)[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCCC1 ZINC000458313488 934668608 /nfs/dbraw/zinc/66/86/08/934668608.db2.gz UPAXFUBLQPOLQT-UXHICEINSA-N 1 0 356.514 3.841 20 30 FHEDRO Cc1nnc(CNC(=[NH+]C2CCCCC2)N2CCC3(C2)CCCCC3)n1C ZINC000262021263 934780071 /nfs/dbraw/zinc/78/00/71/934780071.db2.gz YUTWOOLHGOMPIX-UHFFFAOYSA-N 1 0 372.561 3.558 20 30 FHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000472019099 934836440 /nfs/dbraw/zinc/83/64/40/934836440.db2.gz PRYGYSLNARNRKG-UHFFFAOYSA-N 1 0 373.541 3.664 20 30 FHEDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156678029 934858823 /nfs/dbraw/zinc/85/88/23/934858823.db2.gz BRNVESMGXZOVEW-SFTDATJTSA-N 1 0 360.461 3.798 20 30 FHEDRO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000538956148 934967413 /nfs/dbraw/zinc/96/74/13/934967413.db2.gz SQJXNHOWZPQNBA-OAHLLOKOSA-N 1 0 360.404 3.933 20 30 FHEDRO C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000065526982 934981972 /nfs/dbraw/zinc/98/19/72/934981972.db2.gz VLXOCXMWQWIGKK-IXDOHACOSA-N 1 0 356.514 3.675 20 30 FHEDRO Cc1cnc(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)s1 ZINC000277380565 935046998 /nfs/dbraw/zinc/04/69/98/935046998.db2.gz JRHVIKQVHCVLLE-UHFFFAOYSA-N 1 0 354.479 3.531 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000539179422 935060832 /nfs/dbraw/zinc/06/08/32/935060832.db2.gz XRDUIMMPRKUNEE-UHFFFAOYSA-N 1 0 362.477 3.510 20 30 FHEDRO CSc1ccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1C#N ZINC000892128803 935073028 /nfs/dbraw/zinc/07/30/28/935073028.db2.gz FNOAMTYRTFWGRB-SFHVURJKSA-N 1 0 368.506 3.560 20 30 FHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000157520544 935085655 /nfs/dbraw/zinc/08/56/55/935085655.db2.gz GNXKRIVPXLURTM-JSGCOSHPSA-N 1 0 371.485 3.706 20 30 FHEDRO N#Cc1cccc(OCC[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c1 ZINC001167533987 935149004 /nfs/dbraw/zinc/14/90/04/935149004.db2.gz PJLKJKQQMSEJBE-QFIPXVFZSA-N 1 0 350.462 3.699 20 30 FHEDRO C=CC[C@@H](C)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000511078364 935302501 /nfs/dbraw/zinc/30/25/01/935302501.db2.gz AACWEZVDQPHNSL-ODIFPOPNSA-N 1 0 350.890 3.700 20 30 FHEDRO C[C@](C#N)(NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C1CCCCC1 ZINC000559595748 935372356 /nfs/dbraw/zinc/37/23/56/935372356.db2.gz FVBGPNRUVMXYOQ-OAQYLSRUSA-N 1 0 371.550 3.828 20 30 FHEDRO CC[NH2+]CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414899361 945096999 /nfs/dbraw/zinc/09/69/99/945096999.db2.gz FREMPRXUCHDVDM-QGZVFWFLSA-N 1 0 356.857 3.726 20 30 FHEDRO C=CCC[C@@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)c1ccco1 ZINC000582197221 935394367 /nfs/dbraw/zinc/39/43/67/935394367.db2.gz UYTKMMFUFQPXCZ-MRXNPFEDSA-N 1 0 359.470 3.521 20 30 FHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC001167562665 935513823 /nfs/dbraw/zinc/51/38/23/935513823.db2.gz ORUGJJGGOKVGEF-CRAIPNDOSA-N 1 0 373.497 3.692 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)CC(C)C ZINC000478231456 935589339 /nfs/dbraw/zinc/58/93/39/935589339.db2.gz KXBZTDWAEQIRKD-LJQANCHMSA-N 1 0 356.514 3.603 20 30 FHEDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000582390139 935622002 /nfs/dbraw/zinc/62/20/02/935622002.db2.gz UGBXMZUTHBAWLB-KRWDZBQOSA-N 1 0 369.852 3.826 20 30 FHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000132757825 935734144 /nfs/dbraw/zinc/73/41/44/935734144.db2.gz WHGBTXAQQHWXCE-AWEZNQCLSA-N 1 0 368.868 3.562 20 30 FHEDRO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(C#N)CC1 ZINC000582470584 935755961 /nfs/dbraw/zinc/75/59/61/935755961.db2.gz SPGJJLWJZOXPOO-JTQLQIEISA-N 1 0 359.779 3.969 20 30 FHEDRO C=CCCn1cc(C[NH2+]CC(C)(C)c2ccc(C(F)(F)F)cc2)nn1 ZINC000657445102 935772647 /nfs/dbraw/zinc/77/26/47/935772647.db2.gz YQKUQTJYVFYAGG-UHFFFAOYSA-N 1 0 352.404 3.940 20 30 FHEDRO CCc1ccc([C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000023674553 935773389 /nfs/dbraw/zinc/77/33/89/935773389.db2.gz NEHHWVAMLLLYOJ-UNMCSNQZSA-N 1 0 352.478 3.847 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)nn1 ZINC000657445881 935781381 /nfs/dbraw/zinc/78/13/81/935781381.db2.gz MUVFKENSDVNYLF-AWEZNQCLSA-N 1 0 366.296 3.530 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC=C(c3ccco3)C2)cc1Cl ZINC000511146471 935794839 /nfs/dbraw/zinc/79/48/39/935794839.db2.gz YCVAOYHEXDUPAR-UHFFFAOYSA-N 1 0 355.825 3.923 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000582520212 935795357 /nfs/dbraw/zinc/79/53/57/935795357.db2.gz RGOVBYPDMZKLHI-QUCCMNQESA-N 1 0 367.541 3.906 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473856108 945124796 /nfs/dbraw/zinc/12/47/96/945124796.db2.gz UWEPUPQXJJHWNC-GOTSBHOMSA-N 1 0 370.537 3.730 20 30 FHEDRO COc1ccc(C[N@H+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1C#N ZINC000135127808 935831642 /nfs/dbraw/zinc/83/16/42/935831642.db2.gz XTCYPKSYIPVRPM-UHFFFAOYSA-N 1 0 373.497 3.835 20 30 FHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2cccs2)cc1 ZINC000255515939 935838480 /nfs/dbraw/zinc/83/84/80/935838480.db2.gz JPOADBQFQOZKSJ-ATQAJOFPSA-N 1 0 367.474 3.592 20 30 FHEDRO C[C@H](c1nc(C(C)(C)C)no1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023904209 935841319 /nfs/dbraw/zinc/84/13/19/935841319.db2.gz BBXKHKYWWIRZHT-MRXNPFEDSA-N 1 0 367.497 3.508 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)nn1 ZINC000657498114 935877385 /nfs/dbraw/zinc/87/73/85/935877385.db2.gz NTSZSBVJZSSJSW-CQSZACIVSA-N 1 0 355.873 3.636 20 30 FHEDRO CC[C@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1ccc(C#N)cc1 ZINC000375721273 935877651 /nfs/dbraw/zinc/87/76/51/935877651.db2.gz VLZOHYKZFRZIIJ-NRFANRHFSA-N 1 0 363.461 3.609 20 30 FHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc(F)c(C#N)c1)[NH+](C)C ZINC000562147365 935915801 /nfs/dbraw/zinc/91/58/01/935915801.db2.gz UMOJYTVKGSNMCF-IFXJQAMLSA-N 1 0 354.429 3.819 20 30 FHEDRO CC[NH+](CC)[C@@H](C(=O)NCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000611688187 935921118 /nfs/dbraw/zinc/92/11/18/935921118.db2.gz MCYPPTUSFSMPNM-OAHLLOKOSA-N 1 0 355.404 3.754 20 30 FHEDRO N#Cc1cc(NCC2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000166150377 935975789 /nfs/dbraw/zinc/97/57/89/935975789.db2.gz QZKLVLSLWLBCAM-UHFFFAOYSA-N 1 0 356.451 3.852 20 30 FHEDRO N#Cc1ccc(SCC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000728518588 936046701 /nfs/dbraw/zinc/04/67/01/936046701.db2.gz PKZCTPQYYWXSSF-UHFFFAOYSA-N 1 0 371.550 3.811 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCSC3(CCC3)CC2)c(-c2ccncc2)n1 ZINC000582772720 936096856 /nfs/dbraw/zinc/09/68/56/936096856.db2.gz NQUGGJOCVPGPIH-UHFFFAOYSA-N 1 0 367.522 3.720 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2cccc3ccc(OC)cc32)CC1 ZINC000153334868 936112184 /nfs/dbraw/zinc/11/21/84/936112184.db2.gz VZWMJJHNSIVTFW-UHFFFAOYSA-N 1 0 352.478 3.548 20 30 FHEDRO C[NH+]=C(NCc1c(C)noc1C)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000119577890 936128769 /nfs/dbraw/zinc/12/87/69/936128769.db2.gz VTSQBRFPMGHXJC-SFHVURJKSA-N 1 0 368.481 3.793 20 30 FHEDRO C[NH+]=C(NCc1nccs1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000119575597 936129089 /nfs/dbraw/zinc/12/90/89/936129089.db2.gz ZJBRDRVNAXYSDK-HNNXBMFYSA-N 1 0 356.495 3.645 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2C[C@@H](C)[C@H](C)C2)c1C#N ZINC000472264223 936155875 /nfs/dbraw/zinc/15/58/75/936155875.db2.gz WFFMFZVCXZSTEU-HUUCEWRRSA-N 1 0 368.481 3.534 20 30 FHEDRO N#CCCN(CC1CC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000078503906 936182702 /nfs/dbraw/zinc/18/27/02/936182702.db2.gz NMLJBAYXYQEMBB-UHFFFAOYSA-N 1 0 354.498 3.873 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC1(O)CCCCCC1 ZINC000426202537 945148783 /nfs/dbraw/zinc/14/87/83/945148783.db2.gz VKRIBGTYGVRULW-KRWDZBQOSA-N 1 0 364.555 3.668 20 30 FHEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000449677408 938269677 /nfs/dbraw/zinc/26/96/77/938269677.db2.gz AZPMCBFWPSZZBK-KGLIPLIRSA-N 1 0 356.304 3.553 20 30 FHEDRO CSc1ccc([C@H](CNc2nc3c(cc2C#N)CCC3)[NH+](C)C)cc1 ZINC000583487735 938275368 /nfs/dbraw/zinc/27/53/68/938275368.db2.gz DMMZYNDUQIYTGU-IBGZPJMESA-N 1 0 352.507 3.879 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1O ZINC000583492599 938277450 /nfs/dbraw/zinc/27/74/50/938277450.db2.gz QZBHSFGGEVILAT-RWBZWWBESA-N 1 0 367.449 3.708 20 30 FHEDRO CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000080461896 938284682 /nfs/dbraw/zinc/28/46/82/938284682.db2.gz ZPBKGOWZRGPBEC-RTWAWAEBSA-N 1 0 368.525 3.590 20 30 FHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000329221895 938293335 /nfs/dbraw/zinc/29/33/35/938293335.db2.gz VLOBDWJTGNDHSG-MJGOQNOKSA-N 1 0 372.513 3.775 20 30 FHEDRO CCC1(CNC(=O)N(C)CC(C)(C)C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000458608583 938318386 /nfs/dbraw/zinc/31/83/86/938318386.db2.gz YVCOQZBWJWHJCW-UHFFFAOYSA-N 1 0 370.541 3.870 20 30 FHEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245992522 938332292 /nfs/dbraw/zinc/33/22/92/938332292.db2.gz GSMYCBZTXKBAAU-WBVHZDCISA-N 1 0 361.873 3.897 20 30 FHEDRO C=CCOc1ccc(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000507353991 945166570 /nfs/dbraw/zinc/16/65/70/945166570.db2.gz CFSLNLUVZQPKIR-NRFANRHFSA-N 1 0 357.425 3.973 20 30 FHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458656852 938383781 /nfs/dbraw/zinc/38/37/81/938383781.db2.gz NAPLOJLUIBIRIH-ICSRJNTNSA-N 1 0 356.514 3.985 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC1(O)CCCCCC1 ZINC000426206876 945170400 /nfs/dbraw/zinc/17/04/00/945170400.db2.gz RRRYDOKEJOTWGY-CQSZACIVSA-N 1 0 363.889 3.556 20 30 FHEDRO CN(CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)Cc1cccc(C#N)c1 ZINC000052580458 938407331 /nfs/dbraw/zinc/40/73/31/938407331.db2.gz YYNFWZPPQDVFNM-UHFFFAOYSA-N 1 0 367.468 3.956 20 30 FHEDRO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247029136 938433292 /nfs/dbraw/zinc/43/32/92/938433292.db2.gz VJIAWWDLHFVPCP-AZUAARDMSA-N 1 0 358.530 3.680 20 30 FHEDRO C[C@@H](NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)c1cncc(F)c1 ZINC000329489018 938446956 /nfs/dbraw/zinc/44/69/56/938446956.db2.gz YHFGMWKSVVLOEG-VNCLNFNDSA-N 1 0 362.493 3.828 20 30 FHEDRO CC[N@H+](CCNC(=O)c1cccc(C(F)(F)F)c1F)CCC(F)(F)F ZINC000427206806 945177933 /nfs/dbraw/zinc/17/79/33/945177933.db2.gz RTUXIJRVZVDFKP-UHFFFAOYSA-N 1 0 374.300 3.849 20 30 FHEDRO Cc1ccc2nc(C)c(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc2c1 ZINC000329561522 938486147 /nfs/dbraw/zinc/48/61/47/938486147.db2.gz GERZIPPGVIJFMB-KRWDZBQOSA-N 1 0 367.493 3.657 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC(C)(C)c1ccc(C)nc1)C(C)C ZINC000546118713 945179899 /nfs/dbraw/zinc/17/98/99/945179899.db2.gz RVZZLPPQMDECHL-IBGZPJMESA-N 1 0 358.530 3.623 20 30 FHEDRO O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CC[NH+](C2CCC2)CC1 ZINC000329572305 938493716 /nfs/dbraw/zinc/49/37/16/938493716.db2.gz UYHBPEFKIFSPIF-UHFFFAOYSA-N 1 0 368.359 3.562 20 30 FHEDRO C=CCOc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000458775419 938558086 /nfs/dbraw/zinc/55/80/86/938558086.db2.gz PHWRSMHWWSOAEI-UHFFFAOYSA-N 1 0 373.522 3.586 20 30 FHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[NH+](C)C)cc1 ZINC000458779098 938562909 /nfs/dbraw/zinc/56/29/09/938562909.db2.gz ZXQGVSMORCCOKS-SESVDKBCSA-N 1 0 370.541 3.869 20 30 FHEDRO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000329640808 938568468 /nfs/dbraw/zinc/56/84/68/938568468.db2.gz XHRCBUAXHLQPOS-QRQLOZEOSA-N 1 0 374.529 3.795 20 30 FHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278610162 938581642 /nfs/dbraw/zinc/58/16/42/938581642.db2.gz FJHZVBQOPPBCIT-LSDHHAIUSA-N 1 0 353.388 3.596 20 30 FHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278610139 938581706 /nfs/dbraw/zinc/58/17/06/938581706.db2.gz FJHZVBQOPPBCIT-GJZGRUSLSA-N 1 0 353.388 3.596 20 30 FHEDRO Cc1cccc(C)c1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278619070 938587393 /nfs/dbraw/zinc/58/73/93/938587393.db2.gz JLWYIZQNLNWSGH-UHFFFAOYSA-N 1 0 359.477 3.808 20 30 FHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)C2)CC1 ZINC000458794936 938591744 /nfs/dbraw/zinc/59/17/44/938591744.db2.gz BTWOCFZLGFSDGS-RTWAWAEBSA-N 1 0 368.525 3.795 20 30 FHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458793825 938593528 /nfs/dbraw/zinc/59/35/28/938593528.db2.gz AAAKSKAYBKYRCN-AZUAARDMSA-N 1 0 356.514 3.795 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000458793884 938593533 /nfs/dbraw/zinc/59/35/33/938593533.db2.gz ADFMTCHQBOGYIY-PMACEKPBSA-N 1 0 354.498 3.691 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000458793891 938593633 /nfs/dbraw/zinc/59/36/33/938593633.db2.gz ADFMTCHQBOGYIY-WOJBJXKFSA-N 1 0 354.498 3.691 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@](C)(Cc1ccc(Cl)cc1)C(C)C ZINC000584126866 938611325 /nfs/dbraw/zinc/61/13/25/938611325.db2.gz AVZBEYFADUIQFL-VQTJNVASSA-N 1 0 363.933 3.941 20 30 FHEDRO O=C(C[N@@H+]1CCC[C@@H](C2CC2)C1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000329682106 938612468 /nfs/dbraw/zinc/61/24/68/938612468.db2.gz YOZOVJJDCGGYIV-CQSZACIVSA-N 1 0 359.861 3.631 20 30 FHEDRO COc1c(C)cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1C ZINC000584140350 938613123 /nfs/dbraw/zinc/61/31/23/938613123.db2.gz DVRIKLZPKDQKIO-UHFFFAOYSA-N 1 0 351.494 3.748 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807497 938614770 /nfs/dbraw/zinc/61/47/70/938614770.db2.gz VQQZMZIZZJLIBT-HRAATJIYSA-N 1 0 362.477 3.680 20 30 FHEDRO CCOc1ccc(O)c(/C=N\C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000588592088 938673800 /nfs/dbraw/zinc/67/38/00/938673800.db2.gz IFLXUNYJPCURDI-KUOTXRDYSA-N 1 0 368.477 3.501 20 30 FHEDRO CC(C)(C#N)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000584353019 938697056 /nfs/dbraw/zinc/69/70/56/938697056.db2.gz KKTHXIWQRXAKFF-LJQANCHMSA-N 1 0 353.510 3.685 20 30 FHEDRO Cc1ccccc1C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278735635 938701081 /nfs/dbraw/zinc/70/10/81/938701081.db2.gz UXXRUVSUKFQIQM-UHFFFAOYSA-N 1 0 371.488 3.989 20 30 FHEDRO [NH2+]=C(NCC1(Sc2ccccc2)CC1)N[C@H]1CCOc2ccccc21 ZINC000262394666 938879959 /nfs/dbraw/zinc/87/99/59/938879959.db2.gz MUMVOPMGRFXTKS-KRWDZBQOSA-N 1 0 353.491 3.739 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2c(s1)CCC2 ZINC000507409913 945214114 /nfs/dbraw/zinc/21/41/14/945214114.db2.gz XOFABHDJNPYEKM-KDOFPFPSSA-N 1 0 365.502 3.955 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1 ZINC000657865727 938905313 /nfs/dbraw/zinc/90/53/13/938905313.db2.gz VSEZXMUBPLGGAS-TZIWHRDSSA-N 1 0 355.526 3.580 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000093918839 938932170 /nfs/dbraw/zinc/93/21/70/938932170.db2.gz CHUYWGJXZCIKHZ-HOTGVXAUSA-N 1 0 353.441 3.904 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CCCC#N)c2ccccc2)[C@@H](C)C1 ZINC000458799556 938938762 /nfs/dbraw/zinc/93/87/62/938938762.db2.gz JQGFSMKNUJAKPW-IHPCNDPISA-N 1 0 356.514 3.793 20 30 FHEDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H]1c1cccc(F)c1 ZINC000472327414 938970874 /nfs/dbraw/zinc/97/08/74/938970874.db2.gz LRUITVSBZWJVIB-MFMILTCTSA-N 1 0 354.425 3.520 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCc4ccc(Cl)cc43)C2=O)cc1 ZINC000507418784 945219177 /nfs/dbraw/zinc/21/91/77/945219177.db2.gz BQBYUQWGRYEKRT-PMACEKPBSA-N 1 0 365.864 3.984 20 30 FHEDRO CC(=O)c1ccc(C#N)c(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000480560273 938991213 /nfs/dbraw/zinc/99/12/13/938991213.db2.gz FUFPUQYLNRJXES-UHFFFAOYSA-N 1 0 365.399 3.978 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611938633 938993505 /nfs/dbraw/zinc/99/35/05/938993505.db2.gz RZJXZEXYGVBNJZ-KBPBESRZSA-N 1 0 368.506 3.961 20 30 FHEDRO CC1(C(=O)N2CCCc3nc(C#N)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000892400172 938995863 /nfs/dbraw/zinc/99/58/63/938995863.db2.gz OTPFWVSBBCXYOD-UHFFFAOYSA-N 1 0 374.488 3.535 20 30 FHEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000176976882 939022848 /nfs/dbraw/zinc/02/28/48/939022848.db2.gz BEWIRNUOAYAOCC-KRWDZBQOSA-N 1 0 357.479 3.975 20 30 FHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(C)c1F ZINC000120833144 945221254 /nfs/dbraw/zinc/22/12/54/945221254.db2.gz RIXOZLROTFULHA-UHFFFAOYSA-N 1 0 353.441 3.518 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000188191732 939031537 /nfs/dbraw/zinc/03/15/37/939031537.db2.gz KZKZNFJJEGQBRU-GCJKJVERSA-N 1 0 373.500 3.759 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000188191683 939031595 /nfs/dbraw/zinc/03/15/95/939031595.db2.gz KZKZNFJJEGQBRU-XMSQKQJNSA-N 1 0 373.500 3.759 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000519218468 945224971 /nfs/dbraw/zinc/22/49/71/945224971.db2.gz QMJHNYJBVMSDNS-LJQANCHMSA-N 1 0 356.510 3.736 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000612118556 939084688 /nfs/dbraw/zinc/08/46/88/939084688.db2.gz AVQMABUQMAMLFL-CJNGLKHVSA-N 1 0 364.367 3.668 20 30 FHEDRO CCOc1cccc(/C=N/C[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)c1O ZINC000194860827 945228174 /nfs/dbraw/zinc/22/81/74/945228174.db2.gz HMDXJSBRDYKIDH-NEIHUHTASA-N 1 0 372.465 3.530 20 30 FHEDRO N#Cc1csc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612133324 939126083 /nfs/dbraw/zinc/12/60/83/939126083.db2.gz WBVHRJUDWDFMJN-IPMKNSEASA-N 1 0 365.502 3.650 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612133317 939126183 /nfs/dbraw/zinc/12/61/83/939126183.db2.gz VVWLAJLOJNGEBP-MDNUFGMLSA-N 1 0 373.500 3.897 20 30 FHEDRO CC[N@H+](Cc1cc(OC)c2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463374 939169736 /nfs/dbraw/zinc/16/97/36/939169736.db2.gz YNXOEVGMINCVOF-HNNXBMFYSA-N 1 0 352.434 3.921 20 30 FHEDRO N#CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCC1 ZINC000548889635 939199326 /nfs/dbraw/zinc/19/93/26/939199326.db2.gz SLSHPQWWWPAISZ-FCHUYYIVSA-N 1 0 373.500 3.855 20 30 FHEDRO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000507446472 945241445 /nfs/dbraw/zinc/24/14/45/945241445.db2.gz DUIFKZBLWYYJIK-GUYCJALGSA-N 1 0 368.506 3.732 20 30 FHEDRO C=CCOc1ccccc1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000506446958 945253743 /nfs/dbraw/zinc/25/37/43/945253743.db2.gz LRBMTKVYSHIQSG-GOSISDBHSA-N 1 0 354.450 3.720 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(F)c1 ZINC000507475332 945259360 /nfs/dbraw/zinc/25/93/60/945259360.db2.gz GRSVFSGUAJOLIU-VLIAUNLRSA-N 1 0 367.424 3.552 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000519271109 945263030 /nfs/dbraw/zinc/26/30/30/945263030.db2.gz UFTDYFAAZRCSFE-UHFFFAOYSA-N 1 0 357.281 3.529 20 30 FHEDRO CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000507494342 945265739 /nfs/dbraw/zinc/26/57/39/945265739.db2.gz JENNRRJOSZXRLX-YJBOKZPZSA-N 1 0 352.457 3.974 20 30 FHEDRO N#Cc1ccc(F)c(CN2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)c1F ZINC001279132698 945271037 /nfs/dbraw/zinc/27/10/37/945271037.db2.gz ABKQNMRLPVLTPQ-UHFFFAOYSA-N 1 0 373.369 3.687 20 30 FHEDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000167040477 939911748 /nfs/dbraw/zinc/91/17/48/939911748.db2.gz SQSKFLDACOCIEY-HNAYVOBHSA-N 1 0 350.422 3.931 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cccc(OC(C)C)c2)c(C#N)c1C ZINC000179670815 939913458 /nfs/dbraw/zinc/91/34/58/939913458.db2.gz OMXPRCHYLCORHT-CQSZACIVSA-N 1 0 355.438 3.845 20 30 FHEDRO CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000413702820 940029097 /nfs/dbraw/zinc/02/90/97/940029097.db2.gz ORNNDFIEPAHZFJ-VQTJNVASSA-N 1 0 353.510 3.775 20 30 FHEDRO CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000365205352 940083103 /nfs/dbraw/zinc/08/31/03/940083103.db2.gz SLDIFTNLXPJNJA-IFMALSPDSA-N 1 0 361.489 3.690 20 30 FHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)CC(C)C)cc1 ZINC000065961889 940121710 /nfs/dbraw/zinc/12/17/10/940121710.db2.gz GUDMDOAAUZIIIT-UHFFFAOYSA-N 1 0 368.481 3.501 20 30 FHEDRO C=CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CCc1ccccc1 ZINC000065959845 940122186 /nfs/dbraw/zinc/12/21/86/940122186.db2.gz MDABFBAGHBNEQA-UHFFFAOYSA-N 1 0 367.449 3.963 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C(C)C ZINC000472443838 940150497 /nfs/dbraw/zinc/15/04/97/940150497.db2.gz XSHGHKVTXRLQCU-UHFFFAOYSA-N 1 0 356.470 3.677 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000413823968 940158628 /nfs/dbraw/zinc/15/86/28/940158628.db2.gz BOWQUDAPORIERB-NHCUHLMSSA-N 1 0 355.526 3.547 20 30 FHEDRO N#CCc1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000570157466 940172391 /nfs/dbraw/zinc/17/23/91/940172391.db2.gz DGRXQHDZFAQWET-NRFANRHFSA-N 1 0 368.525 3.550 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000413835870 940173762 /nfs/dbraw/zinc/17/37/62/940173762.db2.gz OGWVPKUJXOSVRQ-ICSRJNTNSA-N 1 0 355.526 3.690 20 30 FHEDRO Cn1nc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c2ccccc21 ZINC000612692091 940224157 /nfs/dbraw/zinc/22/41/57/940224157.db2.gz PXWOFNDZSCXDTM-UHFFFAOYSA-N 1 0 370.460 3.640 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000548957514 940252503 /nfs/dbraw/zinc/25/25/03/940252503.db2.gz OUJDYPLPBYDYJK-SFHVURJKSA-N 1 0 356.857 3.945 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000440185806 945306428 /nfs/dbraw/zinc/30/64/28/945306428.db2.gz ROXZTQFZLROAKA-OAQYLSRUSA-N 1 0 368.525 3.766 20 30 FHEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000255871447 940277356 /nfs/dbraw/zinc/27/73/56/940277356.db2.gz HHSGUPCKXJPFHG-JQYPEGPJSA-N 1 0 372.509 3.510 20 30 FHEDRO N#CC[C@H](CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000376092907 940298132 /nfs/dbraw/zinc/29/81/32/940298132.db2.gz GNKSCDUZGPLHGT-OAQYLSRUSA-N 1 0 361.489 3.855 20 30 FHEDRO Cc1oc(C(C)C)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000376124494 940338015 /nfs/dbraw/zinc/33/80/15/940338015.db2.gz DACBKWRNERXOGO-UHFFFAOYSA-N 1 0 365.477 4.000 20 30 FHEDRO CC(C)(CNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000431773425 940492001 /nfs/dbraw/zinc/49/20/01/940492001.db2.gz BBAIRCJGPVZRGA-LJQANCHMSA-N 1 0 356.514 3.985 20 30 FHEDRO C=CCOc1ccc(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)cc1OC ZINC000066447934 940494300 /nfs/dbraw/zinc/49/43/00/940494300.db2.gz YEMLZYDKUKXKPK-UHFFFAOYSA-N 1 0 368.477 3.642 20 30 FHEDRO CC(C)Oc1ccccc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000581218841 940496941 /nfs/dbraw/zinc/49/69/41/940496941.db2.gz XEXPYQJZORKZOI-UHFFFAOYSA-N 1 0 351.494 3.909 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431789518 940504565 /nfs/dbraw/zinc/50/45/65/940504565.db2.gz SCFOBKGCGLERLQ-OAQYLSRUSA-N 1 0 352.478 3.903 20 30 FHEDRO Cn1ncc2c1CCC[N@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C2 ZINC000581475969 940504567 /nfs/dbraw/zinc/50/45/67/940504567.db2.gz LKPDXRYXPBOPEV-UHFFFAOYSA-N 1 0 372.472 3.819 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c(C(F)(F)F)c1 ZINC000581865034 940628262 /nfs/dbraw/zinc/62/82/62/940628262.db2.gz NETQCGXXAFXOID-CRAIPNDOSA-N 1 0 361.367 3.982 20 30 FHEDRO C[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000431812685 940636858 /nfs/dbraw/zinc/63/68/58/940636858.db2.gz UPOUZZBCOUHBBH-HBFSDRIKSA-N 1 0 356.514 3.984 20 30 FHEDRO N#CCCC[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000431818205 940647630 /nfs/dbraw/zinc/64/76/30/940647630.db2.gz OBLNPNIFMDFAFO-HXUWFJFHSA-N 1 0 354.498 3.595 20 30 FHEDRO N#CCCC[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000431818204 940647814 /nfs/dbraw/zinc/64/78/14/940647814.db2.gz OBLNPNIFMDFAFO-FQEVSTJZSA-N 1 0 354.498 3.595 20 30 FHEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000511861209 945338970 /nfs/dbraw/zinc/33/89/70/945338970.db2.gz SCKNLFUGTYUNRN-BBWFWOEESA-N 1 0 352.400 3.718 20 30 FHEDRO COc1cccc([C@@H](CNc2nc(C(C)(C)C)ccc2C#N)[NH+](C)C)c1 ZINC000613409319 940683767 /nfs/dbraw/zinc/68/37/67/940683767.db2.gz VBQPJIYYGSSQJT-GOSISDBHSA-N 1 0 352.482 3.974 20 30 FHEDRO CCOCCC[N@@H+]1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@H](C)C1 ZINC000613426983 940693591 /nfs/dbraw/zinc/69/35/91/940693591.db2.gz WAXYMYXPWZZHAN-AEFFLSMTSA-N 1 0 358.530 3.800 20 30 FHEDRO CC(=O)N[C@H](CC(=O)N1CC[NH+](C2CCCCC2)CC1)c1cccs1 ZINC000330092511 945353289 /nfs/dbraw/zinc/35/32/89/945353289.db2.gz YVEVIYBFZZNGMN-QGZVFWFLSA-N 1 0 363.527 3.633 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000549038321 940796077 /nfs/dbraw/zinc/79/60/77/940796077.db2.gz UYGUQKXKSWAKQD-YOEHRIQHSA-N 1 0 352.413 3.654 20 30 FHEDRO C=CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000376340808 940803718 /nfs/dbraw/zinc/80/37/18/940803718.db2.gz MCRYGASFLBYHJO-IFMALSPDSA-N 1 0 363.505 3.770 20 30 FHEDRO CC(C)C(=O)N1CCC(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000330086503 945349878 /nfs/dbraw/zinc/34/98/78/945349878.db2.gz MFVYLBRASRTWKS-UHFFFAOYSA-N 1 0 363.546 3.516 20 30 FHEDRO CC(C)C[C@H](NC(=O)CN1C[C@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000330089908 945350940 /nfs/dbraw/zinc/35/09/40/945350940.db2.gz WGIRRMMJSGOTBM-HFSMHLIXSA-N 1 0 360.498 3.610 20 30 FHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188662191 940831308 /nfs/dbraw/zinc/83/13/08/940831308.db2.gz MLPUMRVSJWPCJL-UHFFFAOYSA-N 1 0 363.486 3.630 20 30 FHEDRO Cn1cc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180227807 940844265 /nfs/dbraw/zinc/84/42/65/940844265.db2.gz JCOLHAUTBSVKEN-WIYYLYMNSA-N 1 0 366.509 3.890 20 30 FHEDRO Cc1cc(F)c(C#N)c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1 ZINC000892585730 940848815 /nfs/dbraw/zinc/84/88/15/940848815.db2.gz AEBFNDJJDJLLEK-LBPRGKRZSA-N 1 0 357.458 3.550 20 30 FHEDRO C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cn2)C[C@@H](C)O1 ZINC000330099719 945355957 /nfs/dbraw/zinc/35/59/57/945355957.db2.gz ZYYJNVAMPUEINT-GPMSIDNRSA-N 1 0 372.513 3.690 20 30 FHEDRO Cc1nccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)n1 ZINC000330102769 945358261 /nfs/dbraw/zinc/35/82/61/945358261.db2.gz GHEQAPPHTZCYFK-HNNXBMFYSA-N 1 0 359.499 3.646 20 30 FHEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C12CCC2 ZINC000180279999 940906284 /nfs/dbraw/zinc/90/62/84/940906284.db2.gz DEMILDLZVURIKO-PMACEKPBSA-N 1 0 364.493 3.738 20 30 FHEDRO C=C[C@@H](CC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000658950434 940906639 /nfs/dbraw/zinc/90/66/39/940906639.db2.gz VJYBBJUFIYPJTN-ZLGUVYLKSA-N 1 0 352.453 3.829 20 30 FHEDRO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1cccnc1 ZINC000180283418 940919058 /nfs/dbraw/zinc/91/90/58/940919058.db2.gz NKXHIEFXLOHGTK-OAQYLSRUSA-N 1 0 359.477 3.883 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)CC1 ZINC000187800571 940943930 /nfs/dbraw/zinc/94/39/30/940943930.db2.gz KMZUNASHNHJPAF-CQSZACIVSA-N 1 0 370.415 3.629 20 30 FHEDRO N#Cc1ccc(C2(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)CC2)cc1 ZINC000188677211 940959737 /nfs/dbraw/zinc/95/97/37/940959737.db2.gz CIFLMTPSXXPBQF-UHFFFAOYSA-N 1 0 365.521 3.704 20 30 FHEDRO COC(C)(C)CC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926798848 941136678 /nfs/dbraw/zinc/13/66/78/941136678.db2.gz OLGQNOYMMFQKIW-INIZCTEOSA-N 1 0 367.534 3.711 20 30 FHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000189212201 941153223 /nfs/dbraw/zinc/15/32/23/941153223.db2.gz USNMZXWISBJOHD-HXUWFJFHSA-N 1 0 365.521 3.560 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000177908061 941153913 /nfs/dbraw/zinc/15/39/13/941153913.db2.gz LOGDINZHVWFKTK-CQSZACIVSA-N 1 0 372.469 3.793 20 30 FHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)CCN2C2CC2)c1 ZINC000549115536 941379505 /nfs/dbraw/zinc/37/95/05/941379505.db2.gz JEDJDRBNNFLUNN-VXKWHMMOSA-N 1 0 365.452 3.774 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCC[C@@H](CO)C3)c2)c1 ZINC000414578711 941384920 /nfs/dbraw/zinc/38/49/20/941384920.db2.gz PSVUAQDSIVZGOE-TZIWHRDSSA-N 1 0 350.462 3.778 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1 ZINC000414590660 941388471 /nfs/dbraw/zinc/38/84/71/941388471.db2.gz XUHWXRDUPFTUDC-WIYYLYMNSA-N 1 0 350.462 3.778 20 30 FHEDRO COc1ccc(CN[C@H](C)c2nc(-c3ccc(C#N)cc3)cs2)cn1 ZINC000376841778 941448220 /nfs/dbraw/zinc/44/82/20/941448220.db2.gz JPRYMRJNUZSCKH-CYBMUJFWSA-N 1 0 350.447 3.936 20 30 FHEDRO CC(C)(C#N)CC[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000376858640 941450912 /nfs/dbraw/zinc/45/09/12/941450912.db2.gz QBXFBZMLGCTEPJ-MRXNPFEDSA-N 1 0 367.415 3.898 20 30 FHEDRO N#Cc1c(F)cccc1C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000376926483 941467700 /nfs/dbraw/zinc/46/77/00/941467700.db2.gz UFKUAZZQNFHLML-UHFFFAOYSA-N 1 0 358.376 3.865 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000376993359 941489000 /nfs/dbraw/zinc/48/90/00/941489000.db2.gz LMCDNSRWGDCISF-UXHICEINSA-N 1 0 368.525 3.765 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCC[NH2+]3)cc2Cl)cc1 ZINC000414972824 941530363 /nfs/dbraw/zinc/53/03/63/941530363.db2.gz YPUSBKSPFXYGJB-OAHLLOKOSA-N 1 0 370.840 3.877 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H](C[NH3+])C1CC1 ZINC000415003972 941541087 /nfs/dbraw/zinc/54/10/87/941541087.db2.gz GZLFKLHUKIYASD-GOSISDBHSA-N 1 0 350.422 3.552 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415015952 941542867 /nfs/dbraw/zinc/54/28/67/941542867.db2.gz BPHSSCSLWIUQBQ-MRXNPFEDSA-N 1 0 350.422 3.614 20 30 FHEDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000415037999 941558548 /nfs/dbraw/zinc/55/85/48/941558548.db2.gz LRYCNATXKVLSPD-HNNXBMFYSA-N 1 0 364.449 3.942 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2)cc1 ZINC000415040931 941560668 /nfs/dbraw/zinc/56/06/68/941560668.db2.gz OTLNSLJWWIQILD-WBVHZDCISA-N 1 0 350.422 3.599 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[NH2+]1 ZINC000415043009 941562535 /nfs/dbraw/zinc/56/25/35/941562535.db2.gz RBCPBEMFBYFARN-PBHICJAKSA-N 1 0 350.422 3.613 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000415063423 941581008 /nfs/dbraw/zinc/58/10/08/941581008.db2.gz OYNFQRFXPGYAHK-QRWLVFNGSA-N 1 0 364.449 3.779 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000415062767 941581015 /nfs/dbraw/zinc/58/10/15/941581015.db2.gz MZDDCOAVRQULFI-WBVHZDCISA-N 1 0 364.449 3.921 20 30 FHEDRO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C#N)cc3)C2=O)c1 ZINC000549175082 941582883 /nfs/dbraw/zinc/58/28/83/941582883.db2.gz YMBBHZHSWNKYCN-KXBFYZLASA-N 1 0 351.425 3.852 20 30 FHEDRO C=CCn1c(C)cc(C(=O)C[N@@H+](CC)C2CCC(C(=O)OCC)CC2)c1C ZINC000549178383 941597611 /nfs/dbraw/zinc/59/76/11/941597611.db2.gz KDWNIQXFQYNLED-UHFFFAOYSA-N 1 0 374.525 3.917 20 30 FHEDRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541122962 941630751 /nfs/dbraw/zinc/63/07/51/941630751.db2.gz SZRVQKPOYDTULH-IAGOWNOFSA-N 1 0 364.493 3.926 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415144166 941631223 /nfs/dbraw/zinc/63/12/23/941631223.db2.gz BXKJUHPCZBWEKO-RDJZCZTQSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415148417 941633965 /nfs/dbraw/zinc/63/39/65/941633965.db2.gz LBGSNHSPTLCZDD-GOEBONIOSA-N 1 0 350.422 3.552 20 30 FHEDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415151785 941635061 /nfs/dbraw/zinc/63/50/61/941635061.db2.gz TTYAVEUFYFEQRX-KRWDZBQOSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H]1C[NH3+] ZINC000415152968 941635984 /nfs/dbraw/zinc/63/59/84/941635984.db2.gz VUCVGTSPROTWJX-FOIQADDNSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415153920 941636867 /nfs/dbraw/zinc/63/68/67/941636867.db2.gz DFQWXEANTUCFDX-ZBFHGGJFSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415156411 941637999 /nfs/dbraw/zinc/63/79/99/941637999.db2.gz GIPOIHLVMVJNAX-ZBFHGGJFSA-N 1 0 350.422 3.552 20 30 FHEDRO CC[NH2+]CC1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000415158911 941642284 /nfs/dbraw/zinc/64/22/84/941642284.db2.gz JCILXCMZRPQOPQ-HNNXBMFYSA-N 1 0 360.527 3.934 20 30 FHEDRO C[C@H](CCNC(=O)Nc1ccc(F)c(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000472727318 941642658 /nfs/dbraw/zinc/64/26/58/941642658.db2.gz NUIXXPMDADTOAP-OAHLLOKOSA-N 1 0 354.429 3.729 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415160428 941642785 /nfs/dbraw/zinc/64/27/85/941642785.db2.gz LIHXVAQEOXZSQT-PBHICJAKSA-N 1 0 360.527 3.981 20 30 FHEDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000415168949 941646308 /nfs/dbraw/zinc/64/63/08/941646308.db2.gz VGZMOITZJJDORY-OAHLLOKOSA-N 1 0 364.449 3.942 20 30 FHEDRO C[NH2+]CCC1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000415168968 941646312 /nfs/dbraw/zinc/64/63/12/941646312.db2.gz VIBZDWVBNDAQOW-OAHLLOKOSA-N 1 0 360.527 3.934 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C)C[NH2+]1 ZINC000415167051 941648319 /nfs/dbraw/zinc/64/83/19/941648319.db2.gz SBQCQGCKTXSIFF-CABCVRRESA-N 1 0 350.422 3.565 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C)C[NH2+]1 ZINC000415167052 941648396 /nfs/dbraw/zinc/64/83/96/941648396.db2.gz SBQCQGCKTXSIFF-GJZGRUSLSA-N 1 0 350.422 3.565 20 30 FHEDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1 ZINC000415240760 941695883 /nfs/dbraw/zinc/69/58/83/941695883.db2.gz QVDVLPMAJMLGSO-FQEVSTJZSA-N 1 0 368.412 3.739 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1C#N ZINC000415309218 941748642 /nfs/dbraw/zinc/74/86/42/941748642.db2.gz RFZOWHILUWGNIQ-AWEZNQCLSA-N 1 0 352.438 3.687 20 30 FHEDRO COc1cc2[nH]c(CCC[NH2+]Cc3cc(C#N)cs3)cc2c(OC)c1 ZINC000151141724 941761745 /nfs/dbraw/zinc/76/17/45/941761745.db2.gz HZTOCDFFJUKUAS-UHFFFAOYSA-N 1 0 355.463 3.841 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000565081671 941794112 /nfs/dbraw/zinc/79/41/12/941794112.db2.gz RTYLLOQJHJGXTK-OAHLLOKOSA-N 1 0 367.428 3.559 20 30 FHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549275844 941817785 /nfs/dbraw/zinc/81/77/85/941817785.db2.gz KGTYJXNDZQDWPR-UHFFFAOYSA-N 1 0 365.525 3.833 20 30 FHEDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)cc1 ZINC000415461630 941838914 /nfs/dbraw/zinc/83/89/14/941838914.db2.gz DKZWPBOLMYBLIP-NSHDSACASA-N 1 0 370.478 3.514 20 30 FHEDRO COc1ccccc1O[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000513380472 941877360 /nfs/dbraw/zinc/87/73/60/941877360.db2.gz IFOHTONDGRGAPQ-FQEVSTJZSA-N 1 0 366.461 3.879 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000365655956 941903683 /nfs/dbraw/zinc/90/36/83/941903683.db2.gz FVNSBVJLKWWZNS-QKNQBKEWSA-N 1 0 360.461 3.633 20 30 FHEDRO CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](CCCSCC#N)CC2)C1 ZINC000377715840 941928133 /nfs/dbraw/zinc/92/81/33/941928133.db2.gz ALWYHIKMUGPMLV-KRWDZBQOSA-N 1 0 367.559 3.602 20 30 FHEDRO CN(Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000513456087 941933791 /nfs/dbraw/zinc/93/37/91/941933791.db2.gz OUBMSSLDHHNFFM-QFIPXVFZSA-N 1 0 361.489 3.806 20 30 FHEDRO C[C@H](C#N)Oc1ccc(CNCc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000728711412 941964648 /nfs/dbraw/zinc/96/46/48/941964648.db2.gz CILDQLXZPXRDQX-QGZVFWFLSA-N 1 0 372.472 3.942 20 30 FHEDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000415736952 942030221 /nfs/dbraw/zinc/03/02/21/942030221.db2.gz PAGVSPCPLCOADM-FQEVSTJZSA-N 1 0 367.453 3.631 20 30 FHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000472888424 942040551 /nfs/dbraw/zinc/04/05/51/942040551.db2.gz ULCCOBQEWPAZSM-RTWAWAEBSA-N 1 0 359.473 3.835 20 30 FHEDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415807793 942058142 /nfs/dbraw/zinc/05/81/42/942058142.db2.gz QMDBUCHFTINCEZ-HNNXBMFYSA-N 1 0 366.490 3.783 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414310862 942065009 /nfs/dbraw/zinc/06/50/09/942065009.db2.gz XGJQNUDWAVYOHI-FXAWDEMLSA-N 1 0 372.534 3.775 20 30 FHEDRO C[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccc(C#N)c(F)c1 ZINC000280073955 942102740 /nfs/dbraw/zinc/10/27/40/942102740.db2.gz LEKAODNDAQKGSW-LBPRGKRZSA-N 1 0 365.250 3.787 20 30 FHEDRO C[N@@H+]1CC[C@@H](CNc2ccc(Br)cc2C#N)[C@@H]1c1cccnc1 ZINC000377993027 942135719 /nfs/dbraw/zinc/13/57/19/942135719.db2.gz RPGJLWCRUQZNLX-KSSFIOAISA-N 1 0 371.282 3.821 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)c1ccc(F)c(F)c1 ZINC000502047102 942199005 /nfs/dbraw/zinc/19/90/05/942199005.db2.gz ZHXIKUDJEQXXBM-CCKFTAQKSA-N 1 0 363.452 3.850 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280737646 942242098 /nfs/dbraw/zinc/24/20/98/942242098.db2.gz WMKOHQQNAIZCNZ-CRAIPNDOSA-N 1 0 351.450 3.585 20 30 FHEDRO C[N@H+](Cc1ccccc1CNC(=O)NCC1(C#N)CCC1)C1CCCCC1 ZINC000419428768 942255437 /nfs/dbraw/zinc/25/54/37/942255437.db2.gz RMXOYLPSVCEJIN-UHFFFAOYSA-N 1 0 368.525 3.944 20 30 FHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC(C)(C)CCC#N ZINC000502175128 942264502 /nfs/dbraw/zinc/26/45/02/942264502.db2.gz QOOWCFMFBRCSHE-LJQANCHMSA-N 1 0 358.530 3.772 20 30 FHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000501035477 942278461 /nfs/dbraw/zinc/27/84/61/942278461.db2.gz AJYWRJSRJZWGHQ-ROUUACIJSA-N 1 0 360.299 3.740 20 30 FHEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000421015881 942306856 /nfs/dbraw/zinc/30/68/56/942306856.db2.gz IMAJYHKZHMYOOB-FQEVSTJZSA-N 1 0 368.502 3.600 20 30 FHEDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000421055452 942309630 /nfs/dbraw/zinc/30/96/30/942309630.db2.gz DVANHJPOMUZVKD-UHFFFAOYSA-N 1 0 354.376 3.571 20 30 FHEDRO N#Cc1ccc(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)[nH]1 ZINC000501129018 942314005 /nfs/dbraw/zinc/31/40/05/942314005.db2.gz UIMTWBUGYUYYDS-UHFFFAOYSA-N 1 0 372.472 3.709 20 30 FHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000501120542 942319442 /nfs/dbraw/zinc/31/94/42/942319442.db2.gz MANBHGUNACIZLK-NRFANRHFSA-N 1 0 368.521 3.866 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(CC#N)cc1)Cc1ccccc1 ZINC000501254162 942365256 /nfs/dbraw/zinc/36/52/56/942365256.db2.gz QLCXOFDJJWDERH-OAQYLSRUSA-N 1 0 364.493 3.827 20 30 FHEDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000501254637 942365627 /nfs/dbraw/zinc/36/56/27/942365627.db2.gz SDFZXKCJLYXDNY-KRWDZBQOSA-N 1 0 365.477 3.597 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501346763 942424052 /nfs/dbraw/zinc/42/40/52/942424052.db2.gz HXWJMZLGSUJITG-OAQYLSRUSA-N 1 0 370.541 3.990 20 30 FHEDRO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000047778070 942444385 /nfs/dbraw/zinc/44/43/85/942444385.db2.gz JBWLOPZKWIGTKV-LPHOPBHVSA-N 1 0 366.465 3.739 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000505302150 942457373 /nfs/dbraw/zinc/45/73/73/942457373.db2.gz REGFVJPIIZOXBB-QGZVFWFLSA-N 1 0 353.853 3.606 20 30 FHEDRO C=CCN(Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000502469169 942467517 /nfs/dbraw/zinc/46/75/17/942467517.db2.gz ROHHFKKJEJTVEE-YLJYHZDGSA-N 1 0 350.462 3.703 20 30 FHEDRO COc1cccc([C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)N2CCCC2)c1 ZINC000421335754 942507678 /nfs/dbraw/zinc/50/76/78/942507678.db2.gz UHPKAIKODYOLGW-NRFANRHFSA-N 1 0 353.441 3.633 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001125870466 942509812 /nfs/dbraw/zinc/50/98/12/942509812.db2.gz HQIDISURJKVTIQ-WOJBJXKFSA-N 1 0 353.510 3.665 20 30 FHEDRO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(-c2cnn(C)c2)c1 ZINC000549410628 942523846 /nfs/dbraw/zinc/52/38/46/942523846.db2.gz FFQJFXVNYUHIHW-UHFFFAOYSA-N 1 0 371.488 3.848 20 30 FHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CC(OC(C)(C)C)C1 ZINC000421378383 942527884 /nfs/dbraw/zinc/52/78/84/942527884.db2.gz VBEZQYPIACVRQN-UHFFFAOYSA-N 1 0 367.497 3.637 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000502563428 942544785 /nfs/dbraw/zinc/54/47/85/942544785.db2.gz OCOXIQRKNPZXTQ-COLVAYQJSA-N 1 0 371.815 3.679 20 30 FHEDRO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000502568514 942547692 /nfs/dbraw/zinc/54/76/92/942547692.db2.gz INLZEYKVYGOUBW-SFHVURJKSA-N 1 0 369.440 3.573 20 30 FHEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000183568626 942591703 /nfs/dbraw/zinc/59/17/03/942591703.db2.gz MNZYBKPKVYWQMC-HNNXBMFYSA-N 1 0 368.458 3.737 20 30 FHEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1OCCCC#N ZINC000237220132 942593915 /nfs/dbraw/zinc/59/39/15/942593915.db2.gz YQNCCNBHCMLIFW-UHFFFAOYSA-N 1 0 353.397 3.678 20 30 FHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000502639110 942605487 /nfs/dbraw/zinc/60/54/87/942605487.db2.gz XWWAGQNIQZSGRZ-KRWDZBQOSA-N 1 0 358.486 3.731 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000378350007 942630763 /nfs/dbraw/zinc/63/07/63/942630763.db2.gz QEYODSOTWVQDEG-QGZVFWFLSA-N 1 0 361.445 3.893 20 30 FHEDRO Cc1nn(C(C)C)c(C)c1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000893219404 942690551 /nfs/dbraw/zinc/69/05/51/942690551.db2.gz GMLLICSSBFTFQN-UHFFFAOYSA-N 1 0 367.497 3.827 20 30 FHEDRO CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000749811333 942724231 /nfs/dbraw/zinc/72/42/31/942724231.db2.gz ORNNWQRMCKALBD-XMMPIXPASA-N 1 0 362.882 3.612 20 30 FHEDRO C[NH+](C)C1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000421686124 942742903 /nfs/dbraw/zinc/74/29/03/942742903.db2.gz ZBEXNDVHEATCNJ-UHFFFAOYSA-N 1 0 363.461 3.953 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CC[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000502784076 942757167 /nfs/dbraw/zinc/75/71/67/942757167.db2.gz LIBNVLCRCJVFLH-QGZVFWFLSA-N 1 0 353.384 3.876 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)c2ccccc2n1 ZINC000378454408 942782289 /nfs/dbraw/zinc/78/22/89/942782289.db2.gz PLPMUPNJICWDDU-QEEHTWDDSA-N 1 0 351.450 3.573 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1 ZINC000414549929 942796639 /nfs/dbraw/zinc/79/66/39/942796639.db2.gz IGMQLSNEPDDSEL-UHFFFAOYSA-N 1 0 354.494 3.646 20 30 FHEDRO C=CCC[C@H](CC)[NH2+]C1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000363834802 942800565 /nfs/dbraw/zinc/80/05/65/942800565.db2.gz VSLCNSMETABAEN-INIZCTEOSA-N 1 0 360.498 3.643 20 30 FHEDRO C[C@@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000502857053 942801598 /nfs/dbraw/zinc/80/15/98/942801598.db2.gz CGUPEWMUMOOQQE-FGTMMUONSA-N 1 0 356.514 3.677 20 30 FHEDRO Cc1ccc(C)c(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000378479017 942813396 /nfs/dbraw/zinc/81/33/96/942813396.db2.gz BKLKDSYRMTVDLR-UHFFFAOYSA-N 1 0 361.489 3.521 20 30 FHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1Cl ZINC000414552942 942828916 /nfs/dbraw/zinc/82/89/16/942828916.db2.gz QXVSKCPTADLTIR-QGZVFWFLSA-N 1 0 362.901 3.882 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000190190676 942849809 /nfs/dbraw/zinc/84/98/09/942849809.db2.gz SRTGGAQDFAJYGB-HNNXBMFYSA-N 1 0 353.388 3.797 20 30 FHEDRO CC1(C)CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000434681094 942850468 /nfs/dbraw/zinc/85/04/68/942850468.db2.gz ZFBPCTQUVBRTFG-UHFFFAOYSA-N 1 0 365.930 3.804 20 30 FHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434671980 942857358 /nfs/dbraw/zinc/85/73/58/942857358.db2.gz KZFNHRHJPQUXJU-KOHRHEQBSA-N 1 0 351.560 3.523 20 30 FHEDRO Cc1ccccc1[C@]1(F)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945128 942862533 /nfs/dbraw/zinc/86/25/33/942862533.db2.gz VPVZBYROWIDHSR-UNMCSNQZSA-N 1 0 363.436 3.543 20 30 FHEDRO Cc1nc2c(s1)[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CCC2 ZINC000378545415 942878448 /nfs/dbraw/zinc/87/84/48/942878448.db2.gz NSZFEGKFGXGHEP-HXUWFJFHSA-N 1 0 366.534 3.955 20 30 FHEDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000430120143 942917402 /nfs/dbraw/zinc/91/74/02/942917402.db2.gz LPHVFRTWIPQHRU-HSZRJFAPSA-N 1 0 361.489 3.665 20 30 FHEDRO CCCOc1ccccc1Oc1ncccc1CNC(=[NH2+])N(C)C1CC1 ZINC000273333208 942933464 /nfs/dbraw/zinc/93/34/64/942933464.db2.gz KHGFCFBJMZDXSS-UHFFFAOYSA-N 1 0 354.454 3.572 20 30 FHEDRO CC(C)CC(=O)N1CCC(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000367119476 943015895 /nfs/dbraw/zinc/01/58/95/943015895.db2.gz BAUONUAZUMLILO-UHFFFAOYSA-N 1 0 365.521 3.932 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccsc1 ZINC000416680487 943036515 /nfs/dbraw/zinc/03/65/15/943036515.db2.gz IFQCCEGJBMREHI-MOPGFXCFSA-N 1 0 368.506 3.599 20 30 FHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000416692596 943036817 /nfs/dbraw/zinc/03/68/17/943036817.db2.gz TZXWMBXDZBXGSM-UTKZUKDTSA-N 1 0 368.525 3.747 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000503200843 943050090 /nfs/dbraw/zinc/05/00/90/943050090.db2.gz VZYHONDSOBXZQT-OALUTQOASA-N 1 0 367.497 3.598 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000503210670 943052395 /nfs/dbraw/zinc/05/23/95/943052395.db2.gz YVLGNNSIIQQMJV-HUUCEWRRSA-N 1 0 359.433 3.626 20 30 FHEDRO O=c1ccccn1C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000503210556 943052525 /nfs/dbraw/zinc/05/25/25/943052525.db2.gz XUVDWFWPNVZIDX-NRFANRHFSA-N 1 0 362.860 3.884 20 30 FHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1c(C#N)cccc1[N+](=O)[O-] ZINC000425252010 943055814 /nfs/dbraw/zinc/05/58/14/943055814.db2.gz YXZDWNZEJHDTSR-UHFFFAOYSA-N 1 0 365.437 3.604 20 30 FHEDRO C[C@H](CCO)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCC1 ZINC000271848541 943060504 /nfs/dbraw/zinc/06/05/04/943060504.db2.gz SMNHTXOQUGSVQZ-GOSISDBHSA-N 1 0 366.509 3.742 20 30 FHEDRO C[C@H]1C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](C)S1 ZINC000072771340 943088478 /nfs/dbraw/zinc/08/84/78/943088478.db2.gz DEGAIOOWIZHPRF-STQMWFEESA-N 1 0 363.552 3.653 20 30 FHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000503262781 943091776 /nfs/dbraw/zinc/09/17/76/943091776.db2.gz YEGCMUUCKUKXRS-NRFANRHFSA-N 1 0 361.489 3.940 20 30 FHEDRO CCc1ccc([C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C(C)C)cc1 ZINC000513785182 943101466 /nfs/dbraw/zinc/10/14/66/943101466.db2.gz HPNTYRMATVAFKE-OAQYLSRUSA-N 1 0 370.518 3.881 20 30 FHEDRO CC[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000435038517 943105970 /nfs/dbraw/zinc/10/59/70/943105970.db2.gz SNRIAMKCSMASPQ-QFIPXVFZSA-N 1 0 373.500 3.543 20 30 FHEDRO CC[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000435038516 943106237 /nfs/dbraw/zinc/10/62/37/943106237.db2.gz SNRIAMKCSMASPQ-JOCHJYFZSA-N 1 0 373.500 3.543 20 30 FHEDRO N#Cc1ccsc1N1CC[C@H](N2CC[C@H](c3ccc(Cl)cc3)C2)C1=O ZINC000435048936 943120266 /nfs/dbraw/zinc/12/02/66/943120266.db2.gz KXOMXFFDXIRKJE-RDJZCZTQSA-N 1 0 371.893 3.868 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000435052904 943125688 /nfs/dbraw/zinc/12/56/88/943125688.db2.gz YJQOWJYJHLFUFO-UHFFFAOYSA-N 1 0 359.473 3.502 20 30 FHEDRO N#Cc1ncc(C(F)(F)F)cc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425270552 943131926 /nfs/dbraw/zinc/13/19/26/943131926.db2.gz AHUVTDJDTBREFH-HNAYVOBHSA-N 1 0 372.394 3.683 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])cnc1S[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425274994 943161663 /nfs/dbraw/zinc/16/16/63/943161663.db2.gz BFLCNZWQDHAPAL-QGZVFWFLSA-N 1 0 354.435 3.618 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000272525317 943171185 /nfs/dbraw/zinc/17/11/85/943171185.db2.gz LWVHQJKPDIEDPM-UHFFFAOYSA-N 1 0 358.486 3.565 20 30 FHEDRO CC1(C#N)CC[NH+](Cc2ccccc2C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000272527076 943171582 /nfs/dbraw/zinc/17/15/82/943171582.db2.gz HYNGAMFGTJKOCW-UHFFFAOYSA-N 1 0 350.510 3.938 20 30 FHEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OCC(F)(F)F ZINC000329835996 943176464 /nfs/dbraw/zinc/17/64/64/943176464.db2.gz LOZDQZIBNORFHL-CABCVRRESA-N 1 0 371.403 3.889 20 30 FHEDRO CCCCOC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435127538 943180419 /nfs/dbraw/zinc/18/04/19/943180419.db2.gz CPINFQDWHUDEEY-UHFFFAOYSA-N 1 0 367.497 3.640 20 30 FHEDRO CCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CCCCO1 ZINC000435138071 943190591 /nfs/dbraw/zinc/19/05/91/943190591.db2.gz PUIZRRZRHJFSHD-HXUWFJFHSA-N 1 0 367.497 3.640 20 30 FHEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(c(Br)c1)OCO2 ZINC000513789215 943190693 /nfs/dbraw/zinc/19/06/93/943190693.db2.gz DQFFNEVVUWVWGX-UHFFFAOYSA-N 1 0 359.223 3.681 20 30 FHEDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000503467963 943202960 /nfs/dbraw/zinc/20/29/60/943202960.db2.gz VMVJFOBYWLAXPU-MJGOQNOKSA-N 1 0 359.539 3.814 20 30 FHEDRO C[N@@H+]1CC[C@]2(CCN(Cc3cccc(OCc4cccc(C#N)c4)c3)C2)C1 ZINC000430127108 943221951 /nfs/dbraw/zinc/22/19/51/943221951.db2.gz OPQWZRSUXKDROU-QHCPKHFHSA-N 1 0 361.489 3.665 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2C#N)[NH+]2CCCC2)cc1 ZINC000435164052 943224630 /nfs/dbraw/zinc/22/46/30/943224630.db2.gz GSEYLQDJFHLDAZ-FQEVSTJZSA-N 1 0 366.440 3.964 20 30 FHEDRO CCOc1cc(C[NH2+]CCCC#N)cc(Br)c1OC(F)F ZINC000273070025 943268806 /nfs/dbraw/zinc/26/88/06/943268806.db2.gz ODUFUIOYBMVEPF-UHFFFAOYSA-N 1 0 363.202 3.843 20 30 FHEDRO C#CCCCCCC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000780388465 943320581 /nfs/dbraw/zinc/32/05/81/943320581.db2.gz RAAUDSICJYNOCG-HXUWFJFHSA-N 1 0 356.510 3.922 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccnc(SCC)c2)c1 ZINC000186882682 943385988 /nfs/dbraw/zinc/38/59/88/943385988.db2.gz KXKYZFHQDHIFBB-UHFFFAOYSA-N 1 0 374.510 3.918 20 30 FHEDRO CC[N@H+](C)[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000503899157 943398530 /nfs/dbraw/zinc/39/85/30/943398530.db2.gz WWDSHWANTTXCFM-JOCHJYFZSA-N 1 0 359.473 3.867 20 30 FHEDRO C[C@@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000503924379 943410869 /nfs/dbraw/zinc/41/08/69/943410869.db2.gz IFOCCIBMEMKQKK-IERDGZPVSA-N 1 0 361.420 3.951 20 30 FHEDRO C[C@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000503924375 943411045 /nfs/dbraw/zinc/41/10/45/943411045.db2.gz IFOCCIBMEMKQKK-HRAATJIYSA-N 1 0 361.420 3.951 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000503912143 943417289 /nfs/dbraw/zinc/41/72/89/943417289.db2.gz RQNAQEOELPJZRX-RQWLHQTBSA-N 1 0 353.510 3.914 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC(C)(C#N)CC2)c2ccccc2)CC1 ZINC000503987835 943443440 /nfs/dbraw/zinc/44/34/40/943443440.db2.gz PZIAXTKPKXUREU-HXUWFJFHSA-N 1 0 368.525 3.795 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431930549 943449240 /nfs/dbraw/zinc/44/92/40/943449240.db2.gz HMQRPICISWCFHU-UXHICEINSA-N 1 0 356.514 3.985 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000435502342 943458478 /nfs/dbraw/zinc/45/84/78/943458478.db2.gz QTYUSUFHIPZLQC-OALUTQOASA-N 1 0 365.562 3.652 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000435502344 943458705 /nfs/dbraw/zinc/45/87/05/943458705.db2.gz QTYUSUFHIPZLQC-RTBURBONSA-N 1 0 365.562 3.652 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000435536704 943473113 /nfs/dbraw/zinc/47/31/13/943473113.db2.gz LOLYOBXJKWQDKD-QGZVFWFLSA-N 1 0 372.513 3.979 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000425396071 943524073 /nfs/dbraw/zinc/52/40/73/943524073.db2.gz JKATZZHKDXHDOS-QGZVFWFLSA-N 1 0 356.514 3.915 20 30 FHEDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417371690 943552769 /nfs/dbraw/zinc/55/27/69/943552769.db2.gz URYSEESWLFOYFE-YCRPNKLZSA-N 1 0 373.456 3.600 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000435675446 943554991 /nfs/dbraw/zinc/55/49/91/943554991.db2.gz VWQIQDKGIWRILQ-FKBYEOEOSA-N 1 0 364.489 3.615 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000425400436 943555900 /nfs/dbraw/zinc/55/59/00/943555900.db2.gz XTFVEFCBXVRFTI-KDOFPFPSSA-N 1 0 356.495 3.625 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000435694893 943560950 /nfs/dbraw/zinc/56/09/50/943560950.db2.gz MJNOTNJNWBGXGA-UHFFFAOYSA-N 1 0 351.450 3.766 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000435749765 943583966 /nfs/dbraw/zinc/58/39/66/943583966.db2.gz VNJHFIQRRDHYDG-KSSFIOAISA-N 1 0 364.283 3.796 20 30 FHEDRO C=C(C(=O)N1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1)C(F)(F)F ZINC001270008108 943596646 /nfs/dbraw/zinc/59/66/46/943596646.db2.gz KXJFYGSZUYOKQF-CQSZACIVSA-N 1 0 372.353 3.762 20 30 FHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCSC[C@H](C)C2)c1C#N ZINC000584815842 943669317 /nfs/dbraw/zinc/66/93/17/943669317.db2.gz GBCVDUUJJWNMNN-CQSZACIVSA-N 1 0 374.554 3.715 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000424085555 943721724 /nfs/dbraw/zinc/72/17/24/943721724.db2.gz BGLNIWVIPQWUEP-SFHVURJKSA-N 1 0 357.841 3.879 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000424109506 943734795 /nfs/dbraw/zinc/73/47/95/943734795.db2.gz BDDUDYVTODTIBJ-RBUKOAKNSA-N 1 0 355.869 3.761 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417599476 943751243 /nfs/dbraw/zinc/75/12/43/943751243.db2.gz PCDTVDRIKCWIMP-IBGZPJMESA-N 1 0 353.466 3.531 20 30 FHEDRO C=C(C)Cn1c(C(C)C)nnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424223729 943793435 /nfs/dbraw/zinc/79/34/35/943793435.db2.gz QLSFALJAYRCZMY-VQTJNVASSA-N 1 0 365.525 3.688 20 30 FHEDRO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCC[C@H](C)C1 ZINC000435881701 943815659 /nfs/dbraw/zinc/81/56/59/943815659.db2.gz BNNYSKWFCMFJKN-ZWKOTPCHSA-N 1 0 366.509 3.795 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000437478826 943846907 /nfs/dbraw/zinc/84/69/07/943846907.db2.gz CMVKRAPPSMOZKY-HUUCEWRRSA-N 1 0 361.452 3.695 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1Cl ZINC000437504571 943868118 /nfs/dbraw/zinc/86/81/18/943868118.db2.gz MBPGRSPBRWONCH-IRXDYDNUSA-N 1 0 363.914 3.900 20 30 FHEDRO COc1cc(OC)cc(C2(F)CC[NH+](CCCSCC#N)CC2)c1 ZINC000549479079 943869282 /nfs/dbraw/zinc/86/92/82/943869282.db2.gz XNKARBMEFXYKEJ-UHFFFAOYSA-N 1 0 352.475 3.611 20 30 FHEDRO CC1(C)CC[C@H]2C[C@@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)c3cccc1c32 ZINC000516971269 943872257 /nfs/dbraw/zinc/87/22/57/943872257.db2.gz QWYSRRVHZLSHGH-HNAYVOBHSA-N 1 0 357.461 3.991 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000425442404 943929736 /nfs/dbraw/zinc/92/97/36/943929736.db2.gz JRYBXBCOOYDFEH-UWJYYQICSA-N 1 0 364.493 3.872 20 30 FHEDRO C[NH+](C)[C@H](CNc1nc2cc(Cl)ccn2c1C#N)c1ccc(F)cc1 ZINC000517047412 943950356 /nfs/dbraw/zinc/95/03/56/943950356.db2.gz VHUIORIAQZXDFG-MRXNPFEDSA-N 1 0 357.820 3.713 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000425452646 943975840 /nfs/dbraw/zinc/97/58/40/943975840.db2.gz ZXBHDMNWKFSQDN-JXFKEZNVSA-N 1 0 354.498 3.525 20 30 FHEDRO C=CCC[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417943236 943985145 /nfs/dbraw/zinc/98/51/45/943985145.db2.gz UTUVDLZNPLEZNV-GPANFISMSA-N 1 0 355.404 3.844 20 30 FHEDRO C=CCC1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)CCOCC1 ZINC000424571224 943988601 /nfs/dbraw/zinc/98/86/01/943988601.db2.gz WTRVPLHXQHURIU-HXUWFJFHSA-N 1 0 374.525 3.567 20 30 FHEDRO Cc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000506088784 943990264 /nfs/dbraw/zinc/99/02/64/943990264.db2.gz ZLDLDKYTUIOLQP-UHFFFAOYSA-N 1 0 356.473 3.733 20 30 FHEDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000566542450 943996763 /nfs/dbraw/zinc/99/67/63/943996763.db2.gz YVGRHPATGOPIKY-TZYHBYERSA-N 1 0 363.505 3.888 20 30 FHEDRO N#Cc1ccc(CN2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)cc1 ZINC000506085463 944001887 /nfs/dbraw/zinc/00/18/87/944001887.db2.gz HPMMEQVSGJGZMS-UHFFFAOYSA-N 1 0 368.484 3.938 20 30 FHEDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417991630 944041195 /nfs/dbraw/zinc/04/11/95/944041195.db2.gz RZFNTRSUXWNFDD-IBGZPJMESA-N 1 0 350.466 3.542 20 30 FHEDRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417991631 944041703 /nfs/dbraw/zinc/04/17/03/944041703.db2.gz RZFNTRSUXWNFDD-LJQANCHMSA-N 1 0 350.466 3.542 20 30 FHEDRO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000424678139 944058039 /nfs/dbraw/zinc/05/80/39/944058039.db2.gz BHQLGZVYAGFTLN-FUHWJXTLSA-N 1 0 362.539 3.620 20 30 FHEDRO Cc1ccccc1C[NH+]1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000506116483 944060358 /nfs/dbraw/zinc/06/03/58/944060358.db2.gz YNTFLGUMDOVPOD-UHFFFAOYSA-N 1 0 363.505 3.995 20 30 FHEDRO C=C(C)[C@@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000418029289 944081692 /nfs/dbraw/zinc/08/16/92/944081692.db2.gz LICZRTXIBZXUSI-HBUWYVDXSA-N 1 0 351.441 3.646 20 30 FHEDRO C=CCC1(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424821861 944140516 /nfs/dbraw/zinc/14/05/16/944140516.db2.gz AZJTYLYUNDVLGH-OAQYLSRUSA-N 1 0 370.537 3.778 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC=C(C)C2)c1C#N ZINC000436266197 944141501 /nfs/dbraw/zinc/14/15/01/944141501.db2.gz NNUXPQFBKYFXAL-UHFFFAOYSA-N 1 0 366.465 3.599 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCN(CC(F)F)C3)c2)c1 ZINC000418134679 944189303 /nfs/dbraw/zinc/18/93/03/944189303.db2.gz NRYNLYANRVKLHZ-IBGZPJMESA-N 1 0 371.431 3.566 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000517316924 944206127 /nfs/dbraw/zinc/20/61/27/944206127.db2.gz SSUZXCBBQBESDX-FQEVSTJZSA-N 1 0 369.472 3.807 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)[C@H](C)C1 ZINC000120592593 944258944 /nfs/dbraw/zinc/25/89/44/944258944.db2.gz ZVABNSTYTDIDPR-CRAIPNDOSA-N 1 0 358.486 3.539 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000418207766 944267210 /nfs/dbraw/zinc/26/72/10/944267210.db2.gz CBVXNYWKDMPUGD-PWRODBHTSA-N 1 0 362.477 3.558 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000425536494 944283624 /nfs/dbraw/zinc/28/36/24/944283624.db2.gz ORZSNPDJNRTWCU-INIZCTEOSA-N 1 0 361.445 3.627 20 30 FHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425556064 944333274 /nfs/dbraw/zinc/33/32/74/944333274.db2.gz RYSUHFCELYUZPD-XLIONFOSSA-N 1 0 356.514 3.771 20 30 FHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1C ZINC000123426665 944360261 /nfs/dbraw/zinc/36/02/61/944360261.db2.gz UOXXSGUQQBKYSQ-UHFFFAOYSA-N 1 0 354.450 3.533 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]CCN2CCc3ccccc3C2)ccc1OC ZINC000517538788 944369672 /nfs/dbraw/zinc/36/96/72/944369672.db2.gz KZDSJDQOEYIZRF-UHFFFAOYSA-N 1 0 366.505 3.798 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000518443961 944381809 /nfs/dbraw/zinc/38/18/09/944381809.db2.gz NIXJGNORJJBUIU-OAHLLOKOSA-N 1 0 371.456 3.735 20 30 FHEDRO C=CCC[C@H](NC(=O)C(=O)Nc1ccccc1C[NH2+]CC)c1ccccc1 ZINC000414989727 944448666 /nfs/dbraw/zinc/44/86/66/944448666.db2.gz NXWPNTFFGDLFRX-IBGZPJMESA-N 1 0 365.477 3.558 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000516038642 944449412 /nfs/dbraw/zinc/44/94/12/944449412.db2.gz WCVBRPXBGURLHX-FCHUYYIVSA-N 1 0 350.462 3.625 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]CCCCOc3ccccc3)C2=O)cc1 ZINC000437788907 944465915 /nfs/dbraw/zinc/46/59/15/944465915.db2.gz VITBGJJYFWFOKQ-NRFANRHFSA-N 1 0 363.461 3.502 20 30 FHEDRO Cc1ccc(C(C)(C)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000518519117 944465992 /nfs/dbraw/zinc/46/59/92/944465992.db2.gz MMLBGIWLBKLPON-UHFFFAOYSA-N 1 0 370.518 3.516 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 ZINC000017517640 944479514 /nfs/dbraw/zinc/47/95/14/944479514.db2.gz BUHVEEMJTXOTQJ-UHFFFAOYSA-N 1 0 368.481 3.602 20 30 FHEDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000438333946 944503219 /nfs/dbraw/zinc/50/32/19/944503219.db2.gz WJSSNZQIXOXEQY-QFIPXVFZSA-N 1 0 366.509 3.885 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000187908905 944504555 /nfs/dbraw/zinc/50/45/55/944504555.db2.gz IIQHFZCDGYPCER-UNMCSNQZSA-N 1 0 374.525 3.567 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000518581846 944506466 /nfs/dbraw/zinc/50/64/66/944506466.db2.gz RNLNRXUCGLSQDQ-PBHICJAKSA-N 1 0 353.491 3.780 20 30 FHEDRO Cc1oc(NC(=O)CN2CC[C@H](c3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000439314502 944520754 /nfs/dbraw/zinc/52/07/54/944520754.db2.gz HHQZAZIHVSSYQN-KSSFIOAISA-N 1 0 351.450 3.975 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)cc1OCCCC#N ZINC000438360268 944532401 /nfs/dbraw/zinc/53/24/01/944532401.db2.gz SBDWRRPHDNYIKU-OAQYLSRUSA-N 1 0 360.498 3.799 20 30 FHEDRO COc1ccccc1C(=O)C(C(=S)NC(C)(C)C)[n+]1ccc(C)cc1 ZINC000193724838 944548193 /nfs/dbraw/zinc/54/81/93/944548193.db2.gz XPKQRBPSCIILNT-UHFFFAOYSA-O 1 0 357.499 3.618 20 30 FHEDRO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)c1cccc(OC)c1 ZINC000516198724 944570839 /nfs/dbraw/zinc/57/08/39/944570839.db2.gz YNMHQUKEGKUTBL-QGZVFWFLSA-N 1 0 357.498 3.763 20 30 FHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCOc1ccccc1Cl ZINC000015103440 944595624 /nfs/dbraw/zinc/59/56/24/944595624.db2.gz CIIWPPIPNDUGRF-CQSZACIVSA-N 1 0 357.841 3.549 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1 ZINC000426383912 944610062 /nfs/dbraw/zinc/61/00/62/944610062.db2.gz DAPPSNLPGJRTRH-UHFFFAOYSA-N 1 0 371.440 3.796 20 30 FHEDRO C=C[C@@H]1CCCCN1C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000426016096 944622397 /nfs/dbraw/zinc/62/23/97/944622397.db2.gz HSSAHQAMGRATBC-JYRKZWEQSA-N 1 0 355.526 3.893 20 30 FHEDRO C=CCn1c(C2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517784439 944625654 /nfs/dbraw/zinc/62/56/54/944625654.db2.gz OMOCHRPZRHDHAX-PXNSSMCTSA-N 1 0 365.525 3.831 20 30 FHEDRO C=CCn1c(C2CC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517784440 944625848 /nfs/dbraw/zinc/62/58/48/944625848.db2.gz OMOCHRPZRHDHAX-XLIONFOSSA-N 1 0 365.525 3.831 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(Cl)c1 ZINC000439449563 944632243 /nfs/dbraw/zinc/63/22/43/944632243.db2.gz IKCHROBGWPFAKM-UHFFFAOYSA-N 1 0 369.852 3.768 20 30 FHEDRO C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000518735274 944687939 /nfs/dbraw/zinc/68/79/39/944687939.db2.gz FUZDVVCQQWPMQT-NQIIRXRSSA-N 1 0 353.510 3.809 20 30 FHEDRO N#Cc1ccc(NCCCC[NH+]2CCN(c3ccccc3)CC2)c(F)c1 ZINC000506875172 944712447 /nfs/dbraw/zinc/71/24/47/944712447.db2.gz KSVAYNBTKVCTMG-UHFFFAOYSA-N 1 0 352.457 3.712 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000426423325 944751024 /nfs/dbraw/zinc/75/10/24/944751024.db2.gz YJNPCLOQJLEGRD-DFQSSKMNSA-N 1 0 358.526 3.993 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(C(=O)Nc2nccs2)CC1 ZINC000364462992 944794730 /nfs/dbraw/zinc/79/47/30/944794730.db2.gz YRKHECOXXVKORV-UHFFFAOYSA-N 1 0 368.506 3.795 20 30 FHEDRO C[C@H]1C[NH+](C(C)(C)CNc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000518815192 944809021 /nfs/dbraw/zinc/80/90/21/944809021.db2.gz AZKYJHJPDDPYRH-STQMWFEESA-N 1 0 355.404 3.877 20 30 FHEDRO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCCC1(C)C)C1CC1 ZINC000426836067 944855108 /nfs/dbraw/zinc/85/51/08/944855108.db2.gz SXQQQFUPDOIINA-DENIHFKCSA-N 1 0 353.510 3.876 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000518852233 944865119 /nfs/dbraw/zinc/86/51/19/944865119.db2.gz GPCGSPFWWPQTAB-ROUUACIJSA-N 1 0 353.514 3.516 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000425666125 944871688 /nfs/dbraw/zinc/87/16/88/944871688.db2.gz VRYBYNXXCMUCKE-MRXNPFEDSA-N 1 0 350.466 3.887 20 30 FHEDRO C=CCc1cc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc(OC)c1OC ZINC000426097641 944881459 /nfs/dbraw/zinc/88/14/59/944881459.db2.gz GKDDWLMZQTZLHW-UHFFFAOYSA-N 1 0 374.525 3.561 20 30 FHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCC(C)CC1 ZINC000438649259 944892469 /nfs/dbraw/zinc/89/24/69/944892469.db2.gz TXMIHACFXJFRPD-ZDUSSCGKSA-N 1 0 368.403 3.819 20 30 FHEDRO CC[NH+](CC)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438660193 944904358 /nfs/dbraw/zinc/90/43/58/944904358.db2.gz KAVORBRBBUWMQW-UHFFFAOYSA-N 1 0 370.428 3.953 20 30 FHEDRO COc1ccc(CCC[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000511668394 944906745 /nfs/dbraw/zinc/90/67/45/944906745.db2.gz VWVSAUDNEWLXND-UHFFFAOYSA-N 1 0 371.868 3.723 20 30 FHEDRO C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)[NH+]1CCCCCC1 ZINC000505923059 944916634 /nfs/dbraw/zinc/91/66/34/944916634.db2.gz PJIQYLJXWIZIMB-BLLLJJGKSA-N 1 0 354.281 3.939 20 30 FHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)cc1 ZINC000518914937 944935193 /nfs/dbraw/zinc/93/51/93/944935193.db2.gz QVSITLFODKSEHR-SFHVURJKSA-N 1 0 361.445 3.511 20 30 FHEDRO CCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1nccn1CC ZINC001270163658 944970578 /nfs/dbraw/zinc/97/05/78/944970578.db2.gz HWXJWYADEBTQLP-OALUTQOASA-N 1 0 360.546 3.829 20 30 FHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc(C#N)cs1 ZINC000473593354 944978185 /nfs/dbraw/zinc/97/81/85/944978185.db2.gz MFGVSIKKQJROPQ-IBGZPJMESA-N 1 0 367.518 3.823 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000426128917 944986541 /nfs/dbraw/zinc/98/65/41/944986541.db2.gz PFNINDYZWQIVHR-INIZCTEOSA-N 1 0 354.841 3.608 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000427020062 945019450 /nfs/dbraw/zinc/01/94/50/945019450.db2.gz AGMTVOIVIVOORD-GASCZTMLSA-N 1 0 350.422 3.557 20 30 FHEDRO CC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc(Br)c1 ZINC000507170386 945020354 /nfs/dbraw/zinc/02/03/54/945020354.db2.gz NBOGJMWGTCUXHD-UHFFFAOYSA-N 1 0 369.266 3.991 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000437851657 945035290 /nfs/dbraw/zinc/03/52/90/945035290.db2.gz OYHOEBUQUAVNLH-HXUWFJFHSA-N 1 0 351.494 3.503 20 30 FHEDRO C=C(Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCCC(F)(F)F ZINC001270172487 945041131 /nfs/dbraw/zinc/04/11/31/945041131.db2.gz WMCVXZOAVHLOFE-ROUUACIJSA-N 1 0 366.427 3.803 20 30 FHEDRO N#Cc1ccc(-c2ccccc2)nc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167984700 945042801 /nfs/dbraw/zinc/04/28/01/945042801.db2.gz USEQPGFKXHVJOZ-UHFFFAOYSA-N 1 0 354.413 3.771 20 30 FHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330147617 945376440 /nfs/dbraw/zinc/37/64/40/945376440.db2.gz ITOCYSUBPHRIDK-KRWDZBQOSA-N 1 0 351.535 3.636 20 30 FHEDRO Cc1c(C(=O)NC2CC[NH+](C3CCCC3)CC2)nnn1-c1cccc(C)c1 ZINC000330147291 945376673 /nfs/dbraw/zinc/37/66/73/945376673.db2.gz INARBCGZNAJTKC-UHFFFAOYSA-N 1 0 367.497 3.596 20 30 FHEDRO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000330168292 945385401 /nfs/dbraw/zinc/38/54/01/945385401.db2.gz WHWBPOQDADRFOO-PQUAAJSLSA-N 1 0 373.545 3.718 20 30 FHEDRO CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CC[NH+](CCCCC#N)CC1 ZINC000365002638 945408653 /nfs/dbraw/zinc/40/86/53/945408653.db2.gz BNEVLUBOLGFGBF-UHFFFAOYSA-N 1 0 367.415 3.936 20 30 FHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@@H]1CCOC1 ZINC000330266396 945433923 /nfs/dbraw/zinc/43/39/23/945433923.db2.gz PXHLDBIPLMJFRA-KBPBESRZSA-N 1 0 361.511 3.833 20 30 FHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CCCOCC1)c1ccccc1O2 ZINC000330269631 945435188 /nfs/dbraw/zinc/43/51/88/945435188.db2.gz SDLNLMLACBFEEO-WMZOPIPTSA-N 1 0 358.482 3.748 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCC(=O)c2ccccc21)C(C)C ZINC000550294038 945443218 /nfs/dbraw/zinc/44/32/18/945443218.db2.gz YXXOVIIWBVWBQV-PMACEKPBSA-N 1 0 354.494 3.562 20 30 FHEDRO CC[N@H+](C[C@@H](O)COc1cc(C)cc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507699952 945465127 /nfs/dbraw/zinc/46/51/27/945465127.db2.gz DYPPOKWNFMIDFK-GHTZIAJQSA-N 1 0 352.478 3.998 20 30 FHEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1OC ZINC000280947090 945475658 /nfs/dbraw/zinc/47/56/58/945475658.db2.gz RHAVSNUPZAZCFS-CVEARBPZSA-N 1 0 354.450 3.888 20 30 FHEDRO CCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccccc1CC ZINC000027056727 945505323 /nfs/dbraw/zinc/50/53/23/945505323.db2.gz UARZLEJKVBNJDY-UHFFFAOYSA-O 1 0 367.538 3.964 20 30 FHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)o2)cc1 ZINC000281065638 945515041 /nfs/dbraw/zinc/51/50/41/945515041.db2.gz SKSKANINAHRDNE-OTWHNJEPSA-N 1 0 366.465 3.514 20 30 FHEDRO CN(CCCOCc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000281259698 945582353 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FHEDRO C=C(C)[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC000661036075 945680280 /nfs/dbraw/zinc/68/02/80/945680280.db2.gz DCZFHVFFVCFHLH-RHSMWYFYSA-N 1 0 351.441 3.754 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(C)cc1 ZINC000027311783 945695007 /nfs/dbraw/zinc/69/50/07/945695007.db2.gz KUUGLCMIGXJTKS-UHFFFAOYSA-O 1 0 361.437 3.665 20 30 FHEDRO C[C@H](c1ccccc1)N(CC#Cc1ccc(C(F)(F)F)cc1)CC(N)=O ZINC000123905521 945697698 /nfs/dbraw/zinc/69/76/98/945697698.db2.gz ZUUAKORWDIMBGP-OAHLLOKOSA-N 1 0 360.379 3.605 20 30 FHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCCC2)C(=S)NC ZINC000027302115 945702832 /nfs/dbraw/zinc/70/28/32/945702832.db2.gz LDJGNLBODGENMT-UHFFFAOYSA-O 1 0 353.511 3.574 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2C(C)C)cc1 ZINC000522711600 945703642 /nfs/dbraw/zinc/70/36/42/945703642.db2.gz GXGAXWAFCRNDMS-HXUWFJFHSA-N 1 0 357.498 3.842 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000661100440 945729961 /nfs/dbraw/zinc/72/99/61/945729961.db2.gz AYFHDJFXPVOVSI-ODIFPOPNSA-N 1 0 373.463 3.789 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@]12CCc1ccccc12)C(C)C ZINC000440636328 945732231 /nfs/dbraw/zinc/73/22/31/945732231.db2.gz FLGKSEYTUBSHFQ-XJUOHMSHSA-N 1 0 352.522 3.705 20 30 FHEDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(OCCCC#N)c1 ZINC000519773960 945732627 /nfs/dbraw/zinc/73/26/27/945732627.db2.gz UCSOVZMDUJSOPX-UHFFFAOYSA-N 1 0 353.422 3.952 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000661114968 945737361 /nfs/dbraw/zinc/73/73/61/945737361.db2.gz NKDKQHXXXYHMEN-UONOGXRCSA-N 1 0 360.483 3.770 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000661118133 945744679 /nfs/dbraw/zinc/74/46/79/945744679.db2.gz WWLZYMBBNGBAOI-FPOVZHCZSA-N 1 0 370.537 3.576 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000661116753 945747891 /nfs/dbraw/zinc/74/78/91/945747891.db2.gz ZWEKGQXLTWEMJR-BEFAXECRSA-N 1 0 374.506 3.970 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000661117383 945749904 /nfs/dbraw/zinc/74/99/04/945749904.db2.gz QMAGWPRGNRHRBH-HIFRSBDPSA-N 1 0 357.454 3.577 20 30 FHEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000415581665 945750970 /nfs/dbraw/zinc/75/09/70/945750970.db2.gz NXBMPYOMVPYHAQ-GOSISDBHSA-N 1 0 371.525 3.758 20 30 FHEDRO CC(C)C[NH+]1CCC(NC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000444042733 945753196 /nfs/dbraw/zinc/75/31/96/945753196.db2.gz CEVBJUKXJQZNLM-UHFFFAOYSA-N 1 0 366.509 3.795 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000519810175 945775627 /nfs/dbraw/zinc/77/56/27/945775627.db2.gz CWILESXOUHWBII-QGZVFWFLSA-N 1 0 364.449 3.780 20 30 FHEDRO COc1cc(CNc2ccc(N(C)C3CC[NH+](C)CC3)cc2)ccc1C#N ZINC000281669017 945804089 /nfs/dbraw/zinc/80/40/89/945804089.db2.gz LIYOPCJSMOPQQB-UHFFFAOYSA-N 1 0 364.493 3.709 20 30 FHEDRO CN(C)C(=O)CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000519857832 945825210 /nfs/dbraw/zinc/82/52/10/945825210.db2.gz LGGTWZNARWGZSU-UHFFFAOYSA-N 1 0 353.441 3.568 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](CC(C)C)C2CC2)c1C#N ZINC000044898355 945850442 /nfs/dbraw/zinc/85/04/42/945850442.db2.gz PWBYAKSPLIMDPL-UHFFFAOYSA-N 1 0 368.481 3.677 20 30 FHEDRO Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000519907874 945872976 /nfs/dbraw/zinc/87/29/76/945872976.db2.gz MLTVBGPTSAAGDY-NRFANRHFSA-N 1 0 352.478 3.765 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(C)nc1-c1cccs1)C(C)C ZINC000506847903 945916715 /nfs/dbraw/zinc/91/67/15/945916715.db2.gz CFANFRQVGUVRJY-QGZVFWFLSA-N 1 0 372.538 3.577 20 30 FHEDRO N#CCCC[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1 ZINC000415973675 945939586 /nfs/dbraw/zinc/93/95/86/945939586.db2.gz NCVOSUQWYWYDRX-LJQANCHMSA-N 1 0 364.449 3.725 20 30 FHEDRO CC(C)Oc1cc(C[N@H+](CCCC2(C#N)CCOCC2)C2CC2)ccn1 ZINC000281934338 945963272 /nfs/dbraw/zinc/96/32/72/945963272.db2.gz IHANCMBOYASWCI-UHFFFAOYSA-N 1 0 357.498 3.934 20 30 FHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281935502 945965038 /nfs/dbraw/zinc/96/50/38/945965038.db2.gz UGEUIIFNWUZORJ-UHFFFAOYSA-N 1 0 372.557 3.686 20 30 FHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000101549836 945969662 /nfs/dbraw/zinc/96/96/62/945969662.db2.gz IGFQBSXNOPJQMV-GFCCVEGCSA-N 1 0 356.297 3.826 20 30 FHEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000282003678 946000530 /nfs/dbraw/zinc/00/05/30/946000530.db2.gz NVMZZVVYZBMDTH-NRFANRHFSA-N 1 0 355.526 3.683 20 30 FHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cc1c(C)cc(C#N)cc1C ZINC001271405247 946000884 /nfs/dbraw/zinc/00/08/84/946000884.db2.gz UNKLSDOCDDGXMX-JTHBVZDNSA-N 1 0 373.500 3.861 20 30 FHEDRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC001126497582 946011778 /nfs/dbraw/zinc/01/17/78/946011778.db2.gz NDKHAVXEKWEDJG-JOCHJYFZSA-N 1 0 361.489 3.786 20 30 FHEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)C1 ZINC000661382178 946049876 /nfs/dbraw/zinc/04/98/76/946049876.db2.gz UBFIICRIABJQPY-HKUYNNGSSA-N 1 0 372.509 3.655 20 30 FHEDRO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000444234047 946098796 /nfs/dbraw/zinc/09/87/96/946098796.db2.gz CLVIWHJUSNQCSW-AWEZNQCLSA-N 1 0 371.868 3.722 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520132631 946162758 /nfs/dbraw/zinc/16/27/58/946162758.db2.gz KSGLRVRBYHOGGP-OTWHNJEPSA-N 1 0 368.525 3.622 20 30 FHEDRO COc1ccc(C[NH+]2CCC(CNc3nc(C)cc(C)c3C#N)CC2)cc1 ZINC000520139097 946197014 /nfs/dbraw/zinc/19/70/14/946197014.db2.gz LLALBTHLQIPZSL-UHFFFAOYSA-N 1 0 364.493 3.903 20 30 FHEDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000522986557 946205543 /nfs/dbraw/zinc/20/55/43/946205543.db2.gz HXEFWRQRSZCROL-KRWDZBQOSA-N 1 0 350.503 3.531 20 30 FHEDRO C=C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000662868059 946210113 /nfs/dbraw/zinc/21/01/13/946210113.db2.gz XDBFAAORUHAWFM-CZAAIQMYSA-N 1 0 352.453 3.747 20 30 FHEDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000151392334 946240414 /nfs/dbraw/zinc/24/04/14/946240414.db2.gz GIGMXPIXSBGBEY-CYBMUJFWSA-N 1 0 372.266 3.828 20 30 FHEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000925097928 946251426 /nfs/dbraw/zinc/25/14/26/946251426.db2.gz JYMUOHACRMENFY-MRXNPFEDSA-N 1 0 350.466 3.776 20 30 FHEDRO C=CCC[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000617111562 946301530 /nfs/dbraw/zinc/30/15/30/946301530.db2.gz ZOSXQQHMHLGYSW-QFIPXVFZSA-N 1 0 370.537 3.744 20 30 FHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000520258246 946310906 /nfs/dbraw/zinc/31/09/06/946310906.db2.gz HNMXIJTYIZFIKX-QUCCMNQESA-N 1 0 371.573 3.898 20 30 FHEDRO Cc1ccc(NC(=O)[C@H]2CCCN(CC#Cc3ccccc3Cl)C2)nc1 ZINC000441269550 946362956 /nfs/dbraw/zinc/36/29/56/946362956.db2.gz ZHOFZPKAXMJBNC-SFHVURJKSA-N 1 0 367.880 3.746 20 30 FHEDRO COc1ccc(OC)c(NC(=[NH2+])N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000262511700 946369197 /nfs/dbraw/zinc/36/91/97/946369197.db2.gz DFMKJKAYHWOYNI-BXUZGUMPSA-N 1 0 363.820 3.779 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652171152 946435237 /nfs/dbraw/zinc/43/52/37/946435237.db2.gz BVFNPHURMWPOHZ-TUFLPTIASA-N 1 0 371.525 3.622 20 30 FHEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000441336191 946442707 /nfs/dbraw/zinc/44/27/07/946442707.db2.gz ZYXXJZKQXSWSJO-PMVMPFDFSA-N 1 0 364.489 3.875 20 30 FHEDRO Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000441337310 946444337 /nfs/dbraw/zinc/44/43/37/946444337.db2.gz ISJVFYDBBZQNTJ-HXUWFJFHSA-N 1 0 352.478 3.516 20 30 FHEDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000475126575 946449119 /nfs/dbraw/zinc/44/91/19/946449119.db2.gz FVRFTXDQXKKCGB-QFIPXVFZSA-N 1 0 350.462 3.874 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000043266571 946451734 /nfs/dbraw/zinc/45/17/34/946451734.db2.gz LCDUOAMFBYAKJJ-UHFFFAOYSA-N 1 0 370.403 3.576 20 30 FHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)NC1(C#N)CCCCC1 ZINC000441357175 946476117 /nfs/dbraw/zinc/47/61/17/946476117.db2.gz NKNJMPLKWUVXQM-FQEVSTJZSA-N 1 0 355.526 3.981 20 30 FHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444327379 946582554 /nfs/dbraw/zinc/58/25/54/946582554.db2.gz QHBLFDMLIQPVLP-KRWDZBQOSA-N 1 0 366.509 3.747 20 30 FHEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000523007362 946585853 /nfs/dbraw/zinc/58/58/53/946585853.db2.gz IYWOYYCGJWDKFS-HNAYVOBHSA-N 1 0 358.869 3.514 20 30 FHEDRO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)C(C)(C)C ZINC000661755667 946591483 /nfs/dbraw/zinc/59/14/83/946591483.db2.gz OHAUQYCCKNZMQV-GOSISDBHSA-N 1 0 372.509 3.798 20 30 FHEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N(C)Cc1ccc(F)cc1 ZINC000262520093 946600485 /nfs/dbraw/zinc/60/04/85/946600485.db2.gz DQMYGNVUELUWJJ-UHFFFAOYSA-N 1 0 360.380 3.508 20 30 FHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)N[C@H]1CCOc2ccccc21 ZINC000262520370 946602484 /nfs/dbraw/zinc/60/24/84/946602484.db2.gz NSMDLIMKAWSMHX-HNNXBMFYSA-N 1 0 365.355 3.513 20 30 FHEDRO C=CC[N@@H+](CCc1ccccc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000469898414 946604787 /nfs/dbraw/zinc/60/47/87/946604787.db2.gz PZAFFVUUOSTKOO-MRXNPFEDSA-N 1 0 351.429 3.593 20 30 FHEDRO C=CCn1c(N2CCN([C@@H](C)c3ccsc3)CC2)nnc1C(C)(C)C ZINC000508490931 946645120 /nfs/dbraw/zinc/64/51/20/946645120.db2.gz DWWZFGHTIFJNFF-HNNXBMFYSA-N 1 0 359.543 3.706 20 30 FHEDRO C[N@@H+]1CCC[C@]2(CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C2)C1 ZINC000549572657 946704251 /nfs/dbraw/zinc/70/42/51/946704251.db2.gz SFMXPQSZBJNUJJ-FQEVSTJZSA-N 1 0 372.419 3.630 20 30 FHEDRO C=CCC1([NH2+]CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)CCCC1 ZINC000661852325 946761307 /nfs/dbraw/zinc/76/13/07/946761307.db2.gz QYOZLNVDMYMNRG-UHFFFAOYSA-N 1 0 362.470 3.520 20 30 FHEDRO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)Oc1cccc(F)c1 ZINC000305181044 946827831 /nfs/dbraw/zinc/82/78/31/946827831.db2.gz BMSHCZBXXUTQQQ-NSHDSACASA-N 1 0 371.334 3.918 20 30 FHEDRO [NH2+]=C(NCCc1ccc(CO)cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000305775236 946869580 /nfs/dbraw/zinc/86/95/80/946869580.db2.gz NHAQWGTWNURSDO-UHFFFAOYSA-N 1 0 361.445 3.941 20 30 FHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C[C@@H](CC#N)c2ccccc2)o1 ZINC000475317236 946881203 /nfs/dbraw/zinc/88/12/03/946881203.db2.gz YTGCLMDSYCOERA-LJQANCHMSA-N 1 0 353.466 3.566 20 30 FHEDRO N#CC(CC[NH2+][C@@H]1CCCC[C@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000193120271 946932560 /nfs/dbraw/zinc/93/25/60/946932560.db2.gz SAOLFDTYRSZNOU-NHCUHLMSSA-N 1 0 361.489 3.520 20 30 FHEDRO C#CC[N@@H+](CC[C@H]1CCOC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000783567455 946935088 /nfs/dbraw/zinc/93/50/88/946935088.db2.gz PKZJGZFRJVBXKG-YOEHRIQHSA-N 1 0 364.283 3.635 20 30 FHEDRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000523153264 946954866 /nfs/dbraw/zinc/95/48/66/946954866.db2.gz ZOVJHGSPEFIWKR-UHFFFAOYSA-N 1 0 362.477 3.858 20 30 FHEDRO CCc1nc(NC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)sc1C ZINC000328648798 946965590 /nfs/dbraw/zinc/96/55/90/946965590.db2.gz IHKURYPBLLSEDW-CQSZACIVSA-N 1 0 373.526 3.972 20 30 FHEDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCCOc2ccccc21 ZINC000328667458 946973822 /nfs/dbraw/zinc/97/38/22/946973822.db2.gz DNLDKECZMXLOSR-QUCCMNQESA-N 1 0 365.477 3.678 20 30 FHEDRO COc1c(Cl)cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000328674762 946976142 /nfs/dbraw/zinc/97/61/42/946976142.db2.gz KCNVTKOJNUTJKP-KBPBESRZSA-N 1 0 358.269 3.764 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328685806 946986370 /nfs/dbraw/zinc/98/63/70/946986370.db2.gz FUTVABFCTNXXNU-JWMYSTGGSA-N 1 0 359.514 3.931 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000475382693 946989852 /nfs/dbraw/zinc/98/98/52/946989852.db2.gz WGKCFOJBIRYLCD-JYRKZWEQSA-N 1 0 353.510 3.938 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000328754198 947010836 /nfs/dbraw/zinc/01/08/36/947010836.db2.gz DRZPTOWACUUMLJ-QGZVFWFLSA-N 1 0 357.498 3.512 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000328765638 947018183 /nfs/dbraw/zinc/01/81/83/947018183.db2.gz GVGRFIJHILJMJD-PBHICJAKSA-N 1 0 363.889 3.666 20 30 FHEDRO C[C@H]1CCC[C@H](C)C1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000444595123 947020746 /nfs/dbraw/zinc/02/07/46/947020746.db2.gz JGKVNKKONRVLTM-ROUUACIJSA-N 1 0 368.525 3.600 20 30 FHEDRO O=C(CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)NC1CCCCC1 ZINC000328732573 947026664 /nfs/dbraw/zinc/02/66/64/947026664.db2.gz HFOGSZFANNDSMG-KRWDZBQOSA-N 1 0 362.449 3.515 20 30 FHEDRO Cn1cc(-c2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cn1 ZINC000328815928 947034805 /nfs/dbraw/zinc/03/48/05/947034805.db2.gz GSTZCMRGNUQNNT-HXUWFJFHSA-N 1 0 352.482 3.951 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc(OC)c1O ZINC000583665926 947036132 /nfs/dbraw/zinc/03/61/32/947036132.db2.gz UJQZFOCHJNYIRF-HXUWFJFHSA-N 1 0 364.489 3.766 20 30 FHEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)NC(=O)CC1CCCCC1)CC2 ZINC000328823387 947039911 /nfs/dbraw/zinc/03/99/11/947039911.db2.gz RVWWMCWWSWSBJQ-QRQLOZEOSA-N 1 0 363.546 3.776 20 30 FHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)cc1 ZINC000475609657 947045250 /nfs/dbraw/zinc/04/52/50/947045250.db2.gz DNKXHXWFAASGHW-INIZCTEOSA-N 1 0 357.498 3.606 20 30 FHEDRO O=C(CN1CCC[C@H]2C(=O)NC[C@H]21)N[C@H](c1ccccc1)C1CCCC1 ZINC000328850618 947064329 /nfs/dbraw/zinc/06/43/29/947064329.db2.gz WMRHVSSXJBESJA-QWFCFKBJSA-N 1 0 355.482 3.925 20 30 FHEDRO C[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000328849041 947064522 /nfs/dbraw/zinc/06/45/22/947064522.db2.gz BCRBHTFNLFZOIA-SJLPKXTDSA-N 1 0 359.514 3.599 20 30 FHEDRO COc1ccccc1-c1noc(C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000328853139 947065422 /nfs/dbraw/zinc/06/54/22/947065422.db2.gz SLXNJUNXQODFCX-HOCLYGCPSA-N 1 0 352.438 3.617 20 30 FHEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000328827554 947074338 /nfs/dbraw/zinc/07/43/38/947074338.db2.gz TXCCSPQZBPTCHU-YJBOKZPZSA-N 1 0 355.482 3.533 20 30 FHEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000598585931 947077255 /nfs/dbraw/zinc/07/72/55/947077255.db2.gz BVEHHQJPKKIOEH-INIZCTEOSA-N 1 0 351.288 3.714 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@H]3CCCC3(C)C)cc2)CC1 ZINC000328886478 947082473 /nfs/dbraw/zinc/08/24/73/947082473.db2.gz OXFKXWFTLAFKAX-LJQANCHMSA-N 1 0 359.514 3.742 20 30 FHEDRO C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000328889959 947083533 /nfs/dbraw/zinc/08/35/33/947083533.db2.gz RGYHNESFVSHZQP-UZLBHIALSA-N 1 0 359.514 3.742 20 30 FHEDRO Cc1noc(C)c1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000328938859 947093660 /nfs/dbraw/zinc/09/36/60/947093660.db2.gz RSOAOJILVYUPAF-UHFFFAOYSA-N 1 0 368.481 3.825 20 30 FHEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1scnc1C1CC1 ZINC000328913456 947105527 /nfs/dbraw/zinc/10/55/27/947105527.db2.gz PNWBTXJHQCFDEL-UHFFFAOYSA-N 1 0 366.556 3.708 20 30 FHEDRO O=C(Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1)c1cccs1 ZINC000328918637 947108375 /nfs/dbraw/zinc/10/83/75/947108375.db2.gz LFMDTDFOELZEAO-SJORKVTESA-N 1 0 369.490 3.741 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330452919 947174154 /nfs/dbraw/zinc/17/41/54/947174154.db2.gz LBGXXAFWKAOFPR-GFCCVEGCSA-N 1 0 354.838 3.695 20 30 FHEDRO COc1ccc(NC(=O)NCC[NH+]2CCC(C)CC2)c(Br)c1 ZINC000330470059 947178269 /nfs/dbraw/zinc/17/82/69/947178269.db2.gz MFZYBIBPPFFFTJ-UHFFFAOYSA-N 1 0 370.291 3.516 20 30 FHEDRO C=CC[C@@H]1[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000444780504 947195070 /nfs/dbraw/zinc/19/50/70/947195070.db2.gz FMTOSXQEYISHOT-SFHVURJKSA-N 1 0 351.512 3.536 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000444764718 947200871 /nfs/dbraw/zinc/20/08/71/947200871.db2.gz HLLQFLNPYZITBD-JTQLQIEISA-N 1 0 364.268 3.672 20 30 FHEDRO C=CC[C@H]1[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000444784396 947226040 /nfs/dbraw/zinc/22/60/40/947226040.db2.gz NQTZODRSXLZDRN-LJQANCHMSA-N 1 0 365.539 3.926 20 30 FHEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330685886 947233450 /nfs/dbraw/zinc/23/34/50/947233450.db2.gz AGPBYWMRUPSUAK-LBPRGKRZSA-N 1 0 360.424 3.836 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000662089057 947234433 /nfs/dbraw/zinc/23/44/33/947234433.db2.gz SEVDGRGPQVTMIH-BETUJISGSA-N 1 0 360.255 3.691 20 30 FHEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000330708165 947254927 /nfs/dbraw/zinc/25/49/27/947254927.db2.gz NKBSAXYDEWMLOM-HNNXBMFYSA-N 1 0 360.502 3.551 20 30 FHEDRO CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(C(=O)c3cccc(C#N)c3)C2)C1 ZINC001271498124 947272345 /nfs/dbraw/zinc/27/23/45/947272345.db2.gz ZYYNVRUPFKVLRW-GOSISDBHSA-N 1 0 353.510 3.923 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)C[C@H]1C ZINC000330804386 947277853 /nfs/dbraw/zinc/27/78/53/947277853.db2.gz KHMGAULBIXGKOJ-IUODEOHRSA-N 1 0 351.878 3.893 20 30 FHEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@H](O)CC2(C#N)CCOCC2)c1C ZINC000599302200 947302182 /nfs/dbraw/zinc/30/21/82/947302182.db2.gz AQLXFQQKTFQBET-CTNGQTDRSA-N 1 0 356.510 3.902 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)c(OC(C)C)c2)C[C@@H]1C ZINC000330900489 947307298 /nfs/dbraw/zinc/30/72/98/947307298.db2.gz JVPRNWQNNGWMNU-DOTOQJQBSA-N 1 0 363.502 3.833 20 30 FHEDRO CC[NH+]1CCC(NC(=O)Nc2cc(Br)c(C)cc2OC)CC1 ZINC000330912800 947309004 /nfs/dbraw/zinc/30/90/04/947309004.db2.gz HYWOXKWMSCACMW-UHFFFAOYSA-N 1 0 370.291 3.576 20 30 FHEDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C#N)s2)c2ccc(F)cc2C1 ZINC000184526656 947310913 /nfs/dbraw/zinc/31/09/13/947310913.db2.gz HHWUVMJADIIHII-KZULUSFZSA-N 1 0 357.454 3.903 20 30 FHEDRO C=CC[C@@H]1N(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCCC1(C)C ZINC000444886027 947311118 /nfs/dbraw/zinc/31/11/18/947311118.db2.gz OJCZPEVONNBAMT-FQEVSTJZSA-N 1 0 370.541 3.822 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000330957606 947317294 /nfs/dbraw/zinc/31/72/94/947317294.db2.gz CVVKDGWTXNVJHT-UHFFFAOYSA-N 1 0 364.559 3.983 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(C)C)c(OC)c2)C[C@@H]1C ZINC000330964242 947318092 /nfs/dbraw/zinc/31/80/92/947318092.db2.gz CAYPEUBMYCJTGJ-RDJZCZTQSA-N 1 0 363.502 3.833 20 30 FHEDRO COC(=O)c1ccc(C(C)C)c(NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000330970972 947319689 /nfs/dbraw/zinc/31/96/89/947319689.db2.gz GSROQZFQYGELCM-UHFFFAOYSA-N 1 0 361.486 3.795 20 30 FHEDRO CC(C)[NH+]1CCC(O)(CNC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000331021822 947322725 /nfs/dbraw/zinc/32/27/25/947322725.db2.gz PVHOGYVMTPJVEG-UHFFFAOYSA-N 1 0 360.285 3.555 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000330991727 947328063 /nfs/dbraw/zinc/32/80/63/947328063.db2.gz KSIYWUNPKXJQOC-GXTWGEPZSA-N 1 0 364.559 3.838 20 30 FHEDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)nc1 ZINC000931617816 947334410 /nfs/dbraw/zinc/33/44/10/947334410.db2.gz QJUXMDMOQOWGDD-OIBJUYFYSA-N 1 0 366.252 3.700 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(NC(C)=O)cc2Cl)C[C@H]1C ZINC000331125988 947353655 /nfs/dbraw/zinc/35/36/55/947353655.db2.gz NSYPGLASTQOCDB-IUODEOHRSA-N 1 0 366.893 3.649 20 30 FHEDRO Cc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1OC(C)C ZINC000331154459 947359460 /nfs/dbraw/zinc/35/94/60/947359460.db2.gz PFZKOBYNVLEHIW-GOSISDBHSA-N 1 0 351.516 3.545 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000331172550 947362778 /nfs/dbraw/zinc/36/27/78/947362778.db2.gz OMULFTITDFADNT-KDOFPFPSSA-N 1 0 367.921 3.792 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1C(C)C ZINC000331129248 947363635 /nfs/dbraw/zinc/36/36/35/947363635.db2.gz SGCYADUPAFNRGN-GOSISDBHSA-N 1 0 363.550 3.870 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000331228841 947364427 /nfs/dbraw/zinc/36/44/27/947364427.db2.gz CECQBCIKZGXMDH-UHFFFAOYSA-N 1 0 354.376 3.777 20 30 FHEDRO CC(C)C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1cccs1 ZINC000331217853 947371943 /nfs/dbraw/zinc/37/19/43/947371943.db2.gz GSRFICXAGLJKAN-CVEARBPZSA-N 1 0 367.559 3.526 20 30 FHEDRO CCNC(=O)Nc1ccc(C)c(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000331221082 947372936 /nfs/dbraw/zinc/37/29/36/947372936.db2.gz YKCNOHJAQCSXMX-GOSISDBHSA-N 1 0 360.502 3.790 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000331287310 947377890 /nfs/dbraw/zinc/37/78/90/947377890.db2.gz HSGALKDOAFHUIU-PGUXBMHVSA-N 1 0 372.332 3.604 20 30 FHEDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000599574643 947386487 /nfs/dbraw/zinc/38/64/87/947386487.db2.gz XDBXPAPSIPPODR-QYRCVRROSA-N 1 0 368.525 3.832 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000126780294 947399768 /nfs/dbraw/zinc/39/97/68/947399768.db2.gz MROPUVVDTXNABA-WMLDXEAASA-N 1 0 365.880 3.675 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000331344662 947399831 /nfs/dbraw/zinc/39/98/31/947399831.db2.gz UXPQGXHTOHJISE-CQSZACIVSA-N 1 0 364.287 3.746 20 30 FHEDRO N#Cc1cnc2c(Br)cccc2c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000440633570 947430436 /nfs/dbraw/zinc/43/04/36/947430436.db2.gz BLLLNBWHRLKVFY-KGLIPLIRSA-N 1 0 371.282 3.908 20 30 FHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1N1CCOCC1 ZINC000093872429 947434205 /nfs/dbraw/zinc/43/42/05/947434205.db2.gz NFMWLWSEFVGRIJ-GMAHTHKFSA-N 1 0 361.489 3.795 20 30 FHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000909615118 947438086 /nfs/dbraw/zinc/43/80/86/947438086.db2.gz WPOGYFXJKSTLNO-UHFFFAOYSA-N 1 0 353.491 3.800 20 30 FHEDRO C=CC[C@@H]1N(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CCCC1(C)C ZINC000445100392 947513612 /nfs/dbraw/zinc/51/36/12/947513612.db2.gz KKPMRVVIVKMEIA-SFHVURJKSA-N 1 0 365.562 3.652 20 30 FHEDRO C=CC[C@H]1N(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CCCC1(C)C ZINC000445118374 947526930 /nfs/dbraw/zinc/52/69/30/947526930.db2.gz QVGHYBHSJWBVLE-LJQANCHMSA-N 1 0 365.562 3.652 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000188948547 947566095 /nfs/dbraw/zinc/56/60/95/947566095.db2.gz WOHKBNOOMOURKM-CZTZKLFOSA-N 1 0 358.526 3.727 20 30 FHEDRO C=CC[C@H](C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000188997851 947578248 /nfs/dbraw/zinc/57/82/48/947578248.db2.gz WMPXPSUVCZMOBI-IPJJNNNSSA-N 1 0 370.537 3.694 20 30 FHEDRO N#CCc1ccc(COC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000785332682 947623451 /nfs/dbraw/zinc/62/34/51/947623451.db2.gz KPLOJUWQWOWBFT-FQEVSTJZSA-N 1 0 366.436 3.847 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189606793 947782121 /nfs/dbraw/zinc/78/21/21/947782121.db2.gz WLOCUHVEUSEXIT-SJLPKXTDSA-N 1 0 370.415 3.942 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CCC[NH2+]1 ZINC000662437958 947804733 /nfs/dbraw/zinc/80/47/33/947804733.db2.gz KQWDUDMBRSUEKR-LJQANCHMSA-N 1 0 352.463 3.700 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CCC[NH2+]1 ZINC000662462545 947835233 /nfs/dbraw/zinc/83/52/33/947835233.db2.gz KSVIJHYWCHOJGV-GOSISDBHSA-N 1 0 363.433 3.649 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c(OC)c1 ZINC000441478081 947877483 /nfs/dbraw/zinc/87/74/83/947877483.db2.gz SMILOGUEVQCQMC-VBSBHUPXSA-N 1 0 359.510 3.816 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000662529821 947897148 /nfs/dbraw/zinc/89/71/48/947897148.db2.gz HMYFQSRNEUZZGL-GUYCJALGSA-N 1 0 356.388 3.503 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)CCC[NH2+]1 ZINC000662533189 947898894 /nfs/dbraw/zinc/89/88/94/947898894.db2.gz JPOQRBITBSTHPO-SFHVURJKSA-N 1 0 363.433 3.649 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)CCC[NH2+]1 ZINC000662700683 947990427 /nfs/dbraw/zinc/99/04/27/947990427.db2.gz JSYJBOJBFZYZDE-QFIPXVFZSA-N 1 0 360.461 3.721 20 30 FHEDRO C[NH+](C)C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000549616283 948071588 /nfs/dbraw/zinc/07/15/88/948071588.db2.gz KLJLVJZGUWXVEU-QGZVFWFLSA-N 1 0 362.260 3.898 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(F)c(Cl)c1 ZINC000180728468 948125761 /nfs/dbraw/zinc/12/57/61/948125761.db2.gz UPPMCGLRQARFQU-CYBMUJFWSA-N 1 0 351.853 3.815 20 30 FHEDRO CC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543944187 948239685 /nfs/dbraw/zinc/23/96/85/948239685.db2.gz IQAYHZQAAGYZRE-MRXNPFEDSA-N 1 0 350.466 3.537 20 30 FHEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H](C)COC ZINC000663581289 948247125 /nfs/dbraw/zinc/24/71/25/948247125.db2.gz JMBSFFHSQQMYBT-RBUKOAKNSA-N 1 0 373.541 3.794 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000432397070 948331089 /nfs/dbraw/zinc/33/10/89/948331089.db2.gz WPPFMUYGIIWZDX-IBGZPJMESA-N 1 0 363.452 3.852 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCCC[NH+]3CCCC3)cc2)cc1 ZINC000520595329 948361843 /nfs/dbraw/zinc/36/18/43/948361843.db2.gz VPMACDJHJUTFNA-UHFFFAOYSA-N 1 0 364.449 3.958 20 30 FHEDRO COc1cccc([C@@H]2[C@H](NC(=O)C3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000183263701 948366552 /nfs/dbraw/zinc/36/65/52/948366552.db2.gz HSABSZRQGGILLD-WOJBJXKFSA-N 1 0 367.493 3.563 20 30 FHEDRO C[C@H]1CC(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000549626482 948379791 /nfs/dbraw/zinc/37/97/91/948379791.db2.gz SBBNNRYXISFPLV-ROUUACIJSA-N 1 0 355.526 3.706 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459120632 948459697 /nfs/dbraw/zinc/45/96/97/948459697.db2.gz XYIXFCVNLZEJGA-UHFFFAOYSA-N 1 0 373.545 3.569 20 30 FHEDRO C=CCn1c([C@H](C)CC)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000520663566 948528239 /nfs/dbraw/zinc/52/82/39/948528239.db2.gz OMNKDHVNKOAPSN-QZTJIDSGSA-N 1 0 353.514 3.688 20 30 FHEDRO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000467426724 948564917 /nfs/dbraw/zinc/56/49/17/948564917.db2.gz HEKMZNGVRIFQCR-UHFFFAOYSA-N 1 0 366.446 3.811 20 30 FHEDRO COc1ccc(CCC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1OC ZINC000237220386 948565134 /nfs/dbraw/zinc/56/51/34/948565134.db2.gz ZXMAABQVCLAGGR-MRXNPFEDSA-N 1 0 354.450 3.717 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000520683333 948578404 /nfs/dbraw/zinc/57/84/04/948578404.db2.gz SHIDPUGNMBKTPB-MISYRCLQSA-N 1 0 350.547 3.621 20 30 FHEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000520707481 948642115 /nfs/dbraw/zinc/64/21/15/948642115.db2.gz HPIOCNUXHJKXSA-OAHLLOKOSA-N 1 0 369.440 3.950 20 30 FHEDRO CN(CCc1nc(-c2ccccc2)no1)Cc1cn2ccccc2c1C#N ZINC000512184655 948723859 /nfs/dbraw/zinc/72/38/59/948723859.db2.gz IDHJSXFXWNEGAT-UHFFFAOYSA-N 1 0 357.417 3.535 20 30 FHEDRO CC1CC[NH+](CCCNCc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000066236855 948822774 /nfs/dbraw/zinc/82/27/74/948822774.db2.gz JENCMPLDLVGAES-UHFFFAOYSA-N 1 0 365.525 3.675 20 30 FHEDRO CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC000107937556 209281251 /nfs/dbraw/zinc/28/12/51/209281251.db2.gz QCCMYQMELDIGGY-YLJYHZDGSA-N 1 0 356.514 3.819 20 30 FHEDRO CC(C)[NH+](CCn1c(SCCCC#N)nc2ccccc2c1=O)C(C)C ZINC000036807585 208174151 /nfs/dbraw/zinc/17/41/51/208174151.db2.gz XVSUJYSUBMPPCH-UHFFFAOYSA-N 1 0 372.538 3.911 20 30 FHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(C#N)c2)CC1 ZINC000005089680 535746720 /nfs/dbraw/zinc/74/67/20/535746720.db2.gz WHAZBPMULVMNFO-UHFFFAOYSA-N 1 0 368.868 3.606 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000481459524 567955780 /nfs/dbraw/zinc/95/57/80/567955780.db2.gz MPNKZUOGUAAJNO-RBUKOAKNSA-N 1 0 370.541 3.846 20 30 FHEDRO Cc1c2cc(C)ccc2[nH]c1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000481469097 567970216 /nfs/dbraw/zinc/97/02/16/567970216.db2.gz VBEVROSLEYAVPZ-UHFFFAOYSA-N 1 0 374.488 3.860 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000602498576 567983711 /nfs/dbraw/zinc/98/37/11/567983711.db2.gz OATSAZCMRUJMGH-GBESFXJTSA-N 1 0 371.525 3.807 20 30 FHEDRO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)CC3(C#N)CCOCC3)cc2)n1 ZINC000602516346 567986618 /nfs/dbraw/zinc/98/66/18/567986618.db2.gz ZLGPQVAEGOGNSW-GOSISDBHSA-N 1 0 366.509 3.720 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000602520000 567987101 /nfs/dbraw/zinc/98/71/01/567987101.db2.gz FJGQABOURVWKOG-AWEZNQCLSA-N 1 0 356.388 3.773 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000602524193 567987590 /nfs/dbraw/zinc/98/75/90/567987590.db2.gz KUUHYUDKEPFRBW-ROUUACIJSA-N 1 0 361.555 3.649 20 30 FHEDRO CCC[C@H]([NH2+]C[C@H](C)CCC#N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000602526265 567987758 /nfs/dbraw/zinc/98/77/58/567987758.db2.gz GQZJTQLTJMSRBK-XLIONFOSSA-N 1 0 356.514 3.923 20 30 FHEDRO N#CCCCC[C@H]([NH3+])C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000602526481 567987920 /nfs/dbraw/zinc/98/79/20/567987920.db2.gz XIBHOXUYGPGHIK-KRWDZBQOSA-N 1 0 367.415 3.855 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(F)cc1Br ZINC000602527792 567988051 /nfs/dbraw/zinc/98/80/51/567988051.db2.gz MMLNYLARHBJJLJ-GFCCVEGCSA-N 1 0 355.251 3.777 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(F)c(Br)c1 ZINC000602529165 567988149 /nfs/dbraw/zinc/98/81/49/567988149.db2.gz QXJRSONGGDLLTI-ZDUSSCGKSA-N 1 0 369.278 3.819 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000602549440 567990460 /nfs/dbraw/zinc/99/04/60/567990460.db2.gz CNTSQBJKOSXOLW-MOPGFXCFSA-N 1 0 355.526 3.901 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000602550166 567990614 /nfs/dbraw/zinc/99/06/14/567990614.db2.gz IDBJYHRQVGUBJB-SJORKVTESA-N 1 0 361.917 3.997 20 30 FHEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000481486527 567992221 /nfs/dbraw/zinc/99/22/21/567992221.db2.gz QBAFBFDCHGROHB-VBKZILBWSA-N 1 0 371.868 3.906 20 30 FHEDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602574892 567996514 /nfs/dbraw/zinc/99/65/14/567996514.db2.gz GGUKMQIFHWKJGC-MUYFXNHWSA-N 1 0 357.498 3.715 20 30 FHEDRO Cc1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c(OC[C@@H]2CCOC2)c1 ZINC000602575920 567996674 /nfs/dbraw/zinc/99/66/74/567996674.db2.gz KDLOGUPEJAZMJS-RTBURBONSA-N 1 0 372.509 3.599 20 30 FHEDRO Cc1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c(OC[C@H]2CCOC2)c1 ZINC000602575915 567996699 /nfs/dbraw/zinc/99/66/99/567996699.db2.gz KDLOGUPEJAZMJS-OALUTQOASA-N 1 0 372.509 3.599 20 30 FHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000602598329 568000085 /nfs/dbraw/zinc/00/00/85/568000085.db2.gz HLMYNVXRCGETPB-AEFFLSMTSA-N 1 0 365.481 3.781 20 30 FHEDRO CC1=Nc2ccccc2C12CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000602858899 568003063 /nfs/dbraw/zinc/00/30/63/568003063.db2.gz COGHIIWHQNIFHI-IIBYNOLFSA-N 1 0 366.509 3.569 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000602674496 568008627 /nfs/dbraw/zinc/00/86/27/568008627.db2.gz CXZJLDYVGLQSMC-KGLIPLIRSA-N 1 0 369.303 3.801 20 30 FHEDRO COc1ccc(C[N@H+](Cc2ccc(CC#N)cc2)[C@H](C)CCCO)cc1 ZINC000602966784 568024970 /nfs/dbraw/zinc/02/49/70/568024970.db2.gz RDOAMZOLWJMOCB-GOSISDBHSA-N 1 0 352.478 3.924 20 30 FHEDRO N#CCC1(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000602799733 568036199 /nfs/dbraw/zinc/03/61/99/568036199.db2.gz FNGUVBCJPRHINY-UHFFFAOYSA-N 1 0 368.399 3.648 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000481569844 568057197 /nfs/dbraw/zinc/05/71/97/568057197.db2.gz HMOAQAUDQXJXPU-RDJZCZTQSA-N 1 0 353.491 3.638 20 30 FHEDRO CN(C(=O)NCC(C)(C)CCC#N)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000603434657 568100526 /nfs/dbraw/zinc/10/05/26/568100526.db2.gz FVKADGWEZQVKER-INIZCTEOSA-N 1 0 357.433 3.610 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@]2(C)CCOC2)cc1OC ZINC000603516011 568111565 /nfs/dbraw/zinc/11/15/65/568111565.db2.gz UBFRWKSJOYPLBZ-QGZVFWFLSA-N 1 0 370.287 3.539 20 30 FHEDRO N#Cc1cc(F)c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000128646068 568114442 /nfs/dbraw/zinc/11/44/42/568114442.db2.gz YPDUNEKFFXORLY-KRWDZBQOSA-N 1 0 369.415 3.621 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000181889695 568121013 /nfs/dbraw/zinc/12/10/13/568121013.db2.gz OBISNJUTWASSCY-FUHWJXTLSA-N 1 0 365.477 3.753 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)c2)c1 ZINC000291351797 568121524 /nfs/dbraw/zinc/12/15/24/568121524.db2.gz XHLBDSGERRKWAB-LJQANCHMSA-N 1 0 372.415 3.587 20 30 FHEDRO Cc1sc(NC(=O)CN2CCc3ccccc3C2(C)C)c(C#N)c1C ZINC000584670957 568143394 /nfs/dbraw/zinc/14/33/94/568143394.db2.gz AJYCJTXJLRMFPF-UHFFFAOYSA-N 1 0 353.491 3.969 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000603840768 568153997 /nfs/dbraw/zinc/15/39/97/568153997.db2.gz RRFPEUILWUSTBX-FCHUYYIVSA-N 1 0 364.489 3.590 20 30 FHEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603843042 568155337 /nfs/dbraw/zinc/15/53/37/568155337.db2.gz RKGKYHQVSMBFRL-HNAYVOBHSA-N 1 0 358.869 3.839 20 30 FHEDRO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)CCCCC1 ZINC000603889895 568177327 /nfs/dbraw/zinc/17/73/27/568177327.db2.gz CRAPFIIKETWWDN-SFHVURJKSA-N 1 0 364.493 3.690 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)CSc1ccc(C#N)cc1)c1ccccc1 ZINC000481949654 568195384 /nfs/dbraw/zinc/19/53/84/568195384.db2.gz AUSOXFMBCOLLCF-FQEVSTJZSA-N 1 0 367.518 3.850 20 30 FHEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)N(C)C)cc1OC ZINC000181918288 568196296 /nfs/dbraw/zinc/19/62/96/568196296.db2.gz OLTDZXNYBBZGRE-HNAYVOBHSA-N 1 0 353.466 3.529 20 30 FHEDRO Cc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1S(C)(=O)=O ZINC000481995162 568221601 /nfs/dbraw/zinc/22/16/01/568221601.db2.gz UXZFRZVDAFKRJQ-HXUWFJFHSA-N 1 0 368.502 3.828 20 30 FHEDRO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000541915171 568233454 /nfs/dbraw/zinc/23/34/54/568233454.db2.gz BFWFXYCPPULZGZ-OXJNMPFZSA-N 1 0 367.468 3.505 20 30 FHEDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000568852731 568236536 /nfs/dbraw/zinc/23/65/36/568236536.db2.gz QTCMSDFHLCMWFS-HNNXBMFYSA-N 1 0 367.453 3.597 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CCOc2ccc3c(c2)OCO3)cc1Cl ZINC000303165329 568254632 /nfs/dbraw/zinc/25/46/32/568254632.db2.gz IHZNXANFXMWJEW-UHFFFAOYSA-N 1 0 361.825 3.802 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569173767 568299539 /nfs/dbraw/zinc/29/95/39/568299539.db2.gz DIFJUDWHBBTOJN-AZUAARDMSA-N 1 0 373.859 3.894 20 30 FHEDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604503379 568302140 /nfs/dbraw/zinc/30/21/40/568302140.db2.gz IRKMBJPVNKQRID-UNMCSNQZSA-N 1 0 352.478 3.966 20 30 FHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2Cc3ccccc3NC2=O)cc1OC ZINC000623721823 568317473 /nfs/dbraw/zinc/31/74/73/568317473.db2.gz RFOOLKOBTKDRKE-KRWDZBQOSA-N 1 0 372.852 3.566 20 30 FHEDRO C=CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)C1CC1 ZINC000637080865 568346606 /nfs/dbraw/zinc/34/66/06/568346606.db2.gz SCDWRHYCRSKFEK-RTBURBONSA-N 1 0 367.518 3.536 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)C(C)C ZINC000604746790 568356414 /nfs/dbraw/zinc/35/64/14/568356414.db2.gz ITBQISQEIKWIDQ-JTDSTZFVSA-N 1 0 362.464 3.883 20 30 FHEDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000569630555 568411095 /nfs/dbraw/zinc/41/10/95/568411095.db2.gz YNUGSTDSNKJLDY-OAHLLOKOSA-N 1 0 367.453 3.597 20 30 FHEDRO COC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000569704449 568413021 /nfs/dbraw/zinc/41/30/21/568413021.db2.gz OWVCZDZLARRTDI-OAQYLSRUSA-N 1 0 353.441 3.643 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1-c1nc([C@H]2CN(C3CC3)CCO2)no1 ZINC000570024239 568441810 /nfs/dbraw/zinc/44/18/10/568441810.db2.gz ZNLIUGWOUKTNCI-OAHLLOKOSA-N 1 0 366.446 3.667 20 30 FHEDRO C=CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605168059 568595977 /nfs/dbraw/zinc/59/59/77/568595977.db2.gz SFZSQGWDHQWGPW-HOCLYGCPSA-N 1 0 355.404 3.574 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H](C)C#N ZINC000049982254 568641263 /nfs/dbraw/zinc/64/12/63/568641263.db2.gz ISEKKSRVNPQTMP-CQSZACIVSA-N 1 0 358.511 3.699 20 30 FHEDRO N#Cc1c(C#N)c(N2CC[C@H]([NH+]3CCCCC3)C2)nc2c1CCCCCC2 ZINC000408327256 568687946 /nfs/dbraw/zinc/68/79/46/568687946.db2.gz AVRVVFMQCGNSSF-KRWDZBQOSA-N 1 0 363.509 3.549 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000828258040 602052377 /nfs/dbraw/zinc/05/23/77/602052377.db2.gz OSOSYIYCLWFWHA-DYESRHJHSA-N 1 0 369.509 3.660 20 30 FHEDRO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(C#N)c1F ZINC000824262063 608388037 /nfs/dbraw/zinc/38/80/37/608388037.db2.gz VVKHYNLQDFQWJZ-UHFFFAOYSA-N 1 0 364.428 3.536 20 30 FHEDRO C=C1CC[NH+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000823882803 608682503 /nfs/dbraw/zinc/68/25/03/608682503.db2.gz DKPXANCHFDTEBG-UHFFFAOYSA-N 1 0 361.449 3.598 20 30 FHEDRO N#CCC1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000826380568 609430993 /nfs/dbraw/zinc/43/09/93/609430993.db2.gz FKYIGQFPOHPYMP-UHFFFAOYSA-N 1 0 358.449 3.659 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@H]43)cnc2Cl)c1 ZINC001164412734 718877529 /nfs/dbraw/zinc/87/75/29/718877529.db2.gz YDVAKWMZQQPJIJ-DLBZAZTESA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1c(Cl)ccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623657 719065966 /nfs/dbraw/zinc/06/59/66/719065966.db2.gz KGIJKXXIAYDHJN-APWZRJJASA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1c(Cl)ccnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623663 719066349 /nfs/dbraw/zinc/06/63/49/719066349.db2.gz KGIJKXXIAYDHJN-QFBILLFUSA-N 1 0 352.869 3.707 20 30 FHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CC[NH+](C4CCCC4)CC3)nn2)cc1 ZINC001165028628 721852741 /nfs/dbraw/zinc/85/27/41/721852741.db2.gz CHXSGQZCJHPPSG-HXUWFJFHSA-N 1 0 361.493 3.505 20 30 FHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[NH+](C4CCCC4)CC3)nn2)cc1 ZINC001165028624 721853053 /nfs/dbraw/zinc/85/30/53/721853053.db2.gz CHXSGQZCJHPPSG-FQEVSTJZSA-N 1 0 361.493 3.505 20 30 FHEDRO C[NH+](C)[C@H]1CCCN(c2nc3cc(F)c(F)cc3c(Cl)c2C#N)C1 ZINC001165037098 721899724 /nfs/dbraw/zinc/89/97/24/721899724.db2.gz KCHFRMDIWXKZOY-JTQLQIEISA-N 1 0 350.800 3.568 20 30 FHEDRO C[NH+](C)CC1CCN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC1 ZINC001165042130 721945813 /nfs/dbraw/zinc/94/58/13/721945813.db2.gz NIGHOMPWTMOBND-UHFFFAOYSA-N 1 0 373.863 3.586 20 30 FHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165045898 721966376 /nfs/dbraw/zinc/96/63/76/721966376.db2.gz CZNNXCMLDKZMTR-CQSZACIVSA-N 1 0 368.859 3.996 20 30 FHEDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000467119855 936324623 /nfs/dbraw/zinc/32/46/23/936324623.db2.gz SXIDSFHUZYDQLV-VQTJNVASSA-N 1 0 371.525 3.687 20 30 FHEDRO COC1CC[NH+](C2(CNc3nc(C)c(C#N)cc3Cl)CCCC2)CC1 ZINC000572900888 936325398 /nfs/dbraw/zinc/32/53/98/936325398.db2.gz IOXXSOQMEMKZSF-UHFFFAOYSA-N 1 0 362.905 3.751 20 30 FHEDRO CC(C)(C)OC(=O)C1(Nc2cccc3[nH]cc(CC#N)c32)CCC([NH3+])CC1 ZINC001167643462 936339935 /nfs/dbraw/zinc/33/99/35/936339935.db2.gz FVCQEEQZIPYWLM-UHFFFAOYSA-N 1 0 368.481 3.628 20 30 FHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3sccc3C#N)cc2)CC1 ZINC000052034603 936342464 /nfs/dbraw/zinc/34/24/64/936342464.db2.gz CUEVEXTWDPFRRJ-UHFFFAOYSA-N 1 0 353.491 3.782 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166644426 936379028 /nfs/dbraw/zinc/37/90/28/936379028.db2.gz IXGRFJBSOMUKSL-FUHWJXTLSA-N 1 0 374.916 3.871 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CC)[C@H](C)O)cc1OCC ZINC000449547398 937088610 /nfs/dbraw/zinc/08/86/10/937088610.db2.gz XUYFKMIMTXLEND-WFASDCNBSA-N 1 0 372.303 3.662 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)cc1Cl ZINC000583065776 937090777 /nfs/dbraw/zinc/09/07/77/937090777.db2.gz FLANYKBJUSRCHK-CZUORRHYSA-N 1 0 362.832 3.636 20 30 FHEDRO C=CCOc1ccccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161530716 937117450 /nfs/dbraw/zinc/11/74/50/937117450.db2.gz PCYDQPDLBDYMFE-UHFFFAOYSA-N 1 0 367.449 3.918 20 30 FHEDRO CN(CC[NH+](C)C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000176387680 937124056 /nfs/dbraw/zinc/12/40/56/937124056.db2.gz GMPCNYROCWGPDR-UHFFFAOYSA-N 1 0 357.841 3.638 20 30 FHEDRO C[N@H+](CCc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1)C1CC1 ZINC000471102693 927122981 /nfs/dbraw/zinc/12/29/81/927122981.db2.gz BJWCSSANNCCTAF-HXUWFJFHSA-N 1 0 372.472 3.516 20 30 FHEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc2ncsc2c1 ZINC000547623736 927167712 /nfs/dbraw/zinc/16/77/12/927167712.db2.gz MERXBQZBMWLXPR-AWEZNQCLSA-N 1 0 356.495 3.632 20 30 FHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000579720525 927187897 /nfs/dbraw/zinc/18/78/97/927187897.db2.gz CNBFKZDPOWCFMW-GOSISDBHSA-N 1 0 352.400 3.947 20 30 FHEDRO C=CCN1CC[C@H]([N@H+](Cc2cccs2)C2Cc3ccccc3C2)C1=O ZINC000579724285 927190679 /nfs/dbraw/zinc/19/06/79/927190679.db2.gz KFRBIRQCYFBARG-FQEVSTJZSA-N 1 0 352.503 3.504 20 30 FHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000430156681 927404599 /nfs/dbraw/zinc/40/45/99/927404599.db2.gz OCCAEQQGXILSLH-INIZCTEOSA-N 1 0 363.339 3.505 20 30 FHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)nc1 ZINC000430174502 927524896 /nfs/dbraw/zinc/52/48/96/927524896.db2.gz WFPWXLHSFBAEQK-OAQYLSRUSA-N 1 0 356.429 3.669 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCC3(CC#N)CC3)cc2)C1 ZINC000430181434 927595661 /nfs/dbraw/zinc/59/56/61/927595661.db2.gz VORDPWQDTOLIQS-QZTJIDSGSA-N 1 0 368.525 3.658 20 30 FHEDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000543981219 927714041 /nfs/dbraw/zinc/71/40/41/927714041.db2.gz KEIMECSPGXOIAA-CXIVCQEWSA-N 1 0 356.514 3.614 20 30 FHEDRO C[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccccc1 ZINC000248045270 937198954 /nfs/dbraw/zinc/19/89/54/937198954.db2.gz MVBNXSPZBAHFTQ-FCHUYYIVSA-N 1 0 374.488 3.678 20 30 FHEDRO N#Cc1ccsc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246877229 927862017 /nfs/dbraw/zinc/86/20/17/927862017.db2.gz CWHNLZYNKCMMSB-RTBURBONSA-N 1 0 365.502 3.746 20 30 FHEDRO C=CCN(CC=C)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000109027487 928048611 /nfs/dbraw/zinc/04/86/11/928048611.db2.gz JYUVMLVVNWYEBS-UHFFFAOYSA-N 1 0 370.497 3.707 20 30 FHEDRO CC(C)[C@@H](CNC(=O)c1cccc(CC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000049657965 928284507 /nfs/dbraw/zinc/28/45/07/928284507.db2.gz QWERKUJIBATDMB-JOCHJYFZSA-N 1 0 361.489 3.565 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1C#N ZINC000157632975 928351011 /nfs/dbraw/zinc/35/10/11/928351011.db2.gz ZSTIIIRGQNVMPX-GOSISDBHSA-N 1 0 358.486 3.684 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000178830018 937251358 /nfs/dbraw/zinc/25/13/58/937251358.db2.gz MFYGIOKMXIAPMM-KRWDZBQOSA-N 1 0 373.909 3.723 20 30 FHEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278157134 937278251 /nfs/dbraw/zinc/27/82/51/937278251.db2.gz AZCPBTCYPGLMMN-FOIQADDNSA-N 1 0 371.506 3.610 20 30 FHEDRO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000510132400 928938872 /nfs/dbraw/zinc/93/88/72/928938872.db2.gz KZLPHISEXHQKFF-QHCPKHFHSA-N 1 0 361.489 3.618 20 30 FHEDRO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000579879183 929114707 /nfs/dbraw/zinc/11/47/07/929114707.db2.gz VQLAOTRJLQESDI-IYBDPMFKSA-N 1 0 367.415 3.986 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000375604193 929448399 /nfs/dbraw/zinc/44/83/99/929448399.db2.gz FHADHAWBRRVMSV-UHFFFAOYSA-N 1 0 371.843 3.745 20 30 FHEDRO CC(C)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)Cc1cccc(Cl)c1 ZINC000583322319 937346368 /nfs/dbraw/zinc/34/63/68/937346368.db2.gz CWUNVBSTUBNHMS-UHFFFAOYSA-N 1 0 353.857 3.613 20 30 FHEDRO C=CCC[C@@H](O)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278202752 937349642 /nfs/dbraw/zinc/34/96/42/937349642.db2.gz CQQIDWDGNYGFFL-OAHLLOKOSA-N 1 0 359.388 3.508 20 30 FHEDRO CCc1ccc([C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000023674545 929692234 /nfs/dbraw/zinc/69/22/34/929692234.db2.gz NEHHWVAMLLLYOJ-IRLDBZIGSA-N 1 0 352.478 3.847 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175822282 929698288 /nfs/dbraw/zinc/69/82/88/929698288.db2.gz BOVRRMCDRAECCK-SJORKVTESA-N 1 0 372.490 3.595 20 30 FHEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000683680549 929767966 /nfs/dbraw/zinc/76/79/66/929767966.db2.gz QUWABGLJQDNPTK-QAPCUYQASA-N 1 0 358.507 3.935 20 30 FHEDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000157775739 929788926 /nfs/dbraw/zinc/78/89/26/929788926.db2.gz FUEVNDBSWUPEMM-UHFFFAOYSA-N 1 0 358.486 3.731 20 30 FHEDRO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728268981 929831330 /nfs/dbraw/zinc/83/13/30/929831330.db2.gz XLHBUXIPBMXAIS-KRWDZBQOSA-N 1 0 364.493 3.570 20 30 FHEDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000275689638 929916468 /nfs/dbraw/zinc/91/64/68/929916468.db2.gz WXZRWXVXSGIFSX-KBNVZVJVSA-N 1 0 364.493 3.727 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1Cl ZINC000657755297 937371721 /nfs/dbraw/zinc/37/17/21/937371721.db2.gz QVETWOLIHOHYRC-HNNXBMFYSA-N 1 0 350.890 3.641 20 30 FHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000580027485 929937362 /nfs/dbraw/zinc/93/73/62/929937362.db2.gz ZNMULQVBOMTSKL-ZCFHBRKKSA-N 1 0 367.493 3.581 20 30 FHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@H+](CCc1ccccc1)C1CCCC1 ZINC001167337414 929992635 /nfs/dbraw/zinc/99/26/35/929992635.db2.gz RCNITDRFAKBVSJ-QFIPXVFZSA-N 1 0 364.489 3.785 20 30 FHEDRO CCCc1cc[n+](C(C(=O)c2nccs2)C(=S)N[C@@H](C)CC)cc1 ZINC000278223173 937384440 /nfs/dbraw/zinc/38/44/40/937384440.db2.gz JKYCBRNGNUPXTH-ZDUSSCGKSA-O 1 0 362.544 3.710 20 30 FHEDRO C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000610345552 930050721 /nfs/dbraw/zinc/05/07/21/930050721.db2.gz VAQCNXFUTJXPDA-QGZVFWFLSA-N 1 0 362.477 3.714 20 30 FHEDRO C[C@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000610347788 930057233 /nfs/dbraw/zinc/05/72/33/930057233.db2.gz XJVXYBHNNUVAGY-LAUBAEHRSA-N 1 0 362.477 3.756 20 30 FHEDRO C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000610348999 930065340 /nfs/dbraw/zinc/06/53/40/930065340.db2.gz NHOMMVWTAROQTL-IXDOHACOSA-N 1 0 356.514 3.675 20 30 FHEDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351638 930089369 /nfs/dbraw/zinc/08/93/69/930089369.db2.gz BRHLTNIGYARQLT-UTKZUKDTSA-N 1 0 362.477 3.583 20 30 FHEDRO N#Cc1csc(C[NH2+]Cc2ccc(OCCOc3ccccc3)nc2)c1 ZINC000177687240 930108403 /nfs/dbraw/zinc/10/84/03/930108403.db2.gz WSYZVEVVGHMFJQ-UHFFFAOYSA-N 1 0 365.458 3.762 20 30 FHEDRO COc1cc(C[NH2+]Cc2cc(C#N)cs2)ccc1OCC(F)(F)F ZINC000177684326 930110195 /nfs/dbraw/zinc/11/01/95/930110195.db2.gz LPSUOEOFXUMJJY-UHFFFAOYSA-N 1 0 356.369 3.859 20 30 FHEDRO N#Cc1csc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000177685342 930111838 /nfs/dbraw/zinc/11/18/38/930111838.db2.gz QWBJTSSBVYNXSL-UHFFFAOYSA-N 1 0 366.412 3.792 20 30 FHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083243587 930189975 /nfs/dbraw/zinc/18/99/75/930189975.db2.gz LGJJXVRVDDMFNG-IBGZPJMESA-N 1 0 361.489 3.786 20 30 FHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000580074637 930211473 /nfs/dbraw/zinc/21/14/73/930211473.db2.gz CPQDXWOGONDYEG-JKSUJKDBSA-N 1 0 366.465 3.693 20 30 FHEDRO C=CCOCCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000548095370 930674383 /nfs/dbraw/zinc/67/43/83/930674383.db2.gz QIDGBNRIXOUXOP-UHFFFAOYSA-N 1 0 354.288 3.637 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nnc(-c4ccc(F)cc4)n3C1)CC2 ZINC000580488147 930744835 /nfs/dbraw/zinc/74/48/35/930744835.db2.gz AKVQSGFQIOTGAY-ICSRJNTNSA-N 1 0 373.435 3.548 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1sccc1C#N ZINC000135055751 930745133 /nfs/dbraw/zinc/74/51/33/930745133.db2.gz SSWMPKDNSBULPC-QAPCUYQASA-N 1 0 353.491 3.602 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(F)cc1 ZINC000078557704 930828536 /nfs/dbraw/zinc/82/85/36/930828536.db2.gz XUFWEBJSXQNBEW-UHFFFAOYSA-N 1 0 360.502 3.924 20 30 FHEDRO FC1(F)[C@@H]2C[NH+](CC[C@H]3CCCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941466 930969518 /nfs/dbraw/zinc/96/95/18/930969518.db2.gz BXGRPONAKFZFEU-OPRDCNLKSA-N 1 0 367.280 3.658 20 30 FHEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000247292358 931095470 /nfs/dbraw/zinc/09/54/70/931095470.db2.gz GNIZCKUBJQAVAM-HRAATJIYSA-N 1 0 363.461 3.763 20 30 FHEDRO C[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000610461759 931151944 /nfs/dbraw/zinc/15/19/44/931151944.db2.gz GUHHRXGFRDLEQQ-AUUYWEPGSA-N 1 0 370.884 3.875 20 30 FHEDRO CC[C@H](C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)[NH+](C)C ZINC000413408148 931164602 /nfs/dbraw/zinc/16/46/02/931164602.db2.gz AJBLLHMULDKFFL-LJQANCHMSA-N 1 0 353.441 3.879 20 30 FHEDRO CCOc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160652147 931243102 /nfs/dbraw/zinc/24/31/02/931243102.db2.gz ABCPCXCRIVITNA-UHFFFAOYSA-N 1 0 353.344 3.911 20 30 FHEDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)ccc3CC#N)cc2)CC1 ZINC001167436858 931265755 /nfs/dbraw/zinc/26/57/55/931265755.db2.gz CXGIZZXKQNMGSZ-UHFFFAOYSA-N 1 0 354.885 3.770 20 30 FHEDRO COc1cccc([C@H]2C[C@H]([N@H+](C)CC(=O)N(C)C3(C#N)CCCCC3)C2)c1 ZINC000580874917 931286365 /nfs/dbraw/zinc/28/63/65/931286365.db2.gz XOANQKISTBCRDI-WGSAOQKQSA-N 1 0 369.509 3.558 20 30 FHEDRO C=CCOc1ccc(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000580910700 931331224 /nfs/dbraw/zinc/33/12/24/931331224.db2.gz YZMWKSYPSXUZEB-GOSISDBHSA-N 1 0 359.514 3.563 20 30 FHEDRO CN(C)c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1F ZINC000160698209 931366065 /nfs/dbraw/zinc/36/60/65/931366065.db2.gz GOOXWTGSTLKJJB-UHFFFAOYSA-N 1 0 370.350 3.717 20 30 FHEDRO C[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473994 931469053 /nfs/dbraw/zinc/46/90/53/931469053.db2.gz QQZPTYOGMQPBTA-IIBYNOLFSA-N 1 0 365.452 3.929 20 30 FHEDRO COc1cc(C)ccc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160755144 931543289 /nfs/dbraw/zinc/54/32/89/931543289.db2.gz GXCASPPTQVFWFQ-UHFFFAOYSA-N 1 0 353.344 3.829 20 30 FHEDRO N#Cc1nnc2ccccc2c1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000077214118 931584048 /nfs/dbraw/zinc/58/40/48/931584048.db2.gz GKEMLCKQRPDYDU-HNNXBMFYSA-N 1 0 363.490 3.887 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@H](C)C1 ZINC000157805792 931730084 /nfs/dbraw/zinc/73/00/84/931730084.db2.gz ONEPGEXVHGJBPR-QAPCUYQASA-N 1 0 358.486 3.539 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000177965662 931799258 /nfs/dbraw/zinc/79/92/58/931799258.db2.gz BXHMJMOTJIWDBH-GOSISDBHSA-N 1 0 353.510 3.604 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000510388841 931851180 /nfs/dbraw/zinc/85/11/80/931851180.db2.gz LRVDRANDQGIQTF-UHFFFAOYSA-N 1 0 363.505 3.657 20 30 FHEDRO N#Cc1ccc(CN2CCC[N@@H+](Cc3cccc(OC(F)F)c3)CC2)cc1 ZINC000050959390 931949874 /nfs/dbraw/zinc/94/98/74/931949874.db2.gz NMBZTNGHYGADRV-UHFFFAOYSA-N 1 0 371.431 3.868 20 30 FHEDRO C[C@@H]1C[C@H](N(C)C(=O)C2(C#N)CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000933261069 931995451 /nfs/dbraw/zinc/99/54/51/931995451.db2.gz YJKAVVACSOHQGC-IEBWSBKVSA-N 1 0 371.550 3.535 20 30 FHEDRO N#CCCC1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000564889853 932014421 /nfs/dbraw/zinc/01/44/21/932014421.db2.gz FWAHYVHDYFMEAW-UHFFFAOYSA-N 1 0 354.498 3.508 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225671 932076660 /nfs/dbraw/zinc/07/66/60/932076660.db2.gz UVIRPFGWKYNIJQ-UHFFFAOYSA-N 1 0 370.434 3.521 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000165794163 932122246 /nfs/dbraw/zinc/12/22/46/932122246.db2.gz WODVSJVDBRAZOF-UHFFFAOYSA-N 1 0 350.422 3.851 20 30 FHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)cs2)CC1 ZINC000084181207 932207851 /nfs/dbraw/zinc/20/78/51/932207851.db2.gz QSZTZCDYUVNZFF-UHFFFAOYSA-N 1 0 353.491 3.782 20 30 FHEDRO N#CCC1(C[NH2+]C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000581544130 932230553 /nfs/dbraw/zinc/23/05/53/932230553.db2.gz LPPATUGZBGWZEF-QGZVFWFLSA-N 1 0 352.434 3.502 20 30 FHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc(F)cc1C#N)[NH+](C)C ZINC000477161311 932360780 /nfs/dbraw/zinc/36/07/80/932360780.db2.gz LULAGFCOUCQSDQ-KUHUBIRLSA-N 1 0 354.429 3.819 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000157872069 932445135 /nfs/dbraw/zinc/44/51/35/932445135.db2.gz YUMCDAWZGVPQTR-KRWDZBQOSA-N 1 0 366.417 3.511 20 30 FHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+]C1([C@@H]3CCCCO3)CC1)CCCC2 ZINC000933377021 932520310 /nfs/dbraw/zinc/52/03/10/932520310.db2.gz CDYAKVFZOMVHPW-KRWDZBQOSA-N 1 0 373.522 3.518 20 30 FHEDRO N#CCC[C@H](C#N)CNCc1cc(Br)ccc1Br ZINC000581701319 932523855 /nfs/dbraw/zinc/52/38/55/932523855.db2.gz XOPWPGFBVLWEMW-SNVBAGLBSA-N 1 0 371.076 3.745 20 30 FHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCCC2(C)C)c1C#N ZINC000477438508 932606254 /nfs/dbraw/zinc/60/62/54/932606254.db2.gz UYLWNUSZNNUUOS-UHFFFAOYSA-N 1 0 364.493 3.838 20 30 FHEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000581768888 932641949 /nfs/dbraw/zinc/64/19/49/932641949.db2.gz LSJLNMGNWILFLX-GOSISDBHSA-N 1 0 364.449 3.908 20 30 FHEDRO C=CCCCCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000471700764 932644056 /nfs/dbraw/zinc/64/40/56/932644056.db2.gz LQNZFPHLZPPWHB-SFHVURJKSA-N 1 0 354.416 3.914 20 30 FHEDRO CC(C)(C#N)CCC[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933437524 932647111 /nfs/dbraw/zinc/64/71/11/932647111.db2.gz OLIGCURURVPJNO-KRWDZBQOSA-N 1 0 353.304 3.662 20 30 FHEDRO C[C@@H](NCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(C#N)cc1 ZINC000581836778 932720789 /nfs/dbraw/zinc/72/07/89/932720789.db2.gz NGTGWNOWTITCOK-SNVBAGLBSA-N 1 0 358.323 3.876 20 30 FHEDRO Cc1sc(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCC2)c(C#N)c1C ZINC000610542773 932755958 /nfs/dbraw/zinc/75/59/58/932755958.db2.gz TXDKWHJGDCJGHD-UHFFFAOYSA-N 1 0 357.454 3.983 20 30 FHEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000178178730 932762094 /nfs/dbraw/zinc/76/20/94/932762094.db2.gz BNTSPNYEJRHPNQ-OXJNMPFZSA-N 1 0 365.477 3.827 20 30 FHEDRO C#CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CCCCC1 ZINC000276609305 932805157 /nfs/dbraw/zinc/80/51/57/932805157.db2.gz GIJNFOPFNPKZQQ-SFHVURJKSA-N 1 0 353.510 3.697 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178196844 932864131 /nfs/dbraw/zinc/86/41/31/932864131.db2.gz QKSDZCQRCIYUEP-FUHWJXTLSA-N 1 0 372.900 3.928 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(-c4ccncc4)cn3)CC2)cc1 ZINC000891620502 932864291 /nfs/dbraw/zinc/86/42/91/932864291.db2.gz BLDSXNQGTNRKAG-UHFFFAOYSA-N 1 0 369.472 3.728 20 30 FHEDRO N#Cc1cc(Cl)ccc1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000187464315 932893610 /nfs/dbraw/zinc/89/36/10/932893610.db2.gz ALPJDJOOXSOZFH-UHFFFAOYSA-N 1 0 361.917 3.536 20 30 FHEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000328856880 933022912 /nfs/dbraw/zinc/02/29/12/933022912.db2.gz XMZDKTYUAZCRBK-ZMMAXQRCSA-N 1 0 363.546 3.776 20 30 FHEDRO O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328889570 933119249 /nfs/dbraw/zinc/11/92/49/933119249.db2.gz QRPQZIVGJORRDQ-INIZCTEOSA-N 1 0 373.888 3.631 20 30 FHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000510552879 933219246 /nfs/dbraw/zinc/21/92/46/933219246.db2.gz QNUMNDXMGHCWLL-LAUBAEHRSA-N 1 0 361.489 3.706 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088374121 933287568 /nfs/dbraw/zinc/28/75/68/933287568.db2.gz BZTHJRDYVSMISX-UHFFFAOYSA-N 1 0 370.453 3.534 20 30 FHEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000430874885 933352929 /nfs/dbraw/zinc/35/29/29/933352929.db2.gz IUVOBGDPHBYKQA-LJQANCHMSA-N 1 0 350.462 3.736 20 30 FHEDRO C=CCOc1cccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000510659814 933375846 /nfs/dbraw/zinc/37/58/46/933375846.db2.gz SUNMXJHNXZJVIU-LJQANCHMSA-N 1 0 353.466 3.546 20 30 FHEDRO N#CC1(NC(=O)CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000328974593 933521904 /nfs/dbraw/zinc/52/19/04/933521904.db2.gz VYUNGRFVZCLCNM-LJQANCHMSA-N 1 0 360.546 3.757 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000610615030 933538804 /nfs/dbraw/zinc/53/88/04/933538804.db2.gz SBRRSSCVFFHJPW-LJQANCHMSA-N 1 0 371.431 3.866 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610707809 933862978 /nfs/dbraw/zinc/86/29/78/933862978.db2.gz XLNNOLNKTQEXOE-FIKGOQFSSA-N 1 0 362.477 3.581 20 30 FHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000610718038 933928195 /nfs/dbraw/zinc/92/81/95/933928195.db2.gz KIKWJXCVUUOMPC-HOTGVXAUSA-N 1 0 360.527 3.934 20 30 FHEDRO CCN(Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C[C@@H](C)C#N ZINC000091982834 933931517 /nfs/dbraw/zinc/93/15/17/933931517.db2.gz PBIYTHLIUFFDAA-INIZCTEOSA-N 1 0 351.450 3.929 20 30 FHEDRO CCOc1c(Br)cc(CN(CC)C[C@H](C)C#N)cc1OC ZINC000091982572 933931825 /nfs/dbraw/zinc/93/18/25/933931825.db2.gz DKMIEHYEFKCPKZ-GFCCVEGCSA-N 1 0 355.276 3.838 20 30 FHEDRO COc1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)cc1OCCCC#N ZINC000092219130 933938973 /nfs/dbraw/zinc/93/89/73/933938973.db2.gz DGMBDUYNPKNZMZ-FQEVSTJZSA-N 1 0 371.525 3.828 20 30 FHEDRO CCC[N@H+](Cc1ccnc(C#N)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000749523434 933947771 /nfs/dbraw/zinc/94/77/71/933947771.db2.gz WFSVURPTRHSYPY-UHFFFAOYSA-N 1 0 358.486 3.565 20 30 FHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc(OC)c1O ZINC000092754737 934166051 /nfs/dbraw/zinc/16/60/51/934166051.db2.gz ABDHINDWLQCVSI-MRXNPFEDSA-N 1 0 374.525 3.502 20 30 FHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc(OC)c1O ZINC000092754738 934166252 /nfs/dbraw/zinc/16/62/52/934166252.db2.gz ABDHINDWLQCVSI-INIZCTEOSA-N 1 0 374.525 3.502 20 30 FHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000510972203 934231457 /nfs/dbraw/zinc/23/14/57/934231457.db2.gz XTLIKLVROKJJEG-BRWVUGGUSA-N 1 0 356.514 3.976 20 30 FHEDRO CCC[NH+]1CCC(CNC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458122421 934318166 /nfs/dbraw/zinc/31/81/66/934318166.db2.gz CKKXDIONUZPMQR-HXUWFJFHSA-N 1 0 356.514 3.843 20 30 FHEDRO CC[NH+](CC)[C@@H](C/N=C/c1ccc(O)c(O)c1O)c1ccccc1Cl ZINC000022769753 934357698 /nfs/dbraw/zinc/35/76/98/934357698.db2.gz BNNVAVPCYKRBPG-XYHOIZSOSA-N 1 0 362.857 3.959 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nc3ccc4scnc4c3s2)CC1 ZINC000934026822 934433282 /nfs/dbraw/zinc/43/32/82/934433282.db2.gz OMHDOBKWEWYANG-UHFFFAOYSA-N 1 0 373.507 3.678 20 30 FHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000610830022 934502913 /nfs/dbraw/zinc/50/29/13/934502913.db2.gz YACHQZCVVHSRBL-LSDHHAIUSA-N 1 0 367.449 3.643 20 30 FHEDRO N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000535833769 934562077 /nfs/dbraw/zinc/56/20/77/934562077.db2.gz LKOKHPXCBCOZNP-IBGZPJMESA-N 1 0 374.488 3.983 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1F ZINC000458275414 934576863 /nfs/dbraw/zinc/57/68/63/934576863.db2.gz NOUNHCNRKFOFEC-QGZVFWFLSA-N 1 0 369.440 3.792 20 30 FHEDRO C[C@H](c1ccccc1)[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CC1 ZINC000610968454 934663458 /nfs/dbraw/zinc/66/34/58/934663458.db2.gz WAINMUPNMAPJIN-UTKZUKDTSA-N 1 0 350.462 3.718 20 30 FHEDRO N#Cc1cccc(C2(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC000610975692 934674948 /nfs/dbraw/zinc/67/49/48/934674948.db2.gz IDBANQWVEJMGBQ-UHFFFAOYSA-N 1 0 359.473 3.963 20 30 FHEDRO N#Cc1cc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)ccn1 ZINC000610993649 934729316 /nfs/dbraw/zinc/72/93/16/934729316.db2.gz YLSVEYYMFWHHFY-UHFFFAOYSA-N 1 0 357.457 3.927 20 30 FHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000277256998 934844045 /nfs/dbraw/zinc/84/40/45/934844045.db2.gz LAOORTRKAWKSJG-GOSISDBHSA-N 1 0 363.461 3.907 20 30 FHEDRO Fc1cc(C=[NH+][N-]c2cccc3cnccc32)ccc1N1CCOCC1 ZINC000728432826 934844221 /nfs/dbraw/zinc/84/42/21/934844221.db2.gz DDRDEVNYWPJRDA-UHFFFAOYSA-N 1 0 350.397 3.657 20 30 FHEDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000277257000 934844416 /nfs/dbraw/zinc/84/44/16/934844416.db2.gz LAOORTRKAWKSJG-SFHVURJKSA-N 1 0 363.461 3.907 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000511001925 934850154 /nfs/dbraw/zinc/85/01/54/934850154.db2.gz SHMBZZRBECUVRA-OXJNMPFZSA-N 1 0 365.452 3.582 20 30 FHEDRO Cc1noc(C[C@H]([NH2+]CCCOc2cccc(C#N)c2)c2ccccc2)n1 ZINC000277272370 934856963 /nfs/dbraw/zinc/85/69/63/934856963.db2.gz RSQWFQMJKSTQEN-FQEVSTJZSA-N 1 0 362.433 3.592 20 30 FHEDRO Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000450366475 934906697 /nfs/dbraw/zinc/90/66/97/934906697.db2.gz UUIAHSQBQWSGKS-UHFFFAOYSA-N 1 0 350.466 3.722 20 30 FHEDRO C=CCCn1cc(CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1 ZINC000657313148 935116310 /nfs/dbraw/zinc/11/63/10/935116310.db2.gz GJHAHQGAXMMQJE-KDURUIRLSA-N 1 0 367.541 3.622 20 30 FHEDRO C=CCCn1cc(C[NH2+]CC(C)(C)c2ccc(Br)cc2)nn1 ZINC000657313799 935133035 /nfs/dbraw/zinc/13/30/35/935133035.db2.gz SWARQVJWLOUYQQ-UHFFFAOYSA-N 1 0 363.303 3.684 20 30 FHEDRO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507246302 945080341 /nfs/dbraw/zinc/08/03/41/945080341.db2.gz DSJXVBMWCSOQHR-UNMCSNQZSA-N 1 0 370.537 3.634 20 30 FHEDRO C[NH+](C)Cc1ccc(CNCC2(C#N)CCCCC2)c2c1OC(F)(F)O2 ZINC001203156478 935199423 /nfs/dbraw/zinc/19/94/23/935199423.db2.gz ZRSLCGUYJKTEEB-UHFFFAOYSA-N 1 0 365.424 3.633 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc2n[nH]cc2c1 ZINC000507263746 945087266 /nfs/dbraw/zinc/08/72/66/945087266.db2.gz CPFXNXFJCRYACX-CVEARBPZSA-N 1 0 361.449 3.549 20 30 FHEDRO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1F ZINC000551393462 935269023 /nfs/dbraw/zinc/26/90/23/935269023.db2.gz ICXFLMBJAPDGNX-FXAWDEMLSA-N 1 0 367.468 3.639 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000551406974 935269489 /nfs/dbraw/zinc/26/94/89/935269489.db2.gz UYBWEJIVVRRDBP-UHFFFAOYSA-N 1 0 350.447 3.790 20 30 FHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)C2)C1 ZINC000458854170 945089388 /nfs/dbraw/zinc/08/93/88/945089388.db2.gz XBOHXRPWTYMVEU-PZJWPPBQSA-N 1 0 354.498 3.549 20 30 FHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000582104399 935277146 /nfs/dbraw/zinc/27/71/46/935277146.db2.gz QTCCRPAETBMJRQ-UHFFFAOYSA-N 1 0 357.502 3.652 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(CO)c1 ZINC000121774612 935303524 /nfs/dbraw/zinc/30/35/24/935303524.db2.gz BBAYRVFSQBDGMK-DNVCBOLYSA-N 1 0 353.441 3.509 20 30 FHEDRO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551712849 935333169 /nfs/dbraw/zinc/33/31/69/935333169.db2.gz MBLXNALYOZYFGY-CQSZACIVSA-N 1 0 369.415 3.635 20 30 FHEDRO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000375678685 935394396 /nfs/dbraw/zinc/39/43/96/935394396.db2.gz KOAQLPOOVNYBSK-HNNXBMFYSA-N 1 0 366.465 3.638 20 30 FHEDRO Cc1ccc2c(ncc(C#N)c2N2CCC([C@@H](C)[NH3+])CC2)c1Br ZINC000582291460 935496093 /nfs/dbraw/zinc/49/60/93/935496093.db2.gz AMOBFURUZXOQGL-GFCCVEGCSA-N 1 0 373.298 3.741 20 30 FHEDRO CCC[N@H+](CC)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000472210749 935503222 /nfs/dbraw/zinc/50/32/22/935503222.db2.gz RJVLFJAMJZANEN-UHFFFAOYSA-N 1 0 365.477 3.599 20 30 FHEDRO Cc1cnc(C2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)s1 ZINC000277542244 935506383 /nfs/dbraw/zinc/50/63/83/935506383.db2.gz VLQKGKJSKRKZBD-CQSZACIVSA-N 1 0 354.479 3.530 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)c(F)c1 ZINC000582327946 935525929 /nfs/dbraw/zinc/52/59/29/935525929.db2.gz DYADBJIXXLHFHP-UHFFFAOYSA-N 1 0 350.397 3.617 20 30 FHEDRO C[N@H+](CCc1cccc2ccccc21)CC(=O)NCc1ccc(C#N)cc1 ZINC000507284152 945107340 /nfs/dbraw/zinc/10/73/40/945107340.db2.gz ZXJMSCYQEGACPJ-UHFFFAOYSA-N 1 0 357.457 3.502 20 30 FHEDRO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccccc1C(C)(C)C#N ZINC000563309599 935562850 /nfs/dbraw/zinc/56/28/50/935562850.db2.gz AZGLNUDFMMYFKS-UHFFFAOYSA-N 1 0 369.534 3.996 20 30 FHEDRO C=CCCn1cc(C[NH2+]CCc2cc(Cl)ccc2Br)nn1 ZINC000657410673 935615053 /nfs/dbraw/zinc/61/50/53/935615053.db2.gz DYICEHMYWHCXLN-UHFFFAOYSA-N 1 0 369.694 3.602 20 30 FHEDRO C=CCC[C@H](C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000427143256 945121642 /nfs/dbraw/zinc/12/16/42/945121642.db2.gz HSLVYTKDLGDHPZ-ZJOUEHCJSA-N 1 0 358.526 3.742 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2ccccc2)c(OC)c1 ZINC000507312391 945124859 /nfs/dbraw/zinc/12/48/59/945124859.db2.gz AFAFEEMBTDISLE-IBGZPJMESA-N 1 0 355.478 3.688 20 30 FHEDRO Cc1nc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1C#N ZINC000479220558 935819251 /nfs/dbraw/zinc/81/92/51/935819251.db2.gz ITXLPZAHJNRNEZ-MRXNPFEDSA-N 1 0 362.477 3.566 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)nn1 ZINC000657472431 935837912 /nfs/dbraw/zinc/83/79/12/935837912.db2.gz MYUIAYNWLAKQHY-KOMQPUFPSA-N 1 0 361.287 3.653 20 30 FHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2cccs2)cc1 ZINC000255515940 935838926 /nfs/dbraw/zinc/83/89/26/935838926.db2.gz JPOADBQFQOZKSJ-YISVQYQQSA-N 1 0 367.474 3.592 20 30 FHEDRO CC(C)(C#N)CCCC[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000277737458 935868476 /nfs/dbraw/zinc/86/84/76/935868476.db2.gz OQBYQLJTVHLDDC-KRWDZBQOSA-N 1 0 355.404 3.716 20 30 FHEDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000152802065 935869898 /nfs/dbraw/zinc/86/98/98/935869898.db2.gz NKDBLDCXSVDEPE-SFHVURJKSA-N 1 0 369.509 3.583 20 30 FHEDRO C=CCSCCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431465796 935889695 /nfs/dbraw/zinc/88/96/95/935889695.db2.gz QEIARDWEZDBYHY-UHFFFAOYSA-N 1 0 373.566 3.603 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)ccc2Br)CC1 ZINC000152980338 935890597 /nfs/dbraw/zinc/89/05/97/935890597.db2.gz HCIHHBYXWHYVJL-UHFFFAOYSA-N 1 0 351.288 3.528 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000479868501 935909773 /nfs/dbraw/zinc/90/97/73/935909773.db2.gz YVIBOQCYYNQRFS-KRWDZBQOSA-N 1 0 363.461 3.955 20 30 FHEDRO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000684966484 935912923 /nfs/dbraw/zinc/91/29/23/935912923.db2.gz HMWWTUJFILJMOV-NRFANRHFSA-N 1 0 368.452 3.623 20 30 FHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccc(F)c(C#N)c1)[NH+](C)C ZINC000562147366 935915719 /nfs/dbraw/zinc/91/57/19/935915719.db2.gz UMOJYTVKGSNMCF-KUHUBIRLSA-N 1 0 354.429 3.819 20 30 FHEDRO C=CCOc1c(Cl)cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000628140405 936033239 /nfs/dbraw/zinc/03/32/39/936033239.db2.gz JOXJLUZSPTYWDK-OAHLLOKOSA-N 1 0 352.906 3.687 20 30 FHEDRO Cc1cc2occ(CC(=O)NC3(C#N)CC[NH+](C)CC3)c2cc1C(C)C ZINC000077037597 936042185 /nfs/dbraw/zinc/04/21/85/936042185.db2.gz OQIHXOOLCXTSLM-UHFFFAOYSA-N 1 0 353.466 3.511 20 30 FHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000518173093 945142256 /nfs/dbraw/zinc/14/22/56/945142256.db2.gz SFVKRPVOYNZJAJ-FQEVSTJZSA-N 1 0 351.450 3.662 20 30 FHEDRO C=CCC1([NH2+]Cc2cc(Br)cc3c2OCC3)CCOCC1 ZINC000657633256 936127814 /nfs/dbraw/zinc/12/78/14/936127814.db2.gz KVMJZXRYBWFCBL-UHFFFAOYSA-N 1 0 352.272 3.599 20 30 FHEDRO C=CCOCCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000657658235 936177138 /nfs/dbraw/zinc/17/71/38/936177138.db2.gz PYUXJFYRNJWQDS-UHFFFAOYSA-N 1 0 350.260 3.522 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000078531644 936197865 /nfs/dbraw/zinc/19/78/65/936197865.db2.gz OEDLZCCHOVRADU-PXNSSMCTSA-N 1 0 362.477 3.899 20 30 FHEDRO C#CCCOc1ccc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000237708022 936221153 /nfs/dbraw/zinc/22/11/53/936221153.db2.gz FADRBLIOSSNRKE-UHFFFAOYSA-N 1 0 363.436 3.746 20 30 FHEDRO CCC[N@H+](CCOc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000507346267 945159648 /nfs/dbraw/zinc/15/96/48/945159648.db2.gz GRSGNPUOSPBZBA-QGZVFWFLSA-N 1 0 351.450 3.676 20 30 FHEDRO COc1ccc2ccccc2c1-c1cc(CNC(=[NH2+])NC(C)(C)C)on1 ZINC000262309450 938259303 /nfs/dbraw/zinc/25/93/03/938259303.db2.gz NIANNZBYCLODCS-UHFFFAOYSA-N 1 0 352.438 3.706 20 30 FHEDRO Cc1ccc[n+](C(C(=O)c2nccs2)C(=S)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000278264764 938262991 /nfs/dbraw/zinc/26/29/91/938262991.db2.gz OAZORYBBFHJBPF-LSDHHAIUSA-O 1 0 374.555 3.846 20 30 FHEDRO Cc1cccc(-c2noc(CN(C)CCOCc3ccc(C#N)cc3)n2)c1 ZINC000583464501 938264771 /nfs/dbraw/zinc/26/47/71/938264771.db2.gz VDWRFKPFQKCYNV-UHFFFAOYSA-N 1 0 362.433 3.565 20 30 FHEDRO Cc1cc[n+](C(C(=O)c2nccs2)C(=S)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000278268409 938265290 /nfs/dbraw/zinc/26/52/90/938265290.db2.gz OMVHSNUDMRLGNG-HUUCEWRRSA-O 1 0 374.555 3.846 20 30 FHEDRO N#Cc1ccc(CCC(=O)N(CC[NH+]2CCCCCC2)C2CCC2)cc1 ZINC000583519389 938289902 /nfs/dbraw/zinc/28/99/02/938289902.db2.gz CYTOYJRWTYJSRF-UHFFFAOYSA-N 1 0 353.510 3.748 20 30 FHEDRO C[C@@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1nccs1)[n+]1ccccc1 ZINC000278298673 938292534 /nfs/dbraw/zinc/29/25/34/938292534.db2.gz RJRNEBVVJOMNOZ-KGLIPLIRSA-O 1 0 360.528 3.538 20 30 FHEDRO C=CCOc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000245693814 938310193 /nfs/dbraw/zinc/31/01/93/938310193.db2.gz AXRLUKXPNOZMQS-AZUAARDMSA-N 1 0 356.510 3.709 20 30 FHEDRO COc1cc2c(cc1C[NH2+]Cc1ccc(N(C)CCC#N)cc1)O[C@H](C)C2 ZINC000128548622 938310431 /nfs/dbraw/zinc/31/04/31/938310431.db2.gz DJLXABNBRPSLQZ-MRXNPFEDSA-N 1 0 365.477 3.658 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]CC2(O)CCC(F)(F)CC2)ccc1OC ZINC000657777035 938330668 /nfs/dbraw/zinc/33/06/68/938330668.db2.gz TYHGCSIXDPZVCH-UHFFFAOYSA-N 1 0 355.425 3.680 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C#N)cc1 ZINC000052485612 938339245 /nfs/dbraw/zinc/33/92/45/938339245.db2.gz MJBSLWITSPEDBK-UHFFFAOYSA-N 1 0 367.522 3.656 20 30 FHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000246699183 938391234 /nfs/dbraw/zinc/39/12/34/938391234.db2.gz RUTVUCUAFJHPBD-JXFKEZNVSA-N 1 0 355.482 3.799 20 30 FHEDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1C ZINC000329453235 938421686 /nfs/dbraw/zinc/42/16/86/938421686.db2.gz PFVJYBNXWZTHSQ-IOMROCGXSA-N 1 0 373.541 3.636 20 30 FHEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000583852121 938450514 /nfs/dbraw/zinc/45/05/14/938450514.db2.gz RPIHAKXSKAOPNN-QFIPXVFZSA-N 1 0 372.472 3.836 20 30 FHEDRO CC(C)(C)c1nc2cc(NC(=O)N3CC[NH+](C4CCC4)CC3)ccc2o1 ZINC000329548172 938478414 /nfs/dbraw/zinc/47/84/14/938478414.db2.gz IPFMZGVYDXVQEQ-UHFFFAOYSA-N 1 0 356.470 3.841 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3ccccc3Cl)C1=O)CC2 ZINC000583964517 938507751 /nfs/dbraw/zinc/50/77/51/938507751.db2.gz OJUGZEHLQJOESW-ROUUACIJSA-N 1 0 351.837 3.594 20 30 FHEDRO CC#CCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000458776061 938557608 /nfs/dbraw/zinc/55/76/08/938557608.db2.gz QYYHGIXMJXBXDJ-ZNBHLAFESA-N 1 0 373.928 3.919 20 30 FHEDRO CCC[N@H+](CC(=O)NCc1ccc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000052825967 938614704 /nfs/dbraw/zinc/61/47/04/938614704.db2.gz LTYBWGSKGWAEFL-UHFFFAOYSA-N 1 0 361.898 3.802 20 30 FHEDRO Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000573185567 938690070 /nfs/dbraw/zinc/69/00/70/938690070.db2.gz VIPYGSGKSXFAQU-UHFFFAOYSA-N 1 0 372.472 3.611 20 30 FHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000516753075 945204084 /nfs/dbraw/zinc/20/40/84/945204084.db2.gz DQGVWDISBIQVLH-GOSISDBHSA-N 1 0 365.477 3.678 20 30 FHEDRO CC1(C#N)CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000506018465 945207328 /nfs/dbraw/zinc/20/73/28/945207328.db2.gz WAAIINSLIWNPIT-FQEVSTJZSA-N 1 0 367.518 3.969 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)CC1 ZINC000329800636 938829094 /nfs/dbraw/zinc/82/90/94/938829094.db2.gz ITLNCFDKHIVQIH-AWEZNQCLSA-N 1 0 361.486 3.609 20 30 FHEDRO CC(C)C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000128195629 938878197 /nfs/dbraw/zinc/87/81/97/938878197.db2.gz VSQSRVIIZRLFJM-FQEVSTJZSA-N 1 0 356.491 3.709 20 30 FHEDRO [NH2+]=C(NC[C@@H](O)c1cc2ccccc2s1)Nc1ccc2c(c1)CCC2 ZINC000262402959 938935912 /nfs/dbraw/zinc/93/59/12/938935912.db2.gz NZICVMPTLKGLIT-QGZVFWFLSA-N 1 0 351.475 3.850 20 30 FHEDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458803830 938964143 /nfs/dbraw/zinc/96/41/43/938964143.db2.gz ROZHURFXTBUFGB-FQEVSTJZSA-N 1 0 356.514 3.937 20 30 FHEDRO CC(C)(C#N)CCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163855511 938970531 /nfs/dbraw/zinc/97/05/31/938970531.db2.gz IFKHKLOESWTHAS-UHFFFAOYSA-N 1 0 364.331 3.897 20 30 FHEDRO N#CCc1cccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000138677466 938971889 /nfs/dbraw/zinc/97/18/89/938971889.db2.gz NCFQTRFCWXMKPM-UHFFFAOYSA-N 1 0 365.502 3.596 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCc4ccc(Cl)cc43)C2=O)cc1 ZINC000507418789 945219312 /nfs/dbraw/zinc/21/93/12/945219312.db2.gz BQBYUQWGRYEKRT-VQTJNVASSA-N 1 0 365.864 3.984 20 30 FHEDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000611940042 938993885 /nfs/dbraw/zinc/99/38/85/938993885.db2.gz ZCAUJVABUHTOMU-HNNXBMFYSA-N 1 0 356.857 3.641 20 30 FHEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000472336196 938994067 /nfs/dbraw/zinc/99/40/67/938994067.db2.gz DNWZTOKTDSUPEX-AGHHOFFYSA-N 1 0 359.473 3.617 20 30 FHEDRO C[C@@H](CCc1cccc(F)c1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611954261 938996583 /nfs/dbraw/zinc/99/65/83/938996583.db2.gz IQUAIHMVMMKMAI-HNNXBMFYSA-N 1 0 368.456 3.706 20 30 FHEDRO CC(C)[NH+](CCn1c(S[C@H](C)C#N)nc2ccccc2c1=O)C(C)C ZINC000005212026 939000599 /nfs/dbraw/zinc/00/05/99/939000599.db2.gz HCGZWWBRXZYQOA-OAHLLOKOSA-N 1 0 358.511 3.519 20 30 FHEDRO N#Cc1ccc(CCNc2ccc3c(c2)ncn3[C@H]2CCC[NH2+]CC2)cc1 ZINC001167679050 939014681 /nfs/dbraw/zinc/01/46/81/939014681.db2.gz JJYZTSMNFULIRW-FQEVSTJZSA-N 1 0 359.477 3.877 20 30 FHEDRO N#Cc1ccc(CCNc2ccc3c(c2)ncn3[C@@H]2CCC[NH2+]CC2)cc1 ZINC001167679055 939014740 /nfs/dbraw/zinc/01/47/40/939014740.db2.gz JJYZTSMNFULIRW-HXUWFJFHSA-N 1 0 359.477 3.877 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472355625 939020100 /nfs/dbraw/zinc/02/01/00/939020100.db2.gz YIZNSMYMRBNWQX-GGPKGHCWSA-N 1 0 353.510 3.671 20 30 FHEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000472357573 939048072 /nfs/dbraw/zinc/04/80/72/939048072.db2.gz BOYIYUXMEHKDDM-CTNGQTDRSA-N 1 0 361.489 3.886 20 30 FHEDRO CC(C)c1nccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000375786917 939067626 /nfs/dbraw/zinc/06/76/26/939067626.db2.gz DLCVBLQUMFTISS-LJQANCHMSA-N 1 0 365.481 3.544 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(F)c2C#N)[C@@H]1c1cccs1 ZINC000188236469 939072543 /nfs/dbraw/zinc/07/25/43/939072543.db2.gz IGWYKNUVQHBTTP-SCLBCKFNSA-N 1 0 357.454 3.572 20 30 FHEDRO N#CCc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612131583 939118295 /nfs/dbraw/zinc/11/82/95/939118295.db2.gz FKRUJKFIRWLXRV-DNVJHFABSA-N 1 0 373.500 3.783 20 30 FHEDRO N#CCc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612131598 939118525 /nfs/dbraw/zinc/11/85/25/939118525.db2.gz FKRUJKFIRWLXRV-RJGXRXQPSA-N 1 0 373.500 3.783 20 30 FHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612132177 939118906 /nfs/dbraw/zinc/11/89/06/939118906.db2.gz HAOJXULSNAWTEZ-FDFHNCONSA-N 1 0 359.473 3.589 20 30 FHEDRO N#Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612132620 939123743 /nfs/dbraw/zinc/12/37/43/939123743.db2.gz ZSJKRJOWUKIMCC-BHIFYINESA-N 1 0 359.473 3.589 20 30 FHEDRO CC1CC[NH+]([C@H](C/N=C\c2ccc(O)c(O)c2O)c2cccs2)CC1 ZINC000255754369 939165012 /nfs/dbraw/zinc/16/50/12/939165012.db2.gz JNROYZIDHWZTEH-UWOKGBPVSA-N 1 0 360.479 3.757 20 30 FHEDRO C[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000179476474 939171210 /nfs/dbraw/zinc/17/12/10/939171210.db2.gz MVBNXSPZBAHFTQ-VXKWHMMOSA-N 1 0 374.488 3.678 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)C1 ZINC000516784336 945237633 /nfs/dbraw/zinc/23/76/33/945237633.db2.gz MDJQKAUFZLITOM-LBPRGKRZSA-N 1 0 354.267 3.628 20 30 FHEDRO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000507446473 945241197 /nfs/dbraw/zinc/24/11/97/945241197.db2.gz DUIFKZBLWYYJIK-SUMWQHHRSA-N 1 0 368.506 3.732 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000507448977 945242919 /nfs/dbraw/zinc/24/29/19/945242919.db2.gz DVKZSLNSYVNADN-HZPDHXFCSA-N 1 0 371.500 3.602 20 30 FHEDRO CC[NH+]=C(NCc1nc(C(C)C)cs1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000261962337 945250175 /nfs/dbraw/zinc/25/01/75/945250175.db2.gz KORBPOIXTMYODC-IAOVAPTHSA-N 1 0 364.559 3.525 20 30 FHEDRO C=CCOc1ccc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)cc1 ZINC000151346584 945266372 /nfs/dbraw/zinc/26/63/72/945266372.db2.gz CRFIJRFZWMLHSZ-UHFFFAOYSA-N 1 0 354.450 3.753 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000519286964 945272233 /nfs/dbraw/zinc/27/22/33/945272233.db2.gz NSZLMWABZLFIMT-UHFFFAOYSA-N 1 0 366.303 3.920 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000179582638 939891442 /nfs/dbraw/zinc/89/14/42/939891442.db2.gz JJMJGXIGLCGTKX-QWHCGFSZSA-N 1 0 359.376 3.837 20 30 FHEDRO COc1cc(C)c([C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000179634545 939906547 /nfs/dbraw/zinc/90/65/47/939906547.db2.gz VBLFCWHVHUVTBH-HNNXBMFYSA-N 1 0 367.449 3.563 20 30 FHEDRO COc1ccc(C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000364336369 939919512 /nfs/dbraw/zinc/91/95/12/939919512.db2.gz DGVFMYONAJPKPH-UHFFFAOYSA-N 1 0 369.490 3.837 20 30 FHEDRO CC[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000179713245 939925744 /nfs/dbraw/zinc/92/57/44/939925744.db2.gz BBYWDSWVNQJJFX-INIZCTEOSA-N 1 0 359.376 3.839 20 30 FHEDRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000179740965 939927974 /nfs/dbraw/zinc/92/79/74/939927974.db2.gz PKSDFTQAGBKYJR-KRWDZBQOSA-N 1 0 355.438 3.846 20 30 FHEDRO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812624 939927991 /nfs/dbraw/zinc/92/79/91/939927991.db2.gz RIUPMCLWNYYDDR-RIFZZMRRSA-N 1 0 355.507 3.994 20 30 FHEDRO COc1cccc2c1OCC[C@H]2[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000375836387 939958135 /nfs/dbraw/zinc/95/81/35/939958135.db2.gz CDJIQKDQVNIMTF-HXUWFJFHSA-N 1 0 363.461 3.649 20 30 FHEDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000364681518 939982033 /nfs/dbraw/zinc/98/20/33/939982033.db2.gz IMTDFNPTVHMIQK-CQSZACIVSA-N 1 0 361.405 3.718 20 30 FHEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982441 939987392 /nfs/dbraw/zinc/98/73/92/939987392.db2.gz BJCVEPJGSOXSIU-BBWFWOEESA-N 1 0 370.415 3.545 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000458806220 939989106 /nfs/dbraw/zinc/98/91/06/939989106.db2.gz VUZDXAANWGJJMH-UYAOXDASSA-N 1 0 354.498 3.549 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000612357944 940020638 /nfs/dbraw/zinc/02/06/38/940020638.db2.gz VSGPWSDNSNNELG-FQEVSTJZSA-N 1 0 374.916 3.640 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N(CCc2ccccc2F)C2CCCC2)CC1 ZINC000519302542 945290952 /nfs/dbraw/zinc/29/09/52/945290952.db2.gz FMLHNVZFORHWOC-UHFFFAOYSA-N 1 0 373.516 3.973 20 30 FHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000548924920 940034357 /nfs/dbraw/zinc/03/43/57/940034357.db2.gz XVSAVPHLUZKRMB-UHFFFAOYSA-N 1 0 365.452 3.733 20 30 FHEDRO C[C@@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)[NH3+] ZINC000414903349 945292356 /nfs/dbraw/zinc/29/23/56/945292356.db2.gz LKDXYRHHXHTXBH-OGHNNQOOSA-N 1 0 356.857 3.853 20 30 FHEDRO COc1ccc(C[N@H+](CC(=O)Nc2sccc2C#N)[C@@H](C)C2CC2)cc1 ZINC000053098260 940061204 /nfs/dbraw/zinc/06/12/04/940061204.db2.gz WFOBNXOBSBKLBY-AWEZNQCLSA-N 1 0 369.490 3.868 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc2ccccc21 ZINC000065931192 940078959 /nfs/dbraw/zinc/07/89/59/940078959.db2.gz PDUQPQZVVHTLPW-UHFFFAOYSA-N 1 0 371.484 3.844 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)c1ccc(C#N)cc1 ZINC000548936753 940109014 /nfs/dbraw/zinc/10/90/14/940109014.db2.gz LIDCMLWDRDSHLC-BUKVSMQUSA-N 1 0 350.462 3.664 20 30 FHEDRO N#CCSCCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000375968143 940123832 /nfs/dbraw/zinc/12/38/32/940123832.db2.gz KQHDYALXEXWTEN-YLJYHZDGSA-N 1 0 368.506 3.737 20 30 FHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000124544247 945305277 /nfs/dbraw/zinc/30/52/77/945305277.db2.gz CUGTZSFFNHKHFF-INIZCTEOSA-N 1 0 359.901 3.796 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c(F)c1 ZINC000413900035 940253652 /nfs/dbraw/zinc/25/36/52/940253652.db2.gz JWMPCSZRCIYQPC-UHFFFAOYSA-N 1 0 367.424 3.574 20 30 FHEDRO N#CCc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000544144866 945307396 /nfs/dbraw/zinc/30/73/96/945307396.db2.gz CKNNWJWMKGQZQG-UHFFFAOYSA-N 1 0 359.433 3.577 20 30 FHEDRO C=CCOc1ccc(CC(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1 ZINC000413917100 940276217 /nfs/dbraw/zinc/27/62/17/940276217.db2.gz PULHCGJZCAELSV-UHFFFAOYSA-N 1 0 372.440 3.512 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000466920390 940299754 /nfs/dbraw/zinc/29/97/54/940299754.db2.gz PKMVALFPGGJCCB-DOMZBBRYSA-N 1 0 353.919 3.582 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000466920392 940300041 /nfs/dbraw/zinc/30/00/41/940300041.db2.gz PKMVALFPGGJCCB-SWLSCSKDSA-N 1 0 353.919 3.582 20 30 FHEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000431710899 940366672 /nfs/dbraw/zinc/36/66/72/940366672.db2.gz VBCNSSHPHVQAHI-AEFFLSMTSA-N 1 0 355.438 3.522 20 30 FHEDRO C=CC[N@H+](CC1Cc2ccccc2C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000685836956 940416080 /nfs/dbraw/zinc/41/60/80/940416080.db2.gz RKMHXGVTEYNNQY-QGZVFWFLSA-N 1 0 359.477 3.626 20 30 FHEDRO Cc1cc(Cl)c2ncc(C#N)c(NCCN3CC[N@@H+](C)C(C)(C)C3)c2c1 ZINC000548987678 940441797 /nfs/dbraw/zinc/44/17/97/940441797.db2.gz GUIDVWSTIAFDOG-UHFFFAOYSA-N 1 0 371.916 3.506 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC1 ZINC000511440366 940473958 /nfs/dbraw/zinc/47/39/58/940473958.db2.gz RCIRYYMKXPVQRW-NUZGMZIFSA-N 1 0 353.510 3.757 20 30 FHEDRO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000580503896 940477158 /nfs/dbraw/zinc/47/71/58/940477158.db2.gz ASENNNTUZJMOCH-SFHVURJKSA-N 1 0 361.411 3.840 20 30 FHEDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC12CCCCC2 ZINC000613188788 940480786 /nfs/dbraw/zinc/48/07/86/940480786.db2.gz DSVUFKGWYVRAIM-QUCCMNQESA-N 1 0 356.510 3.785 20 30 FHEDRO C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1ccc(C#N)c(F)c1 ZINC000581328168 940499313 /nfs/dbraw/zinc/49/93/13/940499313.db2.gz LNIZZNFPPIVFIU-LLVKDONJSA-N 1 0 353.319 3.841 20 30 FHEDRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC#N)cc1 ZINC000172473372 940506842 /nfs/dbraw/zinc/50/68/42/940506842.db2.gz DFQKKPVCBNBHLC-IRXDYDNUSA-N 1 0 373.497 3.887 20 30 FHEDRO CC[N@H+](CCC(=O)OC)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000511478503 940596364 /nfs/dbraw/zinc/59/63/64/940596364.db2.gz OCAZNRWRUOSAJG-UHFFFAOYSA-N 1 0 352.434 3.522 20 30 FHEDRO N#CCC[C@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000440247575 945338298 /nfs/dbraw/zinc/33/82/98/945338298.db2.gz XVJATTNJNAJVIR-NRFANRHFSA-N 1 0 368.525 3.939 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376284579 940703174 /nfs/dbraw/zinc/70/31/74/940703174.db2.gz ZNIDCQDAHCGFQZ-JKSUJKDBSA-N 1 0 356.491 3.557 20 30 FHEDRO Cn1cc(C[NH2+]CCc2cc(F)cc(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180157225 940719325 /nfs/dbraw/zinc/71/93/25/940719325.db2.gz CWWXYQPCDXYBKC-UHFFFAOYSA-N 1 0 352.388 3.569 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000174323792 940720566 /nfs/dbraw/zinc/72/05/66/940720566.db2.gz TVPUBAHEHBSTSR-UHFFFAOYSA-N 1 0 355.404 3.953 20 30 FHEDRO C[N@@H+]1CC[C@H](NCc2ccc(Br)cc2C#N)[C@@H]1c1ccccc1 ZINC000582575247 940732032 /nfs/dbraw/zinc/73/20/32/940732032.db2.gz QFVQAEHSKIVYLG-OALUTQOASA-N 1 0 370.294 3.856 20 30 FHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000440255396 945345971 /nfs/dbraw/zinc/34/59/71/945345971.db2.gz MOJWMEXPPHWDIC-IBGZPJMESA-N 1 0 356.514 3.795 20 30 FHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000330085494 945350177 /nfs/dbraw/zinc/35/01/77/945350177.db2.gz RJHUIUJLVGDQOU-WMZOPIPTSA-N 1 0 352.862 3.588 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000092854510 940816033 /nfs/dbraw/zinc/81/60/33/940816033.db2.gz JVRDQHQMXNMBNL-UHFFFAOYSA-N 1 0 363.461 3.998 20 30 FHEDRO Cn1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000180206101 940818603 /nfs/dbraw/zinc/81/86/03/940818603.db2.gz YEFACMHJGDEAFE-RBUKOAKNSA-N 1 0 352.507 3.819 20 30 FHEDRO Cc1cc(F)c(C#N)c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c1 ZINC000892585728 940848701 /nfs/dbraw/zinc/84/87/01/940848701.db2.gz AEBFNDJJDJLLEK-GFCCVEGCSA-N 1 0 357.458 3.550 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2nccc(C(F)(F)F)n2)CC1 ZINC000414271258 940866976 /nfs/dbraw/zinc/86/69/76/940866976.db2.gz ZLFOZRYHTQRRMG-UHFFFAOYSA-N 1 0 360.383 3.989 20 30 FHEDRO Cc1cccc(C[NH+]2CCC(NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)c1 ZINC000376385314 940883517 /nfs/dbraw/zinc/88/35/17/940883517.db2.gz LNYQFQXTZRDPNV-UHFFFAOYSA-N 1 0 373.500 3.679 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H](CO)c2ccc(F)cc2)CC1 ZINC000414286120 940899736 /nfs/dbraw/zinc/89/97/36/940899736.db2.gz IURBBHATYCDXNN-OSFYOIPJSA-N 1 0 352.453 3.895 20 30 FHEDRO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000440250084 945358478 /nfs/dbraw/zinc/35/84/78/945358478.db2.gz YXGVNBULSPZBME-FQEVSTJZSA-N 1 0 356.514 3.795 20 30 FHEDRO C=C[C@H](CC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000658950433 940906629 /nfs/dbraw/zinc/90/66/29/940906629.db2.gz VJYBBJUFIYPJTN-MAODMQOUSA-N 1 0 352.453 3.829 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)CC1 ZINC000187800551 940943721 /nfs/dbraw/zinc/94/37/21/940943721.db2.gz KMZUNASHNHJPAF-AWEZNQCLSA-N 1 0 370.415 3.629 20 30 FHEDRO O=C(Nc1ccc(Cn2cccn2)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330122322 945365072 /nfs/dbraw/zinc/36/50/72/945365072.db2.gz KFRJQZGWHPKUIA-UHFFFAOYSA-N 1 0 367.497 3.664 20 30 FHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(C#N)s3)CCN2C2CC2)c1 ZINC000180375875 940992496 /nfs/dbraw/zinc/99/24/96/940992496.db2.gz KYFLZURSJZNAKN-WOJBJXKFSA-N 1 0 353.491 3.696 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000472602245 941068719 /nfs/dbraw/zinc/06/87/19/941068719.db2.gz PLSXBZNPMZXUJN-DFQSSKMNSA-N 1 0 353.510 3.719 20 30 FHEDRO CC[C@H](C#N)Oc1cc(CNC2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000180814679 941081234 /nfs/dbraw/zinc/08/12/34/941081234.db2.gz OBLYGFGRVQKQFP-GOSISDBHSA-N 1 0 359.514 3.729 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCc2ccc(OC)cc21)C(C)C ZINC000431830619 941093696 /nfs/dbraw/zinc/09/36/96/941093696.db2.gz KOGOXOYYMVROLG-TZIWHRDSSA-N 1 0 356.510 3.540 20 30 FHEDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000181178765 941112031 /nfs/dbraw/zinc/11/20/31/941112031.db2.gz HNZCBQFGTKHMJN-UHFFFAOYSA-N 1 0 351.450 3.668 20 30 FHEDRO CCN(CCC[NH+](C)C)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000188928452 941131235 /nfs/dbraw/zinc/13/12/35/941131235.db2.gz QFZLCCZTGUBGPK-UHFFFAOYSA-N 1 0 351.450 3.764 20 30 FHEDRO N#Cc1c(F)cccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000188944662 941132865 /nfs/dbraw/zinc/13/28/65/941132865.db2.gz SJATWBFHRMPPOL-UHFFFAOYSA-N 1 0 371.843 3.745 20 30 FHEDRO C[C@H](Nc1ccccc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1)c1cccc(C#N)c1 ZINC001167708720 941153789 /nfs/dbraw/zinc/15/37/89/941153789.db2.gz CJKYINAVGBFVBQ-SNRMKQJTSA-N 1 0 362.477 3.731 20 30 FHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(F)cc2C#N)c1 ZINC000177908618 941153999 /nfs/dbraw/zinc/15/39/99/941153999.db2.gz QJNHJQSLONTRLW-UHFFFAOYSA-N 1 0 354.429 3.602 20 30 FHEDRO CC(C)(CC[NH3+])NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659326252 941164920 /nfs/dbraw/zinc/16/49/20/941164920.db2.gz XFOZHSCBOUYJPJ-UHFFFAOYSA-N 1 0 374.300 3.833 20 30 FHEDRO C=CCC[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000659472604 941291032 /nfs/dbraw/zinc/29/10/32/941291032.db2.gz PMBJLXNNNUJDEP-MNQCNDSGSA-N 1 0 367.415 3.764 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCCO[C@H](CF)C2)c1 ZINC000414475310 941305948 /nfs/dbraw/zinc/30/59/48/941305948.db2.gz GGQZTRRFDYCIDE-OAQYLSRUSA-N 1 0 354.425 3.698 20 30 FHEDRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000180696923 941357493 /nfs/dbraw/zinc/35/74/93/941357493.db2.gz HEFATHFZBJYEAX-UHFFFAOYSA-N 1 0 359.470 3.514 20 30 FHEDRO C=CCN(CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)Cc1ccccc1 ZINC000027776577 941382572 /nfs/dbraw/zinc/38/25/72/941382572.db2.gz PJDWBUOUNRARDA-KRWDZBQOSA-N 1 0 368.477 3.569 20 30 FHEDRO Cc1cc(F)c(C#N)c(NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000892713823 941398803 /nfs/dbraw/zinc/39/88/03/941398803.db2.gz YPFDJRRDKMPQKX-UHFFFAOYSA-N 1 0 353.441 3.575 20 30 FHEDRO Cc1cnn(-c2ccc([C@H](C)[NH2+]C[C@H](O)c3ccc(C#N)cc3)cc2F)c1 ZINC000376834094 941443959 /nfs/dbraw/zinc/44/39/59/941443959.db2.gz VRMWOEFIRXHIMR-BTYIYWSLSA-N 1 0 364.424 3.576 20 30 FHEDRO C[C@H]1C[C@@H](CNC(=O)NCC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000376952168 941475899 /nfs/dbraw/zinc/47/58/99/941475899.db2.gz ZKPVXSYRBFGGAB-HKUYNNGSSA-N 1 0 356.514 3.526 20 30 FHEDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415002472 941535843 /nfs/dbraw/zinc/53/58/43/941535843.db2.gz DPWJEFVKKLHPJY-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415004293 941541024 /nfs/dbraw/zinc/54/10/24/941541024.db2.gz HLELTDMNURSHPK-LJQANCHMSA-N 1 0 364.449 3.860 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000181538482 941541398 /nfs/dbraw/zinc/54/13/98/941541398.db2.gz JPKQOISNDLBLJB-UHFFFAOYSA-N 1 0 364.449 3.828 20 30 FHEDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415005289 941541534 /nfs/dbraw/zinc/54/15/34/941541534.db2.gz JBWGNBOUTHTUEG-UHFFFAOYSA-N 1 0 352.438 3.799 20 30 FHEDRO C[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000415013977 941542250 /nfs/dbraw/zinc/54/22/50/941542250.db2.gz WDEQWFUCDXXITM-UHFFFAOYSA-N 1 0 364.449 3.814 20 30 FHEDRO C[C@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000472680301 941553807 /nfs/dbraw/zinc/55/38/07/941553807.db2.gz YPUXRMFACDQOAY-ROUUACIJSA-N 1 0 364.493 3.829 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1C[NH3+] ZINC000415038974 941559198 /nfs/dbraw/zinc/55/91/98/941559198.db2.gz MTNMYTHVOKQODR-WBVHZDCISA-N 1 0 364.449 3.799 20 30 FHEDRO COc1cc(C#N)ccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164480 941569044 /nfs/dbraw/zinc/56/90/44/941569044.db2.gz GQISCYRSOCKFOV-JOCHJYFZSA-N 1 0 363.505 3.957 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])cc2)cc1 ZINC000415045770 941569397 /nfs/dbraw/zinc/56/93/97/941569397.db2.gz UKXAHYOGEHRMJS-JXFKEZNVSA-N 1 0 364.449 3.990 20 30 FHEDRO Cc1ccc2nc(NC(=O)C[NH2+][C@H](C)c3ccc(C#N)cc3)sc2c1 ZINC000549173484 941581341 /nfs/dbraw/zinc/58/13/41/941581341.db2.gz MEJBVDGDEHFHAC-CYBMUJFWSA-N 1 0 350.447 3.766 20 30 FHEDRO Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000892848116 941611808 /nfs/dbraw/zinc/61/18/08/941611808.db2.gz RYOKZSGGQYUXAX-UHFFFAOYSA-N 1 0 362.477 3.569 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC000415143424 941628661 /nfs/dbraw/zinc/62/86/61/941628661.db2.gz AVAULTBHFMPKPR-YOEHRIQHSA-N 1 0 350.422 3.613 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C[NH3+])C1 ZINC000415145046 941631782 /nfs/dbraw/zinc/63/17/82/941631782.db2.gz DDGCLKRTZLLECT-YJBOKZPZSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415144675 941632269 /nfs/dbraw/zinc/63/22/69/941632269.db2.gz CJXQNGYHLHSEHL-FQEVSTJZSA-N 1 0 350.422 3.553 20 30 FHEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415154473 941636404 /nfs/dbraw/zinc/63/64/04/941636404.db2.gz YAUBCZWXDOSKIZ-HXUWFJFHSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)C[NH2+]1 ZINC000415154515 941636606 /nfs/dbraw/zinc/63/66/06/941636606.db2.gz YBIWQVLXAZVKLS-GJZGRUSLSA-N 1 0 350.422 3.565 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000415155584 941636845 /nfs/dbraw/zinc/63/68/45/941636845.db2.gz FMHGYBQLQIFFFD-GDBMZVCRSA-N 1 0 354.479 3.760 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[NH2+]1 ZINC000415153900 941637072 /nfs/dbraw/zinc/63/70/72/941637072.db2.gz DEZBNPAGRYJPIP-PBHICJAKSA-N 1 0 350.422 3.613 20 30 FHEDRO C=CCCC[C@@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)c1ccccc1 ZINC000892877074 941643268 /nfs/dbraw/zinc/64/32/68/941643268.db2.gz OBCBFAJUSRDTSU-MRXNPFEDSA-N 1 0 370.522 3.767 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415160001 941643291 /nfs/dbraw/zinc/64/32/91/941643291.db2.gz KMYIAWIGKOLQMD-HNAYVOBHSA-N 1 0 358.511 3.688 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000415167927 941645365 /nfs/dbraw/zinc/64/53/65/941645365.db2.gz UJYAPCMDRPCVOG-MRXNPFEDSA-N 1 0 372.538 3.936 20 30 FHEDRO C=CCC[C@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000472744616 941663714 /nfs/dbraw/zinc/66/37/14/941663714.db2.gz CJMULIQZIDJEPT-CVDCTZTESA-N 1 0 367.489 3.978 20 30 FHEDRO N#CCN1CCC([NH2+][C@@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892909762 941674757 /nfs/dbraw/zinc/67/47/57/941674757.db2.gz NUYJDPPMIFXIHS-MAUKXSAKSA-N 1 0 351.416 3.708 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[NH2+]1 ZINC000415235359 941690906 /nfs/dbraw/zinc/69/09/06/941690906.db2.gz CLFUORBWIPBFHE-CZUORRHYSA-N 1 0 368.412 3.752 20 30 FHEDRO N#Cc1cccc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)c1 ZINC000236758455 941774925 /nfs/dbraw/zinc/77/49/25/941774925.db2.gz ANLKKLVLOPAFLB-UHFFFAOYSA-N 1 0 355.235 3.886 20 30 FHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2[nH]cc(C(=O)OC)c2C2CC2)c1 ZINC000892972755 941826997 /nfs/dbraw/zinc/82/69/97/941826997.db2.gz LHWYPSHTANPQQB-INIZCTEOSA-N 1 0 367.449 3.649 20 30 FHEDRO Cc1nnc(CNC(N[C@@H](C)c2ccccc2Cl)=[NH+]C2CCCC2)n1C ZINC000261973943 941833421 /nfs/dbraw/zinc/83/34/21/941833421.db2.gz NHNPPJCHNWOYMB-ZDUSSCGKSA-N 1 0 374.920 3.516 20 30 FHEDRO CC(C)(CCC#N)C[NH+]1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000377623634 941854108 /nfs/dbraw/zinc/85/41/08/941854108.db2.gz FRKYCLMXHYUXFI-UHFFFAOYSA-N 1 0 352.482 3.776 20 30 FHEDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415530739 941881095 /nfs/dbraw/zinc/88/10/95/941881095.db2.gz DCTYJSAJDFDCKJ-HNNXBMFYSA-N 1 0 352.438 3.990 20 30 FHEDRO N#Cc1cc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)ccc1Oc1ccccc1 ZINC000415536102 941889569 /nfs/dbraw/zinc/88/95/69/941889569.db2.gz MPELELXZYNTFPW-GOEBONIOSA-N 1 0 350.422 3.599 20 30 FHEDRO COc1ccc(C[N@@H+]2CCN(C)c3ccccc3C2)cc1OCCCC#N ZINC000513401403 941897205 /nfs/dbraw/zinc/89/72/05/941897205.db2.gz MQRAKCPADNDSII-UHFFFAOYSA-N 1 0 365.477 3.830 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000433819274 941917369 /nfs/dbraw/zinc/91/73/69/941917369.db2.gz IWRISVGIAFATER-HXUWFJFHSA-N 1 0 355.526 3.862 20 30 FHEDRO C=C(C)[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(F)c(F)c1 ZINC000433910401 941980334 /nfs/dbraw/zinc/98/03/34/941980334.db2.gz FLBINSRRSNCRJE-LPHOPBHVSA-N 1 0 363.452 3.898 20 30 FHEDRO CCOc1c(OC)cc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1OC ZINC000728711851 941992455 /nfs/dbraw/zinc/99/24/55/941992455.db2.gz NGEMULJVDIOZGF-OAHLLOKOSA-N 1 0 370.449 3.683 20 30 FHEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000549344804 942020707 /nfs/dbraw/zinc/02/07/07/942020707.db2.gz XKMUQWBPNXJQPO-IBGZPJMESA-N 1 0 353.853 3.930 20 30 FHEDRO CC(C)n1cc(C[N@@H+]2CCCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000377837430 942025822 /nfs/dbraw/zinc/02/58/22/942025822.db2.gz MQMSBTHUHCEAMT-UHFFFAOYSA-N 1 0 374.492 3.596 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415809872 942063606 /nfs/dbraw/zinc/06/36/06/942063606.db2.gz UVQTWIINYNZWDQ-RHSMWYFYSA-N 1 0 366.490 3.958 20 30 FHEDRO Cn1cc([C@@H]2CCN(CC(=O)Nc3sccc3C#N)C2)c2ccccc21 ZINC000377932940 942076052 /nfs/dbraw/zinc/07/60/52/942076052.db2.gz RVKLEGIQXWKQEU-OAHLLOKOSA-N 1 0 364.474 3.539 20 30 FHEDRO Cn1cc([C@H]2CCN(CC(=O)Nc3sccc3C#N)C2)c2ccccc21 ZINC000377932936 942076279 /nfs/dbraw/zinc/07/62/79/942076279.db2.gz RVKLEGIQXWKQEU-HNNXBMFYSA-N 1 0 364.474 3.539 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000513724650 942090450 /nfs/dbraw/zinc/09/04/50/942090450.db2.gz IJYRMUPBMHCKQT-UHFFFAOYSA-N 1 0 358.445 3.992 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460807918 942117292 /nfs/dbraw/zinc/11/72/92/942117292.db2.gz GQHDKKHPZNVPAJ-MSOLQXFVSA-N 1 0 365.525 3.831 20 30 FHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(C#N)cc2)CC1 ZINC000280156966 942119537 /nfs/dbraw/zinc/11/95/37/942119537.db2.gz WSOWXXKSUKMCHV-UHFFFAOYSA-N 1 0 362.477 3.589 20 30 FHEDRO CSc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000030534605 942187347 /nfs/dbraw/zinc/18/73/47/942187347.db2.gz WCBGGBKGZNVUFQ-MAUKXSAKSA-N 1 0 356.491 3.565 20 30 FHEDRO N#Cc1ccc(CN2CCC[N@@H+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC000122824708 942243715 /nfs/dbraw/zinc/24/37/15/942243715.db2.gz VSBHTWHOSROJHU-UHFFFAOYSA-N 1 0 355.869 3.625 20 30 FHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC[C@H]21 ZINC000458809111 942251055 /nfs/dbraw/zinc/25/10/55/942251055.db2.gz ZWKRMNMCPRASDJ-HSALFYBXSA-N 1 0 354.498 3.547 20 30 FHEDRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775722 942342987 /nfs/dbraw/zinc/34/29/87/942342987.db2.gz WJIVOPQFCGBDOI-IFXJQAMLSA-N 1 0 372.875 3.746 20 30 FHEDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775724 942343117 /nfs/dbraw/zinc/34/31/17/942343117.db2.gz WJIVOPQFCGBDOI-LIRRHRJNSA-N 1 0 372.875 3.746 20 30 FHEDRO COc1cc(C#N)ccc1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000501208878 942352461 /nfs/dbraw/zinc/35/24/61/942352461.db2.gz LOVJGXGPIDHQIG-OAQYLSRUSA-N 1 0 350.462 3.829 20 30 FHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502382734 942393007 /nfs/dbraw/zinc/39/30/07/942393007.db2.gz LCIWPBASLIDZPB-UHFFFAOYSA-N 1 0 374.488 3.619 20 30 FHEDRO COCC1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000419826684 942401424 /nfs/dbraw/zinc/40/14/24/942401424.db2.gz WTRJACUUQDZWQY-UHFFFAOYSA-N 1 0 352.482 3.759 20 30 FHEDRO C=CCC1(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CCOCC1 ZINC000424846941 942401474 /nfs/dbraw/zinc/40/14/74/942401474.db2.gz JXHMBRDJRXNFGQ-OAQYLSRUSA-N 1 0 372.553 3.977 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000501376621 942441411 /nfs/dbraw/zinc/44/14/11/942441411.db2.gz LPAUSQJFIACPPX-AWEZNQCLSA-N 1 0 353.304 3.694 20 30 FHEDRO CC[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000505349685 942487092 /nfs/dbraw/zinc/48/70/92/942487092.db2.gz LWPXHARHLJUGLV-SFHVURJKSA-N 1 0 367.880 3.778 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000421339187 942494179 /nfs/dbraw/zinc/49/41/79/942494179.db2.gz FSZCYZYGVLKCEW-HNNXBMFYSA-N 1 0 366.358 3.657 20 30 FHEDRO N#CC1(c2ccc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)cc2)CC1 ZINC000425015065 942501218 /nfs/dbraw/zinc/50/12/18/942501218.db2.gz VAXPUKLRGZIWAK-RBBKRZOGSA-N 1 0 371.484 3.588 20 30 FHEDRO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)c1ccccc1 ZINC000181647587 942588611 /nfs/dbraw/zinc/58/86/11/942588611.db2.gz ZABXTBXWDDNFGJ-OAQYLSRUSA-N 1 0 365.477 3.527 20 30 FHEDRO CCCCCCCCC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000378323412 942589157 /nfs/dbraw/zinc/58/91/57/942589157.db2.gz KHRYXKKBQIOWJV-UHFFFAOYSA-N 1 0 351.579 3.754 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000416291958 942616328 /nfs/dbraw/zinc/61/63/28/942616328.db2.gz PXCBNICMKUJRFQ-UHFFFAOYSA-N 1 0 351.475 3.533 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420421765 942659336 /nfs/dbraw/zinc/65/93/36/942659336.db2.gz YTCYDAVNXXZUIJ-IBGZPJMESA-N 1 0 367.518 3.550 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000501779999 942669967 /nfs/dbraw/zinc/66/99/67/942669967.db2.gz YVTLIBUFJXHKSQ-UHFFFAOYSA-N 1 0 363.505 3.833 20 30 FHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000509540963 942687760 /nfs/dbraw/zinc/68/77/60/942687760.db2.gz KIQSYHLNSHUOBH-KRWDZBQOSA-N 1 0 359.901 3.796 20 30 FHEDRO Cn1cc(-c2ccccc2CNC(=[NH2+])Nc2cccc3c2CCCC3)cn1 ZINC000261918700 942734297 /nfs/dbraw/zinc/73/42/97/942734297.db2.gz YNIPWFVJSCQQOV-UHFFFAOYSA-N 1 0 359.477 3.893 20 30 FHEDRO C=CCN(C(=O)N[C@H](C)c1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363821194 942753517 /nfs/dbraw/zinc/75/35/17/942753517.db2.gz LTXDIMRUTPGNRF-NQIIRXRSSA-N 1 0 364.493 3.615 20 30 FHEDRO C=CCCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001269809834 942761969 /nfs/dbraw/zinc/76/19/69/942761969.db2.gz OZLOJGJHRANFEK-VQTJNVASSA-N 1 0 358.530 3.749 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)C12CCCCC2 ZINC000502827369 942781689 /nfs/dbraw/zinc/78/16/89/942781689.db2.gz NCPPXJABAMXUAE-HZPDHXFCSA-N 1 0 361.511 3.666 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCCCOCCc2ccccc2)O1 ZINC000378452273 942786125 /nfs/dbraw/zinc/78/61/25/942786125.db2.gz LFKJRTATDGCFAF-GXRSIYKFSA-N 1 0 356.510 3.855 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C12CCCCC2 ZINC000502858508 942801816 /nfs/dbraw/zinc/80/18/16/942801816.db2.gz VUQNPGMVPYYGIS-ZWKOTPCHSA-N 1 0 366.465 3.826 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000378464332 942802007 /nfs/dbraw/zinc/80/20/07/942802007.db2.gz CERNCITTZKXFKH-JOCHJYFZSA-N 1 0 366.461 3.703 20 30 FHEDRO CC1CC[NH+](CC2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000378479503 942809035 /nfs/dbraw/zinc/80/90/35/942809035.db2.gz WGSYMTMXCJKEAE-UHFFFAOYSA-N 1 0 365.521 3.826 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000514231378 942843228 /nfs/dbraw/zinc/84/32/28/942843228.db2.gz WZAHPISQDHTTSU-UHFFFAOYSA-N 1 0 365.880 3.675 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425131583 942855975 /nfs/dbraw/zinc/85/59/75/942855975.db2.gz PZWXUXWIRGIPKE-XMSQKQJNSA-N 1 0 361.489 3.990 20 30 FHEDRO Cc1ccccc1[C@@]1(F)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945127 942862393 /nfs/dbraw/zinc/86/23/93/942862393.db2.gz VPVZBYROWIDHSR-RBBKRZOGSA-N 1 0 363.436 3.543 20 30 FHEDRO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCc2ccccc2C1 ZINC000434713046 942875666 /nfs/dbraw/zinc/87/56/66/942875666.db2.gz FPPVDVUNUCFJQO-IBGZPJMESA-N 1 0 365.477 3.976 20 30 FHEDRO C=CCOc1ccc(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)cc1 ZINC000430098393 942910276 /nfs/dbraw/zinc/91/02/76/942910276.db2.gz IVXNSKKWQZPDFY-UHFFFAOYSA-N 1 0 354.425 3.654 20 30 FHEDRO C=CCOc1ccc(C[N@H+](CC2(CS(C)(=O)=O)CC2)C(C)(C)C)cc1 ZINC000503051088 942926040 /nfs/dbraw/zinc/92/60/40/942926040.db2.gz GBMTXGVATONPGE-UHFFFAOYSA-N 1 0 365.539 3.677 20 30 FHEDRO CCc1ccc([C@@H]([NH2+]CCCC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000273303103 942927908 /nfs/dbraw/zinc/92/79/08/942927908.db2.gz VCRJLZICSKLOCD-HXUWFJFHSA-N 1 0 356.491 3.635 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000473002672 942970183 /nfs/dbraw/zinc/97/01/83/942970183.db2.gz QSBOZEWROCQSLC-AZUAARDMSA-N 1 0 355.526 3.690 20 30 FHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(OCC#N)cc3)ccc2NC1=O ZINC000271702657 943037956 /nfs/dbraw/zinc/03/79/56/943037956.db2.gz HVGICGBVNQKULK-KUHUBIRLSA-N 1 0 365.433 3.549 20 30 FHEDRO CCOc1ccc(C[N@H+](CCCSCC#N)CCCn2ccnc2)cc1 ZINC000271746894 943044830 /nfs/dbraw/zinc/04/48/30/943044830.db2.gz XQUJJFOZXACQDK-UHFFFAOYSA-N 1 0 372.538 3.821 20 30 FHEDRO COCC[N@H+](C)CC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000505576164 943054760 /nfs/dbraw/zinc/05/47/60/943054760.db2.gz GYFWANVTQXRFPV-SFHVURJKSA-N 1 0 368.437 3.588 20 30 FHEDRO N#Cc1c2c(cnc1N1CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)CCC2 ZINC000425249012 943058869 /nfs/dbraw/zinc/05/88/69/943058869.db2.gz BLEFKNOLIJAGQE-HSZRJFAPSA-N 1 0 358.489 3.544 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCCCC[NH+]1CCCC1 ZINC000416724486 943063897 /nfs/dbraw/zinc/06/38/97/943063897.db2.gz NGOSXCBJUWIMKA-FQEVSTJZSA-N 1 0 354.498 3.501 20 30 FHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C1(CC)CC ZINC000434984707 943085665 /nfs/dbraw/zinc/08/56/65/943085665.db2.gz BRTXDGWFCDKKBK-HZPDHXFCSA-N 1 0 363.527 3.864 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000434995980 943093150 /nfs/dbraw/zinc/09/31/50/943093150.db2.gz RAFZAVDBNJPEQX-KRWDZBQOSA-N 1 0 353.510 3.607 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000503290548 943107560 /nfs/dbraw/zinc/10/75/60/943107560.db2.gz KRMHOQCYNCAQNW-GOSISDBHSA-N 1 0 362.267 3.837 20 30 FHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)CC1 ZINC000435028034 943111299 /nfs/dbraw/zinc/11/12/99/943111299.db2.gz HIPBHACTVJDROZ-FQEVSTJZSA-N 1 0 365.521 3.560 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c(C#N)c1C ZINC000503368369 943143829 /nfs/dbraw/zinc/14/38/29/943143829.db2.gz CNJUJDFIKZZBHK-WYRIXSBYSA-N 1 0 357.841 3.885 20 30 FHEDRO C=CCC[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000435096037 943161075 /nfs/dbraw/zinc/16/10/75/943161075.db2.gz UKARKIXPPXTHBJ-HXUWFJFHSA-N 1 0 371.525 3.638 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccc(Cl)s1)C(C)C ZINC000503403155 943163427 /nfs/dbraw/zinc/16/34/27/943163427.db2.gz CGSAKZLORHEAGM-HNNXBMFYSA-N 1 0 355.935 3.899 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000503413027 943170308 /nfs/dbraw/zinc/17/03/08/943170308.db2.gz RALGKNKCMSENLX-PXNSSMCTSA-N 1 0 354.498 3.617 20 30 FHEDRO C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505606776 943176377 /nfs/dbraw/zinc/17/63/77/943176377.db2.gz GQHUAWYWADEVMR-YWZLYKJASA-N 1 0 365.452 3.537 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000503438549 943184766 /nfs/dbraw/zinc/18/47/66/943184766.db2.gz PIEVLGWIVVCJMM-SFHVURJKSA-N 1 0 360.458 3.723 20 30 FHEDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435132548 943185544 /nfs/dbraw/zinc/18/55/44/943185544.db2.gz KBYULEJUEACJJV-RBUKOAKNSA-N 1 0 369.538 3.965 20 30 FHEDRO COCC[N@H+](C)CC[C@H](Nc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000505615328 943194278 /nfs/dbraw/zinc/19/42/78/943194278.db2.gz TUKKJWFZYZFLMN-SFHVURJKSA-N 1 0 358.873 3.728 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000435158354 943198798 /nfs/dbraw/zinc/19/87/98/943198798.db2.gz JTTMNHBQEWEFSY-HNAYVOBHSA-N 1 0 366.440 3.729 20 30 FHEDRO C=CCOc1ccc(CC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC001269372857 943218194 /nfs/dbraw/zinc/21/81/94/943218194.db2.gz FHNZPCBBGYUTLK-FDDCHVKYSA-N 1 0 366.505 3.910 20 30 FHEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000584586916 943273532 /nfs/dbraw/zinc/27/35/32/943273532.db2.gz OUNRVVHIDYWBLQ-MRXNPFEDSA-N 1 0 361.493 3.865 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000435263196 943288182 /nfs/dbraw/zinc/28/81/82/943288182.db2.gz OUZCFIRQHABINU-XMSQKQJNSA-N 1 0 373.500 3.759 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000505660697 943323170 /nfs/dbraw/zinc/32/31/70/943323170.db2.gz MNCVKZRMSWAPTQ-JKSUJKDBSA-N 1 0 358.486 3.587 20 30 FHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431918805 943333460 /nfs/dbraw/zinc/33/34/60/943333460.db2.gz MCCOZRUZRGJHGV-QWFCFKBJSA-N 1 0 356.514 3.984 20 30 FHEDRO CC(C)[C@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000503765062 943362680 /nfs/dbraw/zinc/36/26/80/943362680.db2.gz MIOVRJUNJYGIJF-NHCUHLMSSA-N 1 0 370.541 3.846 20 30 FHEDRO CCc1cccc[n+]1[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000364034344 943373925 /nfs/dbraw/zinc/37/39/25/943373925.db2.gz XNWCNVUWRVKVFX-KRWDZBQOSA-N 1 0 360.275 3.585 20 30 FHEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)C1 ZINC000514908450 943378549 /nfs/dbraw/zinc/37/85/49/943378549.db2.gz BESBZNUCIJXUOJ-RXVVDRJESA-N 1 0 357.461 3.775 20 30 FHEDRO C=CCOc1ccc(CN(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433618 943396977 /nfs/dbraw/zinc/39/69/77/943396977.db2.gz SYRIHIIBFVOZJL-IBGZPJMESA-N 1 0 369.534 3.852 20 30 FHEDRO C=CCOc1ccc(CN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423105515 943401233 /nfs/dbraw/zinc/40/12/33/943401233.db2.gz NREQQFBGTRQUMZ-FGZHOGPDSA-N 1 0 352.478 3.843 20 30 FHEDRO CC(C)CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)c1ccc(C#N)cc1 ZINC000566437196 943412205 /nfs/dbraw/zinc/41/22/05/943412205.db2.gz XMPXKEUQWAQNOW-FQEVSTJZSA-N 1 0 371.550 3.765 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613733003 943412930 /nfs/dbraw/zinc/41/29/30/943412930.db2.gz JQDMQYXEQXNYJR-HKUYNNGSSA-N 1 0 351.494 3.936 20 30 FHEDRO C=CCOC(=O)[C@@H](Nc1ccc2c(c1)C1(CC2)CC[NH2+]CC1)[C@@H](C)CC ZINC001167959434 943485836 /nfs/dbraw/zinc/48/58/36/943485836.db2.gz FXKZXIQOSOJASI-JXFKEZNVSA-N 1 0 356.510 3.810 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCC[N@H+](C)Cc2ccccc2)cc1C#N ZINC000435559487 943498963 /nfs/dbraw/zinc/49/89/63/943498963.db2.gz YQCPNFSEWJMPEB-UHFFFAOYSA-N 1 0 366.465 3.599 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000435728657 943572103 /nfs/dbraw/zinc/57/21/03/943572103.db2.gz OTHPJRVLCJBSOG-KSSFIOAISA-N 1 0 358.463 3.610 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000435748027 943582683 /nfs/dbraw/zinc/58/26/83/943582683.db2.gz MGCUDLZEROVWKR-SJCJKPOMSA-N 1 0 370.287 3.537 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000435748028 943582926 /nfs/dbraw/zinc/58/29/26/943582926.db2.gz MGCUDLZEROVWKR-SJKOYZFVSA-N 1 0 370.287 3.537 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000435738601 943590208 /nfs/dbraw/zinc/59/02/08/943590208.db2.gz BHMAAQRKALTQBI-YWZLYKJASA-N 1 0 361.436 3.838 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)cc1OCc1cccnc1 ZINC000435739998 943590726 /nfs/dbraw/zinc/59/07/26/943590726.db2.gz ICOMOUNDFQKXHU-DENIHFKCSA-N 1 0 368.477 3.740 20 30 FHEDRO N#Cc1cc(NCC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000183972015 943608809 /nfs/dbraw/zinc/60/88/09/943608809.db2.gz NASKYWFVCFPAGG-UHFFFAOYSA-N 1 0 350.422 3.791 20 30 FHEDRO N#Cc1c(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cn2ccccc12 ZINC000511628981 943619819 /nfs/dbraw/zinc/61/98/19/943619819.db2.gz ZLUARLIMQRDJMR-GIWBLDEGSA-N 1 0 357.457 3.815 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000424062476 943716283 /nfs/dbraw/zinc/71/62/83/943716283.db2.gz LAFMPQITBYLCNB-QGZVFWFLSA-N 1 0 373.403 3.838 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000424105221 943720199 /nfs/dbraw/zinc/72/01/99/943720199.db2.gz VDEAZLWXCNSFQE-MOPGFXCFSA-N 1 0 355.869 3.761 20 30 FHEDRO Cc1csc(Sc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)c(C)c2)n1 ZINC000424113940 943738541 /nfs/dbraw/zinc/73/85/41/943738541.db2.gz PEGPBPIHXIGUHT-AWEZNQCLSA-N 1 0 360.508 3.871 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424121429 943742211 /nfs/dbraw/zinc/74/22/11/943742211.db2.gz GAJSBOTVKIHOKL-CZUORRHYSA-N 1 0 356.495 3.625 20 30 FHEDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424121643 943742977 /nfs/dbraw/zinc/74/29/77/943742977.db2.gz ILXDGTZJQFVXAG-JKSUJKDBSA-N 1 0 351.878 3.573 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC000424128435 943746153 /nfs/dbraw/zinc/74/61/53/943746153.db2.gz RCHXXJGZFYTHAG-LJQANCHMSA-N 1 0 371.481 3.972 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000424178860 943762262 /nfs/dbraw/zinc/76/22/62/943762262.db2.gz XCNNCGFXCUJAGX-RXVVDRJESA-N 1 0 351.494 3.906 20 30 FHEDRO CN(c1ccccc1)c1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cn1 ZINC000435783765 943767988 /nfs/dbraw/zinc/76/79/88/943767988.db2.gz XPKXTDFVIVQVMH-UHFFFAOYSA-N 1 0 358.445 3.890 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000424170327 943772451 /nfs/dbraw/zinc/77/24/51/943772451.db2.gz JFTYAZXAWXMOOB-UWJYYQICSA-N 1 0 360.461 3.615 20 30 FHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000424234954 943799280 /nfs/dbraw/zinc/79/92/80/943799280.db2.gz DWGRXGWZZOMGBF-IRXDYDNUSA-N 1 0 363.575 3.590 20 30 FHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000424234951 943799634 /nfs/dbraw/zinc/79/96/34/943799634.db2.gz DWGRXGWZZOMGBF-IAGOWNOFSA-N 1 0 363.575 3.590 20 30 FHEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000424290962 943822044 /nfs/dbraw/zinc/82/20/44/943822044.db2.gz CWRBVIFBRBEIFJ-IRXDYDNUSA-N 1 0 350.388 3.909 20 30 FHEDRO CC1(C#N)CC[NH+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000506051391 943830890 /nfs/dbraw/zinc/83/08/90/943830890.db2.gz KFUFXEITCVWADE-GOSISDBHSA-N 1 0 366.461 3.844 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000425412714 943838996 /nfs/dbraw/zinc/83/89/96/943838996.db2.gz FYQXSGRNHOOPED-MSOLQXFVSA-N 1 0 356.514 3.773 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(I)c1 ZINC000424315602 943839624 /nfs/dbraw/zinc/83/96/24/943839624.db2.gz AGSTWERYAPHWCA-JFGNBEQYSA-N 1 0 358.198 3.773 20 30 FHEDRO N#CCCC1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000515381246 943844124 /nfs/dbraw/zinc/84/41/24/943844124.db2.gz BVBKHVTZOZKEGM-HXUWFJFHSA-N 1 0 350.466 3.565 20 30 FHEDRO CSc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000515415912 943862967 /nfs/dbraw/zinc/86/29/67/943862967.db2.gz ZDWDUGWHNJFIGY-DYESRHJHSA-N 1 0 368.502 3.687 20 30 FHEDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C1 ZINC000414906758 943865522 /nfs/dbraw/zinc/86/55/22/943865522.db2.gz PPUCEHSFCGKMQB-SJLPKXTDSA-N 1 0 368.868 3.821 20 30 FHEDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCCC(C)(C)C#N)CC2)cs1 ZINC000437515866 943875055 /nfs/dbraw/zinc/87/50/55/943875055.db2.gz NYGBVRNFWISVKP-INIZCTEOSA-N 1 0 364.559 3.688 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000515507663 943941143 /nfs/dbraw/zinc/94/11/43/943941143.db2.gz ISRVJKDQNAWGDD-OXHZDVMGSA-N 1 0 359.495 3.516 20 30 FHEDRO C=CCC[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000417908461 943945140 /nfs/dbraw/zinc/94/51/40/943945140.db2.gz BNGAYLLGAFAHNS-CVEARBPZSA-N 1 0 355.404 3.764 20 30 FHEDRO C=CCCO[C@@H](C)C(=O)N(CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000505001258 943954062 /nfs/dbraw/zinc/95/40/62/943954062.db2.gz QQEBLKLEGZVGRV-FPOVZHCZSA-N 1 0 358.526 3.871 20 30 FHEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@H](CC)c2ccc(Br)cc2)C1=O ZINC000500017302 943955901 /nfs/dbraw/zinc/95/59/01/943955901.db2.gz UHWGZJLORHMRLQ-HZPDHXFCSA-N 1 0 351.288 3.619 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc3c(ccc(F)c3F)s2)CC1 ZINC000500018577 943957112 /nfs/dbraw/zinc/95/71/12/943957112.db2.gz UQMBUICYHKZNQE-UHFFFAOYSA-N 1 0 366.437 3.737 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000437605155 943962164 /nfs/dbraw/zinc/96/21/64/943962164.db2.gz RIVAWPNEYCHAAO-PGRDOPGGSA-N 1 0 358.526 3.764 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000425450769 943966068 /nfs/dbraw/zinc/96/60/68/943966068.db2.gz LGKPYEZXOVRZCQ-UZLBHIALSA-N 1 0 356.514 3.771 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000417931443 943971829 /nfs/dbraw/zinc/97/18/29/943971829.db2.gz LFLKUUKIBGQJRB-MRXNPFEDSA-N 1 0 355.404 3.845 20 30 FHEDRO C=CCn1c(-c2ccc3ccccc3c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000515559742 944011004 /nfs/dbraw/zinc/01/10/04/944011004.db2.gz VAWXNPRNUDVNLA-OAQYLSRUSA-N 1 0 373.504 3.957 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000436100172 944014444 /nfs/dbraw/zinc/01/44/44/944014444.db2.gz JFZARARQMWHAMX-UPJWGTAASA-N 1 0 369.387 3.699 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425464853 944015004 /nfs/dbraw/zinc/01/50/04/944015004.db2.gz AFIUOHHEQLGTJV-XLIONFOSSA-N 1 0 356.514 3.771 20 30 FHEDRO C[C@H](C[NH3+])CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414910967 944022905 /nfs/dbraw/zinc/02/29/05/944022905.db2.gz SJVKYDXRGOESMH-DYVFJYSZSA-N 1 0 356.857 3.712 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000436094938 944026295 /nfs/dbraw/zinc/02/62/95/944026295.db2.gz YCZDTIYERXTJFM-INIZCTEOSA-N 1 0 365.355 3.511 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C(C)C)C[C@H]1C ZINC000566544494 944030046 /nfs/dbraw/zinc/03/00/46/944030046.db2.gz RIGAVRSTBXIUEW-APWZRJJASA-N 1 0 366.513 3.707 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000417980124 944033675 /nfs/dbraw/zinc/03/36/75/944033675.db2.gz IECWMRHMMMMQAD-HXUWFJFHSA-N 1 0 362.477 3.557 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425468454 944035292 /nfs/dbraw/zinc/03/52/92/944035292.db2.gz DRJNQIXQFVSIPX-XWTMOSNGSA-N 1 0 356.514 3.627 20 30 FHEDRO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000424686113 944046908 /nfs/dbraw/zinc/04/69/08/944046908.db2.gz ULCXJTWMOMSMDZ-FPOVZHCZSA-N 1 0 370.537 3.871 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417999682 944048118 /nfs/dbraw/zinc/04/81/18/944048118.db2.gz VCPQQQQDZAXFSR-CKJXQJPGSA-N 1 0 362.477 3.665 20 30 FHEDRO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417994165 944052096 /nfs/dbraw/zinc/05/20/96/944052096.db2.gz ORVPKBHQQADUFX-SCLBCKFNSA-N 1 0 372.419 3.568 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CCOCC1 ZINC000424694243 944052810 /nfs/dbraw/zinc/05/28/10/944052810.db2.gz YRVVQRNXCMPCNV-UHFFFAOYSA-N 1 0 355.482 3.514 20 30 FHEDRO C[NH2+][C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000418003981 944057409 /nfs/dbraw/zinc/05/74/09/944057409.db2.gz ZGGIICAFRWTASB-IERDGZPVSA-N 1 0 362.477 3.680 20 30 FHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000515637909 944071752 /nfs/dbraw/zinc/07/17/52/944071752.db2.gz IPRCJISPKOGHQP-SAABIXHNSA-N 1 0 374.893 3.521 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](C[NH3+])C2)cc1Cl ZINC000414913076 944083794 /nfs/dbraw/zinc/08/37/94/944083794.db2.gz VSAONMBKWZAFKN-KDOFPFPSSA-N 1 0 368.868 3.808 20 30 FHEDRO C[NH+](C)C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000500102687 944099669 /nfs/dbraw/zinc/09/96/69/944099669.db2.gz OTLGJEWWBFKLQZ-PMACEKPBSA-N 1 0 368.456 3.773 20 30 FHEDRO N#Cc1ccc(C[NH2+]CCN2CCc3sccc3C2)c(C(F)(F)F)c1 ZINC000517204781 944103572 /nfs/dbraw/zinc/10/35/72/944103572.db2.gz DQLDHKLMXYWPNI-UHFFFAOYSA-N 1 0 365.424 3.786 20 30 FHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000500107521 944111058 /nfs/dbraw/zinc/11/10/58/944111058.db2.gz CJEPOZTUURMSAJ-OAQYLSRUSA-N 1 0 362.477 3.557 20 30 FHEDRO C=CCC1(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000424801366 944127126 /nfs/dbraw/zinc/12/71/26/944127126.db2.gz WGXIBRQJJSGXTQ-NRFANRHFSA-N 1 0 356.510 3.530 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]([NH3+])C2CC2)cc1Cl ZINC000414915785 944183451 /nfs/dbraw/zinc/18/34/51/944183451.db2.gz ZVIKQBUXYQTRAY-MJGOQNOKSA-N 1 0 368.868 3.854 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000436304662 944187180 /nfs/dbraw/zinc/18/71/80/944187180.db2.gz YMLYRSLTASOZFD-VCBZYWHSSA-N 1 0 350.890 3.936 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCN(CC(F)F)C3)c2)c1 ZINC000418134680 944189048 /nfs/dbraw/zinc/18/90/48/944189048.db2.gz NRYNLYANRVKLHZ-LJQANCHMSA-N 1 0 371.431 3.566 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000418131702 944194056 /nfs/dbraw/zinc/19/40/56/944194056.db2.gz IEGLCIVABFZOFM-IBGZPJMESA-N 1 0 371.431 3.566 20 30 FHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000515769824 944194582 /nfs/dbraw/zinc/19/45/82/944194582.db2.gz KAJLOYJEOCKJMF-KRWDZBQOSA-N 1 0 356.857 3.506 20 30 FHEDRO CC(C)[N@@H+]1CCc2nc(CN[C@H]3CCCc4cc(C#N)ccc43)sc2C1 ZINC000418143212 944206033 /nfs/dbraw/zinc/20/60/33/944206033.db2.gz ICVAMXUXEOFJFO-SFHVURJKSA-N 1 0 366.534 3.948 20 30 FHEDRO C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000418150066 944211900 /nfs/dbraw/zinc/21/19/00/944211900.db2.gz VUMKDHHBWOEGKD-YCRPNKLZSA-N 1 0 368.502 3.732 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000517342190 944220474 /nfs/dbraw/zinc/22/04/74/944220474.db2.gz YOHZBEDGMCHSCX-UHFFFAOYSA-N 1 0 356.297 3.785 20 30 FHEDRO N#CCCC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000517366014 944247515 /nfs/dbraw/zinc/24/75/15/944247515.db2.gz STLYOPSVASEIGG-UHFFFAOYSA-N 1 0 364.287 3.793 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000425533090 944262014 /nfs/dbraw/zinc/26/20/14/944262014.db2.gz KFSPSHQZVQPQCB-AUSIDOKSSA-N 1 0 363.505 3.842 20 30 FHEDRO Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)c2cc1C ZINC000425533061 944262380 /nfs/dbraw/zinc/26/23/80/944262380.db2.gz KCOGQXFJOWSEIK-YLJYHZDGSA-N 1 0 362.477 3.579 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418207831 944267326 /nfs/dbraw/zinc/26/73/26/944267326.db2.gz CHDZCCJOLPLZLG-PCCBWWKXSA-N 1 0 368.525 3.985 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2c[nH]c3c2cccc3CC)CC1 ZINC000111495922 944274928 /nfs/dbraw/zinc/27/49/28/944274928.db2.gz WYDBIDXXLNDBSL-UHFFFAOYSA-N 1 0 368.525 3.613 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)CC(=O)N1CCSc2ccccc21 ZINC000425540526 944283693 /nfs/dbraw/zinc/28/36/93/944283693.db2.gz OGMOFEAHXCGLHY-OAHLLOKOSA-N 1 0 351.475 3.690 20 30 FHEDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000438027691 944295521 /nfs/dbraw/zinc/29/55/21/944295521.db2.gz BBLDTLDYMYZOLW-OAHLLOKOSA-N 1 0 352.438 3.812 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000506484599 944343780 /nfs/dbraw/zinc/34/37/80/944343780.db2.gz YSNGOSVEUBHEAM-RTBURBONSA-N 1 0 350.510 3.897 20 30 FHEDRO C=CCC1(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CCOCC1 ZINC000425565874 944351406 /nfs/dbraw/zinc/35/14/06/944351406.db2.gz WSBHHQFYOSRARO-FQEVSTJZSA-N 1 0 358.526 3.632 20 30 FHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000517528726 944375935 /nfs/dbraw/zinc/37/59/35/944375935.db2.gz FVEUVAUOOUETJF-HZPDHXFCSA-N 1 0 360.527 3.933 20 30 FHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccc(OC)c2F)ccc1OC ZINC000192683091 944379878 /nfs/dbraw/zinc/37/98/78/944379878.db2.gz YEPZVFQIFLERTQ-INIZCTEOSA-N 1 0 358.413 3.814 20 30 FHEDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1cccc(C#N)c1 ZINC000709391648 944409573 /nfs/dbraw/zinc/40/95/73/944409573.db2.gz QLIYBMHEUBYDQH-WQCNXYOZSA-N 1 0 355.482 3.997 20 30 FHEDRO N#Cc1ccc(CCC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000515997790 944418511 /nfs/dbraw/zinc/41/85/11/944418511.db2.gz BUHHNEKTQXIKMW-UHFFFAOYSA-N 1 0 353.510 3.605 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001126465634 944451307 /nfs/dbraw/zinc/45/13/07/944451307.db2.gz BEFJVCWKMREPAM-SFHVURJKSA-N 1 0 350.422 3.557 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3c(Cl)c(Cl)ccc3C2)CC1 ZINC000518532249 944462953 /nfs/dbraw/zinc/46/29/53/944462953.db2.gz GPPNXRFSDITPRV-UHFFFAOYSA-N 1 0 368.308 3.712 20 30 FHEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000425975686 944475302 /nfs/dbraw/zinc/47/53/02/944475302.db2.gz FVESSBBYLXORNX-LJQANCHMSA-N 1 0 369.440 3.947 20 30 FHEDRO CC[C@@](C)(O)C[N@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000439253423 944486060 /nfs/dbraw/zinc/48/60/60/944486060.db2.gz AJAWOZKQFSAMFQ-JOCHJYFZSA-N 1 0 368.477 3.609 20 30 FHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000517663768 944488342 /nfs/dbraw/zinc/48/83/42/944488342.db2.gz JVHODTNHBGPIHK-LJQANCHMSA-N 1 0 363.461 3.759 20 30 FHEDRO CC1(C)CC2(CC([NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)C2)CO1 ZINC000925679256 944493948 /nfs/dbraw/zinc/49/39/48/944493948.db2.gz ZNHFHFVGLMVYJD-UHFFFAOYSA-N 1 0 355.482 3.581 20 30 FHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438317827 944504716 /nfs/dbraw/zinc/50/47/16/944504716.db2.gz BYGAJBKIPBFTFR-LJQANCHMSA-N 1 0 359.514 3.817 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000516154160 944542036 /nfs/dbraw/zinc/54/20/36/944542036.db2.gz GLLNUZAFNUTYRG-PGRDOPGGSA-N 1 0 373.541 3.903 20 30 FHEDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000425612561 944548395 /nfs/dbraw/zinc/54/83/95/944548395.db2.gz UTEFJTXXCGKAKS-PCCBWWKXSA-N 1 0 359.473 3.571 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000505870086 944561067 /nfs/dbraw/zinc/56/10/67/944561067.db2.gz SSJZGIPVPWYBQS-UHFFFAOYSA-N 1 0 372.557 3.601 20 30 FHEDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)CSc1ccc(C#N)cc1 ZINC000425619723 944573059 /nfs/dbraw/zinc/57/30/59/944573059.db2.gz HBWGFEGUWMVIKE-SFHVURJKSA-N 1 0 365.502 3.560 20 30 FHEDRO Cc1cccc2oc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc21 ZINC001125941897 944588132 /nfs/dbraw/zinc/58/81/32/944588132.db2.gz MAGJJDZWPPQSPL-UHFFFAOYSA-N 1 0 361.445 3.817 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(Cl)c1 ZINC000439426533 944597135 /nfs/dbraw/zinc/59/71/35/944597135.db2.gz WFORBAYPSMMGSI-UHFFFAOYSA-N 1 0 351.841 3.634 20 30 FHEDRO CN(Cc1ccc(C#N)cc1Cl)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000439434365 944611409 /nfs/dbraw/zinc/61/14/09/944611409.db2.gz BYBLAFUPVJNVOM-ICSRJNTNSA-N 1 0 354.885 3.731 20 30 FHEDRO CN(Cc1ccc(C#N)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000439457114 944624011 /nfs/dbraw/zinc/62/40/11/944624011.db2.gz PXBNCSUFHXLVFG-UHFFFAOYSA-N 1 0 368.912 3.746 20 30 FHEDRO COc1c(C)cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000506246144 944660622 /nfs/dbraw/zinc/66/06/22/944660622.db2.gz MCOYMFHZGFXRFY-UHFFFAOYSA-N 1 0 363.505 3.892 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000517815527 944661824 /nfs/dbraw/zinc/66/18/24/944661824.db2.gz WPWDZPMQNOZOOE-UHFFFAOYSA-N 1 0 367.280 3.782 20 30 FHEDRO C=CCc1cc(OCC)cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1O ZINC000162735583 944689121 /nfs/dbraw/zinc/68/91/21/944689121.db2.gz JXVFNOIQHILLOX-IBGZPJMESA-N 1 0 355.482 3.762 20 30 FHEDRO C=CCOc1ccccc1CNC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390678682 944693193 /nfs/dbraw/zinc/69/31/93/944693193.db2.gz VBSWZKJXDMSZRC-JOCHJYFZSA-N 1 0 366.505 3.632 20 30 FHEDRO C=CC[C@H](CC)NC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000439499663 944705188 /nfs/dbraw/zinc/70/51/88/944705188.db2.gz KYQFHMPIGVQKTP-KRWDZBQOSA-N 1 0 372.513 3.977 20 30 FHEDRO N#Cc1ccnc(N2CC[NH+](CCSc3ccc(Cl)cc3)CC2)c1 ZINC000506898489 944714567 /nfs/dbraw/zinc/71/45/67/944714567.db2.gz PTFIJABZPKBMRN-UHFFFAOYSA-N 1 0 358.898 3.521 20 30 FHEDRO N#Cc1cccc(OCC[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000517839465 944722942 /nfs/dbraw/zinc/72/29/42/944722942.db2.gz ZNIQULFCHFBZNK-UHFFFAOYSA-N 1 0 350.462 3.987 20 30 FHEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000506273333 944748921 /nfs/dbraw/zinc/74/89/21/944748921.db2.gz PLKHMKCZVBEKMT-UHFFFAOYSA-N 1 0 369.896 3.928 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000425651626 944799740 /nfs/dbraw/zinc/79/97/40/944799740.db2.gz YIADERWBGSXPTQ-YWZLYKJASA-N 1 0 368.456 3.703 20 30 FHEDRO N#Cc1ccccc1OC1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000517925393 944843723 /nfs/dbraw/zinc/84/37/23/944843723.db2.gz IAWRHEIGPPDDMM-NYLDSWQDSA-N 1 0 368.452 3.581 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)C2(c3ccc(OCC(C)C)cc3)CCC2)CC1 ZINC000518849996 944844681 /nfs/dbraw/zinc/84/46/81/944844681.db2.gz KESLKPIHFFYBRY-UHFFFAOYSA-N 1 0 370.537 3.910 20 30 FHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438633304 944867153 /nfs/dbraw/zinc/86/71/53/944867153.db2.gz NINHPDOKDBRBEC-HNNXBMFYSA-N 1 0 368.403 3.963 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)ccc1C#N ZINC000500426804 944880139 /nfs/dbraw/zinc/88/01/39/944880139.db2.gz GWMKZTYBBJGJDU-INIZCTEOSA-N 1 0 373.250 3.943 20 30 FHEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438655830 944884880 /nfs/dbraw/zinc/88/48/80/944884880.db2.gz LSUMFPOYVGDCTH-MRXNPFEDSA-N 1 0 368.412 3.705 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000431987925 944897569 /nfs/dbraw/zinc/89/75/69/944897569.db2.gz RTVGZPDLVKENGK-LEWJYISDSA-N 1 0 368.525 3.985 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NC(C)(C)c2cc(Cl)ccc2OC)CC1 ZINC000425686858 944922135 /nfs/dbraw/zinc/92/21/35/944922135.db2.gz WTTYKJXUZMGDQS-UHFFFAOYSA-N 1 0 365.905 3.533 20 30 FHEDRO C=CCOc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000505937584 944944694 /nfs/dbraw/zinc/94/46/94/944944694.db2.gz YSFPCYSZNLKTQB-RBUKOAKNSA-N 1 0 356.510 3.978 20 30 FHEDRO N#Cc1ccc(CSCC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000437843027 944946992 /nfs/dbraw/zinc/94/69/92/944946992.db2.gz MOKQJWGDXBXIPZ-HXUWFJFHSA-N 1 0 371.550 3.705 20 30 FHEDRO C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000120751586 944971236 /nfs/dbraw/zinc/97/12/36/944971236.db2.gz LLSNJRXPRYUVAJ-ZDSQJECRSA-N 1 0 374.488 3.570 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NCC(C)(C)CCCc2ccccc2)CC1 ZINC000506683617 944979144 /nfs/dbraw/zinc/97/91/44/944979144.db2.gz ZZFPBKPMGKJTSU-UHFFFAOYSA-N 1 0 357.542 3.985 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@]2(c3cccc(C)c3)C[C@H]2CC)CC1 ZINC000507185192 945015136 /nfs/dbraw/zinc/01/51/36/945015136.db2.gz YSFJVFRLEIYOEC-GCJKJVERSA-N 1 0 355.526 3.960 20 30 FHEDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000427020063 945019144 /nfs/dbraw/zinc/01/91/44/945019144.db2.gz AGMTVOIVIVOORD-GJZGRUSLSA-N 1 0 350.422 3.557 20 30 FHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000437100007 945019394 /nfs/dbraw/zinc/01/93/94/945019394.db2.gz UBHXYYFILDPFPR-ZCGYKAAXSA-N 1 0 366.421 3.902 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)CC1 ZINC000432080307 945020982 /nfs/dbraw/zinc/02/09/82/945020982.db2.gz NXYIYMAGAALBDT-HXUWFJFHSA-N 1 0 353.510 3.964 20 30 FHEDRO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507199049 945025275 /nfs/dbraw/zinc/02/52/75/945025275.db2.gz DOASEDLEDVPYML-FPOVZHCZSA-N 1 0 370.537 3.634 20 30 FHEDRO CC(C)O[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1(C)C ZINC000437105433 945025562 /nfs/dbraw/zinc/02/55/62/945025562.db2.gz RXLWHQCRRHWKJF-BTRQGYIVSA-N 1 0 357.498 3.825 20 30 FHEDRO COc1ccc([C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)C(C)C)cc1 ZINC000438781865 945025754 /nfs/dbraw/zinc/02/57/54/945025754.db2.gz BMLBMDAEJVWZEF-OAQYLSRUSA-N 1 0 351.450 3.882 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425723248 945039085 /nfs/dbraw/zinc/03/90/85/945039085.db2.gz CBKQKJSGFSIDIV-PKOBYXMFSA-N 1 0 356.514 3.629 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507212319 945044884 /nfs/dbraw/zinc/04/48/84/945044884.db2.gz VNFNTRCXUWMGND-KKSFZXQISA-N 1 0 359.489 3.523 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000506368351 945052397 /nfs/dbraw/zinc/05/23/97/945052397.db2.gz IQLZDKFRZSHPJY-UHFFFAOYSA-N 1 0 355.869 3.982 20 30 FHEDRO CCOc1cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc(Cl)c1OC ZINC000519036731 945056722 /nfs/dbraw/zinc/05/67/22/945056722.db2.gz GEWCSHQEFLAPNN-UHFFFAOYSA-N 1 0 360.841 3.917 20 30 FHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330147618 945376889 /nfs/dbraw/zinc/37/68/89/945376889.db2.gz ITOCYSUBPHRIDK-QGZVFWFLSA-N 1 0 351.535 3.636 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000660673962 945378893 /nfs/dbraw/zinc/37/88/93/945378893.db2.gz BFYQFOIFIUHMEZ-YRPNKDGESA-N 1 0 365.562 3.558 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1C(C)C ZINC000330181000 945390379 /nfs/dbraw/zinc/39/03/79/945390379.db2.gz NRGAPMYNOSHSNW-WMZOPIPTSA-N 1 0 361.534 3.624 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1C(C)C ZINC000330180999 945390626 /nfs/dbraw/zinc/39/06/26/945390626.db2.gz NRGAPMYNOSHSNW-SJLPKXTDSA-N 1 0 361.534 3.624 20 30 FHEDRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000330216450 945406557 /nfs/dbraw/zinc/40/65/57/945406557.db2.gz HUNOBKYHPNADSN-PZSREKOKSA-N 1 0 352.862 3.791 20 30 FHEDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000330223621 945410777 /nfs/dbraw/zinc/41/07/77/945410777.db2.gz NELHWAOVYGZIOS-UXHICEINSA-N 1 0 371.525 3.646 20 30 FHEDRO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)cc1 ZINC000440318496 945417216 /nfs/dbraw/zinc/41/72/16/945417216.db2.gz SJBWOJSWTSFJQJ-XMMPIXPASA-N 1 0 373.500 3.545 20 30 FHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1 ZINC000299643106 945422467 /nfs/dbraw/zinc/42/24/67/945422467.db2.gz JDONYXUNGQHQMI-UHFFFAOYSA-N 1 0 364.493 3.870 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1c1nccn1CC ZINC000330250136 945425180 /nfs/dbraw/zinc/42/51/80/945425180.db2.gz HBFGTPHWJXAACI-QZTJIDSGSA-N 1 0 361.534 3.609 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001126570117 945453345 /nfs/dbraw/zinc/45/33/45/945453345.db2.gz YWRDFKRNIGEUEE-STZQEDGTSA-N 1 0 361.489 3.711 20 30 FHEDRO CCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(CC)cc1 ZINC000027057335 945506587 /nfs/dbraw/zinc/50/65/87/945506587.db2.gz QYTQSOIWVBKDRB-UHFFFAOYSA-O 1 0 353.467 3.831 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000660811289 945518342 /nfs/dbraw/zinc/51/83/42/945518342.db2.gz HJEXFPFKYIPVOG-FYZZASKESA-N 1 0 353.510 3.932 20 30 FHEDRO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281138799 945537594 /nfs/dbraw/zinc/53/75/94/945537594.db2.gz ALTISNWKSKEDAD-FQEVSTJZSA-N 1 0 355.526 3.683 20 30 FHEDRO CC[N@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1c(C)cccc1C ZINC000281142146 945537659 /nfs/dbraw/zinc/53/76/59/945537659.db2.gz ATFJTCASDOBUBJ-UHFFFAOYSA-N 1 0 357.498 3.664 20 30 FHEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000487452408 945539936 /nfs/dbraw/zinc/53/99/36/945539936.db2.gz PSARQYADYJLAHX-SFTDATJTSA-N 1 0 362.477 3.904 20 30 FHEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000519616810 945545836 /nfs/dbraw/zinc/54/58/36/945545836.db2.gz RMEFDVFCIBLPCJ-UHFFFAOYSA-N 1 0 364.449 3.724 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCN(c3ccccc3)C2)cc1Cl ZINC000262019660 945568408 /nfs/dbraw/zinc/56/84/08/945568408.db2.gz XKHJNRGOQRAQDE-CQSZACIVSA-N 1 0 358.873 3.602 20 30 FHEDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000550308939 945585608 /nfs/dbraw/zinc/58/56/08/945585608.db2.gz BMCQAKBIQZFHDM-JTSKRJEESA-N 1 0 350.462 3.778 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000660936792 945588212 /nfs/dbraw/zinc/58/82/12/945588212.db2.gz CHLXNKNLLHLZHJ-QZTJIDSGSA-N 1 0 356.514 3.605 20 30 FHEDRO c1cn(-c2ncccc2C[NH+]=C(Nc2ccccc2)N2CCCCC2)cn1 ZINC000262026071 945614374 /nfs/dbraw/zinc/61/43/74/945614374.db2.gz ZMCSNWBAEWAQFV-UHFFFAOYSA-N 1 0 360.465 3.721 20 30 FHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCc1ccc(C#N)cc1 ZINC000469487373 945659691 /nfs/dbraw/zinc/65/96/91/945659691.db2.gz GPNHLWOILRBQBN-JOCHJYFZSA-N 1 0 363.505 3.764 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCc1ccc(Br)cc1 ZINC000592810717 945672769 /nfs/dbraw/zinc/67/27/69/945672769.db2.gz FBWDGXQWXFEAOF-HNNXBMFYSA-N 1 0 365.315 3.513 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c(C(F)(F)F)c1 ZINC000519728179 945680723 /nfs/dbraw/zinc/68/07/23/945680723.db2.gz RSUOJYSMBHGNEI-UHFFFAOYSA-N 1 0 360.383 3.862 20 30 FHEDRO COc1cc(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)ccc1C#N ZINC000440613641 945709022 /nfs/dbraw/zinc/70/90/22/945709022.db2.gz LVTDTCCETKEABO-NSHDSACASA-N 1 0 366.387 3.793 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(CCC#N)CC2)CC1 ZINC000519772255 945730214 /nfs/dbraw/zinc/73/02/14/945730214.db2.gz RXSKPJXQKIOFJG-SFHVURJKSA-N 1 0 368.525 3.937 20 30 FHEDRO N#CCCC[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000487456859 945731043 /nfs/dbraw/zinc/73/10/43/945731043.db2.gz WYNHTCPWEXBVFM-FQEVSTJZSA-N 1 0 369.509 3.573 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC(c2ccccc2)c2ccccc2)cc1 ZINC000550084854 945739894 /nfs/dbraw/zinc/73/98/94/945739894.db2.gz AMSKZICCRBYLHM-JOCHJYFZSA-N 1 0 372.468 3.720 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000661119676 945745428 /nfs/dbraw/zinc/74/54/28/945745428.db2.gz VSTNESIOIBGFGS-GOEBONIOSA-N 1 0 358.404 3.895 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000661117384 945749933 /nfs/dbraw/zinc/74/99/33/945749933.db2.gz QMAGWPRGNRHRBH-UKRRQHHQSA-N 1 0 357.454 3.577 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)CC2)nc1 ZINC000126655512 945758507 /nfs/dbraw/zinc/75/85/07/945758507.db2.gz HNADREYCVMIWCS-HOCLYGCPSA-N 1 0 352.404 3.633 20 30 FHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C#N)c(OC)c3)ccc2NC1=O ZINC000281575752 945774452 /nfs/dbraw/zinc/77/44/52/945774452.db2.gz CVPTZLJMSWZCQS-UGSOOPFHSA-N 1 0 365.433 3.527 20 30 FHEDRO CCN1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519830774 945791607 /nfs/dbraw/zinc/79/16/07/945791607.db2.gz AQQOLDDNZGATKS-MOPGFXCFSA-N 1 0 358.848 3.671 20 30 FHEDRO [NH2+]=C(Nc1cccc(OC(F)(F)F)c1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000262378974 945836612 /nfs/dbraw/zinc/83/66/12/945836612.db2.gz NYSXXDTXWYVQGY-KFWWJZLASA-N 1 0 369.387 3.660 20 30 FHEDRO C=CC1CC[NH+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000111256513 945872372 /nfs/dbraw/zinc/87/23/72/945872372.db2.gz DAMHORKYYRQRDZ-UHFFFAOYSA-N 1 0 352.482 3.716 20 30 FHEDRO C=CC1CC[NH+](Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)CC1 ZINC000111258332 945874195 /nfs/dbraw/zinc/87/41/95/945874195.db2.gz NBCQQAOOECDIHY-UHFFFAOYSA-N 1 0 365.380 3.745 20 30 FHEDRO N#Cc1cccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000473675581 945878285 /nfs/dbraw/zinc/87/82/85/945878285.db2.gz LWYCKBSHBYQRCJ-INIZCTEOSA-N 1 0 360.244 3.760 20 30 FHEDRO N#Cc1ccc(C(=O)N2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC001271562173 945883090 /nfs/dbraw/zinc/88/30/90/945883090.db2.gz NZDIEIVXAQXWSD-UHFFFAOYSA-N 1 0 351.494 3.819 20 30 FHEDRO C=C(C)C[NH+]1CCC(NCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000281836591 945884231 /nfs/dbraw/zinc/88/42/31/945884231.db2.gz AHNZDQUJELWTQP-UHFFFAOYSA-N 1 0 366.531 3.620 20 30 FHEDRO CC(C)N(CC[NH+](C)C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000151846541 945897590 /nfs/dbraw/zinc/89/75/90/945897590.db2.gz DNTBZQDUOQZWTD-UHFFFAOYSA-N 1 0 365.477 3.549 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000519923678 945901763 /nfs/dbraw/zinc/90/17/63/945901763.db2.gz FZKKQKNQWWKUIG-RTBURBONSA-N 1 0 370.541 3.989 20 30 FHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000579098112 945945449 /nfs/dbraw/zinc/94/54/49/945945449.db2.gz CDBLQCXHCGKORP-MOPGFXCFSA-N 1 0 354.498 3.519 20 30 FHEDRO CC[N@H+]([C@H](C)c1cccc(O)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248734804 946024646 /nfs/dbraw/zinc/02/46/46/946024646.db2.gz KLRACRWYCOEKEV-IERDGZPVSA-N 1 0 363.461 3.842 20 30 FHEDRO C=CCn1c(C2CCC2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508467251 946046445 /nfs/dbraw/zinc/04/64/45/946046445.db2.gz XSKKNWMIAAWKLP-LJQANCHMSA-N 1 0 365.525 3.690 20 30 FHEDRO C=CC[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000661380078 946052801 /nfs/dbraw/zinc/05/28/01/946052801.db2.gz DRHXWFPVKORDCV-APWZRJJASA-N 1 0 355.507 3.637 20 30 FHEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1 ZINC000661381088 946052904 /nfs/dbraw/zinc/05/29/04/946052904.db2.gz VCWIEZXSNTVSPO-CQSZACIVSA-N 1 0 373.453 3.551 20 30 FHEDRO C=CC[C@]1(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)CCC[NH2+]1 ZINC000662826822 946076763 /nfs/dbraw/zinc/07/67/63/946076763.db2.gz MTTGUONJAXXYGQ-OAQYLSRUSA-N 1 0 353.441 3.621 20 30 FHEDRO C[C@H]1CCN(C(=O)NCC2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000440994961 946096647 /nfs/dbraw/zinc/09/66/47/946096647.db2.gz XUQRZQRUOJQMAL-HDYDNRTBSA-N 1 0 368.525 3.622 20 30 FHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1F ZINC000520174031 946228961 /nfs/dbraw/zinc/22/89/61/946228961.db2.gz OYZKGHQNRQTAGI-LJQANCHMSA-N 1 0 356.441 3.595 20 30 FHEDRO C#Cc1ccc(C(=O)N(CCC)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000728823242 946325081 /nfs/dbraw/zinc/32/50/81/946325081.db2.gz OKZIPMFVWUPPKG-OAQYLSRUSA-N 1 0 361.489 3.580 20 30 FHEDRO C[C@@H]1[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520274164 946329161 /nfs/dbraw/zinc/32/91/61/946329161.db2.gz AFZFMIZFZOKLCW-UTKZUKDTSA-N 1 0 361.489 3.881 20 30 FHEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000441241449 946330970 /nfs/dbraw/zinc/33/09/70/946330970.db2.gz DFJGQSMXQSMJNY-VYDXJSESSA-N 1 0 361.511 3.567 20 30 FHEDRO CC(C)([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)c1cccc(C#N)c1 ZINC000595634915 946331441 /nfs/dbraw/zinc/33/14/41/946331441.db2.gz IHNBBCLHCBOKGV-OAQYLSRUSA-N 1 0 360.457 3.976 20 30 FHEDRO C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508472305 946362650 /nfs/dbraw/zinc/36/26/50/946362650.db2.gz JODIGVAOQZJBQG-MRXNPFEDSA-N 1 0 373.932 3.953 20 30 FHEDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438497121 946364947 /nfs/dbraw/zinc/36/49/47/946364947.db2.gz VRIMCZVWBRUMLY-UHFFFAOYSA-N 1 0 366.421 3.650 20 30 FHEDRO C=CCCO[C@H](C)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000520305020 946391644 /nfs/dbraw/zinc/39/16/44/946391644.db2.gz MMLRQGMFIQLABZ-QGZVFWFLSA-N 1 0 364.917 3.746 20 30 FHEDRO [NH2+]=C(NC[C@H](c1ccccc1)C(F)(F)F)N[C@@H]1CCOc2ccccc21 ZINC000262429337 946439551 /nfs/dbraw/zinc/43/95/51/946439551.db2.gz IYEBDWWZIYEQMF-HZPDHXFCSA-N 1 0 363.383 3.761 20 30 FHEDRO CC(C)(CCC#N)C[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000475494582 946442254 /nfs/dbraw/zinc/44/22/54/946442254.db2.gz RRBCQMZPRALNPQ-UHFFFAOYSA-N 1 0 365.477 3.635 20 30 FHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508487406 946448318 /nfs/dbraw/zinc/44/83/18/946448318.db2.gz FNRSKHJTTRRUCE-SFHVURJKSA-N 1 0 351.498 3.504 20 30 FHEDRO CC(C)[C@H](CNC(=O)c1cccc(CC#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000049657967 946506990 /nfs/dbraw/zinc/50/69/90/946506990.db2.gz QWERKUJIBATDMB-QFIPXVFZSA-N 1 0 361.489 3.565 20 30 FHEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000441371804 946522079 /nfs/dbraw/zinc/52/20/79/946522079.db2.gz ALDUTUBMPSCPJL-FCHUYYIVSA-N 1 0 361.489 3.751 20 30 FHEDRO COCC(C)(C)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055424 946542229 /nfs/dbraw/zinc/54/22/29/946542229.db2.gz OSLZGMVMUSMNLQ-RKDXNWHRSA-N 1 0 369.296 3.762 20 30 FHEDRO N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411764 946565436 /nfs/dbraw/zinc/56/54/36/946565436.db2.gz HJDRLXCMRCQHER-QAPCUYQASA-N 1 0 361.436 3.608 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CSCc2ccc(C#N)cc2)C1 ZINC000520421780 946568397 /nfs/dbraw/zinc/56/83/97/946568397.db2.gz CEOKUINUVPUOQX-QKLQHJQFSA-N 1 0 371.550 3.655 20 30 FHEDRO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C(C)(C)C ZINC000661755847 946583548 /nfs/dbraw/zinc/58/35/48/946583548.db2.gz RZGUBJMEFSZBFA-MRXNPFEDSA-N 1 0 355.438 3.837 20 30 FHEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000783595462 946590103 /nfs/dbraw/zinc/59/01/03/946590103.db2.gz PZSKVCZXXHAERM-INIZCTEOSA-N 1 0 363.383 3.751 20 30 FHEDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000661780779 946627872 /nfs/dbraw/zinc/62/78/72/946627872.db2.gz YGFUGHJLNPKKHR-HKUYNNGSSA-N 1 0 361.411 3.791 20 30 FHEDRO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508492248 946658975 /nfs/dbraw/zinc/65/89/75/946658975.db2.gz ISXQJMCFJLEVEZ-QGZVFWFLSA-N 1 0 353.514 3.608 20 30 FHEDRO CCN(CC)C(=[NH2+])NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000303877621 946722486 /nfs/dbraw/zinc/72/24/86/946722486.db2.gz FLRNJRQGRRYMDH-GOSISDBHSA-N 1 0 356.539 3.504 20 30 FHEDRO C=CCN(CC=C)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000303885311 946723586 /nfs/dbraw/zinc/72/35/86/946723586.db2.gz JRKOOEXSYDBFBL-KRWDZBQOSA-N 1 0 364.921 3.774 20 30 FHEDRO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867265 946743929 /nfs/dbraw/zinc/74/39/29/946743929.db2.gz WOKAPLNCFCNGCO-NRFANRHFSA-N 1 0 366.505 3.922 20 30 FHEDRO C[NH+](C)CCCNC(=S)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000840822676 946750109 /nfs/dbraw/zinc/75/01/09/946750109.db2.gz NXCNRGMVVLNMBS-UHFFFAOYSA-N 1 0 370.547 3.948 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)cc1 ZINC000897320301 946830122 /nfs/dbraw/zinc/83/01/22/946830122.db2.gz SKYIDPJQYVIYPH-UHFFFAOYSA-N 1 0 373.460 3.686 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccccc3Br)CC2)cc1 ZINC000262540283 946847841 /nfs/dbraw/zinc/84/78/41/946847841.db2.gz RIYIOICASOCJAO-UHFFFAOYSA-N 1 0 374.282 3.916 20 30 FHEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@@H](c2ccccc2)C1 ZINC000262469313 946851601 /nfs/dbraw/zinc/85/16/01/946851601.db2.gz OMDSBEFRYLWIKC-MRXNPFEDSA-N 1 0 366.490 3.968 20 30 FHEDRO COc1ccc(OC)c(NC(=[NH2+])NCC2(c3ccccc3Cl)CC2)c1 ZINC000305712334 946861817 /nfs/dbraw/zinc/86/18/17/946861817.db2.gz YGUUACIDVPEKCN-UHFFFAOYSA-N 1 0 359.857 3.816 20 30 FHEDRO [NH2+]=C(NCc1cccc(COCC(F)(F)F)c1)NC1CCCCCC1 ZINC000305743637 946865458 /nfs/dbraw/zinc/86/54/58/946865458.db2.gz KHZRIZZFLZIOEN-UHFFFAOYSA-N 1 0 357.420 3.893 20 30 FHEDRO N#CC(CC[NH2+][C@H]1CCCC[C@@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000193120260 946932392 /nfs/dbraw/zinc/93/23/92/946932392.db2.gz SAOLFDTYRSZNOU-SFTDATJTSA-N 1 0 361.489 3.520 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000067371529 946935445 /nfs/dbraw/zinc/93/54/45/946935445.db2.gz FZGWGLBHPMBGLJ-UHFFFAOYSA-N 1 0 354.885 3.955 20 30 FHEDRO C[N@H+](CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C1CC1 ZINC000066924272 946942410 /nfs/dbraw/zinc/94/24/10/946942410.db2.gz YTVFKYATPQEXFR-UHFFFAOYSA-N 1 0 365.502 3.675 20 30 FHEDRO N#Cc1ccc(Nc2cccc(C(=O)NC3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000523161422 946962312 /nfs/dbraw/zinc/96/23/12/946962312.db2.gz HPWNLEUDRYQUHY-UHFFFAOYSA-N 1 0 374.488 3.906 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N[C@H]2CCOc3ccccc32)C12CCCC2 ZINC000328648094 946963642 /nfs/dbraw/zinc/96/36/42/946963642.db2.gz HXDJVFGLFQLJMV-YTQUADARSA-N 1 0 358.482 3.794 20 30 FHEDRO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328664649 946972299 /nfs/dbraw/zinc/97/22/99/946972299.db2.gz YPSKADQOPLCDAD-SJORKVTESA-N 1 0 371.481 3.880 20 30 FHEDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328671787 946974902 /nfs/dbraw/zinc/97/49/02/946974902.db2.gz HOEHKGJLSQWDBH-QSEJOJBBSA-N 1 0 358.526 3.847 20 30 FHEDRO O=C(NCc1nc(C2CC2)cs1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000328597323 946976150 /nfs/dbraw/zinc/97/61/50/946976150.db2.gz ABZLPSVQKZXGIA-MRXNPFEDSA-N 1 0 362.543 3.821 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000475382695 946990138 /nfs/dbraw/zinc/99/01/38/946990138.db2.gz WGKCFOJBIRYLCD-YHELAOLJSA-N 1 0 353.510 3.938 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000475382934 946993988 /nfs/dbraw/zinc/99/39/88/946993988.db2.gz XIMDUZQJUVETJL-QKLQHJQFSA-N 1 0 353.510 3.965 20 30 FHEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000328740878 947005692 /nfs/dbraw/zinc/00/56/92/947005692.db2.gz NHNMAAIWNVMUKS-GBCUEWQUSA-N 1 0 370.541 3.913 20 30 FHEDRO CCNC(=O)N1CCc2ccc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)cc21 ZINC000328752469 947010730 /nfs/dbraw/zinc/01/07/30/947010730.db2.gz CXTWMMHXSOFUFO-HNNXBMFYSA-N 1 0 358.486 3.836 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000328754952 947011853 /nfs/dbraw/zinc/01/18/53/947011853.db2.gz DXWZWUIWUIMCGW-DYESRHJHSA-N 1 0 372.513 3.612 20 30 FHEDRO O=C(CCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)NC1CCCC1 ZINC000328772607 947021023 /nfs/dbraw/zinc/02/10/23/947021023.db2.gz JSOTYYJRLNICBR-UHFFFAOYSA-N 1 0 363.546 3.780 20 30 FHEDRO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000328774119 947021906 /nfs/dbraw/zinc/02/19/06/947021906.db2.gz KENZLYUKKHZCRS-KRWDZBQOSA-N 1 0 363.546 3.636 20 30 FHEDRO CC(C)c1ncc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000440466009 947024398 /nfs/dbraw/zinc/02/43/98/947024398.db2.gz SCMMHCSNOLTPSK-UHFFFAOYSA-N 1 0 371.872 3.586 20 30 FHEDRO O=C(Nc1cccc2ccsc21)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000328812619 947032613 /nfs/dbraw/zinc/03/26/13/947032613.db2.gz NARUYNGVYONSDR-QZTJIDSGSA-N 1 0 373.522 3.995 20 30 FHEDRO Cn1cc(-c2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cn1 ZINC000328815927 947034591 /nfs/dbraw/zinc/03/45/91/947034591.db2.gz GSTZCMRGNUQNNT-FQEVSTJZSA-N 1 0 352.482 3.951 20 30 FHEDRO CC(C)[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000328819533 947036655 /nfs/dbraw/zinc/03/66/55/947036655.db2.gz PMQYTZMIWXRCMG-KXBFYZLASA-N 1 0 364.511 3.549 20 30 FHEDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000328791452 947048235 /nfs/dbraw/zinc/04/82/35/947048235.db2.gz LZLPIGIPAAYKSB-IBGZPJMESA-N 1 0 357.498 3.635 20 30 FHEDRO N#CC(CC[N@H+]1CCCC[C@@H]1CC(N)=O)(c1ccccc1)c1ccccc1 ZINC000444619677 947052120 /nfs/dbraw/zinc/05/21/20/947052120.db2.gz KSEMJBIIFYUBOC-OAQYLSRUSA-N 1 0 361.489 3.616 20 30 FHEDRO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328838122 947059115 /nfs/dbraw/zinc/05/91/15/947059115.db2.gz NHUUIULXRXEQSQ-RDJZCZTQSA-N 1 0 353.466 3.960 20 30 FHEDRO O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C12CCC[NH+]1CCC2 ZINC000328844176 947062018 /nfs/dbraw/zinc/06/20/18/947062018.db2.gz PUFZIWYYWOLWEK-UHFFFAOYSA-N 1 0 357.435 3.755 20 30 FHEDRO O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000328860653 947070142 /nfs/dbraw/zinc/07/01/42/947070142.db2.gz AKPGSDZDQYZGEV-IEBWSBKVSA-N 1 0 373.472 3.685 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C3CCOCC3)C2)c(C)c1 ZINC000328870952 947076271 /nfs/dbraw/zinc/07/62/71/947076271.db2.gz YDWDPRIJBGTVDC-AEFFLSMTSA-N 1 0 373.497 3.942 20 30 FHEDRO CCOc1ccccc1CN1CCN(C(=O)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000441428075 947089521 /nfs/dbraw/zinc/08/95/21/947089521.db2.gz IZAQJVVZVCRFCN-GOSISDBHSA-N 1 0 369.509 3.592 20 30 FHEDRO COc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)ncc1Br ZINC000328917029 947107458 /nfs/dbraw/zinc/10/74/58/947107458.db2.gz KLMLOCCRSOGQJJ-CYBMUJFWSA-N 1 0 368.275 3.848 20 30 FHEDRO CCOC(=O)c1cc(C)sc1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000330405955 947167857 /nfs/dbraw/zinc/16/78/57/947167857.db2.gz QQSIZHWRZSROHO-OCCSQVGLSA-N 1 0 367.515 3.583 20 30 FHEDRO C[C@H](CNC(=O)Nc1ncc(C(F)(F)F)s1)[NH+]1CCC(C)CC1 ZINC000330420753 947171055 /nfs/dbraw/zinc/17/10/55/947171055.db2.gz CZVIGNOVZHSVIX-SNVBAGLBSA-N 1 0 350.410 3.608 20 30 FHEDRO N#Cc1cccc(OCCC[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000444777195 947212169 /nfs/dbraw/zinc/21/21/69/947212169.db2.gz FEFXUMFPQFZEPF-UHFFFAOYSA-N 1 0 364.489 3.644 20 30 FHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330587845 947221525 /nfs/dbraw/zinc/22/15/25/947221525.db2.gz YOPLZULLTHGQFW-AWEZNQCLSA-N 1 0 362.474 3.711 20 30 FHEDRO C=CC[C@H]1[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CCCC1(C)C ZINC000444788429 947230194 /nfs/dbraw/zinc/23/01/94/947230194.db2.gz VILUKPVZXWMJBJ-QGZVFWFLSA-N 1 0 366.527 3.631 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000523430912 947242005 /nfs/dbraw/zinc/24/20/05/947242005.db2.gz PFOXCQZVWCJAOI-UHFFFAOYSA-N 1 0 373.541 3.905 20 30 FHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247132812 947251405 /nfs/dbraw/zinc/25/14/05/947251405.db2.gz MGANNMFOTYORKK-CVEARBPZSA-N 1 0 360.527 3.792 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000330955297 947316709 /nfs/dbraw/zinc/31/67/09/947316709.db2.gz BCDVMFBKERYORW-CYBMUJFWSA-N 1 0 364.559 3.983 20 30 FHEDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000249030891 947317827 /nfs/dbraw/zinc/31/78/27/947317827.db2.gz LZWICFFBGYIKAT-TYCQWZJGSA-N 1 0 359.473 3.806 20 30 FHEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000249067671 947318507 /nfs/dbraw/zinc/31/85/07/947318507.db2.gz PYXNXGJZDOXPEE-FIXSFTCYSA-N 1 0 373.500 3.759 20 30 FHEDRO COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000330967291 947318798 /nfs/dbraw/zinc/31/87/98/947318798.db2.gz DPAFCNASAPNFPS-GOEBONIOSA-N 1 0 361.486 3.557 20 30 FHEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000331040794 947334557 /nfs/dbraw/zinc/33/45/57/947334557.db2.gz DEFGDFAHQUNOJT-QAPCUYQASA-N 1 0 360.502 3.551 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1OC(F)F ZINC000331106850 947347463 /nfs/dbraw/zinc/34/74/63/947347463.db2.gz ABTBMBYEIDCBIF-BFHYXJOUSA-N 1 0 355.429 3.725 20 30 FHEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)cc1 ZINC000181835589 947376706 /nfs/dbraw/zinc/37/67/06/947376706.db2.gz VXBABMSBNDWWRM-ACJLOTCBSA-N 1 0 355.438 3.845 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000331287312 947377119 /nfs/dbraw/zinc/37/71/19/947377119.db2.gz HSGALKDOAFHUIU-ZIBATOQPSA-N 1 0 372.332 3.604 20 30 FHEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000331251584 947382114 /nfs/dbraw/zinc/38/21/14/947382114.db2.gz PKRVVXPGVCGGNG-UHFFFAOYSA-N 1 0 354.376 3.776 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000331289619 947389979 /nfs/dbraw/zinc/38/99/79/947389979.db2.gz OXNBLUGOKZXLCE-IUODEOHRSA-N 1 0 368.403 3.927 20 30 FHEDRO Cn1cc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(-c2ccncc2)n1 ZINC000093872451 947427584 /nfs/dbraw/zinc/42/75/84/947427584.db2.gz MCBUDEVPSWMIEW-SFTDATJTSA-N 1 0 357.461 3.754 20 30 FHEDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)c2ccc(F)cc2C1 ZINC000184535160 947468655 /nfs/dbraw/zinc/46/86/55/947468655.db2.gz NHPMBQWAYQKISG-LHSJRXKWSA-N 1 0 351.425 3.841 20 30 FHEDRO C[C@@H]1[C@@H](Nc2c(C#N)cnc3c(Br)cccc32)CCC[N@@H+]1C ZINC000440645193 947494380 /nfs/dbraw/zinc/49/43/80/947494380.db2.gz CUBXCDOZQPGZFY-ABAIWWIYSA-N 1 0 359.271 3.764 20 30 FHEDRO C=CC[C@@H]1N(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CCCC1(C)C ZINC000445118373 947526840 /nfs/dbraw/zinc/52/68/40/947526840.db2.gz QVGHYBHSJWBVLE-IBGZPJMESA-N 1 0 365.562 3.652 20 30 FHEDRO CN(C)c1cccc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000536349580 947628764 /nfs/dbraw/zinc/62/87/64/947628764.db2.gz RXTLFPNQWCSQLP-UHFFFAOYSA-N 1 0 370.884 3.738 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC000662493299 947861112 /nfs/dbraw/zinc/86/11/12/947861112.db2.gz JUGGGFRAAPYOFH-OWTLIXCDSA-N 1 0 372.353 3.710 20 30 FHEDRO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000441486033 947967863 /nfs/dbraw/zinc/96/78/63/947967863.db2.gz MIEJUPANPYMPPJ-UHOSZYNNSA-N 1 0 366.465 3.634 20 30 FHEDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000511981774 948009868 /nfs/dbraw/zinc/00/98/68/948009868.db2.gz FNYZFXIWGNBYNJ-SFHVURJKSA-N 1 0 363.461 3.569 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000057152400 948056940 /nfs/dbraw/zinc/05/69/40/948056940.db2.gz FNBQNRLPARZZRF-UHFFFAOYSA-N 1 0 359.882 3.747 20 30 FHEDRO Cn1cc(C[N@@H+]2CCOC3(C2)CCCCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000180223606 948072101 /nfs/dbraw/zinc/07/21/01/948072101.db2.gz MORYLSLMYASPGM-UHFFFAOYSA-N 1 0 364.493 3.884 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000280820724 948197860 /nfs/dbraw/zinc/19/78/60/948197860.db2.gz NGXMIYQWSDCBGI-KHYOSLBOSA-N 1 0 350.890 3.936 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)ccc1OC ZINC000466890650 948209796 /nfs/dbraw/zinc/20/97/96/948209796.db2.gz LHEXURHSRQHQEC-FQEVSTJZSA-N 1 0 355.478 3.652 20 30 FHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@@H]1c1ccccc1 ZINC000585717087 948232364 /nfs/dbraw/zinc/23/23/64/948232364.db2.gz MZJLKFFUKREOQO-OALUTQOASA-N 1 0 370.294 3.856 20 30 FHEDRO C=CCC(C)(C)CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000432368939 948243608 /nfs/dbraw/zinc/24/36/08/948243608.db2.gz SSBYYMLKYOFFPR-UHFFFAOYSA-N 1 0 361.452 3.693 20 30 FHEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@@H](C)COC ZINC000663583853 948254381 /nfs/dbraw/zinc/25/43/81/948254381.db2.gz WXDLYRXHFKWXBH-OALUTQOASA-N 1 0 373.541 3.794 20 30 FHEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(I)c1 ZINC000585742963 948254400 /nfs/dbraw/zinc/25/44/00/948254400.db2.gz JSBFGKMALGOVQU-QGZVFWFLSA-N 1 0 374.225 3.940 20 30 FHEDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000585755441 948267855 /nfs/dbraw/zinc/26/78/55/948267855.db2.gz UHOGCJNJNRRZHJ-UWJYYQICSA-N 1 0 364.489 3.998 20 30 FHEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000585763836 948274259 /nfs/dbraw/zinc/27/42/59/948274259.db2.gz KQJKABDMMLZEEZ-UHFFFAOYSA-N 1 0 373.472 3.770 20 30 FHEDRO COC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(C(F)(F)F)c1 ZINC000585766495 948277177 /nfs/dbraw/zinc/27/71/77/948277177.db2.gz JWLIBLWFRWHMKY-KRWDZBQOSA-N 1 0 374.366 3.702 20 30 FHEDRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000760040715 948295695 /nfs/dbraw/zinc/29/56/95/948295695.db2.gz KZISCDTYZIOHDS-RVHYNSKXSA-N 1 0 354.425 3.545 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cscc2C#N)cc1 ZINC000432391975 948319918 /nfs/dbraw/zinc/31/99/18/948319918.db2.gz PCCXEZFAJRNGDK-OAHLLOKOSA-N 1 0 353.491 3.924 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000432397071 948330803 /nfs/dbraw/zinc/33/08/03/948330803.db2.gz WPPFMUYGIIWZDX-LJQANCHMSA-N 1 0 363.452 3.852 20 30 FHEDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3OC(F)F)CC2(C)C)cn1 ZINC000574700773 948356159 /nfs/dbraw/zinc/35/61/59/948356159.db2.gz JQIDRCKHWIVUON-INIZCTEOSA-N 1 0 360.408 3.519 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)N2CCC(C#N)CC2)[NH+](CC)CC)cc1 ZINC000432422786 948383627 /nfs/dbraw/zinc/38/36/27/948383627.db2.gz GZWBLBJPDNJAKK-HXUWFJFHSA-N 1 0 356.514 3.577 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183801395 948470350 /nfs/dbraw/zinc/47/03/50/948470350.db2.gz FSFIWGKHQKKKKC-MJGOQNOKSA-N 1 0 365.562 3.795 20 30 FHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1COc2ccccc21 ZINC000182073098 948493703 /nfs/dbraw/zinc/49/37/03/948493703.db2.gz ZKKDVNNKHFFLKP-HTAPYJJXSA-N 1 0 361.489 3.677 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000520683334 948578586 /nfs/dbraw/zinc/57/85/86/948578586.db2.gz SHIDPUGNMBKTPB-YSIASYRMSA-N 1 0 350.547 3.621 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000520682781 948579499 /nfs/dbraw/zinc/57/94/99/948579499.db2.gz PBFNTRVRSJBFQP-UHFFFAOYSA-N 1 0 352.931 3.979 20 30 FHEDRO C=C(C)CNC(=S)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000064371368 948582365 /nfs/dbraw/zinc/58/23/65/948582365.db2.gz FBJUWNZCZBTDJC-UHFFFAOYSA-N 1 0 359.461 3.520 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1 ZINC000523969569 948745854 /nfs/dbraw/zinc/74/58/54/948745854.db2.gz VNKDIHZLAQDERB-UWJYYQICSA-N 1 0 357.498 3.609 20 30 FHEDRO CC(C)n1cnnc1CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000328603557 520053800 /nfs/dbraw/zinc/05/38/00/520053800.db2.gz GNBSDMFRKZPEDO-WIYYLYMNSA-N 1 0 367.497 3.618 20 30 FHEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)NCCC2=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000328643289 521614120 /nfs/dbraw/zinc/61/41/20/521614120.db2.gz YSDLPTJOMWHCDC-AZUAARDMSA-N 1 0 373.545 3.539 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000481369628 567822242 /nfs/dbraw/zinc/82/22/42/567822242.db2.gz CAUKPAKSSCRPAN-DJJJIMSYSA-N 1 0 357.841 3.516 20 30 FHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000601743677 567833655 /nfs/dbraw/zinc/83/36/55/567833655.db2.gz DYRADNQFGYMJRU-FQEVSTJZSA-N 1 0 353.510 3.626 20 30 FHEDRO CCC1([NH+](C)C)CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000601791029 567842486 /nfs/dbraw/zinc/84/24/86/567842486.db2.gz FLGZACMHOWTADT-UHFFFAOYSA-N 1 0 366.509 3.891 20 30 FHEDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000601935061 567880157 /nfs/dbraw/zinc/88/01/57/567880157.db2.gz OUGKCZBUIITZMN-STQMWFEESA-N 1 0 360.458 3.577 20 30 FHEDRO CC[C@@](C)(C#N)C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602177402 567942101 /nfs/dbraw/zinc/94/21/01/567942101.db2.gz ORQBAXAQROMQOM-NRFANRHFSA-N 1 0 353.510 3.831 20 30 FHEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000481460580 567961257 /nfs/dbraw/zinc/96/12/57/567961257.db2.gz SPBDNOVKXLURQT-JLTOFOAXSA-N 1 0 371.868 3.906 20 30 FHEDRO C=CCOc1ccc(CNC(=O)NCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000521417159 567964866 /nfs/dbraw/zinc/96/48/66/567964866.db2.gz OQAYCUMIDORAQZ-UHFFFAOYSA-N 1 0 367.493 3.703 20 30 FHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(OC(F)F)cc1 ZINC000161758006 567966206 /nfs/dbraw/zinc/96/62/06/567966206.db2.gz BYQWBUCZMKRCSC-AWEZNQCLSA-N 1 0 372.419 3.874 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000602498580 567983668 /nfs/dbraw/zinc/98/36/68/567983668.db2.gz OATSAZCMRUJMGH-QRVBRYPASA-N 1 0 371.525 3.807 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000602492190 567986356 /nfs/dbraw/zinc/98/63/56/567986356.db2.gz UTJMJIIYQUYPQW-QGZVFWFLSA-N 1 0 359.539 3.746 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000602520856 567987164 /nfs/dbraw/zinc/98/71/64/567987164.db2.gz KNOAJIDRPDLQKS-HUUCEWRRSA-N 1 0 350.304 3.805 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000602520854 567987179 /nfs/dbraw/zinc/98/71/79/567987179.db2.gz KNOAJIDRPDLQKS-CABCVRRESA-N 1 0 350.304 3.805 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000602525490 567987750 /nfs/dbraw/zinc/98/77/50/567987750.db2.gz IEYPZUCOFYRSRS-GJZGRUSLSA-N 1 0 350.304 3.805 20 30 FHEDRO C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)c1nc(-c2ccccc2)no1 ZINC000602581577 567993780 /nfs/dbraw/zinc/99/37/80/567993780.db2.gz USEASPKQESMWOK-CVEARBPZSA-N 1 0 354.454 3.529 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000602575423 567996517 /nfs/dbraw/zinc/99/65/17/567996517.db2.gz HPAXDFBKDJUSRB-LSDHHAIUSA-N 1 0 365.880 3.746 20 30 FHEDRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602575963 567996683 /nfs/dbraw/zinc/99/66/83/567996683.db2.gz KJQNBDKAMPBMEN-SFHVURJKSA-N 1 0 360.498 3.599 20 30 FHEDRO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000602605427 567997016 /nfs/dbraw/zinc/99/70/16/567997016.db2.gz VHBXKUOSXPAUDT-WBVHZDCISA-N 1 0 353.388 3.564 20 30 FHEDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+]C1CCC(C#N)CC1 ZINC000602606624 567997196 /nfs/dbraw/zinc/99/71/96/567997196.db2.gz BSBVSNOAQHEVSZ-UHFFFAOYSA-N 1 0 364.287 3.758 20 30 FHEDRO Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C[C@@H](C)CCC#N ZINC000602597288 567999780 /nfs/dbraw/zinc/99/97/80/567999780.db2.gz AOJZRQDXOIWIBU-OXJNMPFZSA-N 1 0 352.482 3.802 20 30 FHEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000602598331 568000023 /nfs/dbraw/zinc/00/00/23/568000023.db2.gz HLMYNVXRCGETPB-FUHWJXTLSA-N 1 0 365.481 3.781 20 30 FHEDRO COc1cc2c(cc1OC)[C@@H]([NH+]1CCC(C#N)(c3ccccn3)CC1)CC2 ZINC000602653314 568005751 /nfs/dbraw/zinc/00/57/51/568005751.db2.gz OSVFCZCPKJRIJL-SFHVURJKSA-N 1 0 363.461 3.643 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC000481500318 568007449 /nfs/dbraw/zinc/00/74/49/568007449.db2.gz XMBRBZMYZKYVOX-GHTZIAJQSA-N 1 0 368.452 3.707 20 30 FHEDRO CN1CC[C@H]([NH2+]CC2(C#N)CCC2)C[C@H]1c1ccc(Br)cc1 ZINC000602697158 568016438 /nfs/dbraw/zinc/01/64/38/568016438.db2.gz IOPSNQVQLYQDNI-IRXDYDNUSA-N 1 0 362.315 3.868 20 30 FHEDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000568333325 568025438 /nfs/dbraw/zinc/02/54/38/568025438.db2.gz UIWFABHLAKRNHT-ZBFHGGJFSA-N 1 0 367.415 3.750 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602976057 568035969 /nfs/dbraw/zinc/03/59/69/568035969.db2.gz KJVXKFDJSPRXGN-IAQYHMDHSA-N 1 0 368.250 3.541 20 30 FHEDRO C=C(C)C[N@H+](CC)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000065167237 568044371 /nfs/dbraw/zinc/04/43/71/568044371.db2.gz FYMYKJXSZCYDCR-ZDUSSCGKSA-N 1 0 362.695 3.740 20 30 FHEDRO COc1ccc(Br)cc1-c1nc(CN[C@@H](C)CC#N)cs1 ZINC000602860636 568049464 /nfs/dbraw/zinc/04/94/64/568049464.db2.gz CSSMCSSMCGYAAN-JTQLQIEISA-N 1 0 366.284 3.973 20 30 FHEDRO Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000603016998 568051982 /nfs/dbraw/zinc/05/19/82/568051982.db2.gz ORNFDBSSAFKPOD-UHFFFAOYSA-N 1 0 374.382 3.852 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000481592252 568063604 /nfs/dbraw/zinc/06/36/04/568063604.db2.gz APIJCSAYSYRQLC-UHFFFAOYSA-N 1 0 354.429 3.861 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1nccs1 ZINC000159257991 568069567 /nfs/dbraw/zinc/06/95/67/568069567.db2.gz TWKLJPFGWRRVDG-UHFFFAOYSA-N 1 0 362.886 3.561 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1N1CCOCC1 ZINC000481667604 568081046 /nfs/dbraw/zinc/08/10/46/568081046.db2.gz KBHLSUQLLMVNQS-JOCHJYFZSA-N 1 0 361.489 3.952 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000481677962 568085129 /nfs/dbraw/zinc/08/51/29/568085129.db2.gz MRJVJMINTNNPLV-UXHICEINSA-N 1 0 363.436 3.860 20 30 FHEDRO CC[N@H+](CCc1c(C)nc2ccccn2c1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000568643086 568104442 /nfs/dbraw/zinc/10/44/42/568104442.db2.gz BZHSLNRZJJVBAG-QGZVFWFLSA-N 1 0 360.461 3.500 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000181889853 568121199 /nfs/dbraw/zinc/12/11/99/568121199.db2.gz SKZFHWPZBWBKSU-FUHWJXTLSA-N 1 0 365.477 3.753 20 30 FHEDRO Cc1cc(C)c(NC(=O)CN(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000330286327 568121278 /nfs/dbraw/zinc/12/12/78/568121278.db2.gz AJCKPLUKEZWTKB-GOSISDBHSA-N 1 0 359.514 3.923 20 30 FHEDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000568684010 568122446 /nfs/dbraw/zinc/12/24/46/568122446.db2.gz GUFMFHPPBUJVBC-PXNSSMCTSA-N 1 0 350.462 3.730 20 30 FHEDRO COCCOc1ncccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481914281 568182104 /nfs/dbraw/zinc/18/21/04/568182104.db2.gz KBSMKEKLUSMYQA-HXUWFJFHSA-N 1 0 351.450 3.536 20 30 FHEDRO N#Cc1cc2c(nc1N1CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)CCC2 ZINC000481990575 568215934 /nfs/dbraw/zinc/21/59/34/568215934.db2.gz DXMBBIZSUWCLFA-NFBKMPQASA-N 1 0 372.516 3.933 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1(CC)CC ZINC000482136368 568287397 /nfs/dbraw/zinc/28/73/97/568287397.db2.gz PICHOCDUNAEJLH-HZPDHXFCSA-N 1 0 363.527 3.749 20 30 FHEDRO Cc1cccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000604500751 568301718 /nfs/dbraw/zinc/30/17/18/568301718.db2.gz QNXYMAALFREQOI-JOCHJYFZSA-N 1 0 366.505 3.959 20 30 FHEDRO CCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCc2ccccc21 ZINC000604503423 568302174 /nfs/dbraw/zinc/30/21/74/568302174.db2.gz OLXOIOLEGXNDAB-REWPJTCUSA-N 1 0 364.489 3.892 20 30 FHEDRO CC(C)[C@@H](C#N)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000609487164 568346660 /nfs/dbraw/zinc/34/66/60/568346660.db2.gz XRTAPJCUXDASCJ-HSZRJFAPSA-N 1 0 358.489 3.891 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000604766020 568361962 /nfs/dbraw/zinc/36/19/62/568361962.db2.gz MWNFCDCAQRKWPE-RTBURBONSA-N 1 0 365.395 3.876 20 30 FHEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CCOCC2)cc1 ZINC000365269967 568388361 /nfs/dbraw/zinc/38/83/61/568388361.db2.gz RVQVSNXFNPCDFZ-NRFANRHFSA-N 1 0 354.425 3.963 20 30 FHEDRO CC[C@@H]([NH2+]C[C@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000570324097 568469652 /nfs/dbraw/zinc/46/96/52/568469652.db2.gz UWXQVCYFDWATIR-DENIHFKCSA-N 1 0 368.477 3.610 20 30 FHEDRO COc1cc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cc(Cl)c1OC ZINC000570366076 568480838 /nfs/dbraw/zinc/48/08/38/568480838.db2.gz XPDLTFRGGAUYPY-UHFFFAOYSA-N 1 0 374.868 3.877 20 30 FHEDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000570597804 568490172 /nfs/dbraw/zinc/49/01/72/568490172.db2.gz XYYAPYLGPXSOLG-HRAATJIYSA-N 1 0 363.461 3.802 20 30 FHEDRO CC[N@H+](CCCOc1cccc(C#N)c1)CC(=O)Nc1c(C)cccc1C ZINC000128804424 568538015 /nfs/dbraw/zinc/53/80/15/568538015.db2.gz SKNWCWOMMBSUEJ-UHFFFAOYSA-N 1 0 365.477 3.905 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000182031542 568560389 /nfs/dbraw/zinc/56/03/89/568560389.db2.gz NOFHKVKBUDQBQB-OAQYLSRUSA-N 1 0 353.510 3.604 20 30 FHEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)c2)s1 ZINC000737708312 598887821 /nfs/dbraw/zinc/88/78/21/598887821.db2.gz CJHMEZYPJGKEQO-UHFFFAOYSA-N 1 0 372.457 3.757 20 30 FHEDRO CCN(CC)c1ccc(C=[NH+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c(O)c1 ZINC000821198930 599398940 /nfs/dbraw/zinc/39/89/40/599398940.db2.gz YGCQAGVWGWDDQH-SFDYMUJDSA-N 1 0 364.453 3.599 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000828258042 602052513 /nfs/dbraw/zinc/05/25/13/602052513.db2.gz OSOSYIYCLWFWHA-UTKZUKDTSA-N 1 0 369.509 3.660 20 30 FHEDRO C=CCC[C@@H](CCC)[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000823894092 608287436 /nfs/dbraw/zinc/28/74/36/608287436.db2.gz HGBIYVCMBSKGFO-WWDZGPRUSA-N 1 0 370.501 3.676 20 30 FHEDRO C=CCOc1ccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000823932297 608523080 /nfs/dbraw/zinc/52/30/80/608523080.db2.gz STFDUGNLLSPCRI-UHFFFAOYSA-N 1 0 369.856 3.717 20 30 FHEDRO CC(C)C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824262302 609514629 /nfs/dbraw/zinc/51/46/29/609514629.db2.gz ZISIWHNEIZZFHA-UHFFFAOYSA-N 1 0 360.465 3.591 20 30 FHEDRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c(Cl)cc1C#N ZINC001164856624 721020806 /nfs/dbraw/zinc/02/08/06/721020806.db2.gz BFCKLPYFRBEOAL-AWEZNQCLSA-N 1 0 372.904 3.533 20 30 FHEDRO Cc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ccc1C#N ZINC001164795097 721497844 /nfs/dbraw/zinc/49/78/44/721497844.db2.gz CZFXFTSESIGGGP-UHFFFAOYSA-N 1 0 361.493 3.538 20 30 FHEDRO CN(CC1CC[NH+](C)CC1)c1cnc(Cl)nc1Oc1ccccc1C#N ZINC001165043684 721939055 /nfs/dbraw/zinc/93/90/55/721939055.db2.gz BCCMHLDJIIVOFI-UHFFFAOYSA-N 1 0 371.872 3.572 20 30 FHEDRO CN(CC1CC[NH+](C)CC1)c1cnc(Cl)nc1Oc1cccc(C#N)c1 ZINC001165044158 721939182 /nfs/dbraw/zinc/93/91/82/721939182.db2.gz KXTREWAQCFQOJE-UHFFFAOYSA-N 1 0 371.872 3.572 20 30 FHEDRO CC[NH+](CC)C1CCN(c2ccc([C@H](C#N)c3ccccc3F)nn2)CC1 ZINC001165052952 722003944 /nfs/dbraw/zinc/00/39/44/722003944.db2.gz GUMIGZAACVCQJD-GOSISDBHSA-N 1 0 367.472 3.582 20 30 FHEDRO Cc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1CC#N ZINC001164995907 722209288 /nfs/dbraw/zinc/20/92/88/722209288.db2.gz PSJFJMMJKCYBTE-JOCHJYFZSA-N 1 0 364.468 3.840 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3sccc3C#N)cc2)C1 ZINC000052035218 936341296 /nfs/dbraw/zinc/34/12/96/936341296.db2.gz XVMSQTVRWGOIJW-HNNXBMFYSA-N 1 0 353.491 3.782 20 30 FHEDRO C=CCC(C)(C)CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000458381956 937113916 /nfs/dbraw/zinc/11/39/16/937113916.db2.gz XHUSNMXSGABTKU-SFHVURJKSA-N 1 0 373.541 3.788 20 30 FHEDRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000047956436 927097850 /nfs/dbraw/zinc/09/78/50/927097850.db2.gz WOWDTXJQRQMLAF-YJBOKZPZSA-N 1 0 368.506 3.817 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654733967 927218011 /nfs/dbraw/zinc/21/80/11/927218011.db2.gz GDIGOSJCKIDROW-UXHICEINSA-N 1 0 373.545 3.569 20 30 FHEDRO CC[C@H](C)[NH2+][C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)c1ccco1 ZINC000557694338 927319789 /nfs/dbraw/zinc/31/97/89/927319789.db2.gz PMXXHNPWOMMUKW-SMDDNHRTSA-N 1 0 352.360 3.528 20 30 FHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3OC3CCCC3)C2)nc1 ZINC000430156062 927390681 /nfs/dbraw/zinc/39/06/81/927390681.db2.gz LTLWTQFXERFHOG-HXUWFJFHSA-N 1 0 363.461 3.928 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)cc1 ZINC000153919923 927518700 /nfs/dbraw/zinc/51/87/00/927518700.db2.gz AZJVQYACANCHKN-GOSISDBHSA-N 1 0 362.473 3.672 20 30 FHEDRO CCC[N@H+](CC(=O)N[C@H](C)Cc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000510059282 927520277 /nfs/dbraw/zinc/52/02/77/927520277.db2.gz XXCOJRBOGBTTQM-LJQANCHMSA-N 1 0 363.505 3.826 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3cccc(Cl)c3)CC2)CC1 ZINC000154187424 937172735 /nfs/dbraw/zinc/17/27/35/937172735.db2.gz MQXVWOILMBTUIT-UHFFFAOYSA-N 1 0 361.917 3.711 20 30 FHEDRO C=CCSc1ccccc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467056543 927579523 /nfs/dbraw/zinc/57/95/23/927579523.db2.gz IOQYBCBYWZOEPA-UHFFFAOYSA-N 1 0 354.519 3.999 20 30 FHEDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1[N+](=O)[O-] ZINC000430184040 927641046 /nfs/dbraw/zinc/64/10/46/927641046.db2.gz FDBJLSBZOQHHEN-KRWDZBQOSA-N 1 0 366.421 3.638 20 30 FHEDRO C=CC[C@@H]1CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000890548697 927681853 /nfs/dbraw/zinc/68/18/53/927681853.db2.gz XFRSULUPGHAWPT-GUDVDZBRSA-N 1 0 367.518 3.536 20 30 FHEDRO C=CC[C@H]1CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000890548698 927682364 /nfs/dbraw/zinc/68/23/64/927682364.db2.gz XFRSULUPGHAWPT-IPMKNSEASA-N 1 0 367.518 3.536 20 30 FHEDRO COc1ccc2cc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc2c1 ZINC000430189981 927726159 /nfs/dbraw/zinc/72/61/59/927726159.db2.gz VUSPBIFZTBNDHY-NRFANRHFSA-N 1 0 359.429 3.768 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CC)COC)cc1OC ZINC000120220306 927769256 /nfs/dbraw/zinc/76/92/56/927769256.db2.gz AUQSKZIUQWKVRJ-ZDUSSCGKSA-N 1 0 358.276 3.537 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1C#N ZINC000157667271 928406969 /nfs/dbraw/zinc/40/69/69/928406969.db2.gz ZVWZSTXFKWFTDG-UHFFFAOYSA-N 1 0 366.465 3.729 20 30 FHEDRO Oc1ccc2ccccc2c1/C=N\C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000254945417 928430865 /nfs/dbraw/zinc/43/08/65/928430865.db2.gz MFZOPNYSODSANK-XSTYWCFOSA-N 1 0 352.478 3.732 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)cc1 ZINC000274796866 928437162 /nfs/dbraw/zinc/43/71/62/928437162.db2.gz NQDGPHFMDZUCCD-UHFFFAOYSA-N 1 0 367.884 3.866 20 30 FHEDRO CON=Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000254944016 928439662 /nfs/dbraw/zinc/43/96/62/928439662.db2.gz LZJMETINXYFFBG-KRWDZBQOSA-N 1 0 365.477 3.622 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000157691109 928454413 /nfs/dbraw/zinc/45/44/13/928454413.db2.gz KDYBZMKIPQYRCK-UHFFFAOYSA-N 1 0 352.434 3.563 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000547711467 928785960 /nfs/dbraw/zinc/78/59/60/928785960.db2.gz SFORGDCOPPTLJQ-IBGZPJMESA-N 1 0 367.880 3.662 20 30 FHEDRO CC(C)(C)OC(=O)CN(CCc1ccc(C#N)cc1)Cc1ccccc1 ZINC001208921020 929007929 /nfs/dbraw/zinc/00/79/29/929007929.db2.gz WPMCLLYRSOTIRZ-UHFFFAOYSA-N 1 0 350.462 3.945 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000572825002 929107602 /nfs/dbraw/zinc/10/76/02/929107602.db2.gz HZEICVFDRYWFOK-KNXBSLHKSA-N 1 0 374.488 3.537 20 30 FHEDRO N#Cc1csc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000248199150 937300942 /nfs/dbraw/zinc/30/09/42/937300942.db2.gz YBHVTQGKDXXDDS-RTBURBONSA-N 1 0 365.502 3.746 20 30 FHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134797989 929278876 /nfs/dbraw/zinc/27/88/76/929278876.db2.gz BNACJJMIUGDWBQ-FPOVZHCZSA-N 1 0 354.425 3.664 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134799829 929280570 /nfs/dbraw/zinc/28/05/70/929280570.db2.gz LZTQOONXUORHLM-DBVUQKKJSA-N 1 0 362.489 3.527 20 30 FHEDRO C=CCC[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000180035507 929326621 /nfs/dbraw/zinc/32/66/21/929326621.db2.gz SVSBSOLXBONROZ-UXHICEINSA-N 1 0 350.462 3.924 20 30 FHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc(F)c(C#N)c1 ZINC000547757818 929400314 /nfs/dbraw/zinc/40/03/14/929400314.db2.gz GFNDXBWWWKYUQN-UHFFFAOYSA-N 1 0 353.441 3.682 20 30 FHEDRO CSc1ccc([C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)[NH+](C)C)cc1 ZINC000579883015 929497862 /nfs/dbraw/zinc/49/78/62/929497862.db2.gz LOTDRRPIKUIPLA-SFHVURJKSA-N 1 0 373.909 3.966 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000116383854 929601202 /nfs/dbraw/zinc/60/12/02/929601202.db2.gz BWAMLCGKZYLJDH-GCJKJVERSA-N 1 0 351.494 3.647 20 30 FHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001209240365 929611099 /nfs/dbraw/zinc/61/10/99/929611099.db2.gz WDQDNKSKUZFBEW-HXUWFJFHSA-N 1 0 364.436 3.618 20 30 FHEDRO COCC#CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000683680208 929764592 /nfs/dbraw/zinc/76/45/92/929764592.db2.gz IXNZTCABQZKGAQ-MRXNPFEDSA-N 1 0 356.491 3.648 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)ccc1OC ZINC000157774676 929787753 /nfs/dbraw/zinc/78/77/53/929787753.db2.gz SOMAJVNFKNZMFD-NRFANRHFSA-N 1 0 359.441 3.787 20 30 FHEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001167337198 929990167 /nfs/dbraw/zinc/99/01/67/929990167.db2.gz JUGOEOAOCGJTKW-FGZHOGPDSA-N 1 0 369.553 3.808 20 30 FHEDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000610341077 930036327 /nfs/dbraw/zinc/03/63/27/930036327.db2.gz WIVGTPDIODQWPO-HZPDHXFCSA-N 1 0 369.440 3.820 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1nc2ccccc2s1 ZINC000610343977 930042282 /nfs/dbraw/zinc/04/22/82/930042282.db2.gz XQTJFRXXPWCVTO-CHWSQXEVSA-N 1 0 350.447 3.846 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610346088 930047306 /nfs/dbraw/zinc/04/73/06/930047306.db2.gz KEDOPYXELBYZFY-QWHCGFSZSA-N 1 0 352.825 3.761 20 30 FHEDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610345827 930050163 /nfs/dbraw/zinc/05/01/63/930050163.db2.gz YNVJCHIDZKWDER-QGZVFWFLSA-N 1 0 362.477 3.583 20 30 FHEDRO CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000610347590 930059301 /nfs/dbraw/zinc/05/93/01/930059301.db2.gz RFQNSWJLLJUGHT-XLIONFOSSA-N 1 0 356.514 3.675 20 30 FHEDRO COc1ccc([C@H](C[NH2+]Cc2cc(C#N)cs2)N2CCCCC2)cc1 ZINC000177680699 930064516 /nfs/dbraw/zinc/06/45/16/930064516.db2.gz IGFMDVGHGDBDLB-FQEVSTJZSA-N 1 0 355.507 3.945 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000155956703 937380682 /nfs/dbraw/zinc/38/06/82/937380682.db2.gz JJGPJWBEFDXQSV-INIZCTEOSA-N 1 0 370.522 3.806 20 30 FHEDRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351637 930088939 /nfs/dbraw/zinc/08/89/39/930088939.db2.gz BRHLTNIGYARQLT-LAUBAEHRSA-N 1 0 362.477 3.583 20 30 FHEDRO CC1(C(=O)Nc2cccc(OCC#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000275742121 930089830 /nfs/dbraw/zinc/08/98/30/930089830.db2.gz XHWAAAPRNAOANY-UHFFFAOYSA-N 1 0 363.461 3.830 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000560972678 930256550 /nfs/dbraw/zinc/25/65/50/930256550.db2.gz ZMVJJPCTZJNHPM-INIZCTEOSA-N 1 0 350.422 3.533 20 30 FHEDRO C[N@H+](CCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CCCCC1 ZINC000548064638 930268153 /nfs/dbraw/zinc/26/81/53/930268153.db2.gz QVEQOYLPQRASMC-NHCUHLMSSA-N 1 0 353.510 3.939 20 30 FHEDRO C=CCc1cc(C[NH2+]Cc2ccccc2NC(C)=O)cc(OC)c1OC ZINC000160421840 930367870 /nfs/dbraw/zinc/36/78/70/930367870.db2.gz MDFQOSYGFOBRFZ-UHFFFAOYSA-N 1 0 354.450 3.681 20 30 FHEDRO CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC000610400639 930369449 /nfs/dbraw/zinc/36/94/49/930369449.db2.gz BZYZPGNAPAOGKW-PXNSSMCTSA-N 1 0 356.514 3.819 20 30 FHEDRO C[C@@H]1C[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379677386 930530354 /nfs/dbraw/zinc/53/03/54/930530354.db2.gz CKDLFZFXSACPLA-QAPCUYQASA-N 1 0 350.422 3.931 20 30 FHEDRO COc1ccc(CC[N@@H+](Cc2cc(C#N)ccn2)CC(C)C)cc1OC ZINC001167382126 930533620 /nfs/dbraw/zinc/53/36/20/930533620.db2.gz VLDSCLMXLMWFCT-UHFFFAOYSA-N 1 0 353.466 3.671 20 30 FHEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N(C)Cc1ccccc1 ZINC000580355594 930566094 /nfs/dbraw/zinc/56/60/94/930566094.db2.gz FDZLANSIIGQIKI-IBGZPJMESA-N 1 0 362.521 3.637 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000548086157 930580704 /nfs/dbraw/zinc/58/07/04/930580704.db2.gz UZJOVERPJUHZMM-OAHLLOKOSA-N 1 0 351.425 3.653 20 30 FHEDRO C[C@H](NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1cccc(C#N)c1 ZINC000074918424 930600073 /nfs/dbraw/zinc/60/00/73/930600073.db2.gz IGMYIVYWYBYAJL-SFHVURJKSA-N 1 0 368.525 3.917 20 30 FHEDRO CCC[C@H]1CN(C(=O)c2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001266608897 930630448 /nfs/dbraw/zinc/63/04/48/930630448.db2.gz TWUZLZUXQJTVDG-IBGZPJMESA-N 1 0 365.452 3.824 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1sccc1C#N ZINC000135055775 930744696 /nfs/dbraw/zinc/74/46/96/930744696.db2.gz SSWMPKDNSBULPC-YJBOKZPZSA-N 1 0 353.491 3.602 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+]CCc2ccc(OC)cc2OC)cc1 ZINC000580514163 930787973 /nfs/dbraw/zinc/78/79/73/930787973.db2.gz JVDDOPYWFHMGRN-FQEVSTJZSA-N 1 0 354.450 3.890 20 30 FHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@]2(C#N)CC23CCCC3)CCC1 ZINC000580524254 930805923 /nfs/dbraw/zinc/80/59/23/930805923.db2.gz FHONOJGNDHMVDH-QFIPXVFZSA-N 1 0 351.494 3.631 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCCC)c2)cc1 ZINC000160587668 930986073 /nfs/dbraw/zinc/98/60/73/930986073.db2.gz DKJMGTFZFORDEZ-QGZVFWFLSA-N 1 0 350.462 3.689 20 30 FHEDRO N#Cc1csc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000580745895 931094344 /nfs/dbraw/zinc/09/43/44/931094344.db2.gz BRECGSMLEWWQBB-IEBWSBKVSA-N 1 0 352.507 3.501 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000177856763 931327788 /nfs/dbraw/zinc/32/77/88/931327788.db2.gz UMZYYGHSMZDQAS-ZDUSSCGKSA-N 1 0 352.413 3.832 20 30 FHEDRO N#CCC1(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000430526918 931349490 /nfs/dbraw/zinc/34/94/90/931349490.db2.gz HWMQVIQNXMOECZ-UHFFFAOYSA-N 1 0 354.498 3.556 20 30 FHEDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000580963712 931420847 /nfs/dbraw/zinc/42/08/47/931420847.db2.gz RQKFFKQFDARGAQ-UHFFFAOYSA-N 1 0 354.498 3.626 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000042346501 931535622 /nfs/dbraw/zinc/53/56/22/931535622.db2.gz RCYHSRMSFHBTKW-LJQANCHMSA-N 1 0 370.522 3.844 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)cc1OCCCC#N ZINC000064613787 931542756 /nfs/dbraw/zinc/54/27/56/931542756.db2.gz MVANEDCBSHPFAS-GOSISDBHSA-N 1 0 374.868 3.854 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610477870 931560796 /nfs/dbraw/zinc/56/07/96/931560796.db2.gz DIKDINLIXJGANY-UHFFFAOYSA-N 1 0 360.421 3.583 20 30 FHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000581218869 931694481 /nfs/dbraw/zinc/69/44/81/931694481.db2.gz BIBCPYQMOPRAKM-WOJBJXKFSA-N 1 0 365.525 3.679 20 30 FHEDRO CCC[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000581305531 931808758 /nfs/dbraw/zinc/80/87/58/931808758.db2.gz MHIMWGLGMLUTHL-WMLDXEAASA-N 1 0 358.313 3.631 20 30 FHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1sccc1C#N ZINC000126475743 931880599 /nfs/dbraw/zinc/88/05/99/931880599.db2.gz SLPKGFPXZQQWRM-UHFFFAOYSA-N 1 0 357.504 3.729 20 30 FHEDRO C=CCOCC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000581417490 932013966 /nfs/dbraw/zinc/01/39/66/932013966.db2.gz KUDHVPGTVAGNNX-UHFFFAOYSA-N 1 0 357.281 3.847 20 30 FHEDRO CC1CCN(Cc2csc(NC(=O)c3cccc4c3OCO4)n2)CC1 ZINC000328782743 932049299 /nfs/dbraw/zinc/04/92/99/932049299.db2.gz GFRHPEVSIGMMDY-UHFFFAOYSA-N 1 0 359.451 3.740 20 30 FHEDRO Cc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc(C)c1O ZINC000581456033 932088742 /nfs/dbraw/zinc/08/87/42/932088742.db2.gz MNPBACYGMZBESE-UHFFFAOYSA-N 1 0 351.450 3.756 20 30 FHEDRO CC1(C)CC[NH+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000328794552 932115116 /nfs/dbraw/zinc/11/51/16/932115116.db2.gz SPPRUFNDNHODAX-UHFFFAOYSA-N 1 0 363.546 3.636 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc(C#N)cs2)C1 ZINC000084181308 932204073 /nfs/dbraw/zinc/20/40/73/932204073.db2.gz HKBPXJQZHXAQGL-HNNXBMFYSA-N 1 0 353.491 3.782 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000157354301 932383757 /nfs/dbraw/zinc/38/37/57/932383757.db2.gz SXHJJJSICSKJNV-KRWDZBQOSA-N 1 0 372.490 3.688 20 30 FHEDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000510443682 932418506 /nfs/dbraw/zinc/41/85/06/932418506.db2.gz LSOAPEZJRZXXAV-UHFFFAOYSA-N 1 0 354.841 3.760 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933372193 932491615 /nfs/dbraw/zinc/49/16/15/932491615.db2.gz DZRSJJYBBBWISH-MAUKXSAKSA-N 1 0 373.522 3.568 20 30 FHEDRO C=CCCCCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000471700762 932644397 /nfs/dbraw/zinc/64/43/97/932644397.db2.gz LQNZFPHLZPPWHB-GOSISDBHSA-N 1 0 354.416 3.914 20 30 FHEDRO C=CCOc1ccc(C[N@@H+](Cc2cnc3n2CCOC3)C(C)(C)C)cc1 ZINC000891512687 932684290 /nfs/dbraw/zinc/68/42/90/932684290.db2.gz UVHJJBZHTCARIG-UHFFFAOYSA-N 1 0 355.482 3.779 20 30 FHEDRO CC1(C)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1c1ccccc1 ZINC000933513144 932753879 /nfs/dbraw/zinc/75/38/79/932753879.db2.gz NXKHLGCWFYLTPC-UXHICEINSA-N 1 0 356.510 3.573 20 30 FHEDRO N#Cc1cc(Cl)cc(C(=O)N2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001279108942 932767243 /nfs/dbraw/zinc/76/72/43/932767243.db2.gz YECPAVLYGGPWFN-UHFFFAOYSA-N 1 0 357.885 3.692 20 30 FHEDRO CC(C)N1CC[C@@H]([NH2+]CCOCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000559185716 932771452 /nfs/dbraw/zinc/77/14/52/932771452.db2.gz HRYYKDHDZLBPMU-QZTJIDSGSA-N 1 0 353.869 3.523 20 30 FHEDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1ncc(C#N)cc1Cl ZINC000891569596 932774639 /nfs/dbraw/zinc/77/46/39/932774639.db2.gz QAKPDNJIUCORPM-HNNXBMFYSA-N 1 0 370.884 3.820 20 30 FHEDRO N#CCC1(CNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000430688409 932960780 /nfs/dbraw/zinc/96/07/80/932960780.db2.gz XIOGHBAXJSDSCA-SFHVURJKSA-N 1 0 374.916 3.688 20 30 FHEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000135352304 933045439 /nfs/dbraw/zinc/04/54/39/933045439.db2.gz NUQYDBGHMDRLKZ-APWZRJJASA-N 1 0 365.481 3.583 20 30 FHEDRO C[C@@H]1CN(Cc2ccccc2NCc2cc(C#N)ccc2F)C[C@@H](C)O1 ZINC000178297986 933071415 /nfs/dbraw/zinc/07/14/15/933071415.db2.gz FKLXZDKIZGBFQW-HZPDHXFCSA-N 1 0 353.441 3.919 20 30 FHEDRO O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328889571 933119384 /nfs/dbraw/zinc/11/93/84/933119384.db2.gz QRPQZIVGJORRDQ-MRXNPFEDSA-N 1 0 373.888 3.631 20 30 FHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CSc1ccc(C#N)cc1)[NH+](C)C ZINC000510549471 933214000 /nfs/dbraw/zinc/21/40/00/933214000.db2.gz RKGMVIUCNGPRJY-IERDGZPVSA-N 1 0 367.518 3.766 20 30 FHEDRO C=CCOc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000510659813 933375698 /nfs/dbraw/zinc/37/56/98/933375698.db2.gz SUNMXJHNXZJVIU-IBGZPJMESA-N 1 0 353.466 3.546 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430927923 933415027 /nfs/dbraw/zinc/41/50/27/933415027.db2.gz SAJLZPWPEGWVPH-FPOVZHCZSA-N 1 0 358.526 3.523 20 30 FHEDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000510722229 933523011 /nfs/dbraw/zinc/52/30/11/933523011.db2.gz VUPGRLMXENTWMW-QAPCUYQASA-N 1 0 353.441 3.593 20 30 FHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610633485 933563220 /nfs/dbraw/zinc/56/32/20/933563220.db2.gz BCKXPKKUNDNASC-PMACEKPBSA-N 1 0 372.432 3.571 20 30 FHEDRO C=C(C)CC[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000510767914 933688877 /nfs/dbraw/zinc/68/88/77/933688877.db2.gz XJYULLVXDMBOAE-UHFFFAOYSA-N 1 0 356.304 3.997 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000431124432 933870857 /nfs/dbraw/zinc/87/08/57/933870857.db2.gz GMQFMPHMYOSKIZ-UHFFFAOYSA-N 1 0 367.497 3.678 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3n2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000610714389 933891537 /nfs/dbraw/zinc/89/15/37/933891537.db2.gz MQKONVMEDUZDEO-FXAWDEMLSA-N 1 0 372.472 3.558 20 30 FHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000610718040 933928534 /nfs/dbraw/zinc/92/85/34/933928534.db2.gz KIKWJXCVUUOMPC-JKSUJKDBSA-N 1 0 360.527 3.934 20 30 FHEDRO C[C@@](CO)([NH2+]Cc1ccc(F)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000610719808 933958808 /nfs/dbraw/zinc/95/88/08/933958808.db2.gz HHMMEFQPQZSFHH-KRWDZBQOSA-N 1 0 352.331 3.713 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000563027900 933981935 /nfs/dbraw/zinc/98/19/35/933981935.db2.gz ONWLMMQDRGQKEI-JENIJYKNSA-N 1 0 354.498 3.641 20 30 FHEDRO N#Cc1csc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000092709042 934141806 /nfs/dbraw/zinc/14/18/06/934141806.db2.gz FZNCOWFAPPECKH-AWEZNQCLSA-N 1 0 372.469 3.793 20 30 FHEDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000610771312 934146505 /nfs/dbraw/zinc/14/65/05/934146505.db2.gz PTLPJFITGUAVCJ-NZQKXSOJSA-N 1 0 364.489 3.946 20 30 FHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000247551969 934179166 /nfs/dbraw/zinc/17/91/66/934179166.db2.gz QAHCLLDUIXTJMB-DLBZAZTESA-N 1 0 365.502 3.999 20 30 FHEDRO CC1CC(C#N)(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535696238 934290291 /nfs/dbraw/zinc/29/02/91/934290291.db2.gz MVJUBUQDTIXRKH-TYFVMKPKSA-N 1 0 363.864 3.528 20 30 FHEDRO COc1ccc([C@H](C/N=C/c2cccc(OC)c2O)[NH+]2CCCC2)cc1 ZINC000022768436 934363240 /nfs/dbraw/zinc/36/32/40/934363240.db2.gz BKUNBEOFGRTATG-KWJZBXMYSA-N 1 0 354.450 3.665 20 30 FHEDRO Cc1cc(NC(=O)c2cccc(SCC#N)c2)ccc1OCC[NH+](C)C ZINC000458193015 934365815 /nfs/dbraw/zinc/36/58/15/934365815.db2.gz IPMVPQGNSZUOOV-UHFFFAOYSA-N 1 0 369.490 3.803 20 30 FHEDRO Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1OCC[NH+](C)C ZINC000458220071 934390743 /nfs/dbraw/zinc/39/07/43/934390743.db2.gz SFMIUEFGKHJKRJ-UHFFFAOYSA-N 1 0 363.461 3.743 20 30 FHEDRO CC(C)(CCC#N)C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000276992950 934428009 /nfs/dbraw/zinc/42/80/09/934428009.db2.gz IRMJAEKJKACDAS-CQSZACIVSA-N 1 0 353.304 3.520 20 30 FHEDRO N#CCN1CCC([NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000610813668 934476084 /nfs/dbraw/zinc/47/60/84/934476084.db2.gz OVQIKSRMRMFGLO-KRWDZBQOSA-N 1 0 370.497 3.904 20 30 FHEDRO Cc1cc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)ccc1C[NH+](C)C ZINC000458259557 934535820 /nfs/dbraw/zinc/53/58/20/934535820.db2.gz GVGLXBFEEKCIAM-UHFFFAOYSA-N 1 0 362.355 3.594 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000156599629 934552879 /nfs/dbraw/zinc/55/28/79/934552879.db2.gz PFVFCFCQCWWVIK-RDTXWAMCSA-N 1 0 358.873 3.692 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000458316860 934675112 /nfs/dbraw/zinc/67/51/12/934675112.db2.gz IFBYFZMWDPTERR-UHFFFAOYSA-N 1 0 361.917 3.755 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCc2ccncc2)c1 ZINC000181476622 934707690 /nfs/dbraw/zinc/70/76/90/934707690.db2.gz FYHZWSQABGHBQD-LJQANCHMSA-N 1 0 364.493 3.508 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC000145758409 934726502 /nfs/dbraw/zinc/72/65/02/934726502.db2.gz RJXNYGKWHWYZKD-JOCHJYFZSA-N 1 0 364.489 3.795 20 30 FHEDRO CCOC(=O)CCC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000610996783 934735688 /nfs/dbraw/zinc/73/56/88/934735688.db2.gz HSJUSEWJKHBXGD-UHFFFAOYSA-N 1 0 366.408 3.715 20 30 FHEDRO N#Cc1cc(Br)ccc1CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000320386447 934853168 /nfs/dbraw/zinc/85/31/68/934853168.db2.gz SNIGPWUZOYKDPH-KURKYZTESA-N 1 0 363.299 3.836 20 30 FHEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)N2CCCC2)o1 ZINC000262027077 934860313 /nfs/dbraw/zinc/86/03/13/934860313.db2.gz ZWQRNSKFXWLOQF-IBGZPJMESA-N 1 0 352.482 3.640 20 30 FHEDRO COc1cccc2c1ccnc2N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000450230370 934875050 /nfs/dbraw/zinc/87/50/50/934875050.db2.gz FOQSIBBSUPQVPK-UHFFFAOYSA-N 1 0 372.472 3.827 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000119625721 934934770 /nfs/dbraw/zinc/93/47/70/934934770.db2.gz DYVZGLMZBVLFJH-GOSISDBHSA-N 1 0 363.461 3.731 20 30 FHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000104167913 935004202 /nfs/dbraw/zinc/00/42/02/935004202.db2.gz IJPPVNWUSNVBCH-LJQANCHMSA-N 1 0 358.461 3.642 20 30 FHEDRO C=CCCn1cc(CNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)nn1 ZINC000657311629 935105499 /nfs/dbraw/zinc/10/54/99/935105499.db2.gz PTSGNIRFDFPLKO-SFHVURJKSA-N 1 0 353.514 3.518 20 30 FHEDRO Cc1ccc(/C=C/CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000084754555 935128779 /nfs/dbraw/zinc/12/87/79/935128779.db2.gz RKUPNWYDCNJAMJ-AATRIKPKSA-N 1 0 361.489 3.860 20 30 FHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)C12CCCCC2 ZINC001167538310 935150254 /nfs/dbraw/zinc/15/02/54/935150254.db2.gz BDVKZHQHSBVTTL-RTBURBONSA-N 1 0 355.482 3.556 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)c(OC(F)F)c1 ZINC000582041802 935162974 /nfs/dbraw/zinc/16/29/74/935162974.db2.gz RQDVPTQPLIRKOS-UHFFFAOYSA-N 1 0 350.409 3.798 20 30 FHEDRO C[N@@H+](Cc1cccc2ccccc21)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000051404168 935178168 /nfs/dbraw/zinc/17/81/68/935178168.db2.gz FTIUYEFXNPSPRX-OAQYLSRUSA-N 1 0 360.457 3.778 20 30 FHEDRO C=CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(OC)cc1 ZINC000438833216 945084504 /nfs/dbraw/zinc/08/45/04/945084504.db2.gz GYRYPGZSKTYQES-UHFFFAOYSA-N 1 0 360.404 3.990 20 30 FHEDRO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@@H]1CCCOC1 ZINC000119791597 935222937 /nfs/dbraw/zinc/22/29/37/935222937.db2.gz ZTDUSOMKZDQLMG-NRFANRHFSA-N 1 0 350.462 3.996 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@H](C)CCc2ccc(Br)cc2)nn1 ZINC000657326392 935224053 /nfs/dbraw/zinc/22/40/53/935224053.db2.gz MNIQRBWDDDOONH-CQSZACIVSA-N 1 0 363.303 3.728 20 30 FHEDRO CC(C)OCC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472158217 935234712 /nfs/dbraw/zinc/23/47/12/935234712.db2.gz PZOCYOYKNQCFAC-JOCHJYFZSA-N 1 0 370.468 3.876 20 30 FHEDRO C#CC[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000366752606 945088649 /nfs/dbraw/zinc/08/86/49/945088649.db2.gz AXJABLOZBREAPO-HBFSDRIKSA-N 1 0 367.518 3.805 20 30 FHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](CCCC#N)c3ccccc3)C2)C1 ZINC000458854172 945089457 /nfs/dbraw/zinc/08/94/57/945089457.db2.gz XBOHXRPWTYMVEU-TZIWHRDSSA-N 1 0 354.498 3.549 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(CO)c1 ZINC000121774490 935298890 /nfs/dbraw/zinc/29/88/90/935298890.db2.gz BBAYRVFSQBDGMK-HNAYVOBHSA-N 1 0 353.441 3.509 20 30 FHEDRO N#Cc1cccc(C2([NH2+]CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000551713536 935333278 /nfs/dbraw/zinc/33/32/78/935333278.db2.gz CNEMBMQXGQKYFJ-UHFFFAOYSA-N 1 0 374.400 3.943 20 30 FHEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000540186997 935378204 /nfs/dbraw/zinc/37/82/04/935378204.db2.gz QDZAXIMVJRPPOC-YLJYHZDGSA-N 1 0 365.433 3.846 20 30 FHEDRO C=CCCn1cc(CNCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)nn1 ZINC000657369864 935419464 /nfs/dbraw/zinc/41/94/64/935419464.db2.gz HQXAOFFTQQCNGW-SFHVURJKSA-N 1 0 353.514 3.607 20 30 FHEDRO C[C@]12C[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000582281891 935485858 /nfs/dbraw/zinc/48/58/58/935485858.db2.gz LIKPAOCGHMPAKA-IWLVTHKOSA-N 1 0 361.493 3.727 20 30 FHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC001167562666 935513737 /nfs/dbraw/zinc/51/37/37/935513737.db2.gz ORUGJJGGOKVGEF-MAUKXSAKSA-N 1 0 373.497 3.692 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000178572175 935592733 /nfs/dbraw/zinc/59/27/33/935592733.db2.gz UPGKOXWYENGTTL-MRXNPFEDSA-N 1 0 368.506 3.962 20 30 FHEDRO N#Cc1ccccc1N1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000506397454 945112764 /nfs/dbraw/zinc/11/27/64/945112764.db2.gz VGFMLAYWQVVADA-UHFFFAOYSA-N 1 0 354.457 3.942 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000178567789 935627626 /nfs/dbraw/zinc/62/76/26/935627626.db2.gz FMXSFKFANOQCQN-KRWDZBQOSA-N 1 0 362.477 3.995 20 30 FHEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCC(C)(C)CC1 ZINC000127611891 935654403 /nfs/dbraw/zinc/65/44/03/935654403.db2.gz VYOSGCVGAIKGKX-UHFFFAOYSA-N 1 0 365.481 3.583 20 30 FHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C)Oc3ccccc3C#N)c2C1 ZINC000158281078 935683651 /nfs/dbraw/zinc/68/36/51/935683651.db2.gz DTESXKKASGKVCD-INIZCTEOSA-N 1 0 363.461 3.936 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2cc(C#N)cs2)C1 ZINC000892260719 935685440 /nfs/dbraw/zinc/68/54/40/935685440.db2.gz QMBSEYKONWQTNZ-QAPCUYQASA-N 1 0 368.506 3.597 20 30 FHEDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1sccc1C#N)CCC2 ZINC000152580539 935757113 /nfs/dbraw/zinc/75/71/13/935757113.db2.gz PHRYFSVZPOMZRS-CQSZACIVSA-N 1 0 374.535 3.977 20 30 FHEDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000159064708 935791860 /nfs/dbraw/zinc/79/18/60/935791860.db2.gz JEHULGZGNOROLD-HXUWFJFHSA-N 1 0 354.498 3.596 20 30 FHEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000582553879 935826117 /nfs/dbraw/zinc/82/61/17/935826117.db2.gz XUDULRMJEXIYJN-UHFFFAOYSA-N 1 0 357.502 3.509 20 30 FHEDRO Cc1ccc2nc(C)c(C(=O)NCC3([NH+]4CCCC4)CCOCC3)cc2c1 ZINC000329079173 935834203 /nfs/dbraw/zinc/83/42/03/935834203.db2.gz BWFGSVZVNOXFNM-UHFFFAOYSA-N 1 0 367.493 3.801 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000375716876 935835900 /nfs/dbraw/zinc/83/59/00/935835900.db2.gz DPYFNMFZCUIMKI-CTNGQTDRSA-N 1 0 369.509 3.811 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000237223474 935845618 /nfs/dbraw/zinc/84/56/18/935845618.db2.gz VHSMZGPCCPPHST-QGZVFWFLSA-N 1 0 353.462 3.827 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000562137753 935906005 /nfs/dbraw/zinc/90/60/05/935906005.db2.gz VLYSGUQYCPRDBA-JXFKEZNVSA-N 1 0 350.466 3.988 20 30 FHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000472248513 935983160 /nfs/dbraw/zinc/98/31/60/935983160.db2.gz XAJWCZMOFJJROT-HNNXBMFYSA-N 1 0 361.452 3.829 20 30 FHEDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc(C(F)(F)F)c(C#N)n3)cccc21 ZINC000548759399 936008687 /nfs/dbraw/zinc/00/86/87/936008687.db2.gz UIKFPIVLEFDFAN-HNNXBMFYSA-N 1 0 362.355 3.523 20 30 FHEDRO N#Cc1cccc(-c2nnc(C[N@@H+](CCc3cccc(F)c3)C3CC3)o2)c1 ZINC000075743824 936011568 /nfs/dbraw/zinc/01/15/68/936011568.db2.gz BOUFANOTKQBXJL-UHFFFAOYSA-N 1 0 362.408 3.954 20 30 FHEDRO CN1CCC(C/N=C\c2c(O)ccc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000255547908 936084729 /nfs/dbraw/zinc/08/47/29/936084729.db2.gz YAAQSNDCYYDAJG-ULJHMMPZSA-N 1 0 365.521 3.915 20 30 FHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438848394 945152056 /nfs/dbraw/zinc/15/20/56/945152056.db2.gz HRPAMCRGTSZXIO-VQTJNVASSA-N 1 0 356.514 3.985 20 30 FHEDRO CC(C)(C)OC(=O)C1(Nc2nc3ccccc3cc2C#N)CCC([NH3+])CC1 ZINC001167639677 936305024 /nfs/dbraw/zinc/30/50/24/936305024.db2.gz MIIHAWNPPJGSKB-UHFFFAOYSA-N 1 0 366.465 3.500 20 30 FHEDRO O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329137306 938266383 /nfs/dbraw/zinc/26/63/83/938266383.db2.gz DEGAYWDIMQQXRN-CQSZACIVSA-N 1 0 364.873 3.627 20 30 FHEDRO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)C1 ZINC000329189680 938284467 /nfs/dbraw/zinc/28/44/67/938284467.db2.gz RPCYNCRVOSDJRK-PMACEKPBSA-N 1 0 371.525 3.739 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000052406893 938289489 /nfs/dbraw/zinc/28/94/89/938289489.db2.gz DFDKCMLZNDKZLT-UHFFFAOYSA-N 1 0 350.422 3.851 20 30 FHEDRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329220761 938292829 /nfs/dbraw/zinc/29/28/29/938292829.db2.gz UCFGDVLJXMJNGQ-KBPBESRZSA-N 1 0 361.442 3.613 20 30 FHEDRO C=CCC[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)C1CC1 ZINC000583535664 938296061 /nfs/dbraw/zinc/29/60/61/938296061.db2.gz XJUOWZUVDYLDFX-LJQANCHMSA-N 1 0 367.493 3.890 20 30 FHEDRO C=CC[C@H](C)NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245648849 938309391 /nfs/dbraw/zinc/30/93/91/938309391.db2.gz BWWJBGACWBLPHG-QEORTHHSSA-N 1 0 353.869 3.736 20 30 FHEDRO Cc1nc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000329272257 938309801 /nfs/dbraw/zinc/30/98/01/938309801.db2.gz AEDLHJAQDUTHBL-VNHYZAJKSA-N 1 0 350.532 3.669 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245696827 938311397 /nfs/dbraw/zinc/31/13/97/938311397.db2.gz BDWZIRQQVOUJLW-PMPSAXMXSA-N 1 0 358.511 3.639 20 30 FHEDRO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329294321 938331082 /nfs/dbraw/zinc/33/10/82/938331082.db2.gz OENCTIVQJBBNLA-QGZVFWFLSA-N 1 0 371.481 3.834 20 30 FHEDRO C=C(C)CNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000157297268 938337558 /nfs/dbraw/zinc/33/75/58/938337558.db2.gz DJJJCQMVTOGBHL-UHFFFAOYSA-N 1 0 358.486 3.589 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2cc[nH]c(=O)c2c1)C(C)C ZINC000425758166 945170968 /nfs/dbraw/zinc/17/09/68/945170968.db2.gz UQDAJVPBONJZPE-IBGZPJMESA-N 1 0 368.481 3.761 20 30 FHEDRO CC[C@@](C)(C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)OC ZINC000926521061 938359941 /nfs/dbraw/zinc/35/99/41/938359941.db2.gz XOAUUENNQSCLLW-LPHOPBHVSA-N 1 0 367.534 3.711 20 30 FHEDRO COc1ccccc1NC(=O)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000157582039 938392027 /nfs/dbraw/zinc/39/20/27/938392027.db2.gz WTEWAQCOHBWQRW-UHFFFAOYSA-N 1 0 366.436 3.537 20 30 FHEDRO CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000583799798 938419101 /nfs/dbraw/zinc/41/91/01/938419101.db2.gz BYGBDZXNOIZFQE-SJLPKXTDSA-N 1 0 368.868 3.821 20 30 FHEDRO CN(C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000583799797 938419199 /nfs/dbraw/zinc/41/91/99/938419199.db2.gz BYGBDZXNOIZFQE-FUHWJXTLSA-N 1 0 368.868 3.821 20 30 FHEDRO CC[N@H+](CCNC(=O)c1ccc(F)cc1C(F)(F)F)CCC(F)(F)F ZINC000427202689 945173330 /nfs/dbraw/zinc/17/33/30/945173330.db2.gz DDGNSLMTUBGHOD-UHFFFAOYSA-N 1 0 374.300 3.849 20 30 FHEDRO CN(C)[C@@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1 ZINC000178997545 938465717 /nfs/dbraw/zinc/46/57/17/938465717.db2.gz UPZMRHCTPSMXFD-GOSISDBHSA-N 1 0 362.458 3.923 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000437247025 945178347 /nfs/dbraw/zinc/17/83/47/945178347.db2.gz WUPKEJRSVDHKMS-FXAWDEMLSA-N 1 0 355.434 3.804 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C12CCCC2 ZINC000329569881 938489103 /nfs/dbraw/zinc/48/91/03/938489103.db2.gz IMEMEOAEFWNXRI-ZOCIIQOWSA-N 1 0 374.481 3.762 20 30 FHEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000583960905 938505871 /nfs/dbraw/zinc/50/58/71/938505871.db2.gz AFYJHLFEYUJSPZ-QWHZDKJVSA-N 1 0 366.427 3.587 20 30 FHEDRO CC[N@H+](C[C@H](O)COCc1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340455 938532422 /nfs/dbraw/zinc/53/24/22/938532422.db2.gz DTXANYBIGFQYFT-JXFKEZNVSA-N 1 0 356.441 3.658 20 30 FHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458795334 938595996 /nfs/dbraw/zinc/59/59/96/938595996.db2.gz CIUULFDCKFXDSD-HXUWFJFHSA-N 1 0 368.481 3.788 20 30 FHEDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000329674713 938603218 /nfs/dbraw/zinc/60/32/18/938603218.db2.gz VNEVXWCFZAFKNN-OHQAAIJDSA-N 1 0 355.482 3.629 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000077498330 938610896 /nfs/dbraw/zinc/61/08/96/938610896.db2.gz RIORQIAZXPDSMD-KSSFIOAISA-N 1 0 352.413 3.654 20 30 FHEDRO Cc1cccc([C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)N2CCOCC2)c1 ZINC000584142755 938618467 /nfs/dbraw/zinc/61/84/67/938618467.db2.gz QQQYLJJZKSRMAC-XZOQPEGZSA-N 1 0 361.489 3.517 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000159341874 938660044 /nfs/dbraw/zinc/66/00/44/938660044.db2.gz GUTVPNVZJKDQAB-GOSISDBHSA-N 1 0 357.498 3.629 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000052931229 938662988 /nfs/dbraw/zinc/66/29/88/938662988.db2.gz FIPBECBXFGEDPT-JOCHJYFZSA-N 1 0 373.500 3.963 20 30 FHEDRO Oc1ccc(Cl)cc1/C=N\C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000588592101 938673720 /nfs/dbraw/zinc/67/37/20/938673720.db2.gz RTAGTIWTETVHNS-JJUBJSHISA-N 1 0 358.869 3.756 20 30 FHEDRO CCC1(CC)[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1OC ZINC000278726574 938688973 /nfs/dbraw/zinc/68/89/73/938688973.db2.gz TZSJEUOGQRHNJM-RTBURBONSA-N 1 0 367.497 3.542 20 30 FHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000584344893 938693061 /nfs/dbraw/zinc/69/30/61/938693061.db2.gz KZGQWWAZAAFGIV-HDYDNRTBSA-N 1 0 362.477 3.575 20 30 FHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000584344894 938693108 /nfs/dbraw/zinc/69/31/08/938693108.db2.gz KZGQWWAZAAFGIV-XEVCZEQESA-N 1 0 362.477 3.575 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000657851082 938782128 /nfs/dbraw/zinc/78/21/28/938782128.db2.gz LKXFYWFLOVYKLP-NRSPTQNISA-N 1 0 356.510 3.820 20 30 FHEDRO N#C[C@@]1(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCc2ccccc2C1 ZINC000584385295 938793346 /nfs/dbraw/zinc/79/33/46/938793346.db2.gz CQTVOGZLQXRCHP-XMMPIXPASA-N 1 0 373.500 3.854 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2c(s1)CCC2 ZINC000507409919 945214149 /nfs/dbraw/zinc/21/41/49/945214149.db2.gz XOFABHDJNPYEKM-RDTXWAMCSA-N 1 0 365.502 3.955 20 30 FHEDRO C[N@@H+]1CC[C@H](CNC(=O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000278768746 938851413 /nfs/dbraw/zinc/85/14/13/938851413.db2.gz OGVWMBJYFVOQQC-CXAGYDPISA-N 1 0 351.853 3.528 20 30 FHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511823523 945209796 /nfs/dbraw/zinc/20/97/96/945209796.db2.gz QTSXGNAFWMSYPS-IAGOWNOFSA-N 1 0 367.415 3.693 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc(F)cc1 ZINC000278769813 938868982 /nfs/dbraw/zinc/86/89/82/938868982.db2.gz YCXFTKIJRRAKHC-INIZCTEOSA-N 1 0 363.440 3.891 20 30 FHEDRO Cc1ccc(-n2cc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cn2)c(C)c1 ZINC000329821190 938905557 /nfs/dbraw/zinc/90/55/57/938905557.db2.gz GSYRGLTXDQQTRA-LJQANCHMSA-N 1 0 367.497 3.595 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(-c2ccc(F)cc2)cc1 ZINC000093918841 938932078 /nfs/dbraw/zinc/93/20/78/938932078.db2.gz CHUYWGJXZCIKHZ-CVEARBPZSA-N 1 0 353.441 3.904 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@H]1C ZINC000458801079 938944953 /nfs/dbraw/zinc/94/49/53/938944953.db2.gz MJVCSJREIVVBFA-YZGWKJHDSA-N 1 0 356.514 3.936 20 30 FHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458802714 938959898 /nfs/dbraw/zinc/95/98/98/938959898.db2.gz PWJGSWCEBZWJLM-FPOVZHCZSA-N 1 0 368.525 3.795 20 30 FHEDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@H]1c1cccc(F)c1 ZINC000472327415 938970941 /nfs/dbraw/zinc/97/09/41/938970941.db2.gz LRUITVSBZWJVIB-QFIXIFRTSA-N 1 0 354.425 3.520 20 30 FHEDRO CCc1c(C)sc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001125718266 938977400 /nfs/dbraw/zinc/97/74/00/938977400.db2.gz VXMVNFXJZCVKHU-MRXNPFEDSA-N 1 0 353.491 3.951 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000171721537 938990045 /nfs/dbraw/zinc/99/00/45/938990045.db2.gz BWWYZHCYOKGLTG-DLBZAZTESA-N 1 0 352.400 3.576 20 30 FHEDRO N#CCc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000544070050 938991981 /nfs/dbraw/zinc/99/19/81/938991981.db2.gz DEXFIDHCUKKJMQ-NRFANRHFSA-N 1 0 362.477 3.929 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cnccc2C)c1C ZINC000611938207 938993783 /nfs/dbraw/zinc/99/37/83/938993783.db2.gz BNDWYOSXCYZVEG-SFHVURJKSA-N 1 0 350.466 3.604 20 30 FHEDRO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000780514084 938996976 /nfs/dbraw/zinc/99/69/76/938996976.db2.gz AKEXPJVNRKLPFR-SFHVURJKSA-N 1 0 366.427 3.980 20 30 FHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCCc3nc(C#N)ccc32)cc1)C(C)C ZINC000892406867 939000216 /nfs/dbraw/zinc/00/02/16/939000216.db2.gz RKZHBAVJSRKZHJ-UHFFFAOYSA-N 1 0 362.477 3.777 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)cc1OC ZINC000685629182 939006244 /nfs/dbraw/zinc/00/62/44/939006244.db2.gz QXFULESHMREUEC-HXUWFJFHSA-N 1 0 359.491 3.899 20 30 FHEDRO CC[C@H](CNC(=[NH2+])Nc1ccccn1)Oc1ccccc1C(F)(F)F ZINC000176948608 939017015 /nfs/dbraw/zinc/01/70/15/939017015.db2.gz GEOKVTKEEUWJDI-GFCCVEGCSA-N 1 0 352.360 3.685 20 30 FHEDRO CC[C@@H](CNC(=[NH2+])Nc1ccccn1)Oc1ccccc1C(F)(F)F ZINC000176948595 939017040 /nfs/dbraw/zinc/01/70/40/939017040.db2.gz GEOKVTKEEUWJDI-LBPRGKRZSA-N 1 0 352.360 3.685 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612037652 939023333 /nfs/dbraw/zinc/02/33/33/939023333.db2.gz YUVCUVDNQNBLFH-ILWGZMRPSA-N 1 0 374.488 3.980 20 30 FHEDRO N#CCC[C@@H](C#N)C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000612049638 939027409 /nfs/dbraw/zinc/02/74/09/939027409.db2.gz ZIXYYQWTLMJYOB-AWEZNQCLSA-N 1 0 365.308 3.991 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@](C)(C#N)C2)c2cccs2)CC1 ZINC000612091882 939049690 /nfs/dbraw/zinc/04/96/90/939049690.db2.gz YAMKPTWQTZHEAH-FXAWDEMLSA-N 1 0 374.554 3.856 20 30 FHEDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1F ZINC000507423421 945226756 /nfs/dbraw/zinc/22/67/56/945226756.db2.gz DAZRDWSRLVTUEU-UXHICEINSA-N 1 0 351.425 3.934 20 30 FHEDRO N#Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612131203 939117045 /nfs/dbraw/zinc/11/70/45/939117045.db2.gz SQPVHQNYWLQFNN-CEXWTWQISA-N 1 0 365.502 3.650 20 30 FHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000179473718 939171061 /nfs/dbraw/zinc/17/10/61/939171061.db2.gz MHBPOHATSNUEMQ-ROUUACIJSA-N 1 0 354.841 3.779 20 30 FHEDRO Cc1nn(-c2ccccc2)c(CN(C)C[C@H](C)c2nccs2)c1C#N ZINC000612187945 939221485 /nfs/dbraw/zinc/22/14/85/939221485.db2.gz ZRCSXSITDLIAJP-AWEZNQCLSA-N 1 0 351.479 3.744 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000188402796 939225427 /nfs/dbraw/zinc/22/54/27/939225427.db2.gz YAMXLORUESKIFJ-UHFFFAOYSA-N 1 0 373.500 3.679 20 30 FHEDRO [NH2+]=C(NCC1(Cc2ccc(F)cc2)CC1)N[C@H]1CCOc2ccccc21 ZINC000261963653 945266805 /nfs/dbraw/zinc/26/68/05/945266805.db2.gz AGSMCVOIGISFRF-SFHVURJKSA-N 1 0 353.441 3.577 20 30 FHEDRO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC000179553048 939887395 /nfs/dbraw/zinc/88/73/95/939887395.db2.gz QBKCPTSXTPYZLW-UHFFFAOYSA-N 1 0 365.477 3.612 20 30 FHEDRO COc1cc(C)c([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000179626805 939897886 /nfs/dbraw/zinc/89/78/86/939897886.db2.gz UZFPYPMCZMLJIC-HNNXBMFYSA-N 1 0 367.449 3.563 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000364536076 939960183 /nfs/dbraw/zinc/96/01/83/939960183.db2.gz HVGUIFRJPIIAMB-AWEZNQCLSA-N 1 0 352.438 3.547 20 30 FHEDRO Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(c3ccc(C#N)cc3)CC1)CCC2 ZINC000375884017 940018678 /nfs/dbraw/zinc/01/86/78/940018678.db2.gz FYFCJQIUSIMEIR-IBGZPJMESA-N 1 0 352.507 3.959 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCc2cccnc21 ZINC000364998551 940041449 /nfs/dbraw/zinc/04/14/49/940041449.db2.gz MMXYJHNYMWSLQT-INIZCTEOSA-N 1 0 354.479 3.743 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc2ccccc2c1 ZINC000065930097 940079345 /nfs/dbraw/zinc/07/93/45/940079345.db2.gz LWVWHSJNOLQNFE-UHFFFAOYSA-N 1 0 371.484 3.844 20 30 FHEDRO Cc1ccc(OCC[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000179891487 940084413 /nfs/dbraw/zinc/08/44/13/940084413.db2.gz SYNIWYPDNLSBFW-UHFFFAOYSA-N 1 0 360.461 3.778 20 30 FHEDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000365303591 940117174 /nfs/dbraw/zinc/11/71/74/940117174.db2.gz ATHLIJLHNOQEGQ-NRFANRHFSA-N 1 0 362.477 3.858 20 30 FHEDRO Cc1nnc(-c2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)o1 ZINC000179924688 940132659 /nfs/dbraw/zinc/13/26/59/940132659.db2.gz YOTWEZXCHAMGNX-UHFFFAOYSA-N 1 0 373.460 3.993 20 30 FHEDRO CN(C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000365370919 940134306 /nfs/dbraw/zinc/13/43/06/940134306.db2.gz FQKCYVGRSUIIOM-UHFFFAOYSA-N 1 0 369.856 3.739 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000413811465 940140442 /nfs/dbraw/zinc/14/04/42/940140442.db2.gz BFNSCCKRONXXPF-NRFANRHFSA-N 1 0 355.526 3.691 20 30 FHEDRO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000612588047 940164535 /nfs/dbraw/zinc/16/45/35/940164535.db2.gz NLBPDGCTQDAZFD-QGZVFWFLSA-N 1 0 367.880 3.854 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(F)c1 ZINC000413910703 940269282 /nfs/dbraw/zinc/26/92/82/940269282.db2.gz GLVRUPUFZNWGCO-UHFFFAOYSA-N 1 0 369.440 3.820 20 30 FHEDRO Cn1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180029587 940277491 /nfs/dbraw/zinc/27/74/91/940277491.db2.gz IPXYVIIDJPZULQ-KRWDZBQOSA-N 1 0 363.490 3.795 20 30 FHEDRO N#Cc1ccc(OCC[NH2+]Cc2ccc(Sc3ccccn3)o2)cc1 ZINC000511383737 940293536 /nfs/dbraw/zinc/29/35/36/940293536.db2.gz XZSRZYNWUCWMPU-UHFFFAOYSA-N 1 0 351.431 3.866 20 30 FHEDRO NC(=NOCc1cccnc1Cl)c1cccc(C[NH+]2CCCCC2)c1 ZINC000104056353 945311319 /nfs/dbraw/zinc/31/13/19/945311319.db2.gz MGJKWURGYAWFIZ-UHFFFAOYSA-N 1 0 358.873 3.558 20 30 FHEDRO C=CCC[C@@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000612895425 940331994 /nfs/dbraw/zinc/33/19/94/940331994.db2.gz DBRKRKAFUOTTAE-NVXWUHKLSA-N 1 0 355.404 3.764 20 30 FHEDRO C=CCC[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000612895427 940332016 /nfs/dbraw/zinc/33/20/16/940332016.db2.gz DBRKRKAFUOTTAE-WBVHZDCISA-N 1 0 355.404 3.764 20 30 FHEDRO CN(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCCC1 ZINC000180054031 940348140 /nfs/dbraw/zinc/34/81/40/940348140.db2.gz YHIDQCSHICHWJU-OAQYLSRUSA-N 1 0 365.525 3.559 20 30 FHEDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000519610136 945317823 /nfs/dbraw/zinc/31/78/23/945317823.db2.gz SHOMNZHWQMQLNM-WQVCFCJDSA-N 1 0 353.388 3.636 20 30 FHEDRO COc1cc(C#N)ccc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000548973982 940395302 /nfs/dbraw/zinc/39/53/02/940395302.db2.gz GBFNOHOGNQMOLH-QGZVFWFLSA-N 1 0 372.856 3.645 20 30 FHEDRO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)cc1OC ZINC000376162715 940399097 /nfs/dbraw/zinc/39/90/97/940399097.db2.gz NRPITLXEKCKPSW-HCXYKTFWSA-N 1 0 372.509 3.811 20 30 FHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000177745689 940403821 /nfs/dbraw/zinc/40/38/21/940403821.db2.gz YBSQRXYUWOJVAZ-SFHVURJKSA-N 1 0 373.294 3.965 20 30 FHEDRO CCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000180083557 940441743 /nfs/dbraw/zinc/44/17/43/940441743.db2.gz XQXAPBCXPGTBGI-FQEVSTJZSA-N 1 0 352.482 3.740 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000580054391 940444460 /nfs/dbraw/zinc/44/44/60/940444460.db2.gz PDNZOFFLJKXCIJ-NRFANRHFSA-N 1 0 366.509 3.596 20 30 FHEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000310701031 940451218 /nfs/dbraw/zinc/45/12/18/940451218.db2.gz FTPGRLPEMUIKBR-KURKYZTESA-N 1 0 352.519 3.737 20 30 FHEDRO C[C@H]1CC(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000548993556 940456615 /nfs/dbraw/zinc/45/66/15/940456615.db2.gz ONDOOZLMAUPMJP-HOTGVXAUSA-N 1 0 352.482 3.642 20 30 FHEDRO CC1(C2CC2)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000580133481 940464146 /nfs/dbraw/zinc/46/41/46/940464146.db2.gz LXXSPVXLWIUOMY-UHFFFAOYSA-N 1 0 357.523 3.949 20 30 FHEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000580475307 940476263 /nfs/dbraw/zinc/47/62/63/940476263.db2.gz NWJXGOPBXQJHAX-HXUWFJFHSA-N 1 0 369.484 3.642 20 30 FHEDRO C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC12CCCCC2 ZINC000613188786 940480804 /nfs/dbraw/zinc/48/08/04/940480804.db2.gz DSVUFKGWYVRAIM-AZUAARDMSA-N 1 0 356.510 3.785 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000177929872 940485888 /nfs/dbraw/zinc/48/58/88/940485888.db2.gz RHFRKPGENMBYBA-IBGZPJMESA-N 1 0 372.468 3.759 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000581101467 940493623 /nfs/dbraw/zinc/49/36/23/940493623.db2.gz IDXDZVXWSSMGIX-DNVCBOLYSA-N 1 0 366.440 3.872 20 30 FHEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000545296722 940499830 /nfs/dbraw/zinc/49/98/30/940499830.db2.gz ZOSXCOZLBHWFPA-QGZVFWFLSA-N 1 0 372.856 3.645 20 30 FHEDRO C=CCN(CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000173197963 940594994 /nfs/dbraw/zinc/59/49/94/940594994.db2.gz QZUYMCKMECCJNU-UHFFFAOYSA-N 1 0 351.475 3.929 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1 ZINC000173276471 940607132 /nfs/dbraw/zinc/60/71/32/940607132.db2.gz UMMYSYVABSDGRC-UHFFFAOYSA-N 1 0 371.525 3.639 20 30 FHEDRO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000581828711 940619923 /nfs/dbraw/zinc/61/99/23/940619923.db2.gz NBAYOVDMIKHHJB-UXHICEINSA-N 1 0 360.461 3.884 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)c1cnn(-c2ccncc2)c1 ZINC001125979047 945335105 /nfs/dbraw/zinc/33/51/05/945335105.db2.gz DHTWKJSPQWLTRA-CQSZACIVSA-N 1 0 363.446 3.771 20 30 FHEDRO C[NH+](C)Cc1cccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000431807994 940622109 /nfs/dbraw/zinc/62/21/09/940622109.db2.gz AAXVRDUBDHABGH-OAQYLSRUSA-N 1 0 364.493 3.983 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)NC3CCCCC3)CC1)CC2 ZINC000581973648 940635800 /nfs/dbraw/zinc/63/58/00/940635800.db2.gz XJGFODGCQHSRDQ-OAQYLSRUSA-N 1 0 366.509 3.642 20 30 FHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C ZINC000582391004 940668939 /nfs/dbraw/zinc/66/89/39/940668939.db2.gz JORFTUYEPSYBGM-DLBZAZTESA-N 1 0 363.889 3.676 20 30 FHEDRO CN1C(=O)CC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000329972694 940771611 /nfs/dbraw/zinc/77/16/11/940771611.db2.gz WIMGSGUQDZISQM-IBGZPJMESA-N 1 0 357.498 3.528 20 30 FHEDRO Cn1cc(C[NH2+]C[C@H]2CCOc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000180185025 940782935 /nfs/dbraw/zinc/78/29/35/940782935.db2.gz DNPFBQQKPXCJGD-GOSISDBHSA-N 1 0 358.445 3.615 20 30 FHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c(C#N)c1C ZINC000582663849 940794426 /nfs/dbraw/zinc/79/44/26/940794426.db2.gz IZRAFQVLOFLOQB-LEWSCRJBSA-N 1 0 357.376 3.806 20 30 FHEDRO Cn1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180200848 940802106 /nfs/dbraw/zinc/80/21/06/940802106.db2.gz GBCJGFYEUHRNMT-OAQYLSRUSA-N 1 0 364.493 3.882 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000180282397 940917479 /nfs/dbraw/zinc/91/74/79/940917479.db2.gz FRJFNOCURDAXSK-TWKFVSLJSA-N 1 0 356.491 3.908 20 30 FHEDRO CCC1(CC)[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1OC ZINC000180301914 940932415 /nfs/dbraw/zinc/93/24/15/940932415.db2.gz HDLMNZUNCIINJJ-RTBURBONSA-N 1 0 352.482 3.642 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000249196403 940934055 /nfs/dbraw/zinc/93/40/55/940934055.db2.gz RBSGGGAJYIEOLF-LESCRADOSA-N 1 0 355.400 3.833 20 30 FHEDRO N#CCSc1cccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000176008880 940966869 /nfs/dbraw/zinc/96/68/69/940966869.db2.gz HWMDVMBMRFAZQF-UHFFFAOYSA-N 1 0 365.502 3.828 20 30 FHEDRO C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330122234 945365855 /nfs/dbraw/zinc/36/58/55/945365855.db2.gz ABXJRJZFHCUHOT-IUSZMWJPSA-N 1 0 366.465 3.598 20 30 FHEDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000180333782 940978396 /nfs/dbraw/zinc/97/83/96/940978396.db2.gz NQZNOUFKPKUOPR-UHFFFAOYSA-N 1 0 363.461 3.936 20 30 FHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000180358046 940983371 /nfs/dbraw/zinc/98/33/71/940983371.db2.gz QYQYLGNZKLQFQQ-UHFFFAOYSA-N 1 0 356.882 3.882 20 30 FHEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659029016 941031032 /nfs/dbraw/zinc/03/10/32/941031032.db2.gz FLXZBYUOFWDGJD-FQEVSTJZSA-N 1 0 369.440 3.707 20 30 FHEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)cc(OC(F)(F)F)c2)C1 ZINC001143472668 941032169 /nfs/dbraw/zinc/03/21/69/941032169.db2.gz SNQIJYXAPVFIQU-HNNXBMFYSA-N 1 0 372.387 3.770 20 30 FHEDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(C)cc(C#N)cc3C)CC2)nc1 ZINC001167705121 941086471 /nfs/dbraw/zinc/08/64/71/941086471.db2.gz ILAPQAQGHLPDAB-UHFFFAOYSA-N 1 0 362.477 3.729 20 30 FHEDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000542124995 941106229 /nfs/dbraw/zinc/10/62/29/941106229.db2.gz DIARQEHLMWTCOP-QWHCGFSZSA-N 1 0 368.506 3.744 20 30 FHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1Br ZINC000181121554 941109970 /nfs/dbraw/zinc/10/99/70/941109970.db2.gz COJYDTPOPZFNBD-INIZCTEOSA-N 1 0 350.304 3.627 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177499064 941129749 /nfs/dbraw/zinc/12/97/49/941129749.db2.gz IHBDRUVMPJIGGO-UHFFFAOYSA-N 1 0 358.482 3.617 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188992804 941140911 /nfs/dbraw/zinc/14/09/11/941140911.db2.gz OZTGILFODQIVRS-IBGZPJMESA-N 1 0 373.500 3.713 20 30 FHEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000189510395 941159334 /nfs/dbraw/zinc/15/93/34/941159334.db2.gz VUBLXHQRVPNMJK-HOCLYGCPSA-N 1 0 351.903 3.804 20 30 FHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000311267434 941162928 /nfs/dbraw/zinc/16/29/28/941162928.db2.gz QFYDGXPWASHPIE-SFHVURJKSA-N 1 0 361.461 3.870 20 30 FHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189594319 941212320 /nfs/dbraw/zinc/21/23/20/941212320.db2.gz QMVXXUIRWUKTMD-UHFFFAOYSA-N 1 0 361.489 3.700 20 30 FHEDRO N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000311357805 941248328 /nfs/dbraw/zinc/24/83/28/941248328.db2.gz DWTOPUMKBMTEGC-GOSISDBHSA-N 1 0 350.422 3.791 20 30 FHEDRO C=CCN(CC)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376588898 941259613 /nfs/dbraw/zinc/25/96/13/941259613.db2.gz OTKYJCNPZQLPNX-LJQANCHMSA-N 1 0 367.497 3.678 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000178559601 941276397 /nfs/dbraw/zinc/27/63/97/941276397.db2.gz FKNCSQODKJHOLX-UHFFFAOYSA-N 1 0 366.465 3.519 20 30 FHEDRO C=CCC[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000659472603 941291036 /nfs/dbraw/zinc/29/10/36/941291036.db2.gz PMBJLXNNNUJDEP-CRPOECCBSA-N 1 0 367.415 3.764 20 30 FHEDRO CCCc1nc(CON=C(N)c2ccc(Br)cc2)cs1 ZINC000782949227 941326398 /nfs/dbraw/zinc/32/63/98/941326398.db2.gz RORQARXVJXCCCK-UHFFFAOYSA-N 1 0 354.273 3.695 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)CCC1 ZINC000188073273 941341022 /nfs/dbraw/zinc/34/10/22/941341022.db2.gz AFJCFEJPOHPGMH-IBGZPJMESA-N 1 0 369.509 3.538 20 30 FHEDRO Cc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782968061 941351717 /nfs/dbraw/zinc/35/17/17/941351717.db2.gz UFZSXCOUGACIAU-NRFANRHFSA-N 1 0 374.400 3.901 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000181537098 941366934 /nfs/dbraw/zinc/36/69/34/941366934.db2.gz CCRZEPHXNFQKKF-HUUCEWRRSA-N 1 0 369.490 3.933 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000414535139 941375203 /nfs/dbraw/zinc/37/52/03/941375203.db2.gz KVRSPOVSAPLTMR-YLJYHZDGSA-N 1 0 357.519 3.971 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)NCC(C)(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000376708128 941385319 /nfs/dbraw/zinc/38/53/19/941385319.db2.gz YYIMEBGPBLXDSU-IEBWSBKVSA-N 1 0 356.514 3.669 20 30 FHEDRO N#Cc1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000892710888 941398478 /nfs/dbraw/zinc/39/84/78/941398478.db2.gz DZWUURVSZNJEBX-UHFFFAOYSA-N 1 0 355.869 3.780 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1Cl ZINC000414709952 941443991 /nfs/dbraw/zinc/44/39/91/941443991.db2.gz KQIMVKAWNSIBOC-FUHWJXTLSA-N 1 0 372.831 3.699 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000563881589 941485045 /nfs/dbraw/zinc/48/50/45/941485045.db2.gz LEUXOZRONJDBQX-CTNGQTDRSA-N 1 0 370.880 3.756 20 30 FHEDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414961630 941530007 /nfs/dbraw/zinc/53/00/07/941530007.db2.gz IWQKNWWXMICIBG-ZDUSSCGKSA-N 1 0 372.856 3.981 20 30 FHEDRO CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCc2c1cnn2C ZINC000135637104 941540714 /nfs/dbraw/zinc/54/07/14/941540714.db2.gz BUARVWLOPRLTLU-KRWDZBQOSA-N 1 0 363.383 3.680 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[C@H]1[NH3+] ZINC000415005186 941541419 /nfs/dbraw/zinc/54/14/19/941541419.db2.gz ITILUBPRNGLXSO-RDTXWAMCSA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC000415029446 941550635 /nfs/dbraw/zinc/55/06/35/941550635.db2.gz BCNCJVZHCXCEMV-DOTOQJQBSA-N 1 0 350.422 3.742 20 30 FHEDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415031017 941554345 /nfs/dbraw/zinc/55/43/45/941554345.db2.gz DKOLKUQEBNRIDW-QGZVFWFLSA-N 1 0 352.438 3.990 20 30 FHEDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415047750 941565142 /nfs/dbraw/zinc/56/51/42/941565142.db2.gz WKPPKPLNGBFUFY-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000415090970 941600950 /nfs/dbraw/zinc/60/09/50/941600950.db2.gz YGWLYWLDKOKGJR-CQSZACIVSA-N 1 0 368.437 3.608 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415144159 941631153 /nfs/dbraw/zinc/63/11/53/941631153.db2.gz BXKJUHPCZBWEKO-DOTOQJQBSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1C[NH3+] ZINC000415152975 941635855 /nfs/dbraw/zinc/63/58/55/941635855.db2.gz VUCVGTSPROTWJX-YWZLYKJASA-N 1 0 364.449 3.942 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000472729420 941640837 /nfs/dbraw/zinc/64/08/37/941640837.db2.gz OUBNBPIWLVHJFN-KRWDZBQOSA-N 1 0 350.466 3.899 20 30 FHEDRO CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472731888 941644831 /nfs/dbraw/zinc/64/48/31/941644831.db2.gz UTEPJDSKFRYMGA-IBGZPJMESA-N 1 0 366.440 3.826 20 30 FHEDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 ZINC000415169018 941646275 /nfs/dbraw/zinc/64/62/75/941646275.db2.gz VQHQLPLXQQTIHK-FQEVSTJZSA-N 1 0 350.422 3.599 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415166174 941648126 /nfs/dbraw/zinc/64/81/26/941648126.db2.gz RAAIJWLIXLXNCU-UGUYLWEFSA-N 1 0 358.511 3.672 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@@H]1C(F)(F)F ZINC000892911963 941672363 /nfs/dbraw/zinc/67/23/63/941672363.db2.gz OOGNLDKRZUUNHP-KFWWJZLASA-N 1 0 372.362 3.697 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000472757487 941689517 /nfs/dbraw/zinc/68/95/17/941689517.db2.gz VMPYQFJVJKJGKQ-GOSISDBHSA-N 1 0 356.432 3.540 20 30 FHEDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415245204 941698922 /nfs/dbraw/zinc/69/89/22/941698922.db2.gz ZMRCISBEROXIIN-FQEVSTJZSA-N 1 0 370.428 3.985 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(NCCc3ccccc3)cc2)CC1 ZINC000729271951 941704153 /nfs/dbraw/zinc/70/41/53/941704153.db2.gz WKMFTRXMPIBXFY-UHFFFAOYSA-N 1 0 361.489 3.625 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000052931227 941739827 /nfs/dbraw/zinc/73/98/27/941739827.db2.gz FIPBECBXFGEDPT-QFIPXVFZSA-N 1 0 373.500 3.963 20 30 FHEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000377466339 941748407 /nfs/dbraw/zinc/74/84/07/941748407.db2.gz XVYQPDVNYMTEKJ-OGWHTMIXSA-N 1 0 362.539 3.619 20 30 FHEDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(C#N)cc1F ZINC000151154054 941764079 /nfs/dbraw/zinc/76/40/79/941764079.db2.gz FFMCIIGKPCURAL-AWEZNQCLSA-N 1 0 373.859 3.878 20 30 FHEDRO Cn1cc(C[N@@H+]2CCC=C(c3ccncc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000513197099 941771186 /nfs/dbraw/zinc/77/11/86/941771186.db2.gz TZPBKEFCFYDCIT-UHFFFAOYSA-N 1 0 355.445 3.643 20 30 FHEDRO Oc1ccc(/C=N/C[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c(O)c1O ZINC000122555030 941796955 /nfs/dbraw/zinc/79/69/55/941796955.db2.gz HLZUSSNEFPWNDZ-XYHOIZSOSA-N 1 0 360.841 3.713 20 30 FHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000513235246 941808296 /nfs/dbraw/zinc/80/82/96/941808296.db2.gz MTERCPCHRDNQQX-LJQANCHMSA-N 1 0 359.473 3.926 20 30 FHEDRO CCc1ccc([C@@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)cc1 ZINC000513360842 941868361 /nfs/dbraw/zinc/86/83/61/941868361.db2.gz FTLXCQYLRUKZOA-JOCHJYFZSA-N 1 0 361.489 3.616 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000415532639 941882899 /nfs/dbraw/zinc/88/28/99/941882899.db2.gz GRLJAVANLNNIBV-KSSFIOAISA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415532683 941883156 /nfs/dbraw/zinc/88/31/56/941883156.db2.gz GWODZXBEWQTTBY-JKSUJKDBSA-N 1 0 364.449 3.942 20 30 FHEDRO N#Cc1cc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1Oc1ccccc1 ZINC000415538533 941885641 /nfs/dbraw/zinc/88/56/41/941885641.db2.gz RZTMBEGDFBSOMJ-OAQYLSRUSA-N 1 0 362.433 3.568 20 30 FHEDRO C[C@](C[NH3+])(NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CC1 ZINC000415539691 941886470 /nfs/dbraw/zinc/88/64/70/941886470.db2.gz VKCLATLQJACUFW-HXUWFJFHSA-N 1 0 350.422 3.599 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415536212 941889110 /nfs/dbraw/zinc/88/91/10/941889110.db2.gz NDMHMHMOOQIHRG-GJZGRUSLSA-N 1 0 350.422 3.552 20 30 FHEDRO CN1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000377682931 941897503 /nfs/dbraw/zinc/89/75/03/941897503.db2.gz TUADZIXJOVOVDK-MOPGFXCFSA-N 1 0 361.917 3.775 20 30 FHEDRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1-c1ncco1 ZINC000330142408 941900742 /nfs/dbraw/zinc/90/07/42/941900742.db2.gz YGFHWZGXPOISGJ-QGZVFWFLSA-N 1 0 354.454 3.756 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C2Cc3ccccc3C2)c1 ZINC000513415025 941912026 /nfs/dbraw/zinc/91/20/26/941912026.db2.gz HPHISEYZYDSTMT-UHFFFAOYSA-N 1 0 361.489 3.649 20 30 FHEDRO CCCN(CC[NH+](CC)CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000122599198 941916256 /nfs/dbraw/zinc/91/62/56/941916256.db2.gz WAWUCXWFGTWZLK-UHFFFAOYSA-N 1 0 353.514 3.513 20 30 FHEDRO CC[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)N1CCc2ccccc2C1 ZINC000728711593 941978758 /nfs/dbraw/zinc/97/87/58/941978758.db2.gz JEYSSTFDMMGBPI-PGRDOPGGSA-N 1 0 363.505 3.904 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)cc1 ZINC000728715284 942013445 /nfs/dbraw/zinc/01/34/45/942013445.db2.gz UNIVLJMSSRUODL-QGZVFWFLSA-N 1 0 373.460 3.636 20 30 FHEDRO CC1(C)CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000415799547 942055284 /nfs/dbraw/zinc/05/52/84/942055284.db2.gz CKNFCPUQXPKZOM-UHFFFAOYSA-N 1 0 366.490 3.925 20 30 FHEDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415807794 942058156 /nfs/dbraw/zinc/05/81/56/942058156.db2.gz QMDBUCHFTINCEZ-OAHLLOKOSA-N 1 0 366.490 3.783 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@H](C)C[NH2+]1 ZINC000415803535 942060091 /nfs/dbraw/zinc/06/00/91/942060091.db2.gz JSTYSYGNIRTCBK-HUUCEWRRSA-N 1 0 366.490 3.924 20 30 FHEDRO Cc1cc(C#N)cnc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000549366539 942064948 /nfs/dbraw/zinc/06/49/48/942064948.db2.gz SCPMHCWMIFGJOH-KRWDZBQOSA-N 1 0 362.477 3.566 20 30 FHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137835 942167932 /nfs/dbraw/zinc/16/79/32/942167932.db2.gz WHPCVVJHRRHDSD-CVEARBPZSA-N 1 0 373.460 3.730 20 30 FHEDRO COc1ccc(C[N@H+](CCc2ccccn2)Cc2cc(C#N)n(C)c2)cc1 ZINC000280378503 942171700 /nfs/dbraw/zinc/17/17/00/942171700.db2.gz VVUMMUTWGRHKAO-UHFFFAOYSA-N 1 0 360.461 3.545 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)ccc1OCc1ccccn1 ZINC000280703216 942236126 /nfs/dbraw/zinc/23/61/26/942236126.db2.gz SRKDUZRWYPCOMD-VGOFRKELSA-N 1 0 368.477 3.740 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000280737652 942242274 /nfs/dbraw/zinc/24/22/74/942242274.db2.gz WMKOHQQNAIZCNZ-QAPCUYQASA-N 1 0 351.450 3.585 20 30 FHEDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000420923844 942256423 /nfs/dbraw/zinc/25/64/23/942256423.db2.gz IOSRVIMZWLSVIT-SJORKVTESA-N 1 0 350.503 3.529 20 30 FHEDRO N#CC1(c2ccc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000179875845 942297224 /nfs/dbraw/zinc/29/72/24/942297224.db2.gz DOAVIQMZMJSTIE-NRFANRHFSA-N 1 0 359.473 3.636 20 30 FHEDRO C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419654944 942336317 /nfs/dbraw/zinc/33/63/17/942336317.db2.gz XPCFIKLUQJRHIH-NRFANRHFSA-N 1 0 368.525 3.699 20 30 FHEDRO Cc1nnc([C@@H]2CC23CC[NH+](Cc2ccccc2C(C)(C)C#N)CC3)o1 ZINC000378166709 942344257 /nfs/dbraw/zinc/34/42/57/942344257.db2.gz BVEAMQRMCJKVNP-SFHVURJKSA-N 1 0 350.466 3.949 20 30 FHEDRO COc1cc(C#N)ccc1CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000501208110 942352029 /nfs/dbraw/zinc/35/20/29/942352029.db2.gz XSZAIQOGTVDTII-SFHVURJKSA-N 1 0 352.409 3.801 20 30 FHEDRO Cc1ncoc1CN1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001141052720 942365207 /nfs/dbraw/zinc/36/52/07/942365207.db2.gz DZFYJDHGGLISIV-UHFFFAOYSA-N 1 0 360.255 3.803 20 30 FHEDRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197740 942378175 /nfs/dbraw/zinc/37/81/75/942378175.db2.gz CWHIMIQWQDTGFA-YYFZDKIDSA-N 1 0 371.916 3.679 20 30 FHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416172665 942438456 /nfs/dbraw/zinc/43/84/56/942438456.db2.gz XNVFWXUHDXQNQH-PKTZIBPZSA-N 1 0 373.500 3.733 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000505302149 942457332 /nfs/dbraw/zinc/45/73/32/942457332.db2.gz REGFVJPIIZOXBB-KRWDZBQOSA-N 1 0 353.853 3.606 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000549407386 942480930 /nfs/dbraw/zinc/48/09/30/942480930.db2.gz FIHYVWRQYVPLBK-IBGZPJMESA-N 1 0 362.429 3.542 20 30 FHEDRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N1CCCC1 ZINC000421321580 942481546 /nfs/dbraw/zinc/48/15/46/942481546.db2.gz BWJADQZKWUQOGJ-FQEVSTJZSA-N 1 0 353.441 3.633 20 30 FHEDRO CC[C@@H]1C[C@]1([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(C)c1 ZINC000502506284 942484111 /nfs/dbraw/zinc/48/41/11/942484111.db2.gz GDBZJMSKLLOQIR-SYYKKAFVSA-N 1 0 350.462 3.521 20 30 FHEDRO C[C@@H]1C[NH+](Cc2cccc(NCc3ccc(C#N)c(F)c3)c2)C[C@@H](C)O1 ZINC000421343543 942497239 /nfs/dbraw/zinc/49/72/39/942497239.db2.gz ZPUCZMZBWBECRB-HZPDHXFCSA-N 1 0 353.441 3.919 20 30 FHEDRO Cc1ccc(NCc2ccc(C#N)c(F)c2)cc1NC(=O)CC[NH+](C)C ZINC000421343879 942497975 /nfs/dbraw/zinc/49/79/75/942497975.db2.gz ODWYPBKLUMPZOV-UHFFFAOYSA-N 1 0 354.429 3.508 20 30 FHEDRO C[C@@H]([NH2+]C1(CNCc2ccc(C#N)c(F)c2)CCOCC1)c1ccccc1 ZINC000421365210 942517077 /nfs/dbraw/zinc/51/70/77/942517077.db2.gz QKCPQNLLCXCMPL-QGZVFWFLSA-N 1 0 367.468 3.687 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000513816497 942534658 /nfs/dbraw/zinc/53/46/58/942534658.db2.gz OUHJOVPXBZHIDN-LEWJYISDSA-N 1 0 351.490 3.953 20 30 FHEDRO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513879682 942572480 /nfs/dbraw/zinc/57/24/80/942572480.db2.gz IPEBGYTUAOOIED-GOSISDBHSA-N 1 0 352.453 3.976 20 30 FHEDRO COc1ccc(CCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1OC ZINC000181583184 942574756 /nfs/dbraw/zinc/57/47/56/942574756.db2.gz LFHGHANTYTZCAP-MRXNPFEDSA-N 1 0 354.450 3.890 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425076752 942642146 /nfs/dbraw/zinc/64/21/46/942642146.db2.gz GMNQDWSRWSFGNV-UHFFFAOYSA-N 1 0 354.479 3.732 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ccc(OCC#N)cc1 ZINC000182001669 942654210 /nfs/dbraw/zinc/65/42/10/942654210.db2.gz GIOCUYGERQACNS-ZDUSSCGKSA-N 1 0 365.355 3.776 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](CC(F)(F)F)C1)C(C)C ZINC000434478418 942702127 /nfs/dbraw/zinc/70/21/27/942702127.db2.gz UOCHMQYXYBVYPB-JKSUJKDBSA-N 1 0 361.452 3.669 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cccc2cccnc21)C(C)C ZINC000514076774 942722032 /nfs/dbraw/zinc/72/20/32/942722032.db2.gz DZIYSOGTYXJANH-HXUWFJFHSA-N 1 0 366.509 3.733 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)c1 ZINC000414543298 942725591 /nfs/dbraw/zinc/72/55/91/942725591.db2.gz SQNYIMXSNNMMFZ-JOCHJYFZSA-N 1 0 367.489 3.871 20 30 FHEDRO C=CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CCN2COCCOC ZINC001269810626 942766192 /nfs/dbraw/zinc/76/61/92/942766192.db2.gz XYWBJRVAXSKQEN-PMACEKPBSA-N 1 0 366.546 3.589 20 30 FHEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000421700689 942772606 /nfs/dbraw/zinc/77/26/06/942772606.db2.gz FUQXHGZLSCUWEF-GOSISDBHSA-N 1 0 365.502 3.876 20 30 FHEDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000378456369 942788942 /nfs/dbraw/zinc/78/89/42/942788942.db2.gz SXNHAHAPBVNXPS-IIMDRIAPSA-N 1 0 352.482 3.564 20 30 FHEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)cc1OC ZINC000378459437 942793163 /nfs/dbraw/zinc/79/31/63/942793163.db2.gz ZSGMHZLONQLLSB-FKICDVMDSA-N 1 0 372.509 3.712 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000502894925 942823451 /nfs/dbraw/zinc/82/34/51/942823451.db2.gz FFRQZMMWYZTJKK-HXUWFJFHSA-N 1 0 373.545 3.569 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)ccc1OC ZINC000414556006 942858075 /nfs/dbraw/zinc/85/80/75/942858075.db2.gz VBDUVQFRXMZYFS-IBGZPJMESA-N 1 0 372.509 3.627 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)s1 ZINC000378554272 942884512 /nfs/dbraw/zinc/88/45/12/942884512.db2.gz VZSKEHYMARMTIK-IUODEOHRSA-N 1 0 367.453 3.683 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccnc2-n2ccnc2)CC1 ZINC000271073824 942885693 /nfs/dbraw/zinc/88/56/93/942885693.db2.gz NBTJGSQJAPQPOE-UHFFFAOYSA-N 1 0 357.461 3.761 20 30 FHEDRO Cc1ccccc1C([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1C ZINC000526058125 942924631 /nfs/dbraw/zinc/92/46/31/942924631.db2.gz UXNZDSYTUBDPJE-GOSISDBHSA-N 1 0 361.489 3.933 20 30 FHEDRO COc1ccc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1OCCCC#N ZINC000430120691 942926556 /nfs/dbraw/zinc/92/65/56/942926556.db2.gz FRVNRGWAYZOLPA-QWFCFKBJSA-N 1 0 371.525 3.540 20 30 FHEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)C1 ZINC000503035307 942930144 /nfs/dbraw/zinc/93/01/44/942930144.db2.gz RZVGJLDNJBUVCR-KOLCDFICSA-N 1 0 360.626 3.726 20 30 FHEDRO CN(C(=[NH2+])NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)C1CC1 ZINC000273329005 942932844 /nfs/dbraw/zinc/93/28/44/942932844.db2.gz JAIWIJHYTOZEGS-UHFFFAOYSA-N 1 0 359.477 3.507 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ncccn1 ZINC000378621398 942963425 /nfs/dbraw/zinc/96/34/25/942963425.db2.gz JHZKJUUAJNZPEW-HOTGVXAUSA-N 1 0 371.444 3.693 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](c3ccccc3)N3CCCC3)CC2)cc1 ZINC000513762871 942990100 /nfs/dbraw/zinc/99/01/00/942990100.db2.gz UDWOCFQSIMPITK-DEOSSOPVSA-N 1 0 374.532 3.954 20 30 FHEDRO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)C1=O ZINC000434849886 943005977 /nfs/dbraw/zinc/00/59/77/943005977.db2.gz HGZQYTHLQVUHOB-IEBWSBKVSA-N 1 0 365.502 3.995 20 30 FHEDRO COc1ccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)cc1C#N ZINC000312269992 943015531 /nfs/dbraw/zinc/01/55/31/943015531.db2.gz OPMURNCHKLBFTH-GOSISDBHSA-N 1 0 373.497 3.740 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 ZINC000509959736 943021254 /nfs/dbraw/zinc/02/12/54/943021254.db2.gz SBYWWSITDNWOQW-NRFANRHFSA-N 1 0 364.489 3.575 20 30 FHEDRO CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505558105 943027337 /nfs/dbraw/zinc/02/73/37/943027337.db2.gz OZRJAUOGLKZXLG-NHCUHLMSSA-N 1 0 368.525 3.744 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505561673 943037393 /nfs/dbraw/zinc/03/73/93/943037393.db2.gz JMDZKCPKSJLAOH-FQEVSTJZSA-N 1 0 353.491 3.639 20 30 FHEDRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000894270854 943046280 /nfs/dbraw/zinc/04/62/80/943046280.db2.gz KTQLCCJIAUTOJL-UHFFFAOYSA-N 1 0 368.790 3.981 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416699690 943050034 /nfs/dbraw/zinc/05/00/34/943050034.db2.gz YTAANUNHGPYWLY-UWJYYQICSA-N 1 0 368.525 3.889 20 30 FHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C#N)s2)CC1)CC1CC1 ZINC000422212015 943056906 /nfs/dbraw/zinc/05/69/06/943056906.db2.gz DHIVGPIXYQZYIC-UHFFFAOYSA-N 1 0 374.554 3.663 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000363937926 943100938 /nfs/dbraw/zinc/10/09/38/943100938.db2.gz IZUNBYWMVTVFGQ-LPHOPBHVSA-N 1 0 370.884 3.957 20 30 FHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505589722 943103569 /nfs/dbraw/zinc/10/35/69/943103569.db2.gz APBBGEBTOPEUBR-KKSFZXQISA-N 1 0 368.477 3.681 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000503290549 943107723 /nfs/dbraw/zinc/10/77/23/943107723.db2.gz KRMHOQCYNCAQNW-SFHVURJKSA-N 1 0 362.267 3.837 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435025683 943110249 /nfs/dbraw/zinc/11/02/49/943110249.db2.gz JUHYCJKXTJLNPD-SFHVURJKSA-N 1 0 373.500 3.932 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272419505 943153083 /nfs/dbraw/zinc/15/30/83/943153083.db2.gz LTVPFBZHQNRKBG-INMHGKMJSA-N 1 0 358.511 3.639 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272419502 943153133 /nfs/dbraw/zinc/15/31/33/943153133.db2.gz LTVPFBZHQNRKBG-HLLBOEOZSA-N 1 0 358.511 3.639 20 30 FHEDRO C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000505606772 943176409 /nfs/dbraw/zinc/17/64/09/943176409.db2.gz GQHUAWYWADEVMR-MGPUTAFESA-N 1 0 365.452 3.537 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272639793 943191488 /nfs/dbraw/zinc/19/14/88/943191488.db2.gz CCAVTOLTKKLHMS-HUUCEWRRSA-N 1 0 358.511 3.853 20 30 FHEDRO C=CCOc1ccc(CC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC001269372860 943218323 /nfs/dbraw/zinc/21/83/23/943218323.db2.gz FHNZPCBBGYUTLK-WZONZLPQSA-N 1 0 366.505 3.910 20 30 FHEDRO C=C(C)[C@H](CC(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@@H+]1CC)OCC ZINC000503497309 943219779 /nfs/dbraw/zinc/21/97/79/943219779.db2.gz PXXJUCLRXXHAOE-FPOVZHCZSA-N 1 0 374.525 3.576 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2C#N)[NH+]2CCCC2)o1 ZINC000435161640 943224177 /nfs/dbraw/zinc/22/41/77/943224177.db2.gz UBZBHXKDYLGYHG-QGZVFWFLSA-N 1 0 356.401 3.557 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185802572 943226914 /nfs/dbraw/zinc/22/69/14/943226914.db2.gz MGGBNIOSWUNEFG-QWQRMKEZSA-N 1 0 369.431 3.841 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000503525542 943234657 /nfs/dbraw/zinc/23/46/57/943234657.db2.gz HBJVJOGGQCKPJJ-ZWKOTPCHSA-N 1 0 369.490 3.676 20 30 FHEDRO N#CCCC1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000584587276 943287796 /nfs/dbraw/zinc/28/77/96/943287796.db2.gz AHQPSSMQJPXNJE-UHFFFAOYSA-N 1 0 360.546 3.758 20 30 FHEDRO CN1C(=O)C[C@H]([NH2+]CCC2(C#N)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514844992 943326690 /nfs/dbraw/zinc/32/66/90/943326690.db2.gz QLDUWGHWATZSCR-HKUYNNGSSA-N 1 0 361.436 3.690 20 30 FHEDRO Cc1cnc(CC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000514860366 943343376 /nfs/dbraw/zinc/34/33/76/943343376.db2.gz ZGMUXQGKUXPUTG-UHFFFAOYSA-N 1 0 353.441 3.795 20 30 FHEDRO COc1cc(C[NH+]2CCC(CCC#N)CC2)cc(OC)c1OCC(F)F ZINC000514863699 943346176 /nfs/dbraw/zinc/34/61/76/943346176.db2.gz IMRQJNQMTVKZAA-UHFFFAOYSA-N 1 0 368.424 3.863 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)cc1 ZINC000093009797 943356202 /nfs/dbraw/zinc/35/62/02/943356202.db2.gz BYALOMZTZCRQGI-UHFFFAOYSA-N 1 0 354.450 3.547 20 30 FHEDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425366966 943379292 /nfs/dbraw/zinc/37/92/92/943379292.db2.gz QZZXMOLXODFBRF-MRXNPFEDSA-N 1 0 368.481 3.516 20 30 FHEDRO C[C@@H](C[N@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000425368969 943384434 /nfs/dbraw/zinc/38/44/34/943384434.db2.gz YSQYABIYVNIHHJ-HOTGVXAUSA-N 1 0 356.491 3.758 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000503912144 943417312 /nfs/dbraw/zinc/41/73/12/943417312.db2.gz RQNAQEOELPJZRX-XPTLAUCJSA-N 1 0 353.510 3.914 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc(F)c1SC)C(C)C ZINC000435460066 943425682 /nfs/dbraw/zinc/42/56/82/943425682.db2.gz PWNZYXBEKNBYKC-QGZVFWFLSA-N 1 0 350.503 3.976 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505698592 943428789 /nfs/dbraw/zinc/42/87/89/943428789.db2.gz YYWYYFWJJFYXNF-GJZGRUSLSA-N 1 0 353.919 3.726 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000364051517 943436689 /nfs/dbraw/zinc/43/66/89/943436689.db2.gz KOXUXYKQPRBCMW-ZBFHGGJFSA-N 1 0 367.415 3.754 20 30 FHEDRO C=CCOc1ccc(Br)cc1NC(=O)CCCC[NH+](C)C ZINC000514998615 943442411 /nfs/dbraw/zinc/44/24/11/943442411.db2.gz YQOCTGSCGVXRNC-UHFFFAOYSA-N 1 0 355.276 3.684 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000503989233 943444334 /nfs/dbraw/zinc/44/43/34/943444334.db2.gz IBKNNQGRZLQUAL-VXKWHMMOSA-N 1 0 359.473 3.835 20 30 FHEDRO C=CCN(CC=C)C(=O)C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000364059197 943450112 /nfs/dbraw/zinc/45/01/12/943450112.db2.gz YZKBFKPKSVDWNJ-UHFFFAOYSA-N 1 0 365.477 3.754 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000504065617 943485686 /nfs/dbraw/zinc/48/56/86/943485686.db2.gz ANXSTKMHEKRVNE-JOCHJYFZSA-N 1 0 374.488 3.660 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCc4cc(N)ccc43)CC2)cc1 ZINC000423351110 943487081 /nfs/dbraw/zinc/48/70/81/943487081.db2.gz HNBWKFSOAHBOJV-QHCPKHFHSA-N 1 0 360.505 3.772 20 30 FHEDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000423379957 943496055 /nfs/dbraw/zinc/49/60/55/943496055.db2.gz YHFRWCCWRVTTCY-SLSDUTBNSA-N 1 0 359.395 3.772 20 30 FHEDRO CC(C)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000515157655 943538152 /nfs/dbraw/zinc/53/81/52/943538152.db2.gz UPFUJQALKOGXBP-FQEVSTJZSA-N 1 0 373.566 3.664 20 30 FHEDRO CC(C)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000515157656 943538260 /nfs/dbraw/zinc/53/82/60/943538260.db2.gz UPFUJQALKOGXBP-HXUWFJFHSA-N 1 0 373.566 3.664 20 30 FHEDRO C=CCC(F)(F)C(=O)N1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001270000452 943548033 /nfs/dbraw/zinc/54/80/33/943548033.db2.gz DCRJMSHKHFUZFP-OAHLLOKOSA-N 1 0 368.390 3.855 20 30 FHEDRO C=CCC(F)(F)C(=O)N1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001270001528 943552345 /nfs/dbraw/zinc/55/23/45/943552345.db2.gz ZLBDMLDRUJBOIU-OKILXGFUSA-N 1 0 368.390 3.711 20 30 FHEDRO C=CCC(F)(F)C(=O)N1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001270001442 943552412 /nfs/dbraw/zinc/55/24/12/943552412.db2.gz YBPOLEHMOGYUOQ-UHFFFAOYSA-N 1 0 368.390 3.855 20 30 FHEDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1 ZINC000162395836 943552698 /nfs/dbraw/zinc/55/26/98/943552698.db2.gz JONXUFJRAAYYHV-INIZCTEOSA-N 1 0 370.497 3.524 20 30 FHEDRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458849423 943561611 /nfs/dbraw/zinc/56/16/11/943561611.db2.gz SVLIWKPCPLNRMH-HXUWFJFHSA-N 1 0 356.514 3.939 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000435728656 943572379 /nfs/dbraw/zinc/57/23/79/943572379.db2.gz OTHPJRVLCJBSOG-KDOFPFPSSA-N 1 0 358.463 3.610 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)ccc1Cl ZINC000515238546 943589931 /nfs/dbraw/zinc/58/99/31/943589931.db2.gz WYJWPUNEQXPWSA-UHFFFAOYSA-N 1 0 359.832 3.555 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000435738759 943590254 /nfs/dbraw/zinc/59/02/54/943590254.db2.gz UHBCWBQMKUVSBJ-SJCJKPOMSA-N 1 0 353.388 3.663 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)cc1OCc1cccnc1 ZINC000435740004 943590835 /nfs/dbraw/zinc/59/08/35/943590835.db2.gz ICOMOUNDFQKXHU-UGKGYDQZSA-N 1 0 368.477 3.740 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435740996 943591447 /nfs/dbraw/zinc/59/14/47/943591447.db2.gz MYRZAUOVUJQWSG-MAUKXSAKSA-N 1 0 365.399 3.962 20 30 FHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cc(C)ccc1C ZINC000515246221 943594948 /nfs/dbraw/zinc/59/49/48/943594948.db2.gz QROXVJPOTUPIEA-NRFANRHFSA-N 1 0 352.478 3.827 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000504508858 943648481 /nfs/dbraw/zinc/64/84/81/943648481.db2.gz GKOVYWHPHMXSRO-SFHVURJKSA-N 1 0 358.526 3.763 20 30 FHEDRO C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424087262 943723042 /nfs/dbraw/zinc/72/30/42/943723042.db2.gz DIOUMXNFYYQHRN-MLGOLLRUSA-N 1 0 353.388 3.779 20 30 FHEDRO CC(C)(C)[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116645 943740432 /nfs/dbraw/zinc/74/04/32/943740432.db2.gz XRUQETVZHMCIBV-CABCVRRESA-N 1 0 355.404 3.930 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000424120894 943742128 /nfs/dbraw/zinc/74/21/28/943742128.db2.gz HVYPWDANIYAMKO-SFHVURJKSA-N 1 0 359.832 3.783 20 30 FHEDRO COc1cncc(/C=C\CC[N@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000516864950 943778837 /nfs/dbraw/zinc/77/88/37/943778837.db2.gz WCLCCQLTAYXPQG-HYXAFXHYSA-N 1 0 351.450 3.514 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)cc1Cl ZINC000516908269 943806381 /nfs/dbraw/zinc/80/63/81/943806381.db2.gz FLANYKBJUSRCHK-XJKSGUPXSA-N 1 0 362.832 3.636 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)CC2 ZINC000516896141 943813143 /nfs/dbraw/zinc/81/31/43/943813143.db2.gz CBCAVVWAOMJIEM-IFMALSPDSA-N 1 0 363.530 3.753 20 30 FHEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)oc32)C[C@H]1C ZINC001105119795 943813277 /nfs/dbraw/zinc/81/32/77/943813277.db2.gz BSBJSWKKAPQCHS-BZUAXINKSA-N 1 0 371.481 3.576 20 30 FHEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000424289880 943821421 /nfs/dbraw/zinc/82/14/21/943821421.db2.gz AMSUIVPCBDMREV-GOEBONIOSA-N 1 0 350.388 3.909 20 30 FHEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(I)c2)C1 ZINC000424295683 943824303 /nfs/dbraw/zinc/82/43/03/943824303.db2.gz QBPTWPDDFJTCLA-NOZJJQNGSA-N 1 0 360.626 3.726 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000424294898 943824337 /nfs/dbraw/zinc/82/43/37/943824337.db2.gz LSLLNNQJGFNLQM-MAZHCROVSA-N 1 0 352.272 3.844 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000425412724 943839189 /nfs/dbraw/zinc/83/91/89/943839189.db2.gz FYQXSGRNHOOPED-ROUUACIJSA-N 1 0 356.514 3.773 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000437478825 943847126 /nfs/dbraw/zinc/84/71/26/943847126.db2.gz CMVKRAPPSMOZKY-GJZGRUSLSA-N 1 0 361.452 3.695 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435913942 943852281 /nfs/dbraw/zinc/85/22/81/943852281.db2.gz DAYXIKHVKNQAJF-KRWDZBQOSA-N 1 0 352.482 3.549 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000366671066 943858622 /nfs/dbraw/zinc/85/86/22/943858622.db2.gz UMWGRZMCMWOWHN-LPHOPBHVSA-N 1 0 362.901 3.515 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000366671070 943858842 /nfs/dbraw/zinc/85/88/42/943858842.db2.gz UMWGRZMCMWOWHN-VQIMIIECSA-N 1 0 362.901 3.515 20 30 FHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](C#N)CCc3ccccc3)C2)CC1 ZINC000435924480 943860395 /nfs/dbraw/zinc/86/03/95/943860395.db2.gz AZEIPVRSHVPSHJ-VXKWHMMOSA-N 1 0 367.537 3.729 20 30 FHEDRO CSc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000515415916 943862648 /nfs/dbraw/zinc/86/26/48/943862648.db2.gz ZDWDUGWHNJFIGY-LAUBAEHRSA-N 1 0 368.502 3.687 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000515454626 943892307 /nfs/dbraw/zinc/89/23/07/943892307.db2.gz WOEOZTAOEAGXSP-OAQYLSRUSA-N 1 0 351.494 3.557 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000435974219 943896619 /nfs/dbraw/zinc/89/66/19/943896619.db2.gz HMHVIHBXGFJZIE-NSHDSACASA-N 1 0 372.332 3.521 20 30 FHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516999331 943914502 /nfs/dbraw/zinc/91/45/02/943914502.db2.gz NLHAKHNTKUNGIJ-KRWDZBQOSA-N 1 0 366.440 3.683 20 30 FHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000437581028 943934914 /nfs/dbraw/zinc/93/49/14/943934914.db2.gz KXOPOTXYOCGAHZ-SFHVURJKSA-N 1 0 366.427 3.600 20 30 FHEDRO N#Cc1ccc(CN2CCN(Cc3ccc(OCC(F)F)cc3)CC2)cc1 ZINC000506070636 943943919 /nfs/dbraw/zinc/94/39/19/943943919.db2.gz JFOFQOWHSIIKNI-UHFFFAOYSA-N 1 0 371.431 3.520 20 30 FHEDRO C=CCN1CC[C@H]([N@H+](C)CC/C=C/c2ccc(Br)cc2)C1=O ZINC000500008132 943944452 /nfs/dbraw/zinc/94/44/52/943944452.db2.gz INNOOPQANLKXFM-YXMMZVCTSA-N 1 0 363.299 3.571 20 30 FHEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000417910223 943946461 /nfs/dbraw/zinc/94/64/61/943946461.db2.gz FKAAOQNRQYRWOK-UXHICEINSA-N 1 0 350.466 3.593 20 30 FHEDRO CCc1ccc(C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C2CC2)cc1 ZINC000515548016 943981908 /nfs/dbraw/zinc/98/19/08/943981908.db2.gz BPDLTVJVUFPKIB-OAQYLSRUSA-N 1 0 350.462 3.525 20 30 FHEDRO C[C@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000517074800 943982423 /nfs/dbraw/zinc/98/24/23/943982423.db2.gz LREFNSGAWWZBJS-MRXNPFEDSA-N 1 0 367.880 3.806 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417944086 943986932 /nfs/dbraw/zinc/98/69/32/943986932.db2.gz VSFCUMBAGVTYSL-CVEARBPZSA-N 1 0 355.404 3.845 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000417944919 943989037 /nfs/dbraw/zinc/98/90/37/943989037.db2.gz WZRDJMMMMYAXJO-HLLBOEOZSA-N 1 0 367.415 3.574 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000505036067 943993344 /nfs/dbraw/zinc/99/33/44/943993344.db2.gz RVJRNQKKBYTBHL-WSTZPKSXSA-N 1 0 371.525 3.911 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]([NH3+])C2)cc1Cl ZINC000414910837 944029996 /nfs/dbraw/zinc/02/99/96/944029996.db2.gz SGZXGNPNDRXCTG-RHSMWYFYSA-N 1 0 354.841 3.560 20 30 FHEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517132599 944034009 /nfs/dbraw/zinc/03/40/09/944034009.db2.gz YJEMGDRJVGGULC-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417983625 944038067 /nfs/dbraw/zinc/03/80/67/944038067.db2.gz CIFYFPHFKWNSEM-BQFCYCMXSA-N 1 0 362.477 3.665 20 30 FHEDRO C[C@@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417997985 944047168 /nfs/dbraw/zinc/04/71/68/944047168.db2.gz SQQQEEFMMGHOEP-ZHRRBRCNSA-N 1 0 362.477 3.667 20 30 FHEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417998814 944047382 /nfs/dbraw/zinc/04/73/82/944047382.db2.gz VHLFMKXBRYIFMJ-NRFANRHFSA-N 1 0 364.493 3.740 20 30 FHEDRO C[C@@H](NC(=O)NC1CCC([NH3+])CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417999686 944048390 /nfs/dbraw/zinc/04/83/90/944048390.db2.gz VCRVQXNVBSMECO-TVRCVXMWSA-N 1 0 362.477 3.855 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCOCC1 ZINC000424747648 944087027 /nfs/dbraw/zinc/08/70/27/944087027.db2.gz ZSGZONVMAAGBBS-UHFFFAOYSA-N 1 0 372.509 3.863 20 30 FHEDRO C=CCC1(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)CCCC1 ZINC000664402730 944136184 /nfs/dbraw/zinc/13/61/84/944136184.db2.gz GWLRMQNSBWDXMH-UHFFFAOYSA-N 1 0 356.514 3.757 20 30 FHEDRO COc1ccc(C[NH2+][C@@H]2COCc3ccccc32)cc1OCCCC#N ZINC000418098573 944151377 /nfs/dbraw/zinc/15/13/77/944151377.db2.gz LZRKVCHSQAHJQQ-LJQANCHMSA-N 1 0 352.434 3.739 20 30 FHEDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414914970 944164515 /nfs/dbraw/zinc/16/45/15/944164515.db2.gz YTJNTJGIOYVJQD-RHSMWYFYSA-N 1 0 356.857 3.854 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]([NH3+])C2CC2)cc1Cl ZINC000414915787 944183599 /nfs/dbraw/zinc/18/35/99/944183599.db2.gz ZVIKQBUXYQTRAY-PKOBYXMFSA-N 1 0 368.868 3.854 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437887575 944186512 /nfs/dbraw/zinc/18/65/12/944186512.db2.gz FGZUXHVKWQOMFU-IFMALSPDSA-N 1 0 358.526 3.586 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437887576 944186587 /nfs/dbraw/zinc/18/65/87/944186587.db2.gz FGZUXHVKWQOMFU-IRLDBZIGSA-N 1 0 358.526 3.586 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437887580 944187966 /nfs/dbraw/zinc/18/79/66/944187966.db2.gz FGZUXHVKWQOMFU-UNMCSNQZSA-N 1 0 358.526 3.586 20 30 FHEDRO CCOC(=O)COc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418136987 944191379 /nfs/dbraw/zinc/19/13/79/944191379.db2.gz BJBYWRQWRVPVDP-NRFANRHFSA-N 1 0 364.445 3.667 20 30 FHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000500174759 944213455 /nfs/dbraw/zinc/21/34/55/944213455.db2.gz WBEXIISHAYSQAQ-RXVVDRJESA-N 1 0 353.510 3.771 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000515805570 944222771 /nfs/dbraw/zinc/22/27/71/944222771.db2.gz KNDSXGQIRCJZRY-KDURUIRLSA-N 1 0 373.541 3.761 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1snc(Cl)c1C#N ZINC000092681959 944223527 /nfs/dbraw/zinc/22/35/27/944223527.db2.gz YRGHHNALXVKKOD-UHFFFAOYSA-N 1 0 356.829 3.515 20 30 FHEDRO CSc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425528935 944238167 /nfs/dbraw/zinc/23/81/67/944238167.db2.gz AAPMZVNBMBDCDL-CRAIPNDOSA-N 1 0 356.491 3.713 20 30 FHEDRO [NH2+]=C(NCc1ccccc1C(F)(F)F)Nc1ccc2c(c1)OCCCO2 ZINC000261967608 944245635 /nfs/dbraw/zinc/24/56/35/944245635.db2.gz BYOPVBGTCWLHEC-UHFFFAOYSA-N 1 0 365.355 3.794 20 30 FHEDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000425533749 944260506 /nfs/dbraw/zinc/26/05/06/944260506.db2.gz LBSBHPGIZIYTLD-OAHLLOKOSA-N 1 0 366.421 3.797 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000425533091 944262231 /nfs/dbraw/zinc/26/22/31/944262231.db2.gz KFSPSHQZVQPQCB-CVDCTZTESA-N 1 0 363.505 3.842 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418207829 944267078 /nfs/dbraw/zinc/26/70/78/944267078.db2.gz CHDZCCJOLPLZLG-HKBOAZHASA-N 1 0 368.525 3.985 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000425536499 944283558 /nfs/dbraw/zinc/28/35/58/944283558.db2.gz ORZSNPDJNRTWCU-MRXNPFEDSA-N 1 0 361.445 3.627 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000425536470 944283633 /nfs/dbraw/zinc/28/36/33/944283633.db2.gz OQRALKVTYFQDPK-HRAATJIYSA-N 1 0 358.445 3.618 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@@H+]1C ZINC000438062005 944321772 /nfs/dbraw/zinc/32/17/72/944321772.db2.gz VQSDCSSPMCRVDF-YJBOKZPZSA-N 1 0 364.449 3.955 20 30 FHEDRO N#Cc1cc2c(nc1NC1CC[NH+](CCc3ccccc3)CC1)CCCC2 ZINC000500252271 944344568 /nfs/dbraw/zinc/34/45/68/944344568.db2.gz IFNKWRFXNZZECZ-UHFFFAOYSA-N 1 0 360.505 3.951 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]C[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000025358071 944369524 /nfs/dbraw/zinc/36/95/24/944369524.db2.gz AOECUKISTYAYTK-JOCHJYFZSA-N 1 0 364.489 3.634 20 30 FHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000436504703 944375038 /nfs/dbraw/zinc/37/50/38/944375038.db2.gz NUMDJBFKAKCOAR-HOTGVXAUSA-N 1 0 360.527 3.934 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000506499693 944393560 /nfs/dbraw/zinc/39/35/60/944393560.db2.gz NHRBTVLCPABTMM-MRXNPFEDSA-N 1 0 359.489 3.746 20 30 FHEDRO CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000894691897 944423513 /nfs/dbraw/zinc/42/35/13/944423513.db2.gz JRZVWNIHAFRMGL-WFASDCNBSA-N 1 0 350.260 3.579 20 30 FHEDRO C=CC(C)(C)CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC001125935902 944424253 /nfs/dbraw/zinc/42/42/53/944424253.db2.gz ARLCNAWELRVLHW-UHFFFAOYSA-N 1 0 367.331 3.942 20 30 FHEDRO COc1cc(C[NH2+]CCc2cnc(SC3CCCC3)nc2)ccc1C#N ZINC000516020589 944432909 /nfs/dbraw/zinc/43/29/09/944432909.db2.gz OUYNNAQNIRJXMO-UHFFFAOYSA-N 1 0 368.506 3.724 20 30 FHEDRO [NH2+]=C(NC[C@H]1CCCc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000261980683 944441220 /nfs/dbraw/zinc/44/12/20/944441220.db2.gz HULSOMCPLVDWGY-MRXNPFEDSA-N 1 0 351.450 3.695 20 30 FHEDRO C[N@H+](CC(=O)Nc1ccccc1SCC#N)C1CCC(F)(F)CC1 ZINC000287029380 944443031 /nfs/dbraw/zinc/44/30/31/944443031.db2.gz SAPGKOYFZITKEX-UHFFFAOYSA-N 1 0 353.438 3.750 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000518509754 944455201 /nfs/dbraw/zinc/45/52/01/944455201.db2.gz OAUYDVLXVGAPIW-KRWDZBQOSA-N 1 0 359.514 3.875 20 30 FHEDRO CC1CC[NH+](Cc2ccc(NC(=O)COc3ccccc3C#N)cc2)CC1 ZINC000053618295 944467471 /nfs/dbraw/zinc/46/74/71/944467471.db2.gz TWHFMTBKXQCPAI-UHFFFAOYSA-N 1 0 363.461 3.808 20 30 FHEDRO CC[C@](C)(O)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000439263452 944480436 /nfs/dbraw/zinc/48/04/36/944480436.db2.gz XMRFPQITLGQBKW-QFIPXVFZSA-N 1 0 365.477 3.550 20 30 FHEDRO CC[C@@](C)(O)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000439266422 944483163 /nfs/dbraw/zinc/48/31/63/944483163.db2.gz AZVWJYRSVYGDMG-JOCHJYFZSA-N 1 0 365.477 3.550 20 30 FHEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000516102252 944484192 /nfs/dbraw/zinc/48/41/92/944484192.db2.gz ZEZXALDQHBAYDZ-YLJYHZDGSA-N 1 0 368.477 3.630 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1sccc1CC#N ZINC001125937785 944495757 /nfs/dbraw/zinc/49/57/57/944495757.db2.gz FFAMHRDQPLBGFM-UHFFFAOYSA-N 1 0 361.898 3.672 20 30 FHEDRO C=CCC[C@H](NC(=O)C(=O)Nc1cccc(C[NH2+]CC)c1)c1ccccc1 ZINC000414992133 944503441 /nfs/dbraw/zinc/50/34/41/944503441.db2.gz RGYLODDJJGFKOG-FQEVSTJZSA-N 1 0 365.477 3.558 20 30 FHEDRO CC1(C)CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000383121742 944522858 /nfs/dbraw/zinc/52/28/58/944522858.db2.gz BZLYKXLNHPGDHX-UHFFFAOYSA-N 1 0 350.422 3.567 20 30 FHEDRO CCN(CC)C(=O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426366822 944566993 /nfs/dbraw/zinc/56/69/93/944566993.db2.gz SLPPAFXXOXXNLU-UHFFFAOYSA-N 1 0 366.427 3.637 20 30 FHEDRO CO[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@@H]1C ZINC000467384808 944579963 /nfs/dbraw/zinc/57/99/63/944579963.db2.gz XSBBGNXJGCMEBQ-JTSKRJEESA-N 1 0 350.462 3.994 20 30 FHEDRO CN(C(=O)Nc1cccc(C#N)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000516192152 944579976 /nfs/dbraw/zinc/57/99/76/944579976.db2.gz TYYBXSJBRGPOAL-UHFFFAOYSA-N 1 0 364.449 3.701 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3sccc3[C@@H]2C)c(OC)c1 ZINC000032489804 944583026 /nfs/dbraw/zinc/58/30/26/944583026.db2.gz YCDRQBPEBCNFEH-DOTOQJQBSA-N 1 0 373.518 3.844 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000550264159 944598704 /nfs/dbraw/zinc/59/87/04/944598704.db2.gz VPSKMVAPUZBQRJ-UHFFFAOYSA-N 1 0 371.431 3.874 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000473828665 944606390 /nfs/dbraw/zinc/60/63/90/944606390.db2.gz YGAHKSZVKDIOBH-AWEZNQCLSA-N 1 0 359.445 3.973 20 30 FHEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000426385313 944612806 /nfs/dbraw/zinc/61/28/06/944612806.db2.gz MTEGCSKSNAQOEA-SFHVURJKSA-N 1 0 367.880 3.746 20 30 FHEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)c1 ZINC000759863369 944620166 /nfs/dbraw/zinc/62/01/66/944620166.db2.gz OLYQZPPSWWNWTK-HXUWFJFHSA-N 1 0 374.843 3.928 20 30 FHEDRO Cc1ccc2nc(C3CC3)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c2c1 ZINC000473603608 944664195 /nfs/dbraw/zinc/66/41/95/944664195.db2.gz CPUVIJHAOFUXGH-UHFFFAOYSA-N 1 0 364.493 3.728 20 30 FHEDRO N#CCCCOc1cccc(CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000506268774 944727917 /nfs/dbraw/zinc/72/79/17/944727917.db2.gz OASIPXUOCQQEOS-UHFFFAOYSA-N 1 0 363.505 3.729 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000425643630 944756526 /nfs/dbraw/zinc/75/65/26/944756526.db2.gz IXUVLXSIERGAIB-JXFKEZNVSA-N 1 0 350.466 3.564 20 30 FHEDRO CN(CC(=O)N(CCC#N)c1ccccc1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426753555 944774453 /nfs/dbraw/zinc/77/44/53/944774453.db2.gz JDGQKJZICLOFBB-UHFFFAOYSA-N 1 0 370.541 3.520 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1c(F)cc(F)cc1F)C(C)C ZINC000438550145 944778271 /nfs/dbraw/zinc/77/82/71/944778271.db2.gz YCGCFSNDDSSLKY-INIZCTEOSA-N 1 0 355.404 3.924 20 30 FHEDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(C#N)cc1 ZINC000518813993 944808271 /nfs/dbraw/zinc/80/82/71/944808271.db2.gz JDPDNJKHSVIUKH-UTKZUKDTSA-N 1 0 368.525 3.963 20 30 FHEDRO C[N@H+](CCCOc1cccc(Cl)c1)CCC(=O)Nc1ccccc1C#N ZINC000053741897 944814576 /nfs/dbraw/zinc/81/45/76/944814576.db2.gz BJWLWWCNXKZNAD-UHFFFAOYSA-N 1 0 371.868 3.941 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000566787213 944842795 /nfs/dbraw/zinc/84/27/95/944842795.db2.gz LHXZPPXIVONKDN-PZJWPPBQSA-N 1 0 366.509 3.596 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)cc1 ZINC000162786360 944876708 /nfs/dbraw/zinc/87/67/08/944876708.db2.gz DSNNHDYDBPBGNJ-GOSISDBHSA-N 1 0 360.461 3.747 20 30 FHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438645227 944889150 /nfs/dbraw/zinc/88/91/50/944889150.db2.gz DHJXFNDAAXQPFC-CHWSQXEVSA-N 1 0 368.403 3.961 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)CSc2cccc(C(F)(F)F)c2)CC1 ZINC000517982395 944905805 /nfs/dbraw/zinc/90/58/05/944905805.db2.gz NVJYOKUAEBVDRY-UHFFFAOYSA-N 1 0 358.429 3.564 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC3CCCC3)nc2)CC1 ZINC000518005831 944909141 /nfs/dbraw/zinc/90/91/41/944909141.db2.gz ZBIHZZNZARIHBL-UHFFFAOYSA-N 1 0 358.486 3.565 20 30 FHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1C#N ZINC000426482331 944929690 /nfs/dbraw/zinc/92/96/90/944929690.db2.gz KTHCDRWJCUTHBO-APWZRJJASA-N 1 0 354.498 3.905 20 30 FHEDRO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)cc1 ZINC000518914936 944934663 /nfs/dbraw/zinc/93/46/63/944934663.db2.gz QVSITLFODKSEHR-GOSISDBHSA-N 1 0 361.445 3.511 20 30 FHEDRO CCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001270164304 944957340 /nfs/dbraw/zinc/95/73/40/944957340.db2.gz UPPKAGHHXWAFDC-OALUTQOASA-N 1 0 359.514 3.713 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000425707836 944982316 /nfs/dbraw/zinc/98/23/16/944982316.db2.gz XWQOQRQLXKVOAY-VMXMFDLUSA-N 1 0 373.541 3.642 20 30 FHEDRO CCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C)nn1C)C2 ZINC001270165343 944982445 /nfs/dbraw/zinc/98/24/45/944982445.db2.gz HNIOPEAUWRNDSW-UHFFFAOYSA-N 1 0 360.546 3.513 20 30 FHEDRO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000427016660 945017255 /nfs/dbraw/zinc/01/72/55/945017255.db2.gz OUPATCPOMOQORT-IBGZPJMESA-N 1 0 371.843 3.727 20 30 FHEDRO C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000518107323 945030249 /nfs/dbraw/zinc/03/02/49/945030249.db2.gz VVXLJJBFFPATEA-MRXNPFEDSA-N 1 0 367.880 3.806 20 30 FHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000437108853 945030913 /nfs/dbraw/zinc/03/09/13/945030913.db2.gz VLMIALCTZGKLCV-STJZUHDESA-N 1 0 366.421 3.902 20 30 FHEDRO C=C(Cc1ccccc1)C(=O)N1CC[C@H]2C[N@@H+](CCCC(F)(F)F)C[C@H]21 ZINC001270172337 945039169 /nfs/dbraw/zinc/03/91/69/945039169.db2.gz SRBMJRGEXBHCMA-ZWKOTPCHSA-N 1 0 366.427 3.661 20 30 FHEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000507215871 945047771 /nfs/dbraw/zinc/04/77/71/945047771.db2.gz WOZJRYYDQIDPLY-UHFFFAOYSA-N 1 0 373.250 3.724 20 30 FHEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1OC ZINC000516605853 945048905 /nfs/dbraw/zinc/04/89/05/945048905.db2.gz VBZRFHKTHMTQPF-HUUCEWRRSA-N 1 0 354.450 3.866 20 30 FHEDRO N#CC1(NC(=O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)CCCCC1 ZINC000500432371 945058943 /nfs/dbraw/zinc/05/89/43/945058943.db2.gz CRQMSCOVFQCYJQ-UHFFFAOYSA-N 1 0 366.292 3.915 20 30 FHEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330162618 945382136 /nfs/dbraw/zinc/38/21/36/945382136.db2.gz SJGJUZWSKWEZRX-FUHWJXTLSA-N 1 0 362.470 3.619 20 30 FHEDRO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000330166937 945384690 /nfs/dbraw/zinc/38/46/90/945384690.db2.gz YMELJITVZHRIGO-SJORKVTESA-N 1 0 361.530 3.531 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C2(c3ccc(F)cc3)CC2)c1C ZINC000440296943 945385945 /nfs/dbraw/zinc/38/59/45/945385945.db2.gz ZRVDCMKAMNPROB-UHFFFAOYSA-N 1 0 365.452 3.968 20 30 FHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCOc1ccccc1C#N ZINC000507652440 945403932 /nfs/dbraw/zinc/40/39/32/945403932.db2.gz WISBJFCLXDBYQZ-UHFFFAOYSA-N 1 0 360.461 3.892 20 30 FHEDRO Cc1ccccc1NCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330226954 945412170 /nfs/dbraw/zinc/41/21/70/945412170.db2.gz OZUHTCGPCSXNLI-UXHICEINSA-N 1 0 359.514 3.521 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)cc1OC ZINC000507671183 945422741 /nfs/dbraw/zinc/42/27/41/945422741.db2.gz DNISFUJVBJHLBI-UHFFFAOYSA-N 1 0 354.450 3.698 20 30 FHEDRO O=C(C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)Nc1cccc(Br)c1 ZINC000330250187 945425103 /nfs/dbraw/zinc/42/51/03/945425103.db2.gz GSICNURFZYFZPN-VNQPRFMTSA-N 1 0 365.271 3.584 20 30 FHEDRO Cn1cnc(-c2cccc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)c2)n1 ZINC000330252727 945426549 /nfs/dbraw/zinc/42/65/49/945426549.db2.gz AFJFZWZTAMRSKY-GOSISDBHSA-N 1 0 353.470 3.867 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1Br ZINC000330258637 945429228 /nfs/dbraw/zinc/42/92/28/945429228.db2.gz MQJPCSISNARLHJ-NZVBXONLSA-N 1 0 353.260 3.583 20 30 FHEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164239121 945432626 /nfs/dbraw/zinc/43/26/26/945432626.db2.gz FQRDPATWKPFSAS-CVEARBPZSA-N 1 0 374.506 3.968 20 30 FHEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164239004 945432928 /nfs/dbraw/zinc/43/29/28/945432928.db2.gz FQRDPATWKPFSAS-HOTGVXAUSA-N 1 0 374.506 3.968 20 30 FHEDRO CCC[NH+]1CCC(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)CC1 ZINC000330267822 945434142 /nfs/dbraw/zinc/43/41/42/945434142.db2.gz QSXNCXLSBYIXMH-AWEZNQCLSA-N 1 0 358.486 3.540 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC(=O)c2ccccc21)C(C)C ZINC000550294041 945443119 /nfs/dbraw/zinc/44/31/19/945443119.db2.gz YXXOVIIWBVWBQV-WOJBJXKFSA-N 1 0 354.494 3.562 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415011599 945474442 /nfs/dbraw/zinc/47/44/42/945474442.db2.gz QUTHLIYAZVIPGP-RDJZCZTQSA-N 1 0 350.422 3.742 20 30 FHEDRO C=CCc1cc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc(OC)c1O ZINC000507711363 945483580 /nfs/dbraw/zinc/48/35/80/945483580.db2.gz YCYGPHUBBQXPIN-UHFFFAOYSA-N 1 0 361.873 3.816 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1OC ZINC000507725612 945493315 /nfs/dbraw/zinc/49/33/15/945493315.db2.gz QVVSNBZXBMBOSF-UHFFFAOYSA-N 1 0 361.873 3.947 20 30 FHEDRO CC[NH+]=C(NCCc1csc2ccccc12)N1CC[C@@]2(CCOC2)C1 ZINC000262013399 945493593 /nfs/dbraw/zinc/49/35/93/945493593.db2.gz XETOPUTZGGDSBZ-HXUWFJFHSA-N 1 0 357.523 3.522 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000280787074 945504184 /nfs/dbraw/zinc/50/41/84/945504184.db2.gz QBBAIMQDEUPPDE-UHFFFAOYSA-N 1 0 355.463 3.569 20 30 FHEDRO C=CCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(CC)cc1 ZINC000027059585 945510132 /nfs/dbraw/zinc/51/01/32/945510132.db2.gz XKOQPZCNAWRDOP-UHFFFAOYSA-O 1 0 365.478 3.997 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000025664020 945553654 /nfs/dbraw/zinc/55/36/54/945553654.db2.gz NDVGYLLYTPSXAX-DYVFJYSZSA-N 1 0 364.367 3.668 20 30 FHEDRO CC1(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCCCCC1 ZINC000181736792 945577049 /nfs/dbraw/zinc/57/70/49/945577049.db2.gz GYUVICUCBRYFAN-UHFFFAOYSA-N 1 0 353.510 3.953 20 30 FHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000549524190 945579458 /nfs/dbraw/zinc/57/94/58/945579458.db2.gz FUMWOQCICRJJNM-OAHLLOKOSA-N 1 0 354.885 3.990 20 30 FHEDRO C=C(Br)C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000125112568 945599949 /nfs/dbraw/zinc/59/99/49/945599949.db2.gz HVFQAMCPNHUUST-SNVBAGLBSA-N 1 0 361.667 3.564 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](Cc3cccc4[nH]c(=O)oc43)CC2)c(F)c1 ZINC000894421273 945621283 /nfs/dbraw/zinc/62/12/83/945621283.db2.gz CNAXGCLDXYWMSX-UHFFFAOYSA-N 1 0 367.380 3.588 20 30 FHEDRO CC(C)(C#N)c1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000281402989 945623064 /nfs/dbraw/zinc/62/30/64/945623064.db2.gz ZNDSGRGSNHPIMB-UHFFFAOYSA-N 1 0 362.477 3.529 20 30 FHEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)C(=O)N1CCc2sccc2C1 ZINC000443981219 945675529 /nfs/dbraw/zinc/67/55/29/945675529.db2.gz SMJYZMNFMMXZFE-IBGZPJMESA-N 1 0 367.518 3.771 20 30 FHEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000443996523 945690319 /nfs/dbraw/zinc/69/03/19/945690319.db2.gz JMMDDKVOMMDYMT-HNNXBMFYSA-N 1 0 365.395 3.610 20 30 FHEDRO N#C[C@H](c1ccccc1)N1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000440612258 945707599 /nfs/dbraw/zinc/70/75/99/945707599.db2.gz KPBGCAHPECBZNB-HSZRJFAPSA-N 1 0 363.505 3.518 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)cc1Cl ZINC000444006352 945714330 /nfs/dbraw/zinc/71/43/30/945714330.db2.gz WYHJGKIXKQCODW-QGZVFWFLSA-N 1 0 374.916 3.705 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000110663352 945716574 /nfs/dbraw/zinc/71/65/74/945716574.db2.gz KWFKBJSBMWEVRK-HUUCEWRRSA-N 1 0 368.308 3.791 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)c2cc(C#N)oc2C)[NH+](CC)CC)cc1 ZINC000519767427 945724421 /nfs/dbraw/zinc/72/44/21/945724421.db2.gz CBFPBLZZNQUPOJ-HXUWFJFHSA-N 1 0 353.466 3.835 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCS(=O)(=O)c1ccccc1OC ZINC000661115021 945737510 /nfs/dbraw/zinc/73/75/10/945737510.db2.gz OHGNREWHMRQVRM-DLBZAZTESA-N 1 0 351.512 3.584 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000661115494 945739285 /nfs/dbraw/zinc/73/92/85/945739285.db2.gz CYMGIQWYGMYMCN-YLJYHZDGSA-N 1 0 371.525 3.832 20 30 FHEDRO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)n1 ZINC000593077261 945740238 /nfs/dbraw/zinc/74/02/38/945740238.db2.gz PMFXTFVWQZCPMC-HNAYVOBHSA-N 1 0 350.466 3.714 20 30 FHEDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)n1 ZINC000519792067 945745926 /nfs/dbraw/zinc/74/59/26/945745926.db2.gz NOUHFQBHRFAFNQ-AWEZNQCLSA-N 1 0 350.344 3.648 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000661116755 945748581 /nfs/dbraw/zinc/74/85/81/945748581.db2.gz ZWEKGQXLTWEMJR-HNAYVOBHSA-N 1 0 374.506 3.970 20 30 FHEDRO CCCCc1noc([C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000044586862 945756319 /nfs/dbraw/zinc/75/63/19/945756319.db2.gz UAVWAJARVDTMQG-QGZVFWFLSA-N 1 0 367.497 3.553 20 30 FHEDRO CCCCc1noc([C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000044586865 945756482 /nfs/dbraw/zinc/75/64/82/945756482.db2.gz UAVWAJARVDTMQG-KRWDZBQOSA-N 1 0 367.497 3.553 20 30 FHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519828002 945790084 /nfs/dbraw/zinc/79/00/84/945790084.db2.gz YVCSBCOKJMXFQZ-SFHVURJKSA-N 1 0 359.489 3.874 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3ccco3)CC2)c(OC)c1 ZINC000661165690 945803574 /nfs/dbraw/zinc/80/35/74/945803574.db2.gz YFSNMBVAYJEOMY-LJQANCHMSA-N 1 0 371.477 3.636 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415151656 945873997 /nfs/dbraw/zinc/87/39/97/945873997.db2.gz APOYFGMFSHNXHE-PBHICJAKSA-N 1 0 360.527 3.967 20 30 FHEDRO CC[NH+](CC)[C@@H](CNc1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 ZINC000519946924 945916693 /nfs/dbraw/zinc/91/66/93/945916693.db2.gz PXSVPFKUIRXDHQ-KRWDZBQOSA-N 1 0 362.399 3.889 20 30 FHEDRO COc1ccccc1COC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000281927921 945941638 /nfs/dbraw/zinc/94/16/38/945941638.db2.gz HUYVOYWAQJOWQI-UHFFFAOYSA-N 1 0 372.509 3.777 20 30 FHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000651796832 945950260 /nfs/dbraw/zinc/95/02/60/945950260.db2.gz FRMOFWGUGCDZFL-DOMZBBRYSA-N 1 0 361.429 3.943 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000440910556 946022867 /nfs/dbraw/zinc/02/28/67/946022867.db2.gz JDTLKEXNCMTXLH-TZMCWYRMSA-N 1 0 368.399 3.625 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665557286 946026254 /nfs/dbraw/zinc/02/62/54/946026254.db2.gz QOZJSFPEABARAE-ZDUSSCGKSA-N 1 0 355.935 3.972 20 30 FHEDRO CCC(CC)[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000045533359 946065226 /nfs/dbraw/zinc/06/52/26/946065226.db2.gz HWSONMQIFWPPMW-FQEVSTJZSA-N 1 0 356.514 3.600 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000444208964 946071634 /nfs/dbraw/zinc/07/16/34/946071634.db2.gz YWVAZZXDFOTQAL-KRWDZBQOSA-N 1 0 369.431 3.938 20 30 FHEDRO CCN(CC)[C@H](C)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000236871751 946085312 /nfs/dbraw/zinc/08/53/12/946085312.db2.gz JEKQTMBOBIFBFD-GOSISDBHSA-N 1 0 351.494 3.957 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000444235738 946108677 /nfs/dbraw/zinc/10/86/77/946108677.db2.gz FXVSMZGPVVXWAQ-QFIPXVFZSA-N 1 0 361.489 3.522 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000444250531 946125034 /nfs/dbraw/zinc/12/50/34/946125034.db2.gz PDBDVAJCEOZIHH-UHFFFAOYSA-N 1 0 351.425 3.733 20 30 FHEDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000093298523 946215233 /nfs/dbraw/zinc/21/52/33/946215233.db2.gz MSYHWAUSZDIGDF-KRWDZBQOSA-N 1 0 367.411 3.968 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)CCC[NH2+]1 ZINC000662883725 946259447 /nfs/dbraw/zinc/25/94/47/946259447.db2.gz NNXCPACCDALVSM-SFHVURJKSA-N 1 0 363.433 3.649 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccc(C(N)=O)cc2)c1 ZINC000109015147 946316618 /nfs/dbraw/zinc/31/66/18/946316618.db2.gz UPOHGUSFOAHVEU-UHFFFAOYSA-N 1 0 371.440 3.526 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000101561350 946350209 /nfs/dbraw/zinc/35/02/09/946350209.db2.gz IAFCPCHTRJJSHM-UHFFFAOYSA-N 1 0 366.440 3.602 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441283659 946379093 /nfs/dbraw/zinc/37/90/93/946379093.db2.gz BPPLJJZUYBFORJ-SJORKVTESA-N 1 0 360.523 3.652 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441274246 946386422 /nfs/dbraw/zinc/38/64/22/946386422.db2.gz BQDZRXDFMOOFMJ-IRXDYDNUSA-N 1 0 353.384 3.685 20 30 FHEDRO C=CCCO[C@@H](C)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000520305019 946391166 /nfs/dbraw/zinc/39/11/66/946391166.db2.gz MMLRQGMFIQLABZ-KRWDZBQOSA-N 1 0 364.917 3.746 20 30 FHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000520336204 946429198 /nfs/dbraw/zinc/42/91/98/946429198.db2.gz ZCGRVCPBBXQSQR-LJQANCHMSA-N 1 0 363.461 3.711 20 30 FHEDRO C=C(C)[C@H](NC(=O)NCc1ccccc1C[NH2+]C)c1ccc(F)c(F)c1 ZINC000652180000 946442484 /nfs/dbraw/zinc/44/24/84/946442484.db2.gz GDPSUFZBKHZIAY-IBGZPJMESA-N 1 0 359.420 3.801 20 30 FHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000520347187 946454370 /nfs/dbraw/zinc/45/43/70/946454370.db2.gz PRRVVSVJEQOCNO-LJQANCHMSA-N 1 0 363.461 3.955 20 30 FHEDRO Cc1noc(CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000066905986 946499797 /nfs/dbraw/zinc/49/97/97/946499797.db2.gz GNAMDLLQXZZGKG-UHFFFAOYSA-N 1 0 362.433 3.551 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000473898905 946506193 /nfs/dbraw/zinc/50/61/93/946506193.db2.gz XEZZNWHUZQPMSS-UWJYYQICSA-N 1 0 360.498 3.575 20 30 FHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000441377498 946531520 /nfs/dbraw/zinc/53/15/20/946531520.db2.gz LORQELQLWDJYFH-QFIPXVFZSA-N 1 0 363.505 3.826 20 30 FHEDRO Cn1ccc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 ZINC000897054898 946540915 /nfs/dbraw/zinc/54/09/15/946540915.db2.gz KZMLHNLNDKMYIY-NXEZZACHSA-N 1 0 362.264 3.628 20 30 FHEDRO FC1(F)[C@H]2C[N@H+](CCC[C@@H]3CCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897055935 946542096 /nfs/dbraw/zinc/54/20/96/946542096.db2.gz RVADBKJKWBHTDE-BBBLOLIVSA-N 1 0 367.280 3.658 20 30 FHEDRO FC1(F)[C@@H]2C[NH+](CCC[C@H]3CCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897055938 946542187 /nfs/dbraw/zinc/54/21/87/946542187.db2.gz RVADBKJKWBHTDE-IVZWLZJFSA-N 1 0 367.280 3.658 20 30 FHEDRO C=CC1CC[NH+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000441391222 946546984 /nfs/dbraw/zinc/54/69/84/946546984.db2.gz GHLNKKOSJJDMPU-QGZVFWFLSA-N 1 0 350.409 3.681 20 30 FHEDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)C(=O)NC1(C#N)CCCCC1 ZINC000104704402 946574876 /nfs/dbraw/zinc/57/48/76/946574876.db2.gz AFJOCTMMZGTRDU-KXBFYZLASA-N 1 0 357.473 3.988 20 30 FHEDRO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C(C)(C)C ZINC000661755846 946584020 /nfs/dbraw/zinc/58/40/20/946584020.db2.gz RZGUBJMEFSZBFA-INIZCTEOSA-N 1 0 355.438 3.837 20 30 FHEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000523007363 946585502 /nfs/dbraw/zinc/58/55/02/946585502.db2.gz IYWOYYCGJWDKFS-KXBFYZLASA-N 1 0 358.869 3.514 20 30 FHEDRO C=CC[N@@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)C(C)(C)C ZINC000661755305 946591693 /nfs/dbraw/zinc/59/16/93/946591693.db2.gz NVSFQIXISFQPPR-UHFFFAOYSA-N 1 0 361.442 3.549 20 30 FHEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1CCc2ccccc2C1 ZINC000262457588 946645118 /nfs/dbraw/zinc/64/51/18/946645118.db2.gz WZFBECXXZFGXCC-LJQANCHMSA-N 1 0 360.461 3.564 20 30 FHEDRO COc1ccc2cc(CNC(=[NH2+])Nc3cc(OC)ccc3OC)ccc2c1 ZINC000303792210 946692091 /nfs/dbraw/zinc/69/20/91/946692091.db2.gz YGYNZQZTHNJDKS-UHFFFAOYSA-N 1 0 365.433 3.792 20 30 FHEDRO CCOc1ccc(Oc2cc(CNC(=[NH2+])N3CCCCC3)ccn2)cc1 ZINC000303908990 946735099 /nfs/dbraw/zinc/73/50/99/946735099.db2.gz YANMDMJMVKIUHE-UHFFFAOYSA-N 1 0 354.454 3.573 20 30 FHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+][C@@H]2CCn3ccnc3C2)cc1 ZINC000487501601 946738184 /nfs/dbraw/zinc/73/81/84/946738184.db2.gz OFWMVBNXQMCQNI-HXUWFJFHSA-N 1 0 359.477 3.764 20 30 FHEDRO COc1ccccc1SC[C@@H](C)CNC(=[NH2+])NCCc1ccccc1 ZINC000303971826 946751133 /nfs/dbraw/zinc/75/11/33/946751133.db2.gz FDKWGOGGVUPOKE-INIZCTEOSA-N 1 0 357.523 3.570 20 30 FHEDRO C=CCc1cc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc(OC)c1OC ZINC000303983358 946752324 /nfs/dbraw/zinc/75/23/24/946752324.db2.gz RDJJFDUZBIUWOA-UHFFFAOYSA-N 1 0 365.477 3.848 20 30 FHEDRO CCOc1cccc(N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000487365458 946754828 /nfs/dbraw/zinc/75/48/28/946754828.db2.gz POEQSVAQYYVTLX-UHFFFAOYSA-N 1 0 364.493 3.604 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CCCC1 ZINC000661851447 946758262 /nfs/dbraw/zinc/75/82/62/946758262.db2.gz RTQOKZDHGJICAG-GOSISDBHSA-N 1 0 370.493 3.600 20 30 FHEDRO C=CCN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H](C)COC ZINC000665821730 946759541 /nfs/dbraw/zinc/75/95/41/946759541.db2.gz SUTOCLJGEYAZQS-GOSISDBHSA-N 1 0 359.514 3.770 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N[C@@H](c2nccs2)c2ccccc2)CCCC1 ZINC000661852156 946761274 /nfs/dbraw/zinc/76/12/74/946761274.db2.gz MHERRCKJKLAYSS-GOSISDBHSA-N 1 0 355.507 3.827 20 30 FHEDRO N#CC1(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCCC1 ZINC000106829498 946764208 /nfs/dbraw/zinc/76/42/08/946764208.db2.gz KFHFDXOTUCYUFA-UHFFFAOYSA-N 1 0 359.901 3.752 20 30 FHEDRO [NH2+]=C(NCCCSc1ccc(F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000304495821 946782952 /nfs/dbraw/zinc/78/29/52/946782952.db2.gz PPFDXAVRZNWURM-QGZVFWFLSA-N 1 0 359.470 3.736 20 30 FHEDRO [NH2+]=C(NCc1cccc(Cn2cccn2)c1)Nc1cccc2c1CCCC2 ZINC000304671241 946787842 /nfs/dbraw/zinc/78/78/42/946787842.db2.gz MFRGHAKQBJZUBZ-UHFFFAOYSA-N 1 0 359.477 3.737 20 30 FHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)c(O[C@H]2CCOC2)c1 ZINC000305007098 946804111 /nfs/dbraw/zinc/80/41/11/946804111.db2.gz CHMWTDLREOTWCW-IBGZPJMESA-N 1 0 353.466 3.706 20 30 FHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)c(OC)c1 ZINC000282013528 946815635 /nfs/dbraw/zinc/81/56/35/946815635.db2.gz OPPQYLROQDAPAJ-LJQANCHMSA-N 1 0 358.482 3.941 20 30 FHEDRO Cc1ccccc1OCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000305259420 946839437 /nfs/dbraw/zinc/83/94/37/946839437.db2.gz XJXFPEZYCCKSER-UHFFFAOYSA-N 1 0 353.344 3.699 20 30 FHEDRO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000475322682 946858718 /nfs/dbraw/zinc/85/87/18/946858718.db2.gz RBDZZJCPGATFHN-FQEVSTJZSA-N 1 0 350.462 3.598 20 30 FHEDRO CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475309792 946864034 /nfs/dbraw/zinc/86/40/34/946864034.db2.gz YJQBLBZJWYAGPI-IBGZPJMESA-N 1 0 365.502 3.649 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475322814 946898588 /nfs/dbraw/zinc/89/85/88/946898588.db2.gz SOUYNSQYPLOHLN-JOCHJYFZSA-N 1 0 374.488 3.536 20 30 FHEDRO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193121150 946933686 /nfs/dbraw/zinc/93/36/86/946933686.db2.gz XACHDGULKVCKKL-QFIPXVFZSA-N 1 0 361.489 3.616 20 30 FHEDRO CC[C@@H]1C[C@H](C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1 ZINC000475357245 946937654 /nfs/dbraw/zinc/93/76/54/946937654.db2.gz ZHLVLHXHXYQXMK-AHRSYUTCSA-N 1 0 361.917 3.727 20 30 FHEDRO COc1ccccc1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475359641 946942301 /nfs/dbraw/zinc/94/23/01/946942301.db2.gz WQJXDBOECBDJJX-LJQANCHMSA-N 1 0 355.869 3.731 20 30 FHEDRO CC(C)(C)[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000328622440 946959726 /nfs/dbraw/zinc/95/97/26/946959726.db2.gz YETBTYPSAJRIGA-QRQLOZEOSA-N 1 0 365.562 3.881 20 30 FHEDRO C[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[N@H+](C)C1CC1 ZINC000609517832 946961474 /nfs/dbraw/zinc/96/14/74/946961474.db2.gz WASJSGCNDMDLMS-INIZCTEOSA-N 1 0 363.461 3.757 20 30 FHEDRO Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000328656333 946967861 /nfs/dbraw/zinc/96/78/61/946967861.db2.gz NRIWHWLWNRJZQL-VQTJNVASSA-N 1 0 366.509 3.938 20 30 FHEDRO O=C(C[NH2+][C@H]1CCCC12CCOCC2)Nc1cccc(Br)c1 ZINC000328660746 946969444 /nfs/dbraw/zinc/96/94/44/946969444.db2.gz VWPHCAKOCUVHCL-HNNXBMFYSA-N 1 0 367.287 3.976 20 30 FHEDRO C=C(C)CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC001573293937 946971591 /nfs/dbraw/zinc/97/15/91/946971591.db2.gz OTPFLXFDQASQDL-UHFFFAOYSA-N 1 0 351.429 3.974 20 30 FHEDRO Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC(c3ccc(O)cc3)CC1)CCC2 ZINC000328724785 946982218 /nfs/dbraw/zinc/98/22/18/946982218.db2.gz SZJMUMPHUIZCKQ-GOSISDBHSA-N 1 0 368.481 3.568 20 30 FHEDRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328690555 946989242 /nfs/dbraw/zinc/98/92/42/946989242.db2.gz BSYSPICNTPCLAC-FFGOWVMKSA-N 1 0 374.525 3.957 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)c2cn3c(n2)CCCC3)[NH+]2CCCC2)cc1 ZINC000328698254 946993550 /nfs/dbraw/zinc/99/35/50/946993550.db2.gz HMGBBVWCOHSMDW-LJQANCHMSA-N 1 0 352.482 3.670 20 30 FHEDRO NC(=O)C1CCN(c2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000328738079 947004641 /nfs/dbraw/zinc/00/46/41/947004641.db2.gz HFUBKEMXKZCKCJ-UHFFFAOYSA-N 1 0 370.497 3.901 20 30 FHEDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1coc(C2CCOCC2)n1 ZINC000328754354 947010878 /nfs/dbraw/zinc/01/08/78/947010878.db2.gz SHIWALSFWQEMRO-UHFFFAOYSA-N 1 0 361.486 3.528 20 30 FHEDRO O=C(Nc1nccn1-c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000328757620 947013274 /nfs/dbraw/zinc/01/32/74/947013274.db2.gz VDGOSFNXIUXQBI-UHFFFAOYSA-N 1 0 367.497 3.995 20 30 FHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)CN3CCCCCC3=O)c2)CC1 ZINC000328763495 947017346 /nfs/dbraw/zinc/01/73/46/947017346.db2.gz OHHVMBAWPPPMLR-UHFFFAOYSA-N 1 0 371.525 3.778 20 30 FHEDRO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328807663 947030171 /nfs/dbraw/zinc/03/01/71/947030171.db2.gz MFFSGSVWPLCWGR-KCUHQSDYSA-N 1 0 374.525 3.650 20 30 FHEDRO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328811058 947032437 /nfs/dbraw/zinc/03/24/37/947032437.db2.gz MTAXCCSSDHHHRQ-ZSXHRAQDSA-N 1 0 360.498 3.648 20 30 FHEDRO O=C(Nc1cccc2ccsc21)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000328813451 947033574 /nfs/dbraw/zinc/03/35/74/947033574.db2.gz NELNMLSGBODAOA-CQSZACIVSA-N 1 0 359.495 3.728 20 30 FHEDRO C[C@@H]1CN(Cc2cccc(NC(=O)c3ncoc3C3CC3)c2)C[C@@H](C)O1 ZINC000328818969 947035653 /nfs/dbraw/zinc/03/56/53/947035653.db2.gz DSNFZQWTKRLBBF-ZIAGYGMSSA-N 1 0 355.438 3.798 20 30 FHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1 ZINC000328823731 947039417 /nfs/dbraw/zinc/03/94/17/947039417.db2.gz IMMGQYQFHAJHQS-KBAYOESNSA-N 1 0 363.465 3.918 20 30 FHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1 ZINC000328823732 947039676 /nfs/dbraw/zinc/03/96/76/947039676.db2.gz IMMGQYQFHAJHQS-NJAFHUGGSA-N 1 0 363.465 3.918 20 30 FHEDRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C12CCC[NH+]1CCC2 ZINC000328826298 947041902 /nfs/dbraw/zinc/04/19/02/947041902.db2.gz JFXREUIGHYWACD-UHFFFAOYSA-N 1 0 370.280 3.668 20 30 FHEDRO COc1ccc(OC)c(CN2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444598613 947045635 /nfs/dbraw/zinc/04/56/35/947045635.db2.gz SAMWGQYIATXPJN-UHFFFAOYSA-N 1 0 359.514 3.541 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)C2CCC(F)CC2)c(OC)c1 ZINC000662001982 947046580 /nfs/dbraw/zinc/04/65/80/947046580.db2.gz CCRIDQXSBVWIDS-JYPHPWERSA-N 1 0 365.489 3.670 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328789937 947047658 /nfs/dbraw/zinc/04/76/58/947047658.db2.gz QBSSHZYASDIJFW-RDJZCZTQSA-N 1 0 374.481 3.573 20 30 FHEDRO C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)Oc1ccccc1Cl ZINC000262488739 947052118 /nfs/dbraw/zinc/05/21/18/947052118.db2.gz UCZWFEUILBERJT-CJNGLKHVSA-N 1 0 359.857 3.535 20 30 FHEDRO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328838118 947058529 /nfs/dbraw/zinc/05/85/29/947058529.db2.gz NHUUIULXRXEQSQ-DOTOQJQBSA-N 1 0 353.466 3.960 20 30 FHEDRO C=CCN1CC[C@H]([NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)C1=O ZINC000328857536 947067909 /nfs/dbraw/zinc/06/79/09/947067909.db2.gz YDRDBBOMJBMUIG-ZWKOTPCHSA-N 1 0 373.884 3.524 20 30 FHEDRO O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)C12CCC[NH+]1CCC2 ZINC000328859403 947069155 /nfs/dbraw/zinc/06/91/55/947069155.db2.gz VATMVXGFLRVUTK-UHFFFAOYSA-N 1 0 355.463 3.961 20 30 FHEDRO Cc1[nH]c2ccccc2c1CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000328861121 947069946 /nfs/dbraw/zinc/06/99/46/947069946.db2.gz LPPJZXVLJJPDPO-SFHVURJKSA-N 1 0 368.525 3.597 20 30 FHEDRO CC[C@@H](CNC(=O)Nc1cccc(C#N)c1C)[N@@H+]1CCc2ccccc2C1 ZINC000432282354 947075047 /nfs/dbraw/zinc/07/50/47/947075047.db2.gz BYHOZBGGNCHXGL-FQEVSTJZSA-N 1 0 362.477 3.825 20 30 FHEDRO Cc1cc2c(ncnc2N2CC[NH+](CCCCC(C)(C)C#N)CC2)s1 ZINC000444685757 947088178 /nfs/dbraw/zinc/08/81/78/947088178.db2.gz AXVJJZBQNKARKF-UHFFFAOYSA-N 1 0 357.527 3.842 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC(=O)[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000328904691 947088216 /nfs/dbraw/zinc/08/82/16/947088216.db2.gz AHHCGLZWCIWUSD-PDOICOKGSA-N 1 0 372.509 3.758 20 30 FHEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C1CC1 ZINC000328939860 947095361 /nfs/dbraw/zinc/09/53/61/947095361.db2.gz SCBZWDGQMJVZHG-YXJHDRRASA-N 1 0 359.518 3.693 20 30 FHEDRO C[C@H](CC(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NC(=O)C1CCCC1 ZINC000328916267 947107644 /nfs/dbraw/zinc/10/76/44/947107644.db2.gz KDJWMXLFBRVMFQ-ATZDWAIDSA-N 1 0 357.498 3.966 20 30 FHEDRO [NH2+]=C(NCCc1ccccc1C(F)(F)F)N[C@@H]1CCOc2ccccc21 ZINC000262498286 947122138 /nfs/dbraw/zinc/12/21/38/947122138.db2.gz KIMUHVULGZPYLQ-MRXNPFEDSA-N 1 0 363.383 3.676 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](CC(F)(F)F)C2)cc1Cl ZINC000444699956 947124332 /nfs/dbraw/zinc/12/43/32/947124332.db2.gz FJRBKJUSVLHIGC-LLVKDONJSA-N 1 0 359.779 3.815 20 30 FHEDRO CC(C)(C)c1nc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cs1 ZINC000328964352 947127020 /nfs/dbraw/zinc/12/70/20/947127020.db2.gz RQVONYMWNNVEEL-HZPDHXFCSA-N 1 0 365.543 3.513 20 30 FHEDRO COC(=O)[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H]1C ZINC000444700368 947127340 /nfs/dbraw/zinc/12/73/40/947127340.db2.gz GARFAROHGVUCTN-NQIIRXRSSA-N 1 0 362.473 3.770 20 30 FHEDRO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000328973235 947129642 /nfs/dbraw/zinc/12/96/42/947129642.db2.gz AOHJJGLLAPKBSX-HNNXBMFYSA-N 1 0 363.527 3.525 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000432292256 947137034 /nfs/dbraw/zinc/13/70/34/947137034.db2.gz SJTXCUWCRMBLCW-UZLBHIALSA-N 1 0 362.477 3.899 20 30 FHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444711006 947138112 /nfs/dbraw/zinc/13/81/12/947138112.db2.gz WJBVFVFRAQRDHK-DGNOSDGRSA-N 1 0 359.436 3.580 20 30 FHEDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000193017992 947142544 /nfs/dbraw/zinc/14/25/44/947142544.db2.gz ZLHVQRJCRZTZJT-JENIJYKNSA-N 1 0 357.498 3.715 20 30 FHEDRO C=CC[C@H]1[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)CCCC1(C)C ZINC000444782715 947196839 /nfs/dbraw/zinc/19/68/39/947196839.db2.gz JCHXRIRPFIOGLQ-GOSISDBHSA-N 1 0 351.512 3.536 20 30 FHEDRO C=CC[C@@H]1[N@H+](C[C@H](O)COc2c(OC)cccc2OC)CCCC1(C)C ZINC000444776843 947212432 /nfs/dbraw/zinc/21/24/32/947212432.db2.gz CWKFSRWGTLAANJ-LPHOPBHVSA-N 1 0 363.498 3.510 20 30 FHEDRO N#CCCN(C(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1)c1ccccc1 ZINC000055102837 947220188 /nfs/dbraw/zinc/22/01/88/947220188.db2.gz VPEONGYSLZLXNQ-UHFFFAOYSA-N 1 0 363.461 3.518 20 30 FHEDRO C[C@@H]1CN(c2ccc(NCc3ccc(F)c(C#N)c3Cl)cn2)C[C@@H](C)O1 ZINC000475443305 947258383 /nfs/dbraw/zinc/25/83/83/947258383.db2.gz IZIQXBFALUXKHH-CHWSQXEVSA-N 1 0 374.847 3.971 20 30 FHEDRO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC001271497257 947270113 /nfs/dbraw/zinc/27/01/13/947270113.db2.gz LVUDQUVEJDSBPN-DZFGPLHGSA-N 1 0 353.510 3.921 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330977343 947324744 /nfs/dbraw/zinc/32/47/44/947324744.db2.gz FOIHNRBUPGYHIO-DGCLKSJQSA-N 1 0 350.532 3.592 20 30 FHEDRO CO[C@H](C)c1nc(C)c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000331126656 947353676 /nfs/dbraw/zinc/35/36/76/947353676.db2.gz RLSVPLJGEBEINP-TZMCWYRMSA-N 1 0 353.532 3.974 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)ccc2OC(C)C)C[C@@H]1C ZINC000331135694 947354314 /nfs/dbraw/zinc/35/43/14/947354314.db2.gz PXZRMCBNYVSSEA-HOTGVXAUSA-N 1 0 363.502 3.833 20 30 FHEDRO CC(C)C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1cccs1 ZINC000331217854 947371738 /nfs/dbraw/zinc/37/17/38/947371738.db2.gz GSRFICXAGLJKAN-HOTGVXAUSA-N 1 0 367.559 3.526 20 30 FHEDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000331274053 947375731 /nfs/dbraw/zinc/37/57/31/947375731.db2.gz BIEBYLIZWMIGSP-UHFFFAOYSA-N 1 0 364.446 3.582 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2sc(C)c(C)c2C(=O)OC)C[C@@H]1C ZINC000331277774 947375951 /nfs/dbraw/zinc/37/59/51/947375951.db2.gz JOZMVDASXVFACJ-FZMZJTMJSA-N 1 0 367.515 3.502 20 30 FHEDRO Cc1ccc(NC(=O)N(C)C)cc1NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000331242491 947380005 /nfs/dbraw/zinc/38/00/05/947380005.db2.gz PLTKLTCUAPZZCX-SFHVURJKSA-N 1 0 360.502 3.551 20 30 FHEDRO C=CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000523610205 947415874 /nfs/dbraw/zinc/41/58/74/947415874.db2.gz FWUOPIKTAJGDFU-CQSZACIVSA-N 1 0 365.315 3.694 20 30 FHEDRO CC(C)Cc1ccc([C@H](CNC(=O)c2cccc(CC#N)c2)[NH+](C)C)cc1 ZINC000520450135 947450501 /nfs/dbraw/zinc/45/05/01/947450501.db2.gz CEXSNFDHYJLFSB-QFIPXVFZSA-N 1 0 363.505 3.984 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000162883000 947587330 /nfs/dbraw/zinc/58/73/30/947587330.db2.gz MCYCOGGNIJIESA-UHFFFAOYSA-N 1 0 374.488 3.651 20 30 FHEDRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000027739505 947653829 /nfs/dbraw/zinc/65/38/29/947653829.db2.gz RFTMRQOKDQGJGE-UHFFFAOYSA-N 1 0 357.841 3.681 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1CCCCCC1 ZINC000520467465 947723941 /nfs/dbraw/zinc/72/39/41/947723941.db2.gz SICWZGMOGAGVOT-MRXNPFEDSA-N 1 0 364.449 3.949 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000487389337 947768103 /nfs/dbraw/zinc/76/81/03/947768103.db2.gz CWVJNZHOIVEURX-UHFFFAOYSA-N 1 0 363.505 3.684 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CCC[NH2+]1 ZINC000662462547 947835386 /nfs/dbraw/zinc/83/53/86/947835386.db2.gz KSVIJHYWCHOJGV-SFHVURJKSA-N 1 0 363.433 3.649 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)CCC[NH2+]1 ZINC000662537269 947900425 /nfs/dbraw/zinc/90/04/25/947900425.db2.gz ZIMBDTAFDNOROG-JTSKRJEESA-N 1 0 369.509 3.646 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CCC[NH2+]1 ZINC000662603170 947927782 /nfs/dbraw/zinc/92/77/82/947927782.db2.gz TXOYDEUAQXAOGN-KRWDZBQOSA-N 1 0 364.371 3.528 20 30 FHEDRO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1c[nH]c2ccccc12 ZINC000190481452 947987009 /nfs/dbraw/zinc/98/70/09/947987009.db2.gz IPOYVTGSUVATFQ-UHFFFAOYSA-N 1 0 352.482 3.675 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CCC[NH2+]1 ZINC000662697668 947989278 /nfs/dbraw/zinc/98/92/78/947989278.db2.gz AAKFDABHVDJZCH-HXUWFJFHSA-N 1 0 371.868 3.951 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000106275660 948122651 /nfs/dbraw/zinc/12/26/51/948122651.db2.gz UBFGUPYWQUBFHZ-UHFFFAOYSA-N 1 0 374.916 3.704 20 30 FHEDRO C=CCn1c(SC[C@@H]2CCCC[N@H+]2C(C)C)nnc1-c1ccncc1 ZINC000549622335 948204358 /nfs/dbraw/zinc/20/43/58/948204358.db2.gz YLXPNDZJEPSUQM-KRWDZBQOSA-N 1 0 357.527 3.881 20 30 FHEDRO C=CCN(C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H](C)COC ZINC000663581933 948249934 /nfs/dbraw/zinc/24/99/34/948249934.db2.gz UMQHGIPAOPTOTQ-IBGZPJMESA-N 1 0 373.541 3.651 20 30 FHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1cccc(C#N)c1 ZINC000512041972 948273355 /nfs/dbraw/zinc/27/33/55/948273355.db2.gz WNKGUAFKBAYIKP-UHFFFAOYSA-N 1 0 372.428 3.865 20 30 FHEDRO N#Cc1ccc2ncc(CN[C@H](C[NH+]3CCCCC3)c3ccccc3)n2c1 ZINC000585766873 948278006 /nfs/dbraw/zinc/27/80/06/948278006.db2.gz NAIPASGTESWSFH-OAQYLSRUSA-N 1 0 359.477 3.523 20 30 FHEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000585794473 948297896 /nfs/dbraw/zinc/29/78/96/948297896.db2.gz ZAVGEFJMSQFXGJ-OAQYLSRUSA-N 1 0 366.484 3.918 20 30 FHEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(C#N)cn3)CC1)CCCO2 ZINC000585794069 948301577 /nfs/dbraw/zinc/30/15/77/948301577.db2.gz AUUXCRSVEGVTLZ-FQEVSTJZSA-N 1 0 362.477 3.734 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000093797323 948322867 /nfs/dbraw/zinc/32/28/67/948322867.db2.gz MNUASDUJXZFYNW-MRXNPFEDSA-N 1 0 373.394 3.769 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000280823942 948353192 /nfs/dbraw/zinc/35/31/92/948353192.db2.gz NSFJAPNWAVIKLQ-BLIXFSHQSA-N 1 0 355.482 3.572 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH2+]CCCN(C)c2ccccc2F)cc1 ZINC000237196650 948358055 /nfs/dbraw/zinc/35/80/55/948358055.db2.gz QWMIMGOAUFWDBK-UHFFFAOYSA-N 1 0 354.473 3.792 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000585816123 948431946 /nfs/dbraw/zinc/43/19/46/948431946.db2.gz YFZVROYNKTXVKJ-GJZGRUSLSA-N 1 0 359.433 3.626 20 30 FHEDRO CC(C)[NH+]1CCN(Cc2ccc(N[C@H]3CC[C@H](C#N)CC3)c(F)c2)CC1 ZINC001167846880 948469969 /nfs/dbraw/zinc/46/99/69/948469969.db2.gz GEYVZFLGKHEEKQ-UAPYVXQJSA-N 1 0 358.505 3.846 20 30 FHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CSC[C@@H]2C)c1C#N ZINC000512164633 948595510 /nfs/dbraw/zinc/59/55/10/948595510.db2.gz OMCCBTXKIJRNBW-SCLBCKFNSA-N 1 0 374.554 3.761 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C12CCCCC2 ZINC000279213235 948624682 /nfs/dbraw/zinc/62/46/82/948624682.db2.gz HDBMEHHOJJLCMU-ZWKOTPCHSA-N 1 0 366.465 3.826 20 30 FHEDRO CC[N@H+](CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C)C1CC1 ZINC000152108374 948744916 /nfs/dbraw/zinc/74/49/16/948744916.db2.gz VBFXSNRRTOJZNC-UHFFFAOYSA-N 1 0 363.461 3.869 20 30 FHEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000523975764 948751843 /nfs/dbraw/zinc/75/18/43/948751843.db2.gz QAJMZZPXWQBEPV-QGZVFWFLSA-N 1 0 360.498 3.531 20 30 FHEDRO CC(C)(O)C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000428404099 948821795 /nfs/dbraw/zinc/82/17/95/948821795.db2.gz BPSUXKKVZMGHHH-UHFFFAOYSA-N 1 0 350.462 3.873 20 30 FHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c1 ZINC000481363701 567823470 /nfs/dbraw/zinc/82/34/70/567823470.db2.gz YPDDNGLZZRTHMA-IBGZPJMESA-N 1 0 365.452 3.583 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)ccc1OC ZINC000060926902 567857802 /nfs/dbraw/zinc/85/78/02/567857802.db2.gz GMSHFKIWVBPJHT-QGZVFWFLSA-N 1 0 355.434 3.580 20 30 FHEDRO N#Cc1cccc(OCCCCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000150812391 567929505 /nfs/dbraw/zinc/92/95/05/567929505.db2.gz CTUREMSGHMRRQM-FQEVSTJZSA-N 1 0 369.509 3.584 20 30 FHEDRO CC(C)[NH+]1CCC(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000602304570 567965147 /nfs/dbraw/zinc/96/51/47/567965147.db2.gz AGRYPWANNUEULZ-UHFFFAOYSA-N 1 0 357.542 3.818 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000186688527 567969628 /nfs/dbraw/zinc/96/96/28/567969628.db2.gz NOXKJYHFUPWQQZ-UHFFFAOYSA-N 1 0 352.400 3.504 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000602515858 567986605 /nfs/dbraw/zinc/98/66/05/567986605.db2.gz DJLSYQIEKMGLDH-CQSZACIVSA-N 1 0 356.388 3.816 20 30 FHEDRO CC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000602519419 567987013 /nfs/dbraw/zinc/98/70/13/567987013.db2.gz XZUHGLNDCBSTHZ-PKOBYXMFSA-N 1 0 357.498 3.668 20 30 FHEDRO Cc1ccccc1C1(C[NH2+][C@H](C)CC2(C#N)CCOCC2)CCOCC1 ZINC000602520773 567987222 /nfs/dbraw/zinc/98/72/22/567987222.db2.gz JJEZIRZKMPIUIY-LJQANCHMSA-N 1 0 356.510 3.732 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000602524145 567987531 /nfs/dbraw/zinc/98/75/31/567987531.db2.gz CDGUTNZZOSAVAY-KRWDZBQOSA-N 1 0 360.473 3.562 20 30 FHEDRO CCC[C@H]([NH2+]C[C@@H](C)CCC#N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000602526264 567987806 /nfs/dbraw/zinc/98/78/06/567987806.db2.gz GQZJTQLTJMSRBK-PXNSSMCTSA-N 1 0 356.514 3.923 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000602528939 567988119 /nfs/dbraw/zinc/98/81/19/567988119.db2.gz RNSMXPYURQPGCI-KRWDZBQOSA-N 1 0 352.482 3.835 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000602529911 567988239 /nfs/dbraw/zinc/98/82/39/567988239.db2.gz PUTHOXNXSPERQO-QGZVFWFLSA-N 1 0 364.493 3.550 20 30 FHEDRO COc1cccc([C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N2CCCC2)c1 ZINC000602505250 567988678 /nfs/dbraw/zinc/98/86/78/567988678.db2.gz YFBCGWPTTGDGBO-GHTZIAJQSA-N 1 0 371.525 3.521 20 30 FHEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602576988 567993250 /nfs/dbraw/zinc/99/32/50/567993250.db2.gz DYBWHGVGSHRKBG-IRXDYDNUSA-N 1 0 360.498 3.571 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000602585102 567994224 /nfs/dbraw/zinc/99/42/24/567994224.db2.gz MJODHQCYCQUUOK-YOEHRIQHSA-N 1 0 367.415 3.726 20 30 FHEDRO CC(C)Oc1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)ccc1Br ZINC000602603378 567996907 /nfs/dbraw/zinc/99/69/07/567996907.db2.gz ZCHYLRGZFOUMQT-AWEZNQCLSA-N 1 0 368.275 3.586 20 30 FHEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000602598335 568000102 /nfs/dbraw/zinc/00/01/02/568000102.db2.gz HLMYNVXRCGETPB-WMZOPIPTSA-N 1 0 365.481 3.781 20 30 FHEDRO CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000602599908 568000476 /nfs/dbraw/zinc/00/04/76/568000476.db2.gz TWTKGAHICIIMOA-HXUWFJFHSA-N 1 0 365.477 3.635 20 30 FHEDRO CSc1ccc([C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N(C)C)cc1 ZINC000602673499 568008518 /nfs/dbraw/zinc/00/85/18/568008518.db2.gz VDVRCHRZXJQKEI-VQIMIIECSA-N 1 0 361.555 3.700 20 30 FHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1c(F)cccc1C#N ZINC000568305890 568013159 /nfs/dbraw/zinc/01/31/59/568013159.db2.gz FACXKPWCFPCKOA-OAQYLSRUSA-N 1 0 367.468 3.513 20 30 FHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 ZINC000481526208 568016079 /nfs/dbraw/zinc/01/60/79/568016079.db2.gz FOBCNJNVTDBSIS-LJQANCHMSA-N 1 0 365.452 3.583 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000602714014 568019647 /nfs/dbraw/zinc/01/96/47/568019647.db2.gz FJGYBTGHFBIFSH-AEFFLSMTSA-N 1 0 350.466 3.548 20 30 FHEDRO N#Cc1cnn2cc(C[N@@H+]3CCCC[C@H]3CCCc3ccccc3)cnc12 ZINC000568392487 568036725 /nfs/dbraw/zinc/03/67/25/568036725.db2.gz DPDTXWUPUDGKOJ-NRFANRHFSA-N 1 0 359.477 3.978 20 30 FHEDRO CN1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000568449182 568039221 /nfs/dbraw/zinc/03/92/21/568039221.db2.gz ULTVVGFAEZSQTA-WOJBJXKFSA-N 1 0 355.869 3.625 20 30 FHEDRO N#CCC1(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)CC1 ZINC000602816833 568043870 /nfs/dbraw/zinc/04/38/70/568043870.db2.gz CSUPTAUOGZOXFH-UHFFFAOYSA-N 1 0 354.372 3.874 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602837870 568050647 /nfs/dbraw/zinc/05/06/47/568050647.db2.gz PLGXONRZFOKFDH-APWZRJJASA-N 1 0 358.486 3.563 20 30 FHEDRO C=CCOc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1Cl ZINC000066969602 568072635 /nfs/dbraw/zinc/07/26/35/568072635.db2.gz DHPWYUGDBFDQAC-MRXNPFEDSA-N 1 0 353.813 3.751 20 30 FHEDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481650435 568080513 /nfs/dbraw/zinc/08/05/13/568080513.db2.gz NSFBWVKDUIMJMP-JOCHJYFZSA-N 1 0 361.489 3.964 20 30 FHEDRO CC(=O)Nc1cccc(OCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481667997 568083628 /nfs/dbraw/zinc/08/36/28/568083628.db2.gz SUQZNYAIPJYDPJ-QFIPXVFZSA-N 1 0 363.461 3.953 20 30 FHEDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603464523 568105375 /nfs/dbraw/zinc/10/53/75/568105375.db2.gz YOZQPCMPXWXOOE-VQIMIIECSA-N 1 0 364.445 3.932 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000181889871 568121217 /nfs/dbraw/zinc/12/12/17/568121217.db2.gz SKZFHWPZBWBKSU-SJLPKXTDSA-N 1 0 365.477 3.753 20 30 FHEDRO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)n2)c1 ZINC000481808705 568130716 /nfs/dbraw/zinc/13/07/16/568130716.db2.gz IMTMYCIKFSUCKU-UHFFFAOYSA-N 1 0 371.444 3.592 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000603823250 568150033 /nfs/dbraw/zinc/15/00/33/568150033.db2.gz UBKNNKOAYXMHMW-GDZNZVCISA-N 1 0 355.404 3.799 20 30 FHEDRO COc1ccc2nc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccc2c1 ZINC000603845360 568156964 /nfs/dbraw/zinc/15/69/64/568156964.db2.gz NIKAUTNBJKMFKT-UHFFFAOYSA-N 1 0 372.472 3.827 20 30 FHEDRO CC(C)c1csc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000181910384 568175729 /nfs/dbraw/zinc/17/57/29/568175729.db2.gz FUPWFJBUEWHJAH-UHFFFAOYSA-N 1 0 354.523 3.892 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000481918632 568183440 /nfs/dbraw/zinc/18/34/40/568183440.db2.gz IAXWTIBQPHRYRT-IIBYNOLFSA-N 1 0 372.415 3.633 20 30 FHEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000603954691 568189218 /nfs/dbraw/zinc/18/92/18/568189218.db2.gz DDZDDWZWWKZWNL-IAGOWNOFSA-N 1 0 357.498 3.856 20 30 FHEDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000603955192 568189342 /nfs/dbraw/zinc/18/93/42/568189342.db2.gz XULVNXYBPWFRPZ-IRLDBZIGSA-N 1 0 350.462 3.638 20 30 FHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000330308178 568222085 /nfs/dbraw/zinc/22/20/85/568222085.db2.gz SPBNQXGRJQXKJK-HNAYVOBHSA-N 1 0 358.442 3.638 20 30 FHEDRO N#CC1(NC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)CCCCC1 ZINC000302594779 568233117 /nfs/dbraw/zinc/23/31/17/568233117.db2.gz QCFVPPLXTGHMCN-OAQYLSRUSA-N 1 0 361.489 3.903 20 30 FHEDRO CC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000604315987 568245986 /nfs/dbraw/zinc/24/59/86/568245986.db2.gz MKZPJKAALOGCNP-UZLBHIALSA-N 1 0 356.441 3.715 20 30 FHEDRO Cn1c(C[NH2+]CCOc2ccc(C#N)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000150846747 568255634 /nfs/dbraw/zinc/25/56/34/568255634.db2.gz BQLUHMKNKZAJHS-UHFFFAOYSA-N 1 0 374.366 3.632 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)cc1 ZINC000604340647 568262106 /nfs/dbraw/zinc/26/21/06/568262106.db2.gz ZIEJCZCNDCRNRY-SFHVURJKSA-N 1 0 360.404 3.562 20 30 FHEDRO CN(Cc1ccc(Cl)s1)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000569096975 568274893 /nfs/dbraw/zinc/27/48/93/568274893.db2.gz UYPUVJCUAXGXOT-UHFFFAOYSA-N 1 0 359.882 3.510 20 30 FHEDRO N#CCCCOc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000604384832 568288014 /nfs/dbraw/zinc/28/80/14/568288014.db2.gz HSDPTMLYFJECGD-OAQYLSRUSA-N 1 0 363.461 3.972 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000482126152 568296195 /nfs/dbraw/zinc/29/61/95/568296195.db2.gz LSFNVKXXQXCIGC-VDZJLULYSA-N 1 0 374.529 3.585 20 30 FHEDRO CC(C)C[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604500662 568301626 /nfs/dbraw/zinc/30/16/26/568301626.db2.gz BQFVROPXJCSQRD-FQEVSTJZSA-N 1 0 370.468 3.790 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1OCCCC#N ZINC000563150149 568304395 /nfs/dbraw/zinc/30/43/95/568304395.db2.gz MOADQLNKKVUNED-OALUTQOASA-N 1 0 358.482 3.769 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)cc1OCCCC#N ZINC000604512418 568306594 /nfs/dbraw/zinc/30/65/94/568306594.db2.gz IFGBOHWMLWWZBN-ZWKOTPCHSA-N 1 0 359.514 3.730 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)C(C)C ZINC000604746788 568356412 /nfs/dbraw/zinc/35/64/12/568356412.db2.gz ITBQISQEIKWIDQ-FRQCXROJSA-N 1 0 362.464 3.883 20 30 FHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1nccs1 ZINC000584707250 568362637 /nfs/dbraw/zinc/36/26/37/568362637.db2.gz BSZFRALKSNMMST-NEPJUHHUSA-N 1 0 374.535 3.880 20 30 FHEDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000569542339 568406609 /nfs/dbraw/zinc/40/66/09/568406609.db2.gz UDNVQVKYNYWNGB-IBGZPJMESA-N 1 0 357.454 3.751 20 30 FHEDRO CSc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2Cl)[NH+](C)C)cc1 ZINC000570122473 568452359 /nfs/dbraw/zinc/45/23/59/568452359.db2.gz DFYAEVIWTBXBQZ-SFHVURJKSA-N 1 0 373.909 3.966 20 30 FHEDRO Cc1c(C[N@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)cnn1C ZINC000570639264 568492834 /nfs/dbraw/zinc/49/28/34/568492834.db2.gz JBHYHEMJEFIWPX-UHFFFAOYSA-N 1 0 360.461 3.811 20 30 FHEDRO N#Cc1cccc(C2([NH2+]CCOc3ccccc3Br)CC2)c1 ZINC000570746098 568515611 /nfs/dbraw/zinc/51/56/11/568515611.db2.gz VBEIAQSSMFCAJD-UHFFFAOYSA-N 1 0 357.251 3.978 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000570764541 568523394 /nfs/dbraw/zinc/52/33/94/568523394.db2.gz WOPAAISOFLGGOG-IBGZPJMESA-N 1 0 354.429 3.684 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cccc(C#N)c2)CC1 ZINC000570903288 568627890 /nfs/dbraw/zinc/62/78/90/568627890.db2.gz KSEXLRZYLWTNFP-UHFFFAOYSA-N 1 0 369.852 3.937 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000050089929 568699148 /nfs/dbraw/zinc/69/91/48/568699148.db2.gz FUIBSENZRSAPRR-YJBOKZPZSA-N 1 0 364.449 3.524 20 30 FHEDRO Cc1noc(C)c1[C@@H](C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182060152 568707189 /nfs/dbraw/zinc/70/71/89/568707189.db2.gz RWIPRGRYTPLEJL-HNNXBMFYSA-N 1 0 352.482 3.521 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000050108303 568727957 /nfs/dbraw/zinc/72/79/57/568727957.db2.gz DFHKQFOHYGCYTK-QGZVFWFLSA-N 1 0 368.437 3.509 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000324151075 568730315 /nfs/dbraw/zinc/73/03/15/568730315.db2.gz BOHCGOYEDSYXCM-SWLSCSKDSA-N 1 0 365.260 3.956 20 30 FHEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)ccc1F ZINC000225537076 571161171 /nfs/dbraw/zinc/16/11/71/571161171.db2.gz VPHQWDDJRXMPHU-GFCCVEGCSA-N 1 0 352.335 3.819 20 30 FHEDRO N#CCCCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(F)c1 ZINC000737688409 598354849 /nfs/dbraw/zinc/35/48/49/598354849.db2.gz TXNADPGHOXHKCE-UHFFFAOYSA-N 1 0 364.428 3.702 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(C)nc2ccccc12 ZINC000735426228 599443473 /nfs/dbraw/zinc/44/34/73/599443473.db2.gz MHOOGDQDFZVIRI-UHFFFAOYSA-N 1 0 370.460 3.912 20 30 FHEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824530418 609152235 /nfs/dbraw/zinc/15/22/35/609152235.db2.gz KYYADRTWDCZUBO-UGSOOPFHSA-N 1 0 350.401 3.701 20 30 FHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@H]43)cnc2Cl)cc1 ZINC001164410838 718877614 /nfs/dbraw/zinc/87/76/14/718877614.db2.gz IDRFBSJLJJDIIN-DLBZAZTESA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164421257 718891821 /nfs/dbraw/zinc/89/18/21/718891821.db2.gz WOOYQLHECXCKGU-HNNXBMFYSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cc(F)c(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623828 719054349 /nfs/dbraw/zinc/05/43/49/719054349.db2.gz NDYMKTUOJZZDFI-CRAIPNDOSA-N 1 0 370.859 3.847 20 30 FHEDRO C[NH+](C)CC1CCN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC1 ZINC001165042525 721951036 /nfs/dbraw/zinc/95/10/36/721951036.db2.gz NWACPVPFDNSODX-UHFFFAOYSA-N 1 0 371.872 3.572 20 30 FHEDRO N#Cc1cc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164991096 722190730 /nfs/dbraw/zinc/19/07/30/722190730.db2.gz YPQGXBDSKMVLBR-HXUWFJFHSA-N 1 0 370.859 3.991 20 30 FHEDRO Cc1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C#N ZINC001164995120 722199105 /nfs/dbraw/zinc/19/91/05/722199105.db2.gz RUKTZBUKELGBLT-NRFANRHFSA-N 1 0 350.441 3.646 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507241585 945067309 /nfs/dbraw/zinc/06/73/09/945067309.db2.gz ALJZTBWSQFVKHC-VXGBXAGGSA-N 1 0 367.840 3.766 20 30 FHEDRO CCOCCC[N@@H+]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)[C@@H](C)C1 ZINC000246850133 927221689 /nfs/dbraw/zinc/22/16/89/927221689.db2.gz QRBQBPGTRMETSB-DZGCQCFKSA-N 1 0 370.419 3.521 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1sccc1C#N ZINC000175275959 927243713 /nfs/dbraw/zinc/24/37/13/927243713.db2.gz DZBGOMGGRVRIHH-KRWDZBQOSA-N 1 0 353.491 3.604 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1[nH]c(=O)c2ccccc2c1C)C(C)C ZINC000654781649 927312086 /nfs/dbraw/zinc/31/20/86/927312086.db2.gz LXLBZIPILLRELB-IBGZPJMESA-N 1 0 367.493 3.677 20 30 FHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)nc1 ZINC000430166272 927489363 /nfs/dbraw/zinc/48/93/63/927489363.db2.gz QPHMKGQAWXIZJU-OAQYLSRUSA-N 1 0 356.429 3.669 20 30 FHEDRO COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430173460 927520461 /nfs/dbraw/zinc/52/04/61/927520461.db2.gz WIMHKMMQIVMAFY-GOSISDBHSA-N 1 0 359.429 3.768 20 30 FHEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)OCC ZINC000535944344 937181365 /nfs/dbraw/zinc/18/13/65/937181365.db2.gz VHTJSUAKQVDERR-HXUWFJFHSA-N 1 0 360.498 3.861 20 30 FHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](CCCCCOc3ccccc3)C2)nc1 ZINC000430186234 927657918 /nfs/dbraw/zinc/65/79/18/927657918.db2.gz MJKSJKBYXYDZPQ-HXUWFJFHSA-N 1 0 351.450 3.656 20 30 FHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(C(=O)N(CC)CC)CC2)c1O ZINC000120225523 927805332 /nfs/dbraw/zinc/80/53/32/927805332.db2.gz VCKTZLDRRUZHNE-UHFFFAOYSA-N 1 0 374.525 3.600 20 30 FHEDRO C[C@H]1C[C@@H](CCNC(=O)c2cc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000510085195 927970910 /nfs/dbraw/zinc/97/09/10/927970910.db2.gz LSAGRFCDRNDOEL-DOTOQJQBSA-N 1 0 353.491 3.650 20 30 FHEDRO C=C(C)[C@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000187778757 937218692 /nfs/dbraw/zinc/21/86/92/937218692.db2.gz HYQKUTPJERYBAG-SFHVURJKSA-N 1 0 359.376 3.520 20 30 FHEDRO C[C@@H](C(=O)N1CCC(CCC#N)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000579837214 928344147 /nfs/dbraw/zinc/34/41/47/928344147.db2.gz WDJFVHHNLSFXPS-IBGZPJMESA-N 1 0 367.537 3.872 20 30 FHEDRO C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000023450736 928644532 /nfs/dbraw/zinc/64/45/32/928644532.db2.gz NRBZHIKKQNVLQX-LJQANCHMSA-N 1 0 361.489 3.786 20 30 FHEDRO C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000023450734 928644766 /nfs/dbraw/zinc/64/47/66/928644766.db2.gz NRBZHIKKQNVLQX-IBGZPJMESA-N 1 0 361.489 3.786 20 30 FHEDRO C=CCN1C(=O)/C(=C/c2ccc(OCC[NH+]3CCCC3)cc2)SC1=S ZINC000120544878 928910864 /nfs/dbraw/zinc/91/08/64/928910864.db2.gz SKEODIXIHVADTK-VKAVYKQESA-N 1 0 374.531 3.548 20 30 FHEDRO CC[N@H+](CCc1ccc(C#N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208926047 929015032 /nfs/dbraw/zinc/01/50/32/929015032.db2.gz GRJILNQBSHIZFG-UHFFFAOYSA-N 1 0 357.498 3.822 20 30 FHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1OC ZINC000109373669 929159504 /nfs/dbraw/zinc/15/95/04/929159504.db2.gz VEFIBVIHSBORKM-UHFFFAOYSA-N 1 0 372.509 3.644 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2ccc3c(c2)CC(=O)N3)c(O)c1 ZINC000255031401 929350362 /nfs/dbraw/zinc/35/03/62/929350362.db2.gz XWBQWFLEPOVZNW-CRRPLPBISA-N 1 0 351.450 3.913 20 30 FHEDRO Cn1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000180206083 929420277 /nfs/dbraw/zinc/42/02/77/929420277.db2.gz YEFACMHJGDEAFE-OALUTQOASA-N 1 0 352.507 3.819 20 30 FHEDRO C=CCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OCC ZINC001209206906 929502534 /nfs/dbraw/zinc/50/25/34/929502534.db2.gz COFGYPBLUDBGBH-SFHVURJKSA-N 1 0 361.482 3.913 20 30 FHEDRO C=CCn1c(SCCCn2ccnc2)nc2sc(C)c(C)c2c1=O ZINC000180429418 929509791 /nfs/dbraw/zinc/50/97/91/929509791.db2.gz RRYYYGOJFHPUPT-UHFFFAOYSA-N 1 0 360.508 3.640 20 30 FHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(C#N)s2)CC1 ZINC000471239478 929560687 /nfs/dbraw/zinc/56/06/87/929560687.db2.gz SQXOJNCOKJXBDV-UHFFFAOYSA-N 1 0 368.506 3.650 20 30 FHEDRO Cn1c2ccccc2nc1[C@H]([NH2+]CCCSCC#N)c1ccccc1 ZINC000125956999 937346973 /nfs/dbraw/zinc/34/69/73/937346973.db2.gz RGEMSRDERDFSQW-LJQANCHMSA-N 1 0 350.491 3.899 20 30 FHEDRO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728268983 929830863 /nfs/dbraw/zinc/83/08/63/929830863.db2.gz XLHBUXIPBMXAIS-QGZVFWFLSA-N 1 0 364.493 3.570 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2cccc3cccc(Br)c32)CC1 ZINC000510310374 929940850 /nfs/dbraw/zinc/94/08/50/929940850.db2.gz KMAHUZVAMIWMOY-UHFFFAOYSA-N 1 0 373.294 3.983 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)ccc1OC ZINC000123262234 929951888 /nfs/dbraw/zinc/95/18/88/929951888.db2.gz FCSBWWOQWORJMK-FXAWDEMLSA-N 1 0 355.478 3.732 20 30 FHEDRO Cc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c(OCC[NH+](C)C)c1 ZINC000610326477 929965851 /nfs/dbraw/zinc/96/58/51/929965851.db2.gz VHZMIIPMFNPJQP-INIZCTEOSA-N 1 0 366.465 3.690 20 30 FHEDRO CC[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000278215708 937375117 /nfs/dbraw/zinc/37/51/17/937375117.db2.gz IHDOWFXVILIWLU-LEWJYISDSA-N 1 0 363.461 3.917 20 30 FHEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175856986 930025277 /nfs/dbraw/zinc/02/52/77/930025277.db2.gz AWNAWQOZLYOHDQ-MSOLQXFVSA-N 1 0 362.539 3.617 20 30 FHEDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000610341075 930036519 /nfs/dbraw/zinc/03/65/19/930036519.db2.gz WIVGTPDIODQWPO-CVEARBPZSA-N 1 0 369.440 3.820 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1Br ZINC000610346170 930046187 /nfs/dbraw/zinc/04/61/87/930046187.db2.gz NGYMDHFZGMZMCO-QWHCGFSZSA-N 1 0 372.266 3.999 20 30 FHEDRO CCCc1cc[n+](C(C(=O)c2nccs2)C(=S)N[C@H](C)CC)cc1 ZINC000278223167 937384477 /nfs/dbraw/zinc/38/44/77/937384477.db2.gz JKYCBRNGNUPXTH-CYBMUJFWSA-O 1 0 362.544 3.710 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)c2cccc(C#N)c2)C1 ZINC000610351859 930090152 /nfs/dbraw/zinc/09/01/52/930090152.db2.gz KSVWOBNROKTQFS-IAGOWNOFSA-N 1 0 356.514 3.819 20 30 FHEDRO N#Cc1csc(C[NH2+][C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000177698602 930171214 /nfs/dbraw/zinc/17/12/14/930171214.db2.gz RJOGCJMZLXOUOU-FQEVSTJZSA-N 1 0 361.470 3.959 20 30 FHEDRO Fc1cccc(OC(F)(F)F)c1C[NH2+]CCOCC(F)(F)C(F)F ZINC000556409756 930188419 /nfs/dbraw/zinc/18/84/19/930188419.db2.gz LLBJBUSXZAPQAF-UHFFFAOYSA-N 1 0 367.236 3.731 20 30 FHEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000579458289 930247268 /nfs/dbraw/zinc/24/72/68/930247268.db2.gz GRDAFMXLRCHJPQ-AWEZNQCLSA-N 1 0 372.469 3.793 20 30 FHEDRO C=CCO[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001266577070 930258253 /nfs/dbraw/zinc/25/82/53/930258253.db2.gz VRRRIVGFVSABND-YPAWHYETSA-N 1 0 370.537 3.584 20 30 FHEDRO C[N@H+](CCC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CCCCC1 ZINC000548064639 930267677 /nfs/dbraw/zinc/26/76/77/930267677.db2.gz QVEQOYLPQRASMC-RTWAWAEBSA-N 1 0 353.510 3.939 20 30 FHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)C[C@@H]1[NH+]1CCCC1 ZINC000579468211 930322654 /nfs/dbraw/zinc/32/26/54/930322654.db2.gz XEFKFGSOWRIGQX-DLBZAZTESA-N 1 0 372.925 3.776 20 30 FHEDRO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC(CCC#N)CC2)cc1 ZINC000580187858 930341730 /nfs/dbraw/zinc/34/17/30/930341730.db2.gz FLGOFWKPUZUQDT-MRXNPFEDSA-N 1 0 371.481 3.595 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000610400186 930368188 /nfs/dbraw/zinc/36/81/88/930368188.db2.gz QKEGCJPOWRVYCR-HRAATJIYSA-N 1 0 364.493 3.784 20 30 FHEDRO N#Cc1ccc(-c2ccc(N(Cc3ccccc3)C3(C[NH3+])COC3)cc2)o1 ZINC001167374369 930434063 /nfs/dbraw/zinc/43/40/63/930434063.db2.gz ARDANDOMELJHKX-UHFFFAOYSA-N 1 0 359.429 3.553 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119011058 930530512 /nfs/dbraw/zinc/53/05/12/930530512.db2.gz KVQZSKNZJOCYEG-UHFFFAOYSA-N 1 0 356.514 3.599 20 30 FHEDRO Cc1csc(-c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2)n1 ZINC000328718416 930571205 /nfs/dbraw/zinc/57/12/05/930571205.db2.gz UZDVIKVSVQHOLE-DLBZAZTESA-N 1 0 356.495 3.880 20 30 FHEDRO Cc1ccc(Cc2ccccn2)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328726369 930650119 /nfs/dbraw/zinc/65/01/19/930650119.db2.gz ZOFKFRJJRWCQQU-CTNGQTDRSA-N 1 0 364.493 3.934 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000583429065 937435414 /nfs/dbraw/zinc/43/54/14/937435414.db2.gz BAJDHQQATPIQSG-HNNXBMFYSA-N 1 0 366.490 3.831 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160505466 930694918 /nfs/dbraw/zinc/69/49/18/930694918.db2.gz DUUKSDRDCXQFMI-IEBWSBKVSA-N 1 0 365.562 3.795 20 30 FHEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000537124259 930820120 /nfs/dbraw/zinc/82/01/20/930820120.db2.gz IBBLECXRDQBQMM-FQEVSTJZSA-N 1 0 371.431 3.830 20 30 FHEDRO N#Cc1ccccc1/C=C\C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000255216415 930883791 /nfs/dbraw/zinc/88/37/91/930883791.db2.gz LSUOEGPIJPIJQD-FPLPWBNLSA-N 1 0 365.502 3.661 20 30 FHEDRO COc1ccccc1/C=C\C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000255663252 930966264 /nfs/dbraw/zinc/96/62/64/930966264.db2.gz NHRJIDHCCWLFJD-XQRVVYSFSA-N 1 0 363.461 3.955 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579816903 931074428 /nfs/dbraw/zinc/07/44/28/931074428.db2.gz NNBWFSLGSYETRO-RBBKRZOGSA-N 1 0 374.488 3.509 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000580760514 931118199 /nfs/dbraw/zinc/11/81/99/931118199.db2.gz CUYLHZNKOYPDOG-KEIZBESESA-N 1 0 373.500 3.831 20 30 FHEDRO C[C@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000610461688 931149787 /nfs/dbraw/zinc/14/97/87/931149787.db2.gz CSXTYIRFOBNBKN-ROUUACIJSA-N 1 0 364.493 3.829 20 30 FHEDRO [NH2+]=C(Nc1ccc(OC(F)(F)F)cc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000261669680 931179559 /nfs/dbraw/zinc/17/95/59/931179559.db2.gz OZWQZVMUOOIADV-KFWWJZLASA-N 1 0 369.387 3.660 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000177856774 931327630 /nfs/dbraw/zinc/32/76/30/931327630.db2.gz UMZYYGHSMZDQAS-CYBMUJFWSA-N 1 0 352.413 3.832 20 30 FHEDRO CC(C)[C@H]1OCCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160720950 931446566 /nfs/dbraw/zinc/44/65/66/931446566.db2.gz PCGJYXNVUZHUSC-SWLSCSKDSA-N 1 0 359.392 3.763 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000177894191 931521356 /nfs/dbraw/zinc/52/13/56/931521356.db2.gz MJYLUYNNAFNOEK-UHFFFAOYSA-N 1 0 370.403 3.623 20 30 FHEDRO CCc1cnc(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)s1 ZINC000160744054 931526361 /nfs/dbraw/zinc/52/63/61/931526361.db2.gz CRPBRPRSWLZFIW-UHFFFAOYSA-N 1 0 358.389 3.573 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)cc1 ZINC000175979169 931563984 /nfs/dbraw/zinc/56/39/84/931563984.db2.gz LIFPAEHNGJYYQN-QAPCUYQASA-N 1 0 355.869 3.999 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)s1 ZINC000187376786 931586034 /nfs/dbraw/zinc/58/60/34/931586034.db2.gz XGOCVPWIJPJYAE-AWEZNQCLSA-N 1 0 365.380 3.534 20 30 FHEDRO CC(C)(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000156882247 931677940 /nfs/dbraw/zinc/67/79/40/931677940.db2.gz JHDZZTTVJJMACI-IBGZPJMESA-N 1 0 374.481 3.848 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCCOC(C)C)c1 ZINC000581221480 931696057 /nfs/dbraw/zinc/69/60/57/931696057.db2.gz QERJVODQCGTYNN-IBGZPJMESA-N 1 0 359.514 3.686 20 30 FHEDRO C[N@H+](Cc1ccccc1C#N)[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000156981887 931757585 /nfs/dbraw/zinc/75/75/85/931757585.db2.gz PBIWVOLTVKYTOV-QHCPKHFHSA-N 1 0 358.489 3.916 20 30 FHEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(F)c(F)cc1OC)C2 ZINC001143390765 931772317 /nfs/dbraw/zinc/77/23/17/931772317.db2.gz ZZPHUKWGZRWBRR-UXHICEINSA-N 1 0 367.436 3.547 20 30 FHEDRO CC(C)[N@H+](C)CC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000126410305 931807280 /nfs/dbraw/zinc/80/72/80/931807280.db2.gz WOVGQYVNIAHLID-UHFFFAOYSA-N 1 0 353.441 3.566 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000126416099 931812528 /nfs/dbraw/zinc/81/25/28/931812528.db2.gz NHSYYLKBICYNKL-IRXDYDNUSA-N 1 0 362.477 3.836 20 30 FHEDRO CN(c1ccccc1CN(CCC#N)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000093101205 931941788 /nfs/dbraw/zinc/94/17/88/931941788.db2.gz CJAFAFTUUKXNFM-UHFFFAOYSA-N 1 0 356.558 3.979 20 30 FHEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000610503720 932007445 /nfs/dbraw/zinc/00/74/45/932007445.db2.gz SPVOYVXJFYYNFM-NRFANRHFSA-N 1 0 362.477 3.536 20 30 FHEDRO CC[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000178066276 932270657 /nfs/dbraw/zinc/27/06/57/932270657.db2.gz KUCXNZYOLFPRQY-QFBILLFUSA-N 1 0 363.461 3.862 20 30 FHEDRO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132749 932362240 /nfs/dbraw/zinc/36/22/40/932362240.db2.gz HYGNTVPNRVOHAE-PKOBYXMFSA-N 1 0 369.490 3.658 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000510446269 932434185 /nfs/dbraw/zinc/43/41/85/932434185.db2.gz WBDVHLYGLAZMEL-QFBILLFUSA-N 1 0 366.465 3.657 20 30 FHEDRO N#Cc1cccc(-c2noc(CC3(c4ccccc4F)CC[NH2+]CC3)n2)c1 ZINC001211518301 932594007 /nfs/dbraw/zinc/59/40/07/932594007.db2.gz VSMAFQIQXNEWAW-UHFFFAOYSA-N 1 0 362.408 3.611 20 30 FHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)C1 ZINC000292928983 932629393 /nfs/dbraw/zinc/62/93/93/932629393.db2.gz YVBZGTPBKDCWSQ-IPYPFGDCSA-N 1 0 363.387 3.620 20 30 FHEDRO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000581828712 932704694 /nfs/dbraw/zinc/70/46/94/932704694.db2.gz NBAYOVDMIKHHJB-VQTJNVASSA-N 1 0 360.461 3.884 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000891544004 932730529 /nfs/dbraw/zinc/73/05/29/932730529.db2.gz WPIPKKRRVFBVCQ-INIZCTEOSA-N 1 0 374.535 3.660 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Cl)c1F ZINC000178174493 932760424 /nfs/dbraw/zinc/76/04/24/932760424.db2.gz SJYAAWNAJGVYMN-UHFFFAOYSA-N 1 0 359.832 3.555 20 30 FHEDRO CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548287742 932832570 /nfs/dbraw/zinc/83/25/70/932832570.db2.gz KLNZWFRKYQXKBF-SFHVURJKSA-N 1 0 353.853 3.558 20 30 FHEDRO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000328851443 932988471 /nfs/dbraw/zinc/98/84/71/932988471.db2.gz RZFBOFFDSNSCPD-AOIWGVFYSA-N 1 0 363.546 3.635 20 30 FHEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cs1 ZINC000891702537 933034470 /nfs/dbraw/zinc/03/44/70/933034470.db2.gz KOCXJFXBHLGGME-UHFFFAOYSA-N 1 0 360.870 3.519 20 30 FHEDRO COc1ccc([C@@H](C)[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000581924093 933040630 /nfs/dbraw/zinc/04/06/30/933040630.db2.gz YINWEINNBREWOA-IIBYNOLFSA-N 1 0 363.461 3.755 20 30 FHEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000135352338 933044345 /nfs/dbraw/zinc/04/43/45/933044345.db2.gz NUQYDBGHMDRLKZ-VQIMIIECSA-N 1 0 365.481 3.583 20 30 FHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)CSc1ccc(C#N)cc1)[NH+](C)C ZINC000510549470 933213754 /nfs/dbraw/zinc/21/37/54/933213754.db2.gz RKGMVIUCNGPRJY-HRAATJIYSA-N 1 0 367.518 3.766 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000430763235 933217256 /nfs/dbraw/zinc/21/72/56/933217256.db2.gz NLGNPAJDDOUZGB-NUJGCVRESA-N 1 0 357.523 3.780 20 30 FHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+](C)C ZINC000510552508 933217277 /nfs/dbraw/zinc/21/72/77/933217277.db2.gz VTUGMWONUFMKRE-UTKZUKDTSA-N 1 0 361.489 3.971 20 30 FHEDRO CC(C)[C@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000510596033 933256582 /nfs/dbraw/zinc/25/65/82/933256582.db2.gz IRLOEJPOVMFZSV-SFTDATJTSA-N 1 0 370.541 3.846 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000430836384 933297946 /nfs/dbraw/zinc/29/79/46/933297946.db2.gz IYTFZWIDNXEACW-MJGOQNOKSA-N 1 0 359.539 3.667 20 30 FHEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000430872686 933349369 /nfs/dbraw/zinc/34/93/69/933349369.db2.gz LEAWGLDQEAMOKZ-IBGZPJMESA-N 1 0 350.462 3.736 20 30 FHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC4(CCC4)C3)sc2C1 ZINC000468120920 933386841 /nfs/dbraw/zinc/38/68/41/933386841.db2.gz MXBNXJQCWBXTPV-AWEZNQCLSA-N 1 0 357.523 3.949 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000610605346 933513213 /nfs/dbraw/zinc/51/32/13/933513213.db2.gz YUMMBBXOWBGKLB-UNMCSNQZSA-N 1 0 368.452 3.859 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000610605345 933513321 /nfs/dbraw/zinc/51/33/21/933513321.db2.gz YUMMBBXOWBGKLB-RBBKRZOGSA-N 1 0 368.452 3.859 20 30 FHEDRO CCOc1cc(CN(CC)C[C@H](C)C#N)cc(Br)c1OC ZINC000091983426 933767265 /nfs/dbraw/zinc/76/72/65/933767265.db2.gz AVVHAYPSQOGWDW-GFCCVEGCSA-N 1 0 355.276 3.838 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C/C=C/c1cccc(F)c1 ZINC000176032946 933777052 /nfs/dbraw/zinc/77/70/52/933777052.db2.gz SREUGZYPJYNMSR-GQCTYLIASA-N 1 0 365.452 3.691 20 30 FHEDRO N#CC1CCC(CNC(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000891880929 933797163 /nfs/dbraw/zinc/79/71/63/933797163.db2.gz PMKVPBCAUBCPPK-SMRJSYMMSA-N 1 0 360.546 3.646 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC#N)cc1 ZINC000276891145 933880824 /nfs/dbraw/zinc/88/08/24/933880824.db2.gz HSBHACJTCLZROK-UZLBHIALSA-N 1 0 355.482 3.563 20 30 FHEDRO N#CCCCOc1cccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000091792372 933892452 /nfs/dbraw/zinc/89/24/52/933892452.db2.gz RHYCNLSVWIFVJK-UHFFFAOYSA-N 1 0 374.488 3.953 20 30 FHEDRO CCN(Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C[C@H](C)C#N ZINC000091982838 933931952 /nfs/dbraw/zinc/93/19/52/933931952.db2.gz PBIYTHLIUFFDAA-MRXNPFEDSA-N 1 0 351.450 3.929 20 30 FHEDRO N#CCCC[C@@H](NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000891919677 934037427 /nfs/dbraw/zinc/03/74/27/934037427.db2.gz ZTCUURBHGWIBTQ-NHCUHLMSSA-N 1 0 364.493 3.681 20 30 FHEDRO N#CCCC[C@H](NC(=O)NCC[C@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000891919679 934037507 /nfs/dbraw/zinc/03/75/07/934037507.db2.gz ZTCUURBHGWIBTQ-SFTDATJTSA-N 1 0 364.493 3.681 20 30 FHEDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000610771311 934146344 /nfs/dbraw/zinc/14/63/44/934146344.db2.gz PTLPJFITGUAVCJ-NFBKMPQASA-N 1 0 364.489 3.946 20 30 FHEDRO C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180857752 934148908 /nfs/dbraw/zinc/14/89/08/934148908.db2.gz LQNIVGHGRYITOW-DOTOQJQBSA-N 1 0 371.529 3.889 20 30 FHEDRO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1O ZINC000176118003 934156667 /nfs/dbraw/zinc/15/66/67/934156667.db2.gz BHLZLXPBUFMCGL-AREMUKBSSA-N 1 0 373.518 3.889 20 30 FHEDRO N#Cc1cccc(OCCC[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000610786683 934186079 /nfs/dbraw/zinc/18/60/79/934186079.db2.gz UUFCUHWZJPEZNO-OKILXGFUSA-N 1 0 366.305 4.000 20 30 FHEDRO CCN(C(=O)NCC1(CC#N)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000431200851 934194106 /nfs/dbraw/zinc/19/41/06/934194106.db2.gz BFMDBUQHLRZTHE-PKOBYXMFSA-N 1 0 354.498 3.547 20 30 FHEDRO N#Cc1cccc(CC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535669409 934262979 /nfs/dbraw/zinc/26/29/79/934262979.db2.gz QFYNSOSZYGANNO-UHFFFAOYSA-N 1 0 373.500 3.615 20 30 FHEDRO C=C(C)COCC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180946381 934422525 /nfs/dbraw/zinc/42/25/25/934422525.db2.gz OWVIBCCWDCKTRF-NRFANRHFSA-N 1 0 373.518 3.670 20 30 FHEDRO N#CCN1CCC([NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000610812929 934485024 /nfs/dbraw/zinc/48/50/24/934485024.db2.gz PPCFXJBIZYDGLO-NRFANRHFSA-N 1 0 355.432 3.826 20 30 FHEDRO N#CCN1CCC([NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000610812925 934485284 /nfs/dbraw/zinc/48/52/84/934485284.db2.gz PNDHRRLSUCAUNU-KRWDZBQOSA-N 1 0 352.507 3.765 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000610829684 934501986 /nfs/dbraw/zinc/50/19/86/934501986.db2.gz DVPXXUSJGDJGCL-UONOGXRCSA-N 1 0 352.394 3.534 20 30 FHEDRO C[N@H+](CCOC(C)(C)C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000610859897 934534245 /nfs/dbraw/zinc/53/42/45/934534245.db2.gz SZSCTVCMLVCBRE-UHFFFAOYSA-N 1 0 363.527 3.574 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000610877724 934546506 /nfs/dbraw/zinc/54/65/06/934546506.db2.gz VQQSHOZXSDTBPA-QGZVFWFLSA-N 1 0 368.868 3.950 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000176203280 934604965 /nfs/dbraw/zinc/60/49/65/934604965.db2.gz GALUNYKBUYRURF-IBGZPJMESA-N 1 0 374.893 3.726 20 30 FHEDRO CC(C)(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000176216286 934632007 /nfs/dbraw/zinc/63/20/07/934632007.db2.gz FITSBZQQLWAAPS-IBGZPJMESA-N 1 0 374.481 3.848 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000610933067 934633960 /nfs/dbraw/zinc/63/39/60/934633960.db2.gz XWHPHWFMZDTGJJ-LAUBAEHRSA-N 1 0 359.473 3.542 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000181309024 934645615 /nfs/dbraw/zinc/64/56/15/934645615.db2.gz ARNACKCGSAMEIV-CQSZACIVSA-N 1 0 369.431 3.586 20 30 FHEDRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000135448807 934683614 /nfs/dbraw/zinc/68/36/14/934683614.db2.gz QIXSGSDHTLBQDU-CYBMUJFWSA-N 1 0 363.552 3.655 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@](C)(Cc2ccccc2)C2CC2)CC1 ZINC000458316093 934685573 /nfs/dbraw/zinc/68/55/73/934685573.db2.gz HEGVFRIMFVDDQK-JOCHJYFZSA-N 1 0 355.526 3.738 20 30 FHEDRO CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000610989194 934720971 /nfs/dbraw/zinc/72/09/71/934720971.db2.gz XWGGKORRGMBJKR-PZJWPPBQSA-N 1 0 350.462 3.575 20 30 FHEDRO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000610989195 934721099 /nfs/dbraw/zinc/72/10/99/934721099.db2.gz XWGGKORRGMBJKR-TZIWHRDSSA-N 1 0 350.462 3.575 20 30 FHEDRO COc1cc(C[N@@H+]2CCCOC[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000610990675 934721227 /nfs/dbraw/zinc/72/12/27/934721227.db2.gz HDGUPHFSTZYBHA-KRWDZBQOSA-N 1 0 366.461 3.757 20 30 FHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187698583 934809662 /nfs/dbraw/zinc/80/96/62/934809662.db2.gz UZOBWHPSAYHREF-OAQYLSRUSA-N 1 0 373.500 3.570 20 30 FHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000431283564 934865369 /nfs/dbraw/zinc/86/53/69/934865369.db2.gz QIFNJTSAXHZHEZ-ICSRJNTNSA-N 1 0 356.514 3.699 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\C2CCC(O)(c3cccnc3)CC2)c(O)c1 ZINC000588488862 934918553 /nfs/dbraw/zinc/91/85/53/934918553.db2.gz CWIBWVYKWGCHIV-IWIPYMOSSA-N 1 0 367.493 3.883 20 30 FHEDRO COc1cccc(NC(=[NH2+])NCc2ccc(COCC(F)(F)F)cc2)c1 ZINC000104159021 935003612 /nfs/dbraw/zinc/00/36/12/935003612.db2.gz XZJWVLFOJHCACT-UHFFFAOYSA-N 1 0 367.371 3.701 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](OC)c2ccccc2)c1 ZINC000104161368 935004282 /nfs/dbraw/zinc/00/42/82/935004282.db2.gz JRGGZLGPECOPQW-IBGZPJMESA-N 1 0 357.454 3.598 20 30 FHEDRO N#CC[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000375654783 935030402 /nfs/dbraw/zinc/03/04/02/935030402.db2.gz KHQNROABHBAZOG-RBBKRZOGSA-N 1 0 361.489 3.712 20 30 FHEDRO N#CC[C@H](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000375655357 935036331 /nfs/dbraw/zinc/03/63/31/935036331.db2.gz MBHBNGDETNXXMA-HXUWFJFHSA-N 1 0 362.477 3.502 20 30 FHEDRO N#Cc1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1Cl ZINC000548627021 935052639 /nfs/dbraw/zinc/05/26/39/935052639.db2.gz OMBPINRBHSJPCJ-IBGZPJMESA-N 1 0 353.853 3.779 20 30 FHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC001167516537 935103243 /nfs/dbraw/zinc/10/32/43/935103243.db2.gz GCRTVUUJSZWQIK-NHCUHLMSSA-N 1 0 352.478 3.560 20 30 FHEDRO CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000582074908 935221971 /nfs/dbraw/zinc/22/19/71/935221971.db2.gz ZERWPTAFUVPJJR-HNNXBMFYSA-N 1 0 353.491 3.589 20 30 FHEDRO COc1ccc(C[NH2+][C@@H]2COc3c(C)cccc3C2)cc1OCCCC#N ZINC000582092392 935242458 /nfs/dbraw/zinc/24/24/58/935242458.db2.gz PKDZBAKTFWBJPG-IBGZPJMESA-N 1 0 366.461 3.780 20 30 FHEDRO N#Cc1cscc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000551362889 935267740 /nfs/dbraw/zinc/26/77/40/935267740.db2.gz IWIGUBQLBTVIEE-NRFANRHFSA-N 1 0 365.502 3.748 20 30 FHEDRO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1F ZINC000551393465 935268916 /nfs/dbraw/zinc/26/89/16/935268916.db2.gz ICXFLMBJAPDGNX-YLJYHZDGSA-N 1 0 367.468 3.639 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467101579 935275373 /nfs/dbraw/zinc/27/53/73/935275373.db2.gz PTCRSFYMYNRANQ-UHFFFAOYSA-N 1 0 365.521 3.731 20 30 FHEDRO C=CC[C@H](C(=O)N1CCN(Cc2ccccc2OC)CC1)c1ccccc1 ZINC000427098065 945089675 /nfs/dbraw/zinc/08/96/75/945089675.db2.gz ZLNNAHQCVDLGOV-NRFANRHFSA-N 1 0 364.489 3.699 20 30 FHEDRO C=CC[C@H](C)[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000511078365 935302804 /nfs/dbraw/zinc/30/28/04/935302804.db2.gz AACWEZVDQPHNSL-OOHWJJMZSA-N 1 0 350.890 3.700 20 30 FHEDRO N#CC1CCC(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000582117973 935303362 /nfs/dbraw/zinc/30/33/62/935303362.db2.gz QWFVUZKLZZWTKJ-SSDMNJCBSA-N 1 0 357.281 3.653 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(O)c1OC ZINC000892202346 935327276 /nfs/dbraw/zinc/32/72/76/935327276.db2.gz QOKWWLQBPANNRF-ROUUACIJSA-N 1 0 352.434 3.681 20 30 FHEDRO N#Cc1cccc(OCC[NH2+][C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000551718222 935332539 /nfs/dbraw/zinc/33/25/39/935332539.db2.gz UBGVDXHRVGMDQB-SFHVURJKSA-N 1 0 372.266 3.835 20 30 FHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000108532331 935358620 /nfs/dbraw/zinc/35/86/20/935358620.db2.gz MGANNMFOTYORKK-JKSUJKDBSA-N 1 0 360.527 3.792 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3coc4ccccc34)CC2)cc1 ZINC000551926198 935374506 /nfs/dbraw/zinc/37/45/06/935374506.db2.gz SPWXODQIBLLREI-UHFFFAOYSA-N 1 0 373.456 3.581 20 30 FHEDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000118416908 935423850 /nfs/dbraw/zinc/42/38/50/935423850.db2.gz QFMQEECWXNPRPK-OLZOCXBDSA-N 1 0 363.552 3.653 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nccc2ccccc21 ZINC000582270924 935471742 /nfs/dbraw/zinc/47/17/42/935471742.db2.gz ANMMRRCYMDRNBN-KKSFZXQISA-N 1 0 370.456 3.953 20 30 FHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000263896919 935490483 /nfs/dbraw/zinc/49/04/83/935490483.db2.gz IBSKLCYQRFXKJI-ZHACJKMWSA-N 1 0 360.461 3.716 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000660514635 945107914 /nfs/dbraw/zinc/10/79/14/945107914.db2.gz NXSJIJYXRNLSBS-ROUUACIJSA-N 1 0 361.555 3.958 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000023387264 935581240 /nfs/dbraw/zinc/58/12/40/935581240.db2.gz AYLGKMWSJSDDOD-NRFANRHFSA-N 1 0 358.441 3.677 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478408655 935622212 /nfs/dbraw/zinc/62/22/12/935622212.db2.gz VMNJEBAHMPYSQX-UHFFFAOYSA-N 1 0 356.514 3.600 20 30 FHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2(C#N)CCSCC2)c1 ZINC000934447056 935649071 /nfs/dbraw/zinc/64/90/71/935649071.db2.gz LEZNKSJSYSZLIW-UHFFFAOYSA-N 1 0 373.566 3.962 20 30 FHEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000511124706 935700618 /nfs/dbraw/zinc/70/06/18/935700618.db2.gz UFGQPNHXNGZHQY-NVXWUHKLSA-N 1 0 352.400 3.672 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000178579152 935725816 /nfs/dbraw/zinc/72/58/16/935725816.db2.gz YDWZYAUFSSPHQK-GOSISDBHSA-N 1 0 354.498 3.987 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000127850840 935825921 /nfs/dbraw/zinc/82/59/21/935825921.db2.gz SFVVZMYUJCCRSK-UHFFFAOYSA-N 1 0 364.493 3.742 20 30 FHEDRO N#Cc1cccc(OCCN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127939323 935851130 /nfs/dbraw/zinc/85/11/30/935851130.db2.gz NLPGXTIHGFBEAX-LJQANCHMSA-N 1 0 374.387 3.612 20 30 FHEDRO CC(C)[C@H](C(=O)NCc1cc(F)cc2c1OCOC2)[NH+]1CCCCC1 ZINC000329083900 935861238 /nfs/dbraw/zinc/86/12/38/935861238.db2.gz FKSDNMYEEOKCBC-QGZVFWFLSA-N 1 0 350.434 3.659 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000375723191 935892613 /nfs/dbraw/zinc/89/26/13/935892613.db2.gz DEJYYBURASMWEP-QUCCMNQESA-N 1 0 350.466 3.694 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(CC#N)CC1 ZINC000611674012 935899304 /nfs/dbraw/zinc/89/93/04/935899304.db2.gz RQNXXGVISCCAME-GOSISDBHSA-N 1 0 369.509 3.706 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277780905 935929478 /nfs/dbraw/zinc/92/94/78/935929478.db2.gz UEYVLDABHFUBON-HNNXBMFYSA-N 1 0 372.538 3.934 20 30 FHEDRO COc1ccccc1C1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000480020867 935942011 /nfs/dbraw/zinc/94/20/11/935942011.db2.gz HBHHRQSIWVEFAP-UHFFFAOYSA-N 1 0 372.472 3.789 20 30 FHEDRO CCN(CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1C ZINC000480050477 935948871 /nfs/dbraw/zinc/94/88/71/935948871.db2.gz JNRIKTBLBDHWDS-UHFFFAOYSA-N 1 0 373.504 3.883 20 30 FHEDRO CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000582733702 936026905 /nfs/dbraw/zinc/02/69/05/936026905.db2.gz AFGMUIMILGOAJA-XMSQKQJNSA-N 1 0 361.489 3.990 20 30 FHEDRO C=CCOc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657612681 936098582 /nfs/dbraw/zinc/09/85/82/936098582.db2.gz OUXYHGZWFMGZRM-UHFFFAOYSA-N 1 0 351.494 3.648 20 30 FHEDRO N#Cc1ccc(N2CCC(N(CCC[NH3+])c3cccc(F)c3)CC2)cc1 ZINC000582778156 936105168 /nfs/dbraw/zinc/10/51/68/936105168.db2.gz JHJTYLZGDPKKSZ-UHFFFAOYSA-N 1 0 352.457 3.522 20 30 FHEDRO C[C@@H]1[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000582805939 936141832 /nfs/dbraw/zinc/14/18/32/936141832.db2.gz UYBAWTNYIVRORO-UTKZUKDTSA-N 1 0 359.473 3.635 20 30 FHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438848392 945152445 /nfs/dbraw/zinc/15/24/45/945152445.db2.gz HRPAMCRGTSZXIO-UXHICEINSA-N 1 0 356.514 3.985 20 30 FHEDRO Cc1ccc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000161662211 936281472 /nfs/dbraw/zinc/28/14/72/936281472.db2.gz XPZKDNVGYOKTHS-UHFFFAOYSA-N 1 0 350.466 3.771 20 30 FHEDRO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)C[C@H]1C ZINC001104468666 938252633 /nfs/dbraw/zinc/25/26/33/938252633.db2.gz OKKIUQMNVKZXJB-SJLPKXTDSA-N 1 0 367.493 3.594 20 30 FHEDRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cnn1-c1ccccc1F ZINC000329165877 938276309 /nfs/dbraw/zinc/27/63/09/938276309.db2.gz HQOZSCGYRZZSQZ-HNNXBMFYSA-N 1 0 356.445 3.641 20 30 FHEDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000329180642 938281290 /nfs/dbraw/zinc/28/12/90/938281290.db2.gz OKDSYJBUKKNKKO-INIZCTEOSA-N 1 0 358.873 3.847 20 30 FHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000245644159 938309483 /nfs/dbraw/zinc/30/94/83/938309483.db2.gz LBLGOGPVVUFAMR-MJGOQNOKSA-N 1 0 365.481 3.682 20 30 FHEDRO C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245681878 938310269 /nfs/dbraw/zinc/31/02/69/938310269.db2.gz HMELYFURWIBMFO-LEWJYISDSA-N 1 0 361.574 3.550 20 30 FHEDRO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000262344611 938310560 /nfs/dbraw/zinc/31/05/60/938310560.db2.gz DDUBXHXLOOCNLS-NWDGAFQWSA-N 1 0 360.449 3.796 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@H](C)c2c(C)noc2C)cc1OCCCC#N ZINC000128618046 938311982 /nfs/dbraw/zinc/31/19/82/938311982.db2.gz KHCQBMKGBVXWFA-CQSZACIVSA-N 1 0 357.454 3.876 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000583606320 938316774 /nfs/dbraw/zinc/31/67/74/938316774.db2.gz ILICUQKPJDXZPL-AEFFLSMTSA-N 1 0 371.506 3.607 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1OC ZINC000246084769 938337319 /nfs/dbraw/zinc/33/73/19/938337319.db2.gz IENRPZOEVYBCOQ-PKOBYXMFSA-N 1 0 355.482 3.930 20 30 FHEDRO C[C@@H]1C[C@@H](N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000583675945 938353048 /nfs/dbraw/zinc/35/30/48/938353048.db2.gz NGPPHDPXRCEYFL-UZLBHIALSA-N 1 0 364.449 3.956 20 30 FHEDRO CCOc1ccc(O)c(C=Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000255577493 938364937 /nfs/dbraw/zinc/36/49/37/938364937.db2.gz LNSXLZREYBSTLQ-UHFFFAOYSA-N 1 0 353.466 3.602 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)CC#N)c1cccc(C(F)(F)F)c1 ZINC000458647446 938370176 /nfs/dbraw/zinc/37/01/76/938370176.db2.gz NYRBFVYTYTVMRA-HNNXBMFYSA-N 1 0 370.419 3.547 20 30 FHEDRO O=C(Nc1cnn(Cc2ccccc2)c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000329384707 938379522 /nfs/dbraw/zinc/37/95/22/938379522.db2.gz PCECUAIHBTZKGM-IBGZPJMESA-N 1 0 370.522 3.737 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246742974 938397059 /nfs/dbraw/zinc/39/70/59/938397059.db2.gz OGYXGVFQSNLESJ-OAGGEKHMSA-N 1 0 360.527 3.885 20 30 FHEDRO Cc1oc(NC(=O)CN2CCC[C@@H]2Cc2cccc(F)c2)c(C#N)c1C ZINC000128151139 938420119 /nfs/dbraw/zinc/42/01/19/938420119.db2.gz XEGVVPDAYRHVJX-QGZVFWFLSA-N 1 0 355.413 3.553 20 30 FHEDRO COc1ccccc1[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329490471 938444667 /nfs/dbraw/zinc/44/46/67/938444667.db2.gz HWNYRCCDXDSAKT-IKGGRYGDSA-N 1 0 359.514 3.913 20 30 FHEDRO CSCCNC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1ccc(C)cc1 ZINC000131277361 938460477 /nfs/dbraw/zinc/46/04/77/938460477.db2.gz WLMJDLYVAMSWHY-UHFFFAOYSA-O 1 0 373.567 3.791 20 30 FHEDRO C=C(C)[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000583921043 938487312 /nfs/dbraw/zinc/48/73/12/938487312.db2.gz GHWMZDCNRXULFA-DBVUQKKJSA-N 1 0 371.431 3.637 20 30 FHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472308400 938492278 /nfs/dbraw/zinc/49/22/78/938492278.db2.gz FKSZDPOVIZRBEQ-HXUWFJFHSA-N 1 0 367.493 3.542 20 30 FHEDRO CSc1ccc([C@@H](CNC(=O)NCC2CCC(C#N)CC2)[NH+](C)C)cc1 ZINC000458738639 938506219 /nfs/dbraw/zinc/50/62/19/938506219.db2.gz QLMKNGROVJWJIO-LADRWXRNSA-N 1 0 374.554 3.640 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ccccc3Cl)C1=O)CC2 ZINC000583964516 938507598 /nfs/dbraw/zinc/50/75/98/938507598.db2.gz OJUGZEHLQJOESW-QZTJIDSGSA-N 1 0 351.837 3.594 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2N(C)C)CC1 ZINC000151377286 938534918 /nfs/dbraw/zinc/53/49/18/938534918.db2.gz RKSKPPDOWZIZDC-UHFFFAOYSA-N 1 0 350.894 3.568 20 30 FHEDRO CC[NH+]=C(NCc1ccc(C(F)(F)F)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262367184 938556335 /nfs/dbraw/zinc/55/63/35/938556335.db2.gz DUMKLWSWCRJCIT-XHSDSOJGSA-N 1 0 369.431 3.574 20 30 FHEDRO C[C@@H]1C[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000158656056 938562282 /nfs/dbraw/zinc/56/22/82/938562282.db2.gz BKDPKBUBKZUIBN-XLIONFOSSA-N 1 0 362.477 3.785 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1C#N ZINC000584062519 938576884 /nfs/dbraw/zinc/57/68/84/938576884.db2.gz QNPBBSDVZOTOBO-UHFFFAOYSA-N 1 0 351.450 3.702 20 30 FHEDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000584086516 938592761 /nfs/dbraw/zinc/59/27/61/938592761.db2.gz PGDOSBOBABLCPE-QGZVFWFLSA-N 1 0 365.477 3.596 20 30 FHEDRO Cn1ccc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc1=O ZINC000052798059 938596461 /nfs/dbraw/zinc/59/64/61/938596461.db2.gz BFZOYZLOHZKDLQ-UHFFFAOYSA-N 1 0 361.420 3.598 20 30 FHEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278632670 938605130 /nfs/dbraw/zinc/60/51/30/938605130.db2.gz KUGJKOVTLGJXGY-MOPGFXCFSA-N 1 0 367.497 3.542 20 30 FHEDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278632679 938605178 /nfs/dbraw/zinc/60/51/78/938605178.db2.gz KUGJKOVTLGJXGY-RBUKOAKNSA-N 1 0 367.497 3.542 20 30 FHEDRO C=CC[N@@H+](CCCc1cnccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000584140069 938612968 /nfs/dbraw/zinc/61/29/68/938612968.db2.gz PGTAMHPEEFSAAF-GOSISDBHSA-N 1 0 362.481 3.548 20 30 FHEDRO Cc1cccc([C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)N2CCOCC2)c1 ZINC000584142753 938618390 /nfs/dbraw/zinc/61/83/90/938618390.db2.gz QQQYLJJZKSRMAC-GOTSBHOMSA-N 1 0 361.489 3.517 20 30 FHEDRO N#Cc1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000018060384 945194016 /nfs/dbraw/zinc/19/40/16/945194016.db2.gz POKRUOKOOMYRKM-UHFFFAOYSA-N 1 0 372.428 3.942 20 30 FHEDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278721919 938685763 /nfs/dbraw/zinc/68/57/63/938685763.db2.gz SUPBERIJWWZEJK-YLJYHZDGSA-N 1 0 367.497 3.544 20 30 FHEDRO Cc1c(Cl)cccc1OCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329765385 938698780 /nfs/dbraw/zinc/69/87/80/938698780.db2.gz WXZILVGORUGQSF-UHFFFAOYSA-N 1 0 366.889 3.629 20 30 FHEDRO Cc1cc(C)c(C#N)c(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)n1 ZINC000080982852 938712560 /nfs/dbraw/zinc/71/25/60/938712560.db2.gz VNKDEFKVHFYJHP-SFHVURJKSA-N 1 0 364.493 3.882 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000519206212 945204275 /nfs/dbraw/zinc/20/42/75/945204275.db2.gz QLQAGVUBTMNALV-NRFANRHFSA-N 1 0 370.541 3.846 20 30 FHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458799775 938943646 /nfs/dbraw/zinc/94/36/46/938943646.db2.gz KEWOQOPGRZRALN-AABGKKOBSA-N 1 0 354.498 3.690 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1c(C#N)nnc2ccccc21)C1CC1 ZINC000480528463 938968113 /nfs/dbraw/zinc/96/81/13/938968113.db2.gz KWANVXHFAMWPGD-NRFANRHFSA-N 1 0 357.461 3.824 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(N=Nc3nncc4ccccc43)CC2)cc1 ZINC000063357640 938971349 /nfs/dbraw/zinc/97/13/49/938971349.db2.gz WICYDWYRCCJUPB-UHFFFAOYSA-N 1 0 356.433 3.565 20 30 FHEDRO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1C ZINC000363673135 938993517 /nfs/dbraw/zinc/99/35/17/938993517.db2.gz KQIHAUPCRBVJHO-INIZCTEOSA-N 1 0 350.466 3.590 20 30 FHEDRO C[C@H](CCSc1ccccc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000431601216 938995021 /nfs/dbraw/zinc/99/50/21/938995021.db2.gz BSYVVQPDUKNVOQ-QGZVFWFLSA-N 1 0 352.507 3.646 20 30 FHEDRO C=CC1(CC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCCCC1 ZINC001125753825 938996520 /nfs/dbraw/zinc/99/65/20/938996520.db2.gz KURZEZHIUXCBGN-NRFANRHFSA-N 1 0 369.553 3.618 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000480613041 939000012 /nfs/dbraw/zinc/00/00/12/939000012.db2.gz PHHBGICXVPLTAT-UHFFFAOYSA-N 1 0 358.486 3.733 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000093321341 939015575 /nfs/dbraw/zinc/01/55/75/939015575.db2.gz HUEJIOSWGAUBNT-UHFFFAOYSA-N 1 0 356.510 3.912 20 30 FHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000188172230 939021434 /nfs/dbraw/zinc/02/14/34/939021434.db2.gz SQNLKNIJLKDMKF-SJLPKXTDSA-N 1 0 365.452 3.822 20 30 FHEDRO COc1ccc(C[N@@H+]2CCCN(c3ncc(Cl)c(C)c3C#N)CC2)cc1 ZINC000612070932 939029784 /nfs/dbraw/zinc/02/97/84/939029784.db2.gz AMMXIOADOOUGOZ-UHFFFAOYSA-N 1 0 370.884 3.636 20 30 FHEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1c(F)cccc1F ZINC000120833479 945222092 /nfs/dbraw/zinc/22/20/92/945222092.db2.gz LGQYIOCXFJTJJL-HNNXBMFYSA-N 1 0 371.431 3.530 20 30 FHEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000472357585 939048252 /nfs/dbraw/zinc/04/82/52/939048252.db2.gz BOYIYUXMEHKDDM-PZJWPPBQSA-N 1 0 361.489 3.886 20 30 FHEDRO CCOc1ccc(C(=O)/C=C\c2cnc3ccc(C)cn23)cc1[N+](=O)[O-] ZINC000255662133 939063005 /nfs/dbraw/zinc/06/30/05/939063005.db2.gz IFVGJPSVUUHRKW-SREVYHEPSA-N 1 0 351.362 3.846 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)c2ccccc2)CC1 ZINC000612114435 939079103 /nfs/dbraw/zinc/07/91/03/939079103.db2.gz FZEVWOAWDQQYIE-UNMCSNQZSA-N 1 0 368.525 3.795 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@](C)(C#N)C2)CC1 ZINC000612127887 939108189 /nfs/dbraw/zinc/10/81/89/939108189.db2.gz ARDPQDOLEOVZSS-UWJYYQICSA-N 1 0 354.498 3.547 20 30 FHEDRO CCOc1ccc(O)c(/C=N/C[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)c1 ZINC000194860570 945228193 /nfs/dbraw/zinc/22/81/93/945228193.db2.gz JDYJMNZDAHJMCE-ZFJBLLOBSA-N 1 0 372.465 3.530 20 30 FHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(F)c1C#N ZINC000188353807 939211058 /nfs/dbraw/zinc/21/10/58/939211058.db2.gz HABJSQQKEJOWAD-GOSISDBHSA-N 1 0 365.452 3.682 20 30 FHEDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000612194003 939220181 /nfs/dbraw/zinc/22/01/81/939220181.db2.gz CIBURODUYIMPFO-OAQYLSRUSA-N 1 0 372.472 3.614 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000507448978 945243345 /nfs/dbraw/zinc/24/33/45/945243345.db2.gz DVKZSLNSYVNADN-IYBDPMFKSA-N 1 0 371.500 3.602 20 30 FHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@]3(C#N)CC34CCCC4)C2)s1 ZINC000516777190 945246645 /nfs/dbraw/zinc/24/66/45/945246645.db2.gz PCMWAURTQDHLHI-UWJYYQICSA-N 1 0 371.550 3.811 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000660568762 945256646 /nfs/dbraw/zinc/25/66/46/945256646.db2.gz YBDINNQIZFMKBE-RTWAWAEBSA-N 1 0 355.526 3.549 20 30 FHEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000550287119 945258702 /nfs/dbraw/zinc/25/87/02/945258702.db2.gz CVUDCZIJGKDYPO-AWEZNQCLSA-N 1 0 350.397 3.742 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)CC1 ZINC000440162757 945272682 /nfs/dbraw/zinc/27/26/82/945272682.db2.gz SQIHLHXTBJNRSL-QHCPKHFHSA-N 1 0 367.537 3.717 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000188427456 939875104 /nfs/dbraw/zinc/87/51/04/939875104.db2.gz AEVMCIXMLUQTNT-UHFFFAOYSA-N 1 0 361.489 3.748 20 30 FHEDRO COc1cccc(Cl)c1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000188463526 939885694 /nfs/dbraw/zinc/88/56/94/939885694.db2.gz YKUAOBFCVNLOEC-UHFFFAOYSA-N 1 0 369.896 3.974 20 30 FHEDRO N#Cc1cccc(C=Cc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000375824205 939947782 /nfs/dbraw/zinc/94/77/82/939947782.db2.gz MPZKVSNQKBYEFR-MDZDMXLPSA-N 1 0 368.440 3.783 20 30 FHEDRO COCCOc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000179816843 939951695 /nfs/dbraw/zinc/95/16/95/939951695.db2.gz WHHXQUJZGYXQCA-UHFFFAOYSA-N 1 0 365.477 3.660 20 30 FHEDRO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@](C)(C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000612379491 940033652 /nfs/dbraw/zinc/03/36/52/940033652.db2.gz RAIWQPBLSTVFOK-KAGYGMCKSA-N 1 0 368.525 3.622 20 30 FHEDRO CC(C)Oc1ccc2[nH+]ccc(N3CCN(c4cnccc4C#N)CC3)c2c1 ZINC000569917590 940037743 /nfs/dbraw/zinc/03/77/43/940037743.db2.gz JVIMBOWFHARUIZ-UHFFFAOYSA-N 1 0 373.460 3.615 20 30 FHEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000179888590 940084003 /nfs/dbraw/zinc/08/40/03/940084003.db2.gz SARHKRPMESQPGS-UHFFFAOYSA-N 1 0 374.444 3.710 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000376003167 940171365 /nfs/dbraw/zinc/17/13/65/940171365.db2.gz JESBDZYTYDYTTR-KDOFPFPSSA-N 1 0 357.841 3.536 20 30 FHEDRO N#CCc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000570157467 940172285 /nfs/dbraw/zinc/17/22/85/940172285.db2.gz DGRXQHDZFAQWET-OAQYLSRUSA-N 1 0 368.525 3.550 20 30 FHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000612610234 940180767 /nfs/dbraw/zinc/18/07/67/940180767.db2.gz IXUGFUFVAJSVEC-MRXNPFEDSA-N 1 0 367.880 3.948 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000376046697 940236654 /nfs/dbraw/zinc/23/66/54/940236654.db2.gz RAPGWPHVPLDZNE-OAHLLOKOSA-N 1 0 355.413 3.555 20 30 FHEDRO C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(C#N)s1 ZINC000376061802 940257252 /nfs/dbraw/zinc/25/72/52/940257252.db2.gz LOMPMJIRBWITHR-NSHDSACASA-N 1 0 362.886 3.557 20 30 FHEDRO C#CCCC[NH+]1CCC2(CCN(C(=O)Nc3cc(F)ccc3F)C2)CC1 ZINC001279239509 940274321 /nfs/dbraw/zinc/27/43/21/940274321.db2.gz WHCCUUFMJLBIAE-UHFFFAOYSA-N 1 0 361.436 3.698 20 30 FHEDRO N#Cc1ccc([C@H](O)C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000177724948 940387220 /nfs/dbraw/zinc/38/72/20/940387220.db2.gz RXNZHSJNPQAXMP-QGZVFWFLSA-N 1 0 357.251 3.633 20 30 FHEDRO COc1cc(OC)cc(N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000376168140 940409091 /nfs/dbraw/zinc/40/90/91/940409091.db2.gz VJNQDJAIEDWBCW-INIZCTEOSA-N 1 0 365.477 3.895 20 30 FHEDRO CCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000180083574 940441952 /nfs/dbraw/zinc/44/19/52/940441952.db2.gz XQXAPBCXPGTBGI-HXUWFJFHSA-N 1 0 352.482 3.740 20 30 FHEDRO C[C@H]1CCC[C@](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)(N(C)C)C1 ZINC000180104110 940481934 /nfs/dbraw/zinc/48/19/34/940481934.db2.gz LUUVOCXJYKJPHO-JTSKRJEESA-N 1 0 365.525 3.559 20 30 FHEDRO N#Cc1csc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000580745894 940484606 /nfs/dbraw/zinc/48/46/06/940484606.db2.gz BRECGSMLEWWQBB-HKUYNNGSSA-N 1 0 352.507 3.501 20 30 FHEDRO CC(C)(C)c1ccc(C(C)(C)C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000582003421 940640777 /nfs/dbraw/zinc/64/07/77/940640777.db2.gz IZTBXXVQHACNQU-UHFFFAOYSA-N 1 0 361.493 3.966 20 30 FHEDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000151367896 945338326 /nfs/dbraw/zinc/33/83/26/945338326.db2.gz XJSRTHDOEXCVSG-HNNXBMFYSA-N 1 0 355.869 3.738 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000613446974 940713327 /nfs/dbraw/zinc/71/33/27/940713327.db2.gz QGKMUOUAYLJXQP-HNNXBMFYSA-N 1 0 366.452 3.621 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000582574919 940732464 /nfs/dbraw/zinc/73/24/64/940732464.db2.gz PURMBJWWNORBAI-ICSRJNTNSA-N 1 0 355.869 3.755 20 30 FHEDRO COc1cccc(CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180173558 940755591 /nfs/dbraw/zinc/75/55/91/940755591.db2.gz PJDJDBDJMDNZBK-UHFFFAOYSA-N 1 0 360.461 3.690 20 30 FHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000330085493 945350070 /nfs/dbraw/zinc/35/00/70/945350070.db2.gz RJHUIUJLVGDQOU-SJLPKXTDSA-N 1 0 352.862 3.588 20 30 FHEDRO COc1cc(OC)cc(OCCC[N@H+](C)Cc2ccc(CC#N)cc2)c1 ZINC000544145318 945353071 /nfs/dbraw/zinc/35/30/71/945353071.db2.gz HXHBQISXUHFBSP-UHFFFAOYSA-N 1 0 354.450 3.671 20 30 FHEDRO C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cn2)C[C@@H](C)O1 ZINC000330099721 945356008 /nfs/dbraw/zinc/35/60/08/945356008.db2.gz ZYYJNVAMPUEINT-MDZRGWNJSA-N 1 0 372.513 3.690 20 30 FHEDRO CN(C)Cc1cnc(CNc2cccc(OC(F)(F)F)c2C#N)s1 ZINC000414294141 940908171 /nfs/dbraw/zinc/90/81/71/940908171.db2.gz DGXYDVYPTSYUCM-UHFFFAOYSA-N 1 0 356.373 3.587 20 30 FHEDRO COc1ccccc1C1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000330104265 945359350 /nfs/dbraw/zinc/35/93/50/945359350.db2.gz HKDSIVLHPGJCMC-UHFFFAOYSA-N 1 0 371.525 3.637 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC000892603417 940919719 /nfs/dbraw/zinc/91/97/19/940919719.db2.gz LKWZQQIQXXPKNO-OAGGEKHMSA-N 1 0 354.372 3.558 20 30 FHEDRO CCOc1cc(C)ccc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180292483 940920344 /nfs/dbraw/zinc/92/03/44/940920344.db2.gz YJJWDVZWVZDPQQ-UHFFFAOYSA-N 1 0 360.461 3.956 20 30 FHEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(OC(F)(F)F)c1 ZINC000180286809 940925383 /nfs/dbraw/zinc/92/53/83/940925383.db2.gz LMWBODLJPUQBSY-GFCCVEGCSA-N 1 0 360.339 3.955 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000414304650 940931116 /nfs/dbraw/zinc/93/11/16/940931116.db2.gz PBPQSMDTYOGMOO-LPHOPBHVSA-N 1 0 358.507 3.896 20 30 FHEDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1Cl ZINC000180302788 940932833 /nfs/dbraw/zinc/93/28/33/940932833.db2.gz LTUMWGARCIQLLZ-UHFFFAOYSA-N 1 0 366.852 3.911 20 30 FHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000376408601 940935387 /nfs/dbraw/zinc/93/53/87/940935387.db2.gz PSWQJMRPWURUEO-MSOLQXFVSA-N 1 0 364.493 3.644 20 30 FHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000376408602 940935476 /nfs/dbraw/zinc/93/54/76/940935476.db2.gz PSWQJMRPWURUEO-QZTJIDSGSA-N 1 0 364.493 3.644 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc(SCC#N)c2)C1 ZINC000176016369 940967641 /nfs/dbraw/zinc/96/76/41/940967641.db2.gz PIHVWAVCHOSBMU-CALCHBBNSA-N 1 0 359.539 3.790 20 30 FHEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)cc(OC(F)(F)F)c2)C1 ZINC001143472669 941032080 /nfs/dbraw/zinc/03/20/80/941032080.db2.gz SNQIJYXAPVFIQU-OAHLLOKOSA-N 1 0 372.387 3.770 20 30 FHEDRO C[NH+](C)CCCC1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000163743861 941096305 /nfs/dbraw/zinc/09/63/05/941096305.db2.gz BNAFYKWYPRKVAS-HXUWFJFHSA-N 1 0 356.514 3.795 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000472614783 941108244 /nfs/dbraw/zinc/10/82/44/941108244.db2.gz YACSPNSFLIMAJY-VQTJNVASSA-N 1 0 350.462 3.947 20 30 FHEDRO C#CCSCC[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000181095231 941109189 /nfs/dbraw/zinc/10/91/89/941109189.db2.gz UKWHZYFOVWBATE-MRXNPFEDSA-N 1 0 356.329 3.873 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181209520 941110877 /nfs/dbraw/zinc/11/08/77/941110877.db2.gz QLTYVKRFTPSUAB-WIYYLYMNSA-N 1 0 363.461 3.644 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659262684 941138027 /nfs/dbraw/zinc/13/80/27/941138027.db2.gz LBPGMWMVVSMBET-FQEVSTJZSA-N 1 0 364.489 3.902 20 30 FHEDRO Cc1cc(NC(=O)c2cccc(F)c2C#N)ccc1OCC[NH+]1CCCC1 ZINC000189704256 941262865 /nfs/dbraw/zinc/26/28/65/941262865.db2.gz YZVHCJWRULQRDB-UHFFFAOYSA-N 1 0 367.424 3.733 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000178560426 941276943 /nfs/dbraw/zinc/27/69/43/941276943.db2.gz QUGHSNQTCCPLHP-UHFFFAOYSA-N 1 0 368.506 3.962 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000659472573 941290962 /nfs/dbraw/zinc/29/09/62/941290962.db2.gz OLFOGOYWSDCOIN-BZUAXINKSA-N 1 0 373.394 3.793 20 30 FHEDRO C=CCOc1ccc(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000589552773 941302444 /nfs/dbraw/zinc/30/24/44/941302444.db2.gz FRVOLNOJSPWLEC-UHFFFAOYSA-N 1 0 352.478 3.975 20 30 FHEDRO CCN1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549112863 941347580 /nfs/dbraw/zinc/34/75/80/941347580.db2.gz MAHQABHOHMENHB-FPOVZHCZSA-N 1 0 358.407 3.881 20 30 FHEDRO N#Cc1ccc(N2CCC(N(CC[NH3+])c3ccc4ccccc4n3)CC2)cc1 ZINC000414494136 941368673 /nfs/dbraw/zinc/36/86/73/941368673.db2.gz UUFXXQGIKMIALY-UHFFFAOYSA-N 1 0 371.488 3.541 20 30 FHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000376652557 941372235 /nfs/dbraw/zinc/37/22/35/941372235.db2.gz JRSLMZDPZLUVDL-UYAOXDASSA-N 1 0 367.518 3.586 20 30 FHEDRO CC(C)[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1ccccc1 ZINC000589999742 941380290 /nfs/dbraw/zinc/38/02/90/941380290.db2.gz DIWRZJJKZDPQDP-NQIIRXRSSA-N 1 0 352.478 3.964 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376839935 941447630 /nfs/dbraw/zinc/44/76/30/941447630.db2.gz ASGPLEMZBMWYEK-CJNGLKHVSA-N 1 0 359.495 3.508 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415001933 941535693 /nfs/dbraw/zinc/53/56/93/941535693.db2.gz CUVWCHFKODREQF-GDBMZVCRSA-N 1 0 350.422 3.552 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415006692 941538193 /nfs/dbraw/zinc/53/81/93/941538193.db2.gz QPUASISJFQGVSK-SFHVURJKSA-N 1 0 366.465 3.947 20 30 FHEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415006115 941541840 /nfs/dbraw/zinc/54/18/40/941541840.db2.gz JYUJUZGMRDBOQJ-LSDHHAIUSA-N 1 0 350.422 3.565 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H](C)C[NH2+]1 ZINC000415006112 941541857 /nfs/dbraw/zinc/54/18/57/941541857.db2.gz JYUJUZGMRDBOQJ-HUUCEWRRSA-N 1 0 350.422 3.565 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415015886 941542821 /nfs/dbraw/zinc/54/28/21/941542821.db2.gz BMQDBCYCRXUBRL-LJQANCHMSA-N 1 0 350.422 3.518 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC000415029450 941550384 /nfs/dbraw/zinc/55/03/84/941550384.db2.gz BCNCJVZHCXCEMV-WBVHZDCISA-N 1 0 350.422 3.742 20 30 FHEDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415028564 941553002 /nfs/dbraw/zinc/55/30/02/941553002.db2.gz YWHWWUCYXBAYTR-CQSZACIVSA-N 1 0 352.438 3.636 20 30 FHEDRO C[C@@]1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCC[NH2+]C1 ZINC000415030440 941553248 /nfs/dbraw/zinc/55/32/48/941553248.db2.gz CKLFKNKWYYNCDV-OAQYLSRUSA-N 1 0 364.449 3.862 20 30 FHEDRO C[C@@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000472680303 941553962 /nfs/dbraw/zinc/55/39/62/941553962.db2.gz YPUXRMFACDQOAY-ZWKOTPCHSA-N 1 0 364.493 3.829 20 30 FHEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415043015 941562265 /nfs/dbraw/zinc/56/22/65/941562265.db2.gz RBOFHHZKHGLVNC-HOCLYGCPSA-N 1 0 350.422 3.552 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000415050001 941566572 /nfs/dbraw/zinc/56/65/72/941566572.db2.gz YMMQHUMCZMHMRF-IBGZPJMESA-N 1 0 350.422 3.552 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[NH2+]C1CC1 ZINC000415056880 941569832 /nfs/dbraw/zinc/56/98/32/941569832.db2.gz HLOFJGPPUFQSND-UHFFFAOYSA-N 1 0 364.449 3.923 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000415060259 941571759 /nfs/dbraw/zinc/57/17/59/941571759.db2.gz JYKAODJLDFRUQK-DOTOQJQBSA-N 1 0 364.449 3.860 20 30 FHEDRO CC(C)c1ccc(OCCNC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000549172792 941584344 /nfs/dbraw/zinc/58/43/44/941584344.db2.gz JJLPRRSEUIPUBE-KRWDZBQOSA-N 1 0 365.477 3.527 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415071335 941585772 /nfs/dbraw/zinc/58/57/72/941585772.db2.gz ZIKHTYAHZKPSDE-GOSISDBHSA-N 1 0 350.422 3.518 20 30 FHEDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000415126578 941615435 /nfs/dbraw/zinc/61/54/35/941615435.db2.gz RDDCIDGRYAONAI-MRXNPFEDSA-N 1 0 366.465 3.565 20 30 FHEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415142874 941629122 /nfs/dbraw/zinc/62/91/22/941629122.db2.gz AAXBYYVSUNDSNW-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H](C[NH3+])C3CCCC3)c2)cc1 ZINC000415143733 941631776 /nfs/dbraw/zinc/63/17/76/941631776.db2.gz BNQGACFCYXDMPQ-HXUWFJFHSA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415151794 941635089 /nfs/dbraw/zinc/63/50/89/941635089.db2.gz TUFWHNMEUFNGRE-GDBMZVCRSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000415153240 941635702 /nfs/dbraw/zinc/63/57/02/941635702.db2.gz WUBGUMUMCQXIKM-HNNXBMFYSA-N 1 0 364.449 3.942 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000415152932 941636076 /nfs/dbraw/zinc/63/60/76/941636076.db2.gz CJIKLMNIVOFAAQ-NRFANRHFSA-N 1 0 362.433 3.568 20 30 FHEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415153917 941636956 /nfs/dbraw/zinc/63/69/56/941636956.db2.gz DFQWXEANTUCFDX-HOCLYGCPSA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000415150970 941639360 /nfs/dbraw/zinc/63/93/60/941639360.db2.gz RQWJASLJQZKSFW-IRXDYDNUSA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000415168948 941646220 /nfs/dbraw/zinc/64/62/20/941646220.db2.gz VGZMOITZJJDORY-HNNXBMFYSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[C@H]1[NH3+] ZINC000415169006 941646240 /nfs/dbraw/zinc/64/62/40/941646240.db2.gz VPJSBFIGGHYOOB-AUUYWEPGSA-N 1 0 350.422 3.552 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000472743110 941661271 /nfs/dbraw/zinc/66/12/71/941661271.db2.gz APHYIBAJHLARMG-CQSZACIVSA-N 1 0 359.297 3.971 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000415237523 941692400 /nfs/dbraw/zinc/69/24/00/941692400.db2.gz IWEJBLWORQFLHB-HUUCEWRRSA-N 1 0 368.412 3.881 20 30 FHEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415238438 941693208 /nfs/dbraw/zinc/69/32/08/941693208.db2.gz LNKYIYKAWPFXQE-DYVFJYSZSA-N 1 0 368.412 3.609 20 30 FHEDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415241226 941695996 /nfs/dbraw/zinc/69/59/96/941695996.db2.gz RPCRYBCDERGRFE-CYBMUJFWSA-N 1 0 356.401 3.609 20 30 FHEDRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415244616 941697932 /nfs/dbraw/zinc/69/79/32/941697932.db2.gz YDIXXKXQISWEGB-ZDUSSCGKSA-N 1 0 356.401 3.739 20 30 FHEDRO C[NH+](C)C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000549239504 941706043 /nfs/dbraw/zinc/70/60/43/941706043.db2.gz DUIVZLHFZGSDIV-GOSISDBHSA-N 1 0 373.909 3.723 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@H](C[C@H](C)O)c2ccccc2)cc1Cl ZINC000122399497 941714112 /nfs/dbraw/zinc/71/41/12/941714112.db2.gz VOISTQACJHPOPB-ZFWWWQNUSA-N 1 0 361.873 3.630 20 30 FHEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549249585 941745063 /nfs/dbraw/zinc/74/50/63/941745063.db2.gz GBPXZDADIFQIMY-QGZVFWFLSA-N 1 0 369.488 3.725 20 30 FHEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000377466342 941748545 /nfs/dbraw/zinc/74/85/45/941748545.db2.gz XVYQPDVNYMTEKJ-ZAWLATJESA-N 1 0 362.539 3.619 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNc1ncc(C(=O)N(C)C)cc1Cl)C(C)C ZINC000614476634 941758483 /nfs/dbraw/zinc/75/84/83/941758483.db2.gz DXHCUQDMCYJKLE-QGZVFWFLSA-N 1 0 364.921 3.547 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNc1ncc(C(=O)N(C)C)cc1Cl)C(C)C ZINC000614476631 941758513 /nfs/dbraw/zinc/75/85/13/941758513.db2.gz DXHCUQDMCYJKLE-KRWDZBQOSA-N 1 0 364.921 3.547 20 30 FHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(Cl)cc(C)cc32)C[C@@H]1[NH+](C)C ZINC000549262650 941786802 /nfs/dbraw/zinc/78/68/02/941786802.db2.gz YSKMTWJITSFBQU-JKSUJKDBSA-N 1 0 360.914 3.550 20 30 FHEDRO C=CCc1cc(C[N@@H+]2C[C@H](C(=O)NCCCC)CC[C@@H]2C)cc(OC)c1O ZINC000511524605 941794245 /nfs/dbraw/zinc/79/42/45/941794245.db2.gz SCUNXLVUNZSFPX-QFBILLFUSA-N 1 0 374.525 3.646 20 30 FHEDRO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000472797771 941810259 /nfs/dbraw/zinc/81/02/59/941810259.db2.gz ZDMQIXTUVAYXKY-UXHICEINSA-N 1 0 357.498 3.629 20 30 FHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549272777 941813193 /nfs/dbraw/zinc/81/31/93/941813193.db2.gz MLBNXLZTJRECPJ-UYAOXDASSA-N 1 0 371.573 3.896 20 30 FHEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000047608605 941840201 /nfs/dbraw/zinc/84/02/01/941840201.db2.gz TYQQFTLFAXDUCO-HUUCEWRRSA-N 1 0 367.449 3.643 20 30 FHEDRO CCc1ccc([C@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)cc1 ZINC000513360845 941868278 /nfs/dbraw/zinc/86/82/78/941868278.db2.gz FTLXCQYLRUKZOA-QFIPXVFZSA-N 1 0 361.489 3.616 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@H]1C[NH3+] ZINC000415539761 941886433 /nfs/dbraw/zinc/88/64/33/941886433.db2.gz WKHSISWTCAWCKL-DOTOQJQBSA-N 1 0 364.449 3.799 20 30 FHEDRO CN1CC[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000377682934 941897157 /nfs/dbraw/zinc/89/71/57/941897157.db2.gz TUADZIXJOVOVDK-RTBURBONSA-N 1 0 361.917 3.775 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000513416905 941913592 /nfs/dbraw/zinc/91/35/92/941913592.db2.gz RLHSFXNKMDTGIG-KXSVDRQTSA-N 1 0 367.497 3.533 20 30 FHEDRO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000366243302 941943484 /nfs/dbraw/zinc/94/34/84/941943484.db2.gz DYBDKRONPPRHQE-FCHUYYIVSA-N 1 0 361.420 3.847 20 30 FHEDRO CC[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000513497347 941964195 /nfs/dbraw/zinc/96/41/95/941964195.db2.gz VWFGDCYAYKEMIU-QFIPXVFZSA-N 1 0 360.457 3.973 20 30 FHEDRO CC(C)[N@H+](C)CCCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513517690 941978024 /nfs/dbraw/zinc/97/80/24/941978024.db2.gz BWRCMCGYDCDXQJ-UHFFFAOYSA-N 1 0 365.477 3.597 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCc4nc[nH]c4C3)c2)c1 ZINC000377790566 941991921 /nfs/dbraw/zinc/99/19/21/941991921.db2.gz WWRRCKKDYNIBDS-IBGZPJMESA-N 1 0 358.445 3.507 20 30 FHEDRO COc1cccc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000430026926 941992359 /nfs/dbraw/zinc/99/23/59/941992359.db2.gz MXNPFFNPZHQVIL-MRXNPFEDSA-N 1 0 363.461 3.979 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433957327 942016003 /nfs/dbraw/zinc/01/60/03/942016003.db2.gz IQWMWGOLSIJTAX-NRFANRHFSA-N 1 0 368.525 3.743 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CCC([NH3+])CC2)cc1 ZINC000415802253 942059165 /nfs/dbraw/zinc/05/91/65/942059165.db2.gz HYYRXKDZPRFRMY-UHFFFAOYSA-N 1 0 352.463 3.664 20 30 FHEDRO C[C@H](CCC[NH3+])NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415802221 942059323 /nfs/dbraw/zinc/05/93/23/942059323.db2.gz HWLMQLHFFDDZGB-CQSZACIVSA-N 1 0 354.479 3.958 20 30 FHEDRO C[N@@H+](Cc1ccc(C#N)o1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377923645 942073240 /nfs/dbraw/zinc/07/32/40/942073240.db2.gz QSZQAYHCZLWUEF-UHFFFAOYSA-N 1 0 352.438 3.527 20 30 FHEDRO CCC[N@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000047726420 942074149 /nfs/dbraw/zinc/07/41/49/942074149.db2.gz DZGUOEFOHUXNKC-UHFFFAOYSA-N 1 0 353.441 3.568 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000501864566 942096035 /nfs/dbraw/zinc/09/60/35/942096035.db2.gz UQRGLLVRNHJEDO-JKSUJKDBSA-N 1 0 350.466 3.536 20 30 FHEDRO CO[C@@]1(C)CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000280350413 942164681 /nfs/dbraw/zinc/16/46/81/942164681.db2.gz SVEQMZSIHQWVSA-NRFANRHFSA-N 1 0 352.482 3.855 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000280704716 942236342 /nfs/dbraw/zinc/23/63/42/942236342.db2.gz CRSPMLVISBBOAG-HNAYVOBHSA-N 1 0 362.901 3.515 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000280737656 942242410 /nfs/dbraw/zinc/24/24/10/942242410.db2.gz WMKOHQQNAIZCNZ-YJBOKZPZSA-N 1 0 351.450 3.585 20 30 FHEDRO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC001104757720 942243799 /nfs/dbraw/zinc/24/37/99/942243799.db2.gz JETNNQWVOBBHMC-IAGOWNOFSA-N 1 0 367.493 3.594 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnc(C4CCC4)s3)CC2)cc1 ZINC000122839296 942251526 /nfs/dbraw/zinc/25/15/26/942251526.db2.gz KGYOIUVIPGKMJX-UHFFFAOYSA-N 1 0 366.534 3.990 20 30 FHEDRO CC[N@H+](CCNC(=O)c1cccc(COc2ccccc2C#N)c1)C(C)C ZINC000513705174 942273233 /nfs/dbraw/zinc/27/32/33/942273233.db2.gz IGGAZGZRJPNVKS-UHFFFAOYSA-N 1 0 365.477 3.597 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)cc1OCCCC#N ZINC000188037440 942317663 /nfs/dbraw/zinc/31/76/63/942317663.db2.gz JLKVTXOWSDNZBA-NRFANRHFSA-N 1 0 360.498 3.751 20 30 FHEDRO C=CCOc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000501120543 942319192 /nfs/dbraw/zinc/31/91/92/942319192.db2.gz MANBHGUNACIZLK-OAQYLSRUSA-N 1 0 368.521 3.866 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000419616403 942328345 /nfs/dbraw/zinc/32/83/45/942328345.db2.gz SMEIMVNTRFMDCW-HXUWFJFHSA-N 1 0 354.498 3.547 20 30 FHEDRO N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)c2)cc1 ZINC000108304025 942333149 /nfs/dbraw/zinc/33/31/49/942333149.db2.gz PRCMEFXGDIBNPO-LJQANCHMSA-N 1 0 361.445 3.565 20 30 FHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000501215672 942354909 /nfs/dbraw/zinc/35/49/09/942354909.db2.gz DWMFNLYNQFTFPC-UHFFFAOYSA-N 1 0 373.460 3.732 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000416113707 942357460 /nfs/dbraw/zinc/35/74/60/942357460.db2.gz XLFVBKVVCFRMEX-HSZRJFAPSA-N 1 0 373.500 3.964 20 30 FHEDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197737 942377590 /nfs/dbraw/zinc/37/75/90/942377590.db2.gz CWHIMIQWQDTGFA-DKICVRJWSA-N 1 0 371.916 3.679 20 30 FHEDRO C=CCC1(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CCOCC1 ZINC000424846938 942401253 /nfs/dbraw/zinc/40/12/53/942401253.db2.gz JXHMBRDJRXNFGQ-NRFANRHFSA-N 1 0 372.553 3.977 20 30 FHEDRO Clc1cccc(C#CC[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1 ZINC000549404979 942441827 /nfs/dbraw/zinc/44/18/27/942441827.db2.gz MBUBXRXDKNOQIQ-UHFFFAOYSA-N 1 0 362.864 3.937 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000513712856 942457166 /nfs/dbraw/zinc/45/71/66/942457166.db2.gz GRWBTNSPRJVXOK-MRXNPFEDSA-N 1 0 363.461 3.649 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)cc1F ZINC000421340140 942494193 /nfs/dbraw/zinc/49/41/93/942494193.db2.gz IATMCOBGIMHEPS-UHFFFAOYSA-N 1 0 354.425 3.683 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502528560 942503538 /nfs/dbraw/zinc/50/35/38/942503538.db2.gz KKIUUGQMAXWJMZ-UHFFFAOYSA-N 1 0 356.429 3.548 20 30 FHEDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000421359653 942511079 /nfs/dbraw/zinc/51/10/79/942511079.db2.gz GOFUBUPJLSBVHW-IEBWSBKVSA-N 1 0 350.462 3.588 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000502552221 942518994 /nfs/dbraw/zinc/51/89/94/942518994.db2.gz BFVMEIAXRVVGPQ-IFMALSPDSA-N 1 0 367.489 3.698 20 30 FHEDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000421367950 942520140 /nfs/dbraw/zinc/52/01/40/942520140.db2.gz XDKJWBJWUAGZIM-LAUBAEHRSA-N 1 0 350.462 3.588 20 30 FHEDRO N#Cc1ccc(C[NH2+]CCc2cnc(SC3CCCC3)nc2)cc1F ZINC000421384364 942538070 /nfs/dbraw/zinc/53/80/70/942538070.db2.gz OTKKIUBCLNRDJN-UHFFFAOYSA-N 1 0 356.470 3.854 20 30 FHEDRO CCCOc1c(OC)cc(CC[NH2+]Cc2ccc(C#N)c(F)c2)cc1OC ZINC000421387815 942539783 /nfs/dbraw/zinc/53/97/83/942539783.db2.gz UMPQHAMDYODANT-UHFFFAOYSA-N 1 0 372.440 3.836 20 30 FHEDRO N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000502568513 942547623 /nfs/dbraw/zinc/54/76/23/942547623.db2.gz INLZEYKVYGOUBW-GOSISDBHSA-N 1 0 369.440 3.573 20 30 FHEDRO N#Cc1ccc(OCC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 ZINC000502598287 942570561 /nfs/dbraw/zinc/57/05/61/942570561.db2.gz ZEIZFUXYPUUYHS-HXUWFJFHSA-N 1 0 356.853 3.582 20 30 FHEDRO CC1(C(=O)NCCc2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000366966298 942600047 /nfs/dbraw/zinc/60/00/47/942600047.db2.gz MUCSJHQWRDOWHO-UHFFFAOYSA-N 1 0 361.489 3.519 20 30 FHEDRO CC1(C)CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H]1C#N ZINC000434446993 942671136 /nfs/dbraw/zinc/67/11/36/942671136.db2.gz SGUXCUAXWBBVDZ-IEBWSBKVSA-N 1 0 357.473 3.578 20 30 FHEDRO C=C(C)COCCNC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000514014250 942671243 /nfs/dbraw/zinc/67/12/43/942671243.db2.gz WPPUVAZWMBGXHM-UHFFFAOYSA-N 1 0 373.541 3.571 20 30 FHEDRO CC[N@H+](CCC(=O)OC)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000511544459 942671847 /nfs/dbraw/zinc/67/18/47/942671847.db2.gz ZQOSZQCASCHXAC-UHFFFAOYSA-N 1 0 352.434 3.522 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000414535130 942684806 /nfs/dbraw/zinc/68/48/06/942684806.db2.gz KVRSPOVSAPLTMR-FXAWDEMLSA-N 1 0 357.519 3.971 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416337503 942685945 /nfs/dbraw/zinc/68/59/45/942685945.db2.gz ABBLLNYEALFFQL-QFIPXVFZSA-N 1 0 359.473 3.500 20 30 FHEDRO C=CCCO[C@@H](C)C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000514059475 942702518 /nfs/dbraw/zinc/70/25/18/942702518.db2.gz PHEXQCUBGLMTHB-IBGZPJMESA-N 1 0 358.526 3.776 20 30 FHEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000421707704 942761413 /nfs/dbraw/zinc/76/14/13/942761413.db2.gz YEQZIYIYSCEJHG-MRXNPFEDSA-N 1 0 367.424 3.656 20 30 FHEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000421707703 942761427 /nfs/dbraw/zinc/76/14/27/942761427.db2.gz YEQZIYIYSCEJHG-INIZCTEOSA-N 1 0 367.424 3.656 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000421715249 942767281 /nfs/dbraw/zinc/76/72/81/942767281.db2.gz XOWCVXYLOXKIII-IBGZPJMESA-N 1 0 363.461 3.825 20 30 FHEDRO C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000182639791 942769036 /nfs/dbraw/zinc/76/90/36/942769036.db2.gz UTPUDRPBYSWWRR-KRWDZBQOSA-N 1 0 350.466 3.514 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]Cc2cccc(OCC(F)F)c2)O1 ZINC000378448798 942779454 /nfs/dbraw/zinc/77/94/54/942779454.db2.gz DQFWBNDCYMAPKD-TVFCKZIOSA-N 1 0 350.409 3.660 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@H](c2ccccc2)N2CCCC2)O1 ZINC000378457441 942790834 /nfs/dbraw/zinc/79/08/34/942790834.db2.gz VPNJOUIUVFQTGL-ZGJYDULXSA-N 1 0 353.510 3.653 20 30 FHEDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000434615169 942802488 /nfs/dbraw/zinc/80/24/88/942802488.db2.gz CMPPNIBNIGUAHR-FPOVZHCZSA-N 1 0 356.441 3.766 20 30 FHEDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000434615168 942802737 /nfs/dbraw/zinc/80/27/37/942802737.db2.gz CMPPNIBNIGUAHR-CTNGQTDRSA-N 1 0 356.441 3.766 20 30 FHEDRO CCOC(=O)CC1([NH2+]Cc2cc(C#N)ccc2Br)CCCC1 ZINC000434617360 942804495 /nfs/dbraw/zinc/80/44/95/942804495.db2.gz UETBPNRFPQBTQW-UHFFFAOYSA-N 1 0 365.271 3.676 20 30 FHEDRO CCCCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001269832191 942840695 /nfs/dbraw/zinc/84/06/95/942840695.db2.gz IPXHQPIWXBRJLL-VQTJNVASSA-N 1 0 360.546 3.973 20 30 FHEDRO CCCCCCCCCCC(=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001269832492 942841654 /nfs/dbraw/zinc/84/16/54/942841654.db2.gz MECHTDYFINZFBP-VQTJNVASSA-N 1 0 351.579 3.612 20 30 FHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000363878637 942927789 /nfs/dbraw/zinc/92/77/89/942927789.db2.gz KHFUYMFJDMFHCW-MSOLQXFVSA-N 1 0 371.456 3.772 20 30 FHEDRO C=CCC[C@H](O)C[NH+]1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000363878644 942928084 /nfs/dbraw/zinc/92/80/84/942928084.db2.gz KHFUYMFJDMFHCW-ZWKOTPCHSA-N 1 0 371.456 3.772 20 30 FHEDRO CCCC[C@H](ON=C(C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000273458328 942962315 /nfs/dbraw/zinc/96/23/15/942962315.db2.gz MIJVWFGMESPQKR-PXNSSMCTSA-N 1 0 374.529 3.694 20 30 FHEDRO CC(C)C[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccc(C#N)cc1 ZINC000434835584 942992837 /nfs/dbraw/zinc/99/28/37/942992837.db2.gz DNHQKFDYSALVIL-UHFFFAOYSA-N 1 0 368.456 3.766 20 30 FHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000184322677 942998883 /nfs/dbraw/zinc/99/88/83/942998883.db2.gz DPKKXALTNZNDHX-HNNXBMFYSA-N 1 0 372.494 3.635 20 30 FHEDRO N#Cc1c(N)sc(CN2CC[NH+](CC3CCCCC3)CC2)c1Cl ZINC001141109455 943013671 /nfs/dbraw/zinc/01/36/71/943013671.db2.gz RLDQSTBLBRNTIK-UHFFFAOYSA-N 1 0 352.935 3.553 20 30 FHEDRO CCCOc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC000434884909 943029912 /nfs/dbraw/zinc/02/99/12/943029912.db2.gz GJEHGVURNJFABC-UHFFFAOYSA-N 1 0 363.461 3.734 20 30 FHEDRO CC1(C)CC(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC(C)(C)[NH2+]1 ZINC000416677522 943031061 /nfs/dbraw/zinc/03/10/61/943031061.db2.gz FHDYADWECQJSFS-GOSISDBHSA-N 1 0 354.498 3.544 20 30 FHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000416692583 943036439 /nfs/dbraw/zinc/03/64/39/943036439.db2.gz TZXWMBXDZBXGSM-DYESRHJHSA-N 1 0 368.525 3.747 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000416696753 943047949 /nfs/dbraw/zinc/04/79/49/943047949.db2.gz VTTWHMONFPNSTR-NRFANRHFSA-N 1 0 368.525 3.891 20 30 FHEDRO CCOCCOCc1cccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271828682 943056891 /nfs/dbraw/zinc/05/68/91/943056891.db2.gz DLEXVZOFAUZHBU-SFHVURJKSA-N 1 0 368.477 3.993 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCC[C@H]2C)cc1 ZINC000505583154 943082051 /nfs/dbraw/zinc/08/20/51/943082051.db2.gz ZLFUFZOGJSYEAX-XLIONFOSSA-N 1 0 357.498 3.842 20 30 FHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cc(F)cc(F)c1 ZINC000434985612 943086432 /nfs/dbraw/zinc/08/64/32/943086432.db2.gz JJLKVERJKLPMSP-UHFFFAOYSA-N 1 0 367.403 3.769 20 30 FHEDRO Cc1cc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)ccc1F ZINC000434989061 943088093 /nfs/dbraw/zinc/08/80/93/943088093.db2.gz ZINURZNUERVHSF-UHFFFAOYSA-N 1 0 363.440 3.938 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000272054547 943088454 /nfs/dbraw/zinc/08/84/54/943088454.db2.gz YMFMVPONRUREHA-PGRDOPGGSA-N 1 0 373.500 3.882 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCC1CCCCC1 ZINC000503264227 943091534 /nfs/dbraw/zinc/09/15/34/943091534.db2.gz YFWNLWRSRCSLPU-UHFFFAOYSA-N 1 0 370.541 3.992 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1 ZINC000503272701 943094870 /nfs/dbraw/zinc/09/48/70/943094870.db2.gz RYITWTQYSGTZGZ-SFHVURJKSA-N 1 0 362.267 3.837 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)CC2)c1 ZINC000435007368 943096675 /nfs/dbraw/zinc/09/66/75/943096675.db2.gz GYQFSODTQBGHLL-NRFANRHFSA-N 1 0 365.521 3.751 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000363937928 943101084 /nfs/dbraw/zinc/10/10/84/943101084.db2.gz IZUNBYWMVTVFGQ-VQIMIIECSA-N 1 0 370.884 3.957 20 30 FHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000508088629 943108687 /nfs/dbraw/zinc/10/86/87/943108687.db2.gz PBHFWIXDAFJQNE-UHFFFAOYSA-N 1 0 359.518 3.700 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)c1 ZINC000435052185 943124800 /nfs/dbraw/zinc/12/48/00/943124800.db2.gz SEZYZCFPBSOSLD-IBGZPJMESA-N 1 0 363.461 3.526 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000435052219 943125000 /nfs/dbraw/zinc/12/50/00/943125000.db2.gz SRBLUQLUAHRNNM-OAQYLSRUSA-N 1 0 361.489 3.789 20 30 FHEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435060426 943132026 /nfs/dbraw/zinc/13/20/26/943132026.db2.gz ZEZPZIVHHYIRDL-SUMDDJOVSA-N 1 0 365.502 3.912 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000272365610 943144048 /nfs/dbraw/zinc/14/40/48/943144048.db2.gz CMWZYNQIIHNAKV-SFHVURJKSA-N 1 0 368.525 3.896 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272512980 943168594 /nfs/dbraw/zinc/16/85/94/943168594.db2.gz KFFXECWOUOYWEU-OAHLLOKOSA-N 1 0 360.527 3.792 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272512975 943168889 /nfs/dbraw/zinc/16/88/89/943168889.db2.gz KFFXECWOUOYWEU-HNNXBMFYSA-N 1 0 360.527 3.792 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2cc(F)c(F)cc21)C(C)C ZINC000503418057 943174695 /nfs/dbraw/zinc/17/46/95/943174695.db2.gz XXLPVAAFYGZPGR-LJQANCHMSA-N 1 0 363.452 3.736 20 30 FHEDRO N#Cc1ccnc(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000425284364 943187374 /nfs/dbraw/zinc/18/73/74/943187374.db2.gz QMXIICDOGGNJTQ-MRXNPFEDSA-N 1 0 354.435 3.618 20 30 FHEDRO C[C@@H](NC(=O)NC(C)(C)CC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000422619427 943209507 /nfs/dbraw/zinc/20/95/07/943209507.db2.gz NCCAQQUEBNAYFH-OAHLLOKOSA-N 1 0 350.466 3.713 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000510025305 943209443 /nfs/dbraw/zinc/20/94/43/943209443.db2.gz BSLCQUHWLVWYLX-IBGZPJMESA-N 1 0 351.450 3.647 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1OCc1ccccc1)C(=O)Nc1ccccc1C#N ZINC000503514657 943228973 /nfs/dbraw/zinc/22/89/73/943228973.db2.gz AELJBZCHONVSEX-ORYQWCPZSA-N 1 0 363.461 3.613 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2Oc2cccc(C)c2)CC1 ZINC000435184436 943235149 /nfs/dbraw/zinc/23/51/49/943235149.db2.gz SECOUDYIULFAIG-LEWJYISDSA-N 1 0 371.525 3.635 20 30 FHEDRO COc1cc(C[NH2+]CCCC#N)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000273093286 943273914 /nfs/dbraw/zinc/27/39/14/943273914.db2.gz TVPDNYYEDOEUOB-UHFFFAOYSA-N 1 0 355.394 3.576 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000503593956 943280661 /nfs/dbraw/zinc/28/06/61/943280661.db2.gz GYPALOUUVGBXBV-SFHVURJKSA-N 1 0 368.525 3.754 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000435263195 943289010 /nfs/dbraw/zinc/28/90/10/943289010.db2.gz OUZCFIRQHABINU-PGRDOPGGSA-N 1 0 373.500 3.759 20 30 FHEDRO C=CCOc1ccccc1CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422904683 943326565 /nfs/dbraw/zinc/32/65/65/943326565.db2.gz HJAVLGJMHBBTOF-RBBKRZOGSA-N 1 0 352.478 3.843 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC1CCC(C#N)CC1 ZINC000514837469 943331338 /nfs/dbraw/zinc/33/13/38/943331338.db2.gz UTUNDAGVWGYGRG-HDYDNRTBSA-N 1 0 368.525 3.622 20 30 FHEDRO COC(=O)c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425355702 943348549 /nfs/dbraw/zinc/34/85/49/943348549.db2.gz OZAKMYMZNKXPOO-FXAWDEMLSA-N 1 0 364.445 3.834 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](c3ccc(CC)cc3)C2)CC1 ZINC000431921089 943348969 /nfs/dbraw/zinc/34/89/69/943348969.db2.gz WDPNWVDRYUBHHJ-FQEVSTJZSA-N 1 0 355.526 3.788 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435357417 943353933 /nfs/dbraw/zinc/35/39/33/943353933.db2.gz LDKXXGOPELGIBZ-XMSQKQJNSA-N 1 0 373.500 3.617 20 30 FHEDRO C=C(C)[C@H](CC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)OCC ZINC000503766697 943362833 /nfs/dbraw/zinc/36/28/33/943362833.db2.gz AJVRUIXPGQMFNT-FQEVSTJZSA-N 1 0 359.514 3.527 20 30 FHEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000514889510 943364174 /nfs/dbraw/zinc/36/41/74/943364174.db2.gz KJUMWSCCDGLDIP-SFHVURJKSA-N 1 0 353.510 3.819 20 30 FHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000423048138 943368295 /nfs/dbraw/zinc/36/82/95/943368295.db2.gz IEYQSXXLKIUTJI-HXUWFJFHSA-N 1 0 369.509 3.737 20 30 FHEDRO COCCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000425365998 943375949 /nfs/dbraw/zinc/37/59/49/943375949.db2.gz NTWXKZXVTUJPAH-MRXNPFEDSA-N 1 0 354.450 3.785 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc(OC)c1O ZINC000425374540 943395117 /nfs/dbraw/zinc/39/51/17/943395117.db2.gz SFOVUCFIPUCJLZ-NRFANRHFSA-N 1 0 357.494 3.910 20 30 FHEDRO C=CCOc1ccc(CN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435433620 943397021 /nfs/dbraw/zinc/39/70/21/943397021.db2.gz SYRIHIIBFVOZJL-LJQANCHMSA-N 1 0 369.534 3.852 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000435453945 943413629 /nfs/dbraw/zinc/41/36/29/943413629.db2.gz ODUVDRYZLFYDSU-HNNXBMFYSA-N 1 0 351.450 3.853 20 30 FHEDRO C=C(C)[C@@H]([NH2+]CCc1c(C)nc2ccccn2c1=O)c1ccc(F)c(F)c1 ZINC000514971573 943424548 /nfs/dbraw/zinc/42/45/48/943424548.db2.gz AGFNOGDVKBRQSJ-HXUWFJFHSA-N 1 0 369.415 3.731 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000505698591 943428868 /nfs/dbraw/zinc/42/88/68/943428868.db2.gz YYWYYFWJJFYXNF-CABCVRRESA-N 1 0 353.919 3.726 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1C#N ZINC000435545994 943479231 /nfs/dbraw/zinc/47/92/31/943479231.db2.gz NWRJNZIDMMLZQU-UHFFFAOYSA-N 1 0 358.486 3.731 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1C#N ZINC000435552275 943483813 /nfs/dbraw/zinc/48/38/13/943483813.db2.gz QCRZYXSEKDLUAY-SFHVURJKSA-N 1 0 360.502 3.833 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1C#N ZINC000435562480 943486246 /nfs/dbraw/zinc/48/62/46/943486246.db2.gz GIRRVCVSAKZSLB-MRXNPFEDSA-N 1 0 358.486 3.589 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)CC2 ZINC000423381373 943496777 /nfs/dbraw/zinc/49/67/77/943496777.db2.gz ZNVFYIFHSQPZLM-MAODMQOUSA-N 1 0 353.416 3.559 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1C#N ZINC000435556578 943497156 /nfs/dbraw/zinc/49/71/56/943497156.db2.gz DIIDUSZZMOHYKX-QGZVFWFLSA-N 1 0 372.494 3.831 20 30 FHEDRO N#Cc1ccc([C@@H]([NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)C(N)=O)cc1 ZINC000435659302 943531576 /nfs/dbraw/zinc/53/15/76/943531576.db2.gz IDIIUSTZANKQCC-KBAYOESNSA-N 1 0 373.378 3.639 20 30 FHEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)n2c1 ZINC000584746933 943532710 /nfs/dbraw/zinc/53/27/10/943532710.db2.gz PDZVWCBKNPOICA-RBUKOAKNSA-N 1 0 368.387 3.574 20 30 FHEDRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458849422 943560993 /nfs/dbraw/zinc/56/09/93/943560993.db2.gz SVLIWKPCPLNRMH-FQEVSTJZSA-N 1 0 356.514 3.939 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000435735727 943588627 /nfs/dbraw/zinc/58/86/27/943588627.db2.gz PNSKWAOMLGMHJN-PXAZEXFGSA-N 1 0 367.280 3.645 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000435745552 943594676 /nfs/dbraw/zinc/59/46/76/943594676.db2.gz NTFNIUZMMAGEQB-KNQAVFIVSA-N 1 0 369.509 3.628 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000435746263 943595301 /nfs/dbraw/zinc/59/53/01/943595301.db2.gz VRNGZLFXJFIZDH-QSFXBCCZSA-N 1 0 365.901 3.969 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC(C1CCC1)C1CCC1 ZINC000511632828 943672840 /nfs/dbraw/zinc/67/28/40/943672840.db2.gz YNRVSXZLCJISTM-UHFFFAOYSA-N 1 0 368.525 3.600 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000424069578 943708196 /nfs/dbraw/zinc/70/81/96/943708196.db2.gz PZYUZMJDNADLNU-PBHICJAKSA-N 1 0 356.495 3.625 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000424105227 943720342 /nfs/dbraw/zinc/72/03/42/943720342.db2.gz VDEAZLWXCNSFQE-RTBURBONSA-N 1 0 355.869 3.761 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000424113935 943738384 /nfs/dbraw/zinc/73/83/84/943738384.db2.gz PDJFLTIXOBBMDC-JKSUJKDBSA-N 1 0 353.388 3.780 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000424114830 943738828 /nfs/dbraw/zinc/73/88/28/943738828.db2.gz SGMQAVZORSDCOK-QGZVFWFLSA-N 1 0 359.376 3.503 20 30 FHEDRO Cc1cccc(COc2ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)cc2)c1 ZINC000424117943 943741056 /nfs/dbraw/zinc/74/10/56/943741056.db2.gz ZJWNLJXNGOTFQR-UTKZUKDTSA-N 1 0 365.477 3.772 20 30 FHEDRO CC(C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Cc1ccc(Cl)cc1Cl ZINC000424135211 943747669 /nfs/dbraw/zinc/74/76/69/943747669.db2.gz JCIFEQPNLHANBT-YOEHRIQHSA-N 1 0 370.324 3.945 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000424177336 943761162 /nfs/dbraw/zinc/76/11/62/943761162.db2.gz ZVOGVCXXPAXFFY-LIRRHRJNSA-N 1 0 352.881 3.624 20 30 FHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(C#N)c(C)c3)CCN2C2CC2)c1 ZINC000549476627 943817321 /nfs/dbraw/zinc/81/73/21/943817321.db2.gz FZAAWKFILGDAEJ-PKTZIBPZSA-N 1 0 361.489 3.943 20 30 FHEDRO N#Cc1ccc(C2=CCN(C(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000515355228 943820761 /nfs/dbraw/zinc/82/07/61/943820761.db2.gz DDICEWYGIROYQG-QHCPKHFHSA-N 1 0 371.484 3.696 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000424290349 943821377 /nfs/dbraw/zinc/82/13/77/943821377.db2.gz BMGYOSZZRNOXHK-XEZPLFJOSA-N 1 0 356.388 3.603 20 30 FHEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000424295888 943825094 /nfs/dbraw/zinc/82/50/94/943825094.db2.gz NRDINLTUQPLGME-IRXDYDNUSA-N 1 0 350.388 3.909 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1Cl ZINC000437504570 943868517 /nfs/dbraw/zinc/86/85/17/943868517.db2.gz MBPGRSPBRWONCH-IAGOWNOFSA-N 1 0 363.914 3.900 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H](C)C2)c1C#N ZINC000123031930 943895334 /nfs/dbraw/zinc/89/53/34/943895334.db2.gz JLWBNDMAVBGXAF-HNNXBMFYSA-N 1 0 368.481 3.678 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCCc1cccc(C#N)c1)c1ccsc1 ZINC000584487217 943901905 /nfs/dbraw/zinc/90/19/05/943901905.db2.gz RUZFYFPSFIZZDK-IBGZPJMESA-N 1 0 370.522 3.545 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000437545347 943918304 /nfs/dbraw/zinc/91/83/04/943918304.db2.gz GOXBRRXCUBMILG-CRAIPNDOSA-N 1 0 353.466 3.955 20 30 FHEDRO C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000425438383 943936742 /nfs/dbraw/zinc/93/67/42/943936742.db2.gz ANYAUPWTSVWPNY-QZTJIDSGSA-N 1 0 364.493 3.781 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000515507666 943940942 /nfs/dbraw/zinc/94/09/42/943940942.db2.gz ISRVJKDQNAWGDD-VTPLQMEGSA-N 1 0 359.495 3.516 20 30 FHEDRO CCCCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001270238091 943947788 /nfs/dbraw/zinc/94/77/88/943947788.db2.gz LFLRDHOXKOXGGG-OYRHEFFESA-N 1 0 365.606 3.859 20 30 FHEDRO C=CCC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccco1 ZINC000517046374 943949611 /nfs/dbraw/zinc/94/96/11/943949611.db2.gz GJFDBUHWNSVDDZ-GOSISDBHSA-N 1 0 360.479 3.617 20 30 FHEDRO CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCn1ccnc1 ZINC001270238483 943950749 /nfs/dbraw/zinc/95/07/49/943950749.db2.gz XZXFKRVCTFROFH-PMACEKPBSA-N 1 0 360.546 3.699 20 30 FHEDRO N#CCC[C@@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000417920176 943952614 /nfs/dbraw/zinc/95/26/14/943952614.db2.gz QNIBHFYQVKBCIB-VQTJNVASSA-N 1 0 350.466 3.811 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000505001050 943953058 /nfs/dbraw/zinc/95/30/58/943953058.db2.gz NREQYPTVTXLXHH-QGZVFWFLSA-N 1 0 357.498 3.522 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000417931442 943971291 /nfs/dbraw/zinc/97/12/91/943971291.db2.gz LFLKUUKIBGQJRB-INIZCTEOSA-N 1 0 355.404 3.845 20 30 FHEDRO C=CCN(C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H](C)COC ZINC000664519147 943975918 /nfs/dbraw/zinc/97/59/18/943975918.db2.gz HOOHLZMAXLKGAC-QKNQBKEWSA-N 1 0 373.541 3.520 20 30 FHEDRO N#Cc1ccc(-c2noc([C@@H]3C[C@@H](C(F)(F)F)C[NH2+]3)n2)c2ccccc12 ZINC001211654204 943981301 /nfs/dbraw/zinc/98/13/01/943981301.db2.gz BDUTXLMSUSBVQO-ABAIWWIYSA-N 1 0 358.323 3.974 20 30 FHEDRO C=CCC[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000417945566 943991303 /nfs/dbraw/zinc/99/13/03/943991303.db2.gz XVYFIPPLQQLLDB-HOTGVXAUSA-N 1 0 355.404 3.749 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000500041766 943996944 /nfs/dbraw/zinc/99/69/44/943996944.db2.gz XPQGENNNHFEYHG-IAGOWNOFSA-N 1 0 362.477 3.993 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000436100171 944014257 /nfs/dbraw/zinc/01/42/57/944014257.db2.gz JFZARARQMWHAMX-JHJVBQTASA-N 1 0 369.387 3.699 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000425466820 944021936 /nfs/dbraw/zinc/02/19/36/944021936.db2.gz BWUSTPRHXPUQNK-MRXNPFEDSA-N 1 0 368.456 3.532 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]([NH3+])C2)cc1Cl ZINC000414910834 944029878 /nfs/dbraw/zinc/02/98/78/944029878.db2.gz SGZXGNPNDRXCTG-PBHICJAKSA-N 1 0 354.841 3.560 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000566552212 944033728 /nfs/dbraw/zinc/03/37/28/944033728.db2.gz IALAHENRUAMQNF-MRXNPFEDSA-N 1 0 353.491 3.639 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000436121534 944034748 /nfs/dbraw/zinc/03/47/48/944034748.db2.gz ATULQLKUNPRVID-OAHLLOKOSA-N 1 0 351.450 3.622 20 30 FHEDRO COc1cccc([C@@H](CNc2snc(Cl)c2C#N)[NH+]2CCCC2)c1 ZINC000092582878 944035300 /nfs/dbraw/zinc/03/53/00/944035300.db2.gz HIKGJZZKTBCMNS-OAHLLOKOSA-N 1 0 362.886 3.926 20 30 FHEDRO C[C@@H](NC(=O)N1CCC(C[NH3+])CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990790 944039989 /nfs/dbraw/zinc/03/99/89/944039989.db2.gz KWLUKJAISVDMTL-MRXNPFEDSA-N 1 0 362.477 3.667 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000417989187 944045166 /nfs/dbraw/zinc/04/51/66/944045166.db2.gz QIOAYCIQSNNQBJ-PXNSSMCTSA-N 1 0 362.477 3.542 20 30 FHEDRO C[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417997977 944046615 /nfs/dbraw/zinc/04/66/15/944046615.db2.gz SPOQIORGVGWIQQ-INIZCTEOSA-N 1 0 362.477 3.680 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000436138988 944050872 /nfs/dbraw/zinc/05/08/72/944050872.db2.gz MNHUFVKHPZFKCD-HOTGVXAUSA-N 1 0 365.477 3.868 20 30 FHEDRO C=CCC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CCOCC1 ZINC000424720220 944069380 /nfs/dbraw/zinc/06/93/80/944069380.db2.gz KOWNOHKDNDEELZ-NRFANRHFSA-N 1 0 370.537 3.949 20 30 FHEDRO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000424703059 944075905 /nfs/dbraw/zinc/07/59/05/944075905.db2.gz GMDFQANCFKDNKH-QUCCMNQESA-N 1 0 356.510 3.529 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000517190964 944086760 /nfs/dbraw/zinc/08/67/60/944086760.db2.gz AELITSBZGFZVFI-KCLUMXDGSA-N 1 0 356.510 3.516 20 30 FHEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000517207512 944106666 /nfs/dbraw/zinc/10/66/66/944106666.db2.gz NZBFDVFPOPYEHI-OAHLLOKOSA-N 1 0 367.415 3.561 20 30 FHEDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414914884 944154155 /nfs/dbraw/zinc/15/41/55/944154155.db2.gz YBLXTPBISYAILM-KBXCAEBGSA-N 1 0 370.884 3.972 20 30 FHEDRO C=CCc1cc(C[NH2+]CCN2c3ccccc3C[C@@H]2C)cc(OC)c1O ZINC000500137393 944157930 /nfs/dbraw/zinc/15/79/30/944157930.db2.gz IHPPIPRJBKLHMB-INIZCTEOSA-N 1 0 352.478 3.670 20 30 FHEDRO N#CC1(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)cc2)CC1 ZINC000437855396 944175412 /nfs/dbraw/zinc/17/54/12/944175412.db2.gz XQUOMNSWPALUJE-FQEVSTJZSA-N 1 0 351.494 3.769 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000436303408 944187035 /nfs/dbraw/zinc/18/70/35/944187035.db2.gz BNDWUWHYWFNOPJ-KNBMTAEXSA-N 1 0 364.917 3.648 20 30 FHEDRO C=CC[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1F ZINC000515776006 944200035 /nfs/dbraw/zinc/20/00/35/944200035.db2.gz CEXRBWIILHEEMU-UHFFFAOYSA-N 1 0 355.413 3.552 20 30 FHEDRO N#Cc1ccc(C[NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000078721130 944216474 /nfs/dbraw/zinc/21/64/74/944216474.db2.gz COPZUBQYHUXAFU-UHFFFAOYSA-N 1 0 354.763 3.827 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]Cc2cc(Br)cs2)O1 ZINC000364292462 944247989 /nfs/dbraw/zinc/24/79/89/944247989.db2.gz VJISJDKVYOTHRI-NGFQHRJXSA-N 1 0 355.301 3.840 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@H](C1CCOCC1)C1(CO)CCC1 ZINC000425531548 944255307 /nfs/dbraw/zinc/25/53/07/944255307.db2.gz AESNSCRSFLOYPX-HXUWFJFHSA-N 1 0 356.510 3.535 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000425531211 944256075 /nfs/dbraw/zinc/25/60/75/944256075.db2.gz GYKZHQPJXYMCPD-HNNXBMFYSA-N 1 0 355.869 3.911 20 30 FHEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000541541687 944256924 /nfs/dbraw/zinc/25/69/24/944256924.db2.gz CJNLWFUKXZCVNU-SFHVURJKSA-N 1 0 351.475 3.855 20 30 FHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3csc(C#N)c3)CC2)cc1 ZINC000894567354 944266714 /nfs/dbraw/zinc/26/67/14/944266714.db2.gz WVEUETKIZAQSIC-HXUWFJFHSA-N 1 0 356.491 3.964 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000437982950 944267346 /nfs/dbraw/zinc/26/73/46/944267346.db2.gz GMWFKPGZDUGCPS-NHCUHLMSSA-N 1 0 373.541 3.521 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000418214877 944276206 /nfs/dbraw/zinc/27/62/06/944276206.db2.gz MHPDYFITZUPHKE-VQTJNVASSA-N 1 0 354.498 3.595 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](C)C(F)(F)F ZINC000439044645 944282969 /nfs/dbraw/zinc/28/29/69/944282969.db2.gz QDRSEYIDJOFLIU-CYBMUJFWSA-N 1 0 362.465 3.783 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000425536482 944283475 /nfs/dbraw/zinc/28/34/75/944283475.db2.gz OQRALKVTYFQDPK-KKSFZXQISA-N 1 0 358.445 3.618 20 30 FHEDRO CCC[N@H+](Cc1ccc(C#N)s1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000126512823 944297446 /nfs/dbraw/zinc/29/74/46/944297446.db2.gz UWTJDALGVZSJAM-UHFFFAOYSA-N 1 0 369.538 3.908 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)cccc2Br)CC1 ZINC000517449317 944307820 /nfs/dbraw/zinc/30/78/20/944307820.db2.gz OYQMOBAWBPSIKO-UHFFFAOYSA-N 1 0 351.288 3.528 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000438057988 944319439 /nfs/dbraw/zinc/31/94/39/944319439.db2.gz LCOLGVOXYJAMLH-GOSISDBHSA-N 1 0 366.427 3.887 20 30 FHEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000425554512 944325101 /nfs/dbraw/zinc/32/51/01/944325101.db2.gz WPROAIODPFCDPF-AWEZNQCLSA-N 1 0 367.415 3.521 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCCNc1nc(C#N)c(C#N)nc1-c1ccccc1 ZINC001167752593 944357099 /nfs/dbraw/zinc/35/70/99/944357099.db2.gz WMIBRGJYPVAOQH-MRXNPFEDSA-N 1 0 360.465 3.563 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000025358075 944369407 /nfs/dbraw/zinc/36/94/07/944369407.db2.gz AOECUKISTYAYTK-QFIPXVFZSA-N 1 0 364.489 3.634 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123531501 944374267 /nfs/dbraw/zinc/37/42/67/944374267.db2.gz PKQLRKQXNFFGRG-UHFFFAOYSA-N 1 0 361.795 3.666 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](C)[N@H+]1C ZINC000436504344 944375057 /nfs/dbraw/zinc/37/50/57/944375057.db2.gz OZWRHZHZYHSMHO-IYBDPMFKSA-N 1 0 364.449 3.907 20 30 FHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)c(OC)c1 ZINC000015366987 944406152 /nfs/dbraw/zinc/40/61/52/944406152.db2.gz WISITUGXPSELMI-FQEVSTJZSA-N 1 0 352.434 3.791 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)C2=O)cc1 ZINC000437781129 944424650 /nfs/dbraw/zinc/42/46/50/944424650.db2.gz FHLBKUDRHXICJZ-UXLLHSPISA-N 1 0 365.399 3.764 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000111770279 944428868 /nfs/dbraw/zinc/42/88/68/944428868.db2.gz XVYXAFDLRQXBMR-UHFFFAOYSA-N 1 0 374.488 3.643 20 30 FHEDRO CC(C)[NH+](CCN(C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000505851045 944453931 /nfs/dbraw/zinc/45/39/31/944453931.db2.gz KLEKIXQDUSWFQS-HNNXBMFYSA-N 1 0 364.921 3.589 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(C#N)cs2)cc1 ZINC000438272871 944457343 /nfs/dbraw/zinc/45/73/43/944457343.db2.gz QWBQXXKJUJTHNA-HNNXBMFYSA-N 1 0 353.491 3.924 20 30 FHEDRO COCCOc1ccc(C#N)cc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000541559937 944458902 /nfs/dbraw/zinc/45/89/02/944458902.db2.gz QCDIPKCQAMSTCM-DYESRHJHSA-N 1 0 365.477 3.516 20 30 FHEDRO CC(C)[NH+](CCN(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000505857039 944499012 /nfs/dbraw/zinc/49/90/12/944499012.db2.gz NEOYKQJYEFJSRO-UHFFFAOYSA-N 1 0 364.921 3.591 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000517678181 944505278 /nfs/dbraw/zinc/50/52/78/944505278.db2.gz ACJSSEOOVGOPEV-UHFFFAOYSA-N 1 0 364.449 3.958 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000518581849 944507012 /nfs/dbraw/zinc/50/70/12/944507012.db2.gz RNLNRXUCGLSQDQ-YOEHRIQHSA-N 1 0 353.491 3.780 20 30 FHEDRO FC(F)(F)c1cc(CN[C@@H]2C[NH2+]CCC2(F)F)cc(C(F)(F)F)c1 ZINC000414993414 944515148 /nfs/dbraw/zinc/51/51/48/944515148.db2.gz CHGMPZFYFMLITR-LLVKDONJSA-N 1 0 362.264 3.811 20 30 FHEDRO FC(F)(F)c1cc(CN[C@H]2C[NH2+]CCC2(F)F)cc(C(F)(F)F)c1 ZINC000414993415 944515369 /nfs/dbraw/zinc/51/53/69/944515369.db2.gz CHGMPZFYFMLITR-NSHDSACASA-N 1 0 362.264 3.811 20 30 FHEDRO CC1(C)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@H]1O ZINC000438334829 944515919 /nfs/dbraw/zinc/51/59/19/944515919.db2.gz ASVVUAZAVWDCDW-OAQYLSRUSA-N 1 0 350.462 3.730 20 30 FHEDRO CCc1sc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1C ZINC000047010483 944518315 /nfs/dbraw/zinc/51/83/15/944518315.db2.gz RVYCWBXQYWDOOD-UHFFFAOYSA-N 1 0 355.507 3.695 20 30 FHEDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000425612562 944548520 /nfs/dbraw/zinc/54/85/20/944548520.db2.gz UTEFJTXXCGKAKS-QHAWAJNXSA-N 1 0 359.473 3.571 20 30 FHEDRO CCOCOc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000783418546 944563186 /nfs/dbraw/zinc/56/31/86/944563186.db2.gz DVCGTLSKQMMUKJ-UHFFFAOYSA-N 1 0 365.477 3.643 20 30 FHEDRO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)c1cccc(OC)c1 ZINC000516198723 944570694 /nfs/dbraw/zinc/57/06/94/944570694.db2.gz YNMHQUKEGKUTBL-KRWDZBQOSA-N 1 0 357.498 3.763 20 30 FHEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000517747549 944573654 /nfs/dbraw/zinc/57/36/54/944573654.db2.gz XGALPUIWFXPIDW-IBGZPJMESA-N 1 0 351.406 3.984 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000516242159 944610765 /nfs/dbraw/zinc/61/07/65/944610765.db2.gz FTBPBRINVDVGNC-GUDVDZBRSA-N 1 0 370.541 3.846 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000516242158 944610949 /nfs/dbraw/zinc/61/09/49/944610949.db2.gz FTBPBRINVDVGNC-GBESFXJTSA-N 1 0 370.541 3.846 20 30 FHEDRO CCOc1ccccc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438472740 944632019 /nfs/dbraw/zinc/63/20/19/944632019.db2.gz ZWMKVZRMTGXFEC-UHFFFAOYSA-N 1 0 351.450 3.832 20 30 FHEDRO C[N@H+](Cc1ccc(C#N)cc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000439454062 944639829 /nfs/dbraw/zinc/63/98/29/944639829.db2.gz REMQMAFBWPCPLC-UHFFFAOYSA-N 1 0 367.880 3.948 20 30 FHEDRO C=CC[C@@H](CC)NC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000439499664 944705300 /nfs/dbraw/zinc/70/53/00/944705300.db2.gz KYQFHMPIGVQKTP-QGZVFWFLSA-N 1 0 372.513 3.977 20 30 FHEDRO N#Cc1cccc(CC[NH2+]Cc2c(F)ccc(Br)c2F)c1 ZINC000500387286 944712448 /nfs/dbraw/zinc/71/24/48/944712448.db2.gz VZTOGYQQTMAVJP-UHFFFAOYSA-N 1 0 351.194 3.931 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000425643631 944756716 /nfs/dbraw/zinc/75/67/16/944756716.db2.gz IXUVLXSIERGAIB-OXJNMPFZSA-N 1 0 350.466 3.564 20 30 FHEDRO CC1(C#N)CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000506953213 944792683 /nfs/dbraw/zinc/79/26/83/944792683.db2.gz PNTNRYPOOQUAED-UHFFFAOYSA-N 1 0 354.498 3.873 20 30 FHEDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(C#N)cc1 ZINC000518813991 944808397 /nfs/dbraw/zinc/80/83/97/944808397.db2.gz JDPDNJKHSVIUKH-DYESRHJHSA-N 1 0 368.525 3.963 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000518852231 944865269 /nfs/dbraw/zinc/86/52/69/944865269.db2.gz GPCGSPFWWPQTAB-MSOLQXFVSA-N 1 0 353.514 3.516 20 30 FHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438645225 944889381 /nfs/dbraw/zinc/88/93/81/944889381.db2.gz DHJXFNDAAXQPFC-BETUJISGSA-N 1 0 368.403 3.961 20 30 FHEDRO N#Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000505927960 944911165 /nfs/dbraw/zinc/91/11/65/944911165.db2.gz GPQDABRZONQSHA-GOSISDBHSA-N 1 0 355.388 3.654 20 30 FHEDRO N#Cc1ccnc(N2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000507091347 944929523 /nfs/dbraw/zinc/92/95/23/944929523.db2.gz ZJFBFPZRSWPGCU-UHFFFAOYSA-N 1 0 368.484 3.907 20 30 FHEDRO N#Cc1cscc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000432049361 944950908 /nfs/dbraw/zinc/95/09/08/944950908.db2.gz VRBUKJIZOOXGBM-UHFFFAOYSA-N 1 0 359.882 3.668 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000511714949 944957630 /nfs/dbraw/zinc/95/76/30/944957630.db2.gz XEIJOLFDQYRLBH-QGZVFWFLSA-N 1 0 359.901 3.986 20 30 FHEDRO C[N@H+](CCCNC(=O)Nc1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000426146898 945006386 /nfs/dbraw/zinc/00/63/86/945006386.db2.gz AJRUJOQOKRXNGD-UHFFFAOYSA-N 1 0 356.857 3.855 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@](F)(c3ccccc3C)C2)CC1 ZINC000507178782 945010138 /nfs/dbraw/zinc/01/01/38/945010138.db2.gz IVWPPFLRRVYZBT-NRFANRHFSA-N 1 0 359.489 3.616 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@]2(c3cccc(C)c3)C[C@@H]2CC)CC1 ZINC000507185191 945015422 /nfs/dbraw/zinc/01/54/22/945015422.db2.gz YSFJVFRLEIYOEC-AVRDEDQJSA-N 1 0 355.526 3.960 20 30 FHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCc1ccc(CC#N)cc1)[NH+](C)C ZINC000516566423 945015552 /nfs/dbraw/zinc/01/55/52/945015552.db2.gz ZHAPCGCMARKUOF-LAUBAEHRSA-N 1 0 364.493 3.552 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000432083980 945026660 /nfs/dbraw/zinc/02/66/60/945026660.db2.gz BJRNVHYSOOREKL-KRWDZBQOSA-N 1 0 369.431 3.672 20 30 FHEDRO C#Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)cn1 ZINC000728804414 945037492 /nfs/dbraw/zinc/03/74/92/945037492.db2.gz XUSUZQJEQKRZJL-LJQANCHMSA-N 1 0 355.869 3.529 20 30 FHEDRO N#Cc1c(Cl)cccc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000507215137 945046009 /nfs/dbraw/zinc/04/60/09/945046009.db2.gz LNGSWWIXMAVVEP-UHFFFAOYSA-N 1 0 354.885 3.836 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000507618450 945380510 /nfs/dbraw/zinc/38/05/10/945380510.db2.gz CTSQHRAIEFCCJL-BVVFMGSASA-N 1 0 366.480 3.970 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330165796 945382790 /nfs/dbraw/zinc/38/27/90/945382790.db2.gz XHOTZXSGTMABKG-DENIHFKCSA-N 1 0 372.509 3.681 20 30 FHEDRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330169420 945386424 /nfs/dbraw/zinc/38/64/24/945386424.db2.gz BJVHJHBGSICQDX-HNNXBMFYSA-N 1 0 370.280 3.667 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1C(C)C ZINC000330172661 945387852 /nfs/dbraw/zinc/38/78/52/945387852.db2.gz GPLSXNKMRWWKKJ-IRXDYDNUSA-N 1 0 361.534 3.767 20 30 FHEDRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000330216448 945406336 /nfs/dbraw/zinc/40/63/36/945406336.db2.gz HUNOBKYHPNADSN-KHIZAZIESA-N 1 0 352.862 3.791 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000507654283 945406596 /nfs/dbraw/zinc/40/65/96/945406596.db2.gz SNPNVLWCXQGKEG-SNCIUUNGSA-N 1 0 368.452 3.559 20 30 FHEDRO O=C(CC[N@@H+]1CCc2cc[nH]c(=O)c2C1)N[C@@H]1CCCc2ccccc21 ZINC000330220522 945409261 /nfs/dbraw/zinc/40/92/61/945409261.db2.gz QKBNNOWULPGRKI-LJQANCHMSA-N 1 0 351.450 3.570 20 30 FHEDRO C[NH+](C)C1(CNC(=O)N[C@H]2CCOC3(CCCC3)C2)CCCCCC1 ZINC000330236615 945416799 /nfs/dbraw/zinc/41/67/99/945416799.db2.gz ZIBSIJXTPYMSGB-KRWDZBQOSA-N 1 0 351.535 3.636 20 30 FHEDRO Cc1cccc(OC[C@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507661311 945431914 /nfs/dbraw/zinc/43/19/14/945431914.db2.gz SZIASMIEGPISGZ-WQMHRJNTSA-N 1 0 364.489 3.729 20 30 FHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@H]1CCOC1 ZINC000330266398 945433675 /nfs/dbraw/zinc/43/36/75/945433675.db2.gz PXHLDBIPLMJFRA-UONOGXRCSA-N 1 0 361.511 3.833 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c(C)c1 ZINC000330265640 945433964 /nfs/dbraw/zinc/43/39/64/945433964.db2.gz ZMSIMTUATKIKPX-KRWDZBQOSA-N 1 0 359.470 3.554 20 30 FHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000330266730 945434048 /nfs/dbraw/zinc/43/40/48/945434048.db2.gz QBKQWOUQVWBLCZ-ILXRZTDVSA-N 1 0 358.486 3.538 20 30 FHEDRO O=C(NC[C@H]1CCC(F)(F)C1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000330267135 945434171 /nfs/dbraw/zinc/43/41/71/945434171.db2.gz HYOMBZWOYYAHTF-AWEZNQCLSA-N 1 0 366.456 3.748 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 ZINC000507686537 945449759 /nfs/dbraw/zinc/44/97/59/945449759.db2.gz YMVFUFSWZYLEHK-UHFFFAOYSA-N 1 0 369.440 3.554 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000415011534 945473220 /nfs/dbraw/zinc/47/32/20/945473220.db2.gz QQVQJRRVRNUEIG-OAQYLSRUSA-N 1 0 362.433 3.568 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)N(C)CCC#N ZINC000511876620 945488354 /nfs/dbraw/zinc/48/83/54/945488354.db2.gz SHYXTNHYAXEEKP-XKQJLSEDSA-N 1 0 367.415 3.692 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C(=O)N(C)CCC#N ZINC000511876618 945488358 /nfs/dbraw/zinc/48/83/58/945488358.db2.gz SHYXTNHYAXEEKP-RRQGHBQHSA-N 1 0 367.415 3.692 20 30 FHEDRO C=CCN(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H](C)COC ZINC000664930628 945571510 /nfs/dbraw/zinc/57/15/10/945571510.db2.gz KBPPYTVLIGSEBL-PZJWPPBQSA-N 1 0 373.541 3.521 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000550048150 945632175 /nfs/dbraw/zinc/63/21/75/945632175.db2.gz CHXJNRXWIZGCGT-RDJZCZTQSA-N 1 0 357.523 3.999 20 30 FHEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000519664801 945637443 /nfs/dbraw/zinc/63/74/43/945637443.db2.gz YEILJILAFVPMSF-BFUOFWGJSA-N 1 0 354.841 3.725 20 30 FHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cscc3C#N)c2)CC1 ZINC000550063396 945666130 /nfs/dbraw/zinc/66/61/30/945666130.db2.gz MQLXGXRJWJWFDF-UHFFFAOYSA-N 1 0 353.491 3.782 20 30 FHEDRO C=C(C)[C@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC000661036077 945680436 /nfs/dbraw/zinc/68/04/36/945680436.db2.gz DCZFHVFFVCFHLH-YOEHRIQHSA-N 1 0 351.441 3.754 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCS(=O)(=O)c1ccccc1OC ZINC000661115022 945737612 /nfs/dbraw/zinc/73/76/12/945737612.db2.gz OHGNREWHMRQVRM-IAGOWNOFSA-N 1 0 351.512 3.584 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000661117701 945749849 /nfs/dbraw/zinc/74/98/49/945749849.db2.gz UEPFWCDSLYAWBV-ZBFHGGJFSA-N 1 0 373.888 3.584 20 30 FHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519827945 945790160 /nfs/dbraw/zinc/79/01/60/945790160.db2.gz YVCSBCOKJMXFQZ-GOSISDBHSA-N 1 0 359.489 3.874 20 30 FHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2C1 ZINC000281629738 945792158 /nfs/dbraw/zinc/79/21/58/945792158.db2.gz QJCDAPRBOCJLHR-HXUWFJFHSA-N 1 0 372.472 3.851 20 30 FHEDRO COc1cc(F)c([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)cc1OC ZINC000281638451 945794123 /nfs/dbraw/zinc/79/41/23/945794123.db2.gz BWTCDLZQJVPDQO-CQSZACIVSA-N 1 0 350.434 3.594 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C(C)C)C2CCCC2)cc1 ZINC000111173008 945851738 /nfs/dbraw/zinc/85/17/38/945851738.db2.gz KVHBHKXKKPRRSR-UHFFFAOYSA-N 1 0 357.498 3.985 20 30 FHEDRO C=CC[NH+]1CCC(Nc2cncc(OCc3cccc(Cl)c3)n2)CC1 ZINC000301594864 945866043 /nfs/dbraw/zinc/86/60/43/945866043.db2.gz ZVKKWPMKSOZNCC-UHFFFAOYSA-N 1 0 358.873 3.771 20 30 FHEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000550105928 945873142 /nfs/dbraw/zinc/87/31/42/945873142.db2.gz YBXGLNXNMHRLBS-GUTXKFCHSA-N 1 0 367.287 3.553 20 30 FHEDRO CC(C)C[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc(C#N)cc1 ZINC000519908769 945873678 /nfs/dbraw/zinc/87/36/78/945873678.db2.gz OXPGWBHAHVGSQK-UHFFFAOYSA-N 1 0 361.489 3.601 20 30 FHEDRO CN(C)c1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1F ZINC000125422732 945943561 /nfs/dbraw/zinc/94/35/61/945943561.db2.gz NDZBHKLRKKHFDH-UHFFFAOYSA-N 1 0 368.456 3.638 20 30 FHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000651796835 945950372 /nfs/dbraw/zinc/95/03/72/945950372.db2.gz FRMOFWGUGCDZFL-WFASDCNBSA-N 1 0 361.429 3.943 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]1 ZINC000662796928 946012246 /nfs/dbraw/zinc/01/22/46/946012246.db2.gz DHVPXUCXRUTCHP-BLLLJJGKSA-N 1 0 373.444 3.566 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)CCC[NH2+]1 ZINC000662826747 946075250 /nfs/dbraw/zinc/07/52/50/946075250.db2.gz CHYJMYFKDUBILJ-OAQYLSRUSA-N 1 0 355.457 3.711 20 30 FHEDRO CC[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000441004456 946103452 /nfs/dbraw/zinc/10/34/52/946103452.db2.gz ZXOUSFDPVBPUCW-GRERDSQWSA-N 1 0 368.525 3.622 20 30 FHEDRO N#CC1CCC(CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000441025401 946127144 /nfs/dbraw/zinc/12/71/44/946127144.db2.gz GMRBBMBPUKLEBE-AFMYVXGZSA-N 1 0 360.546 3.660 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1cccc(C#N)c1 ZINC000045789708 946154808 /nfs/dbraw/zinc/15/48/08/946154808.db2.gz ARRBPHGIYVNUSQ-UHFFFAOYSA-N 1 0 364.493 3.740 20 30 FHEDRO C[C@@H](NC(=[NH2+])NCc1ncccc1N(C)C)c1ccc(Cl)cc1Cl ZINC000262415917 946158201 /nfs/dbraw/zinc/15/82/01/946158201.db2.gz YXPKDRVXIYIFOP-LLVKDONJSA-N 1 0 366.296 3.620 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000520129966 946159610 /nfs/dbraw/zinc/15/96/10/946159610.db2.gz JDWOGJPNYMMBLJ-LJQANCHMSA-N 1 0 357.523 3.791 20 30 FHEDRO C[C@@H]1C[N@@H+](CC2CCN(CC#Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000441147512 946271699 /nfs/dbraw/zinc/27/16/99/946271699.db2.gz QMLKNXMFZYQYDD-HDICACEKSA-N 1 0 360.929 3.513 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCC[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000520197359 946272885 /nfs/dbraw/zinc/27/28/85/946272885.db2.gz KJWIZWOYIUOSLF-QGZVFWFLSA-N 1 0 364.449 3.862 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(N3CCC3=O)c2)ccc1OC ZINC000441199537 946300095 /nfs/dbraw/zinc/30/00/95/946300095.db2.gz BHKUIIOYLOGDQK-UHFFFAOYSA-N 1 0 366.461 3.677 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125500544 946309271 /nfs/dbraw/zinc/30/92/71/946309271.db2.gz UIOGOZBASIMHMW-UHFFFAOYSA-N 1 0 355.482 3.701 20 30 FHEDRO CCCc1c(NC(=O)[C@@H]2CCC[N@H+]2CCC)cnn1-c1cccc(C#N)c1 ZINC000440084208 946312543 /nfs/dbraw/zinc/31/25/43/946312543.db2.gz VTGBXGFHDQDABT-FQEVSTJZSA-N 1 0 365.481 3.509 20 30 FHEDRO Cc1oc2ccccc2c1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262428606 946356704 /nfs/dbraw/zinc/35/67/04/946356704.db2.gz SAZBSGQGAKSKHX-UHFFFAOYSA-N 1 0 351.406 3.829 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC000896985753 946427017 /nfs/dbraw/zinc/42/70/17/946427017.db2.gz YFXDKQVWNFRSEN-SJLPKXTDSA-N 1 0 373.497 3.714 20 30 FHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508487404 946448475 /nfs/dbraw/zinc/44/84/75/946448475.db2.gz FNRSKHJTTRRUCE-GOSISDBHSA-N 1 0 351.498 3.504 20 30 FHEDRO COc1cc(Br)c(C[NH2+]CC2CCC(C#N)CC2)cc1OC ZINC000441326952 946457236 /nfs/dbraw/zinc/45/72/36/946457236.db2.gz GTPCNDNYXFNYDE-UHFFFAOYSA-N 1 0 367.287 3.886 20 30 FHEDRO COc1ccc(Cn2nc(C)c(C[NH2+]CC3CCC(C#N)CC3)c2C)cc1 ZINC000441355035 946474584 /nfs/dbraw/zinc/47/45/84/946474584.db2.gz JOVJIGJDTXBTCR-UHFFFAOYSA-N 1 0 366.509 3.976 20 30 FHEDRO FC1(F)[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897056801 946543204 /nfs/dbraw/zinc/54/32/04/946543204.db2.gz WMHRPVGUGWWKOQ-IVZWLZJFSA-N 1 0 365.264 3.782 20 30 FHEDRO N#Cc1ccc(CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000520425426 946577957 /nfs/dbraw/zinc/57/79/57/946577957.db2.gz WAJYESUVPVTDRM-OAQYLSRUSA-N 1 0 359.473 3.571 20 30 FHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444327381 946582941 /nfs/dbraw/zinc/58/29/41/946582941.db2.gz QHBLFDMLIQPVLP-QGZVFWFLSA-N 1 0 366.509 3.747 20 30 FHEDRO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000024687115 946600260 /nfs/dbraw/zinc/60/02/60/946600260.db2.gz FUNDRGKXSRLYMG-INIZCTEOSA-N 1 0 374.406 3.866 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)[NH+]2CCCC2)o1 ZINC000475527481 946600817 /nfs/dbraw/zinc/60/08/17/946600817.db2.gz NYVVSMQNWCSFTC-VQTJNVASSA-N 1 0 365.477 3.929 20 30 FHEDRO CC[NH+]1CCC(n2nccc2NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000475534729 946614249 /nfs/dbraw/zinc/61/42/49/946614249.db2.gz WLFKJEINUGNVGR-GOSISDBHSA-N 1 0 365.481 3.566 20 30 FHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000475558275 946646826 /nfs/dbraw/zinc/64/68/26/946646826.db2.gz IPEGHKOBHJXDRA-IBGZPJMESA-N 1 0 373.541 3.753 20 30 FHEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000121393580 946656115 /nfs/dbraw/zinc/65/61/15/946656115.db2.gz XGOIYIIXTWSJHK-CRAIPNDOSA-N 1 0 351.425 3.904 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@H](Nc2ccccc2)C(C)C)cc1OC ZINC000303792776 946691997 /nfs/dbraw/zinc/69/19/97/946691997.db2.gz YSKINRQVBMMKEH-KRWDZBQOSA-N 1 0 356.470 3.567 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000303888525 946724791 /nfs/dbraw/zinc/72/47/91/946724791.db2.gz LMMHLKWLYSJDKK-UHFFFAOYSA-N 1 0 366.396 3.948 20 30 FHEDRO COc1cccc(NC(=[NH2+])NC[C@@H](C)CSc2ccccc2OC)c1 ZINC000303984780 946753210 /nfs/dbraw/zinc/75/32/10/946753210.db2.gz SKMDDAQGCJFWMV-CQSZACIVSA-N 1 0 359.495 3.859 20 30 FHEDRO CCOCCCNC(=[NH2+])NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000303989632 946753733 /nfs/dbraw/zinc/75/37/33/946753733.db2.gz XSRAYQLZBAKEKU-UHFFFAOYSA-N 1 0 367.493 3.510 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N2CCC(OCc3ccccc3)CC2)CCCC1 ZINC000661852379 946759650 /nfs/dbraw/zinc/75/96/50/946759650.db2.gz SWNAWPBRUOWSQR-UHFFFAOYSA-N 1 0 356.510 3.673 20 30 FHEDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H](O)COc1ccccc1C#N ZINC001168074466 946766966 /nfs/dbraw/zinc/76/69/66/946766966.db2.gz UZQYTSGSRVEDDY-LEWJYISDSA-N 1 0 352.478 3.641 20 30 FHEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000123187512 946779072 /nfs/dbraw/zinc/77/90/72/946779072.db2.gz STHABKHCSHLLJL-LBPRGKRZSA-N 1 0 354.281 3.987 20 30 FHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000121456018 946780886 /nfs/dbraw/zinc/78/08/86/946780886.db2.gz UJRIXAFQGXAXFV-RVKKMQEKSA-N 1 0 351.425 3.902 20 30 FHEDRO C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)Oc1ccccc1F ZINC000304777066 946795167 /nfs/dbraw/zinc/79/51/67/946795167.db2.gz DKCBICQTLDPIKJ-LLVKDONJSA-N 1 0 371.334 3.918 20 30 FHEDRO [NH2+]=C(NC[C@H]1SCCc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000262547901 946872206 /nfs/dbraw/zinc/87/22/06/946872206.db2.gz WIPBHVBABWBSED-LJQANCHMSA-N 1 0 369.490 3.605 20 30 FHEDRO [NH2+]=C(NC[C@@H]1SCCc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000262547900 946872720 /nfs/dbraw/zinc/87/27/20/946872720.db2.gz WIPBHVBABWBSED-IBGZPJMESA-N 1 0 369.490 3.605 20 30 FHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000441421918 946878359 /nfs/dbraw/zinc/87/83/59/946878359.db2.gz PDSGFIJSNVSVIO-CQSZACIVSA-N 1 0 357.479 3.520 20 30 FHEDRO Cc1nc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1C#N ZINC000028834174 946893221 /nfs/dbraw/zinc/89/32/21/946893221.db2.gz ATCKUTPYHGWTEE-GOSISDBHSA-N 1 0 368.506 3.526 20 30 FHEDRO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000475324648 946900337 /nfs/dbraw/zinc/90/03/37/946900337.db2.gz GYGMMZVJBZYLOL-UHFFFAOYSA-N 1 0 353.510 3.826 20 30 FHEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000310641275 946908012 /nfs/dbraw/zinc/90/80/12/946908012.db2.gz CJBLJNDGMRSPJB-KZNAEPCWSA-N 1 0 352.519 3.737 20 30 FHEDRO C[C@H](NC(=[NH2+])NC[C@@](C)(O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000262551306 946915231 /nfs/dbraw/zinc/91/52/31/946915231.db2.gz YJRQNGFWCISNNT-MGPLVRAMSA-N 1 0 372.321 3.928 20 30 FHEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000113322423 946927488 /nfs/dbraw/zinc/92/74/88/946927488.db2.gz ALPAJBHCODRHSJ-OAHLLOKOSA-N 1 0 355.434 3.575 20 30 FHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000328648995 946965733 /nfs/dbraw/zinc/96/57/33/946965733.db2.gz AMXAOTLLQLRFJR-RHSMWYFYSA-N 1 0 363.477 3.663 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000328652433 946966631 /nfs/dbraw/zinc/96/66/31/946966631.db2.gz KMDZTLFHZWQUKP-HZPDHXFCSA-N 1 0 351.878 3.889 20 30 FHEDRO CCC(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000328654188 946966799 /nfs/dbraw/zinc/96/67/99/946966799.db2.gz CNMFNIGHDINBDZ-SFHVURJKSA-N 1 0 363.546 3.638 20 30 FHEDRO C[NH+]1CCC(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000609516858 946976517 /nfs/dbraw/zinc/97/65/17/946976517.db2.gz BVTCMMLKGMFBMJ-UHFFFAOYSA-N 1 0 363.461 3.617 20 30 FHEDRO C=CCn1c(CC(C)C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508475243 946984000 /nfs/dbraw/zinc/98/40/00/946984000.db2.gz YBSHMJHYOKBODB-RBUKOAKNSA-N 1 0 359.562 3.753 20 30 FHEDRO O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000328692556 946990996 /nfs/dbraw/zinc/99/09/96/946990996.db2.gz JEAGQWPRIVMCIZ-GOSISDBHSA-N 1 0 366.469 3.670 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000475382927 946994055 /nfs/dbraw/zinc/99/40/55/946994055.db2.gz XIMDUZQJUVETJL-FUHIMQAGSA-N 1 0 353.510 3.965 20 30 FHEDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1 ZINC000328747751 947008009 /nfs/dbraw/zinc/00/80/09/947008009.db2.gz BBHWJLZDCZIHBC-UZLBHIALSA-N 1 0 369.509 3.879 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000328750382 947010195 /nfs/dbraw/zinc/01/01/95/947010195.db2.gz RDPBAQAMMAKGTO-PMXSJFBMSA-N 1 0 370.537 3.936 20 30 FHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328766636 947017890 /nfs/dbraw/zinc/01/78/90/947017890.db2.gz AWKPEHQWOPWJRQ-LJQANCHMSA-N 1 0 373.541 3.750 20 30 FHEDRO C[C@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1CCOCC1 ZINC000328768167 947019832 /nfs/dbraw/zinc/01/98/32/947019832.db2.gz HWPOAAKJIXRCNT-KRWDZBQOSA-N 1 0 366.546 3.819 20 30 FHEDRO COc1c(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)oc2ccccc21 ZINC000262483492 947026679 /nfs/dbraw/zinc/02/66/79/947026679.db2.gz IHIQLYMQYNVWKQ-UHFFFAOYSA-N 1 0 367.405 3.530 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2cnc([C@@H]3CCCO3)s2)CCCCCC1 ZINC000328823402 947040222 /nfs/dbraw/zinc/04/02/22/947040222.db2.gz GNWLBZKPPMABQC-AWEZNQCLSA-N 1 0 351.516 3.954 20 30 FHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc(OC4CCCC4)nc3)C2)CC1 ZINC000328778503 947043617 /nfs/dbraw/zinc/04/36/17/947043617.db2.gz DNCYUEUGCNASFY-KRWDZBQOSA-N 1 0 372.513 3.612 20 30 FHEDRO O=C(N[C@H]1CCCC12CCOCC2)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000328833863 947056830 /nfs/dbraw/zinc/05/68/30/947056830.db2.gz RWUVFIYUUIBNKU-UXHICEINSA-N 1 0 371.525 3.504 20 30 FHEDRO C=CC[C@@H]1N(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCCC1(C)C ZINC000444633921 947063743 /nfs/dbraw/zinc/06/37/43/947063743.db2.gz FRHHHWHGAAIUAU-NRFANRHFSA-N 1 0 369.553 3.641 20 30 FHEDRO N#CC(CC[N@H+]1CCSC[C@H]1CCO)(c1ccccc1)c1ccccc1 ZINC000444643724 947086121 /nfs/dbraw/zinc/08/61/21/947086121.db2.gz CRZBPXATKKCMLL-OAQYLSRUSA-N 1 0 366.530 3.686 20 30 FHEDRO Cc1nc(COc2ccccc2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cs1 ZINC000328923167 947110249 /nfs/dbraw/zinc/11/02/49/947110249.db2.gz MYVHHNNFTDOBEH-MSOLQXFVSA-N 1 0 371.506 3.962 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000614808573 947127136 /nfs/dbraw/zinc/12/71/36/947127136.db2.gz NKOWBRJODSXFJT-XHSDSOJGSA-N 1 0 364.449 3.945 20 30 FHEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1Oc1ccccc1C#N ZINC000181829794 947131804 /nfs/dbraw/zinc/13/18/04/947131804.db2.gz FOMMIBPTPPCHRN-SJLPKXTDSA-N 1 0 361.445 3.659 20 30 FHEDRO CC(=O)Nc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000330409388 947169685 /nfs/dbraw/zinc/16/96/85/947169685.db2.gz QLBGDEXEFFLFLF-IBGZPJMESA-N 1 0 360.502 3.727 20 30 FHEDRO COc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c(Br)c1 ZINC000330464627 947176915 /nfs/dbraw/zinc/17/69/15/947176915.db2.gz PJTMGPFPINQWDQ-GFCCVEGCSA-N 1 0 370.291 3.658 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC000330518331 947188872 /nfs/dbraw/zinc/18/88/72/947188872.db2.gz OPBLIKIBGYMTJE-CEXWTWQISA-N 1 0 361.530 3.695 20 30 FHEDRO CC[NH+](CC)CC1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000508508337 947196147 /nfs/dbraw/zinc/19/61/47/947196147.db2.gz XOYRPOCGBIZBIS-UHFFFAOYSA-N 1 0 359.489 3.555 20 30 FHEDRO CCN(C)C(=O)c1cccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000330612241 947216657 /nfs/dbraw/zinc/21/66/57/947216657.db2.gz WYTVIRJTLRDAJR-IAGOWNOFSA-N 1 0 373.541 3.840 20 30 FHEDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(C)nn2CCC#N)cc1)C(C)C ZINC000523410009 947219223 /nfs/dbraw/zinc/21/92/23/947219223.db2.gz NGFWPNQVEDLLRR-UHFFFAOYSA-N 1 0 353.470 3.588 20 30 FHEDRO CC(C)NC(=O)Nc1cccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000330682214 947234289 /nfs/dbraw/zinc/23/42/89/947234289.db2.gz HKGPNDOQIKIAQS-MRXNPFEDSA-N 1 0 360.502 3.846 20 30 FHEDRO CC(C)Oc1c(F)cc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1F ZINC000330799202 947277143 /nfs/dbraw/zinc/27/71/43/947277143.db2.gz CUNMJUPOHPQSEC-UHFFFAOYSA-N 1 0 355.429 3.951 20 30 FHEDRO COc1ccc(Br)c(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000330783493 947284714 /nfs/dbraw/zinc/28/47/14/947284714.db2.gz QPNHUWSKNDKTOE-GFCCVEGCSA-N 1 0 370.291 3.658 20 30 FHEDRO COC(=O)c1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c(C)cc1C ZINC000330999737 947330826 /nfs/dbraw/zinc/33/08/26/947330826.db2.gz WHXNMVRAZGZUPM-UHFFFAOYSA-N 1 0 361.486 3.536 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC[N@@H+](C)C(C)C ZINC000523527106 947354064 /nfs/dbraw/zinc/35/40/64/947354064.db2.gz OLPZZXLBUKKIES-UHFFFAOYSA-N 1 0 358.404 3.730 20 30 FHEDRO CC(C)c1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(C(C)C)c1 ZINC000331156012 947359916 /nfs/dbraw/zinc/35/99/16/947359916.db2.gz DHKPAQNASPDLOA-DLBZAZTESA-N 1 0 361.530 3.866 20 30 FHEDRO CC(C)C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1cccs1 ZINC000331228766 947364613 /nfs/dbraw/zinc/36/46/13/947364613.db2.gz OTBALDSJDZWDNB-CVEARBPZSA-N 1 0 367.559 3.526 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C ZINC000331276415 947375095 /nfs/dbraw/zinc/37/50/95/947375095.db2.gz IYHMROZFEBUSAE-DOTOQJQBSA-N 1 0 358.486 3.696 20 30 FHEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)cc1 ZINC000181835573 947376129 /nfs/dbraw/zinc/37/61/29/947376129.db2.gz VXBABMSBNDWWRM-SCLBCKFNSA-N 1 0 355.438 3.845 20 30 FHEDRO CCC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000331307300 947393616 /nfs/dbraw/zinc/39/36/16/947393616.db2.gz FGIOCAXZZDROMO-QZTJIDSGSA-N 1 0 359.514 3.951 20 30 FHEDRO C[C@@H]1[C@H](Nc2c(C#N)cnc3c(Br)cccc32)CCC[N@@H+]1C ZINC000440645197 947503578 /nfs/dbraw/zinc/50/35/78/947503578.db2.gz CUBXCDOZQPGZFY-IAQYHMDHSA-N 1 0 359.271 3.764 20 30 FHEDRO CC[NH+](CC)[C@H](C(=O)NCCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000523679677 947507778 /nfs/dbraw/zinc/50/77/78/947507778.db2.gz IMFNPGAXZHIRSK-INIZCTEOSA-N 1 0 355.404 3.898 20 30 FHEDRO C[NH+](C)[C@@H]1CCCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440662026 947525269 /nfs/dbraw/zinc/52/52/69/947525269.db2.gz GQEFZXVKUUQIHE-CQSZACIVSA-N 1 0 373.298 3.789 20 30 FHEDRO CC[NH+]=C(NCc1c(C)noc1C)NCc1ccc(Cl)cc1Cl ZINC000073422436 947686660 /nfs/dbraw/zinc/68/66/60/947686660.db2.gz SDCWZFRBAJOPET-UHFFFAOYSA-N 1 0 355.269 3.854 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cc(C#N)ccc1F ZINC000248395466 947698307 /nfs/dbraw/zinc/69/83/07/947698307.db2.gz JFRMCKQROVMIIV-YPGOJHLTSA-N 1 0 351.469 3.944 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000500440424 947705118 /nfs/dbraw/zinc/70/51/18/947705118.db2.gz KAUCZOGZDCHBAQ-OALUTQOASA-N 1 0 373.500 3.711 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1CCCCCC1 ZINC000520467463 947724331 /nfs/dbraw/zinc/72/43/31/947724331.db2.gz SICWZGMOGAGVOT-INIZCTEOSA-N 1 0 364.449 3.949 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c(Br)c1 ZINC000128749996 947730570 /nfs/dbraw/zinc/73/05/70/947730570.db2.gz GIBCQGFCGVTUGK-IAGOWNOFSA-N 1 0 359.271 3.791 20 30 FHEDRO Cc1ccc(-c2ncccc2NC(=O)N(CCC#N)CCC[NH+](C)C)s1 ZINC000189468321 947739177 /nfs/dbraw/zinc/73/91/77/947739177.db2.gz ZDWDUHPCEKJTBE-UHFFFAOYSA-N 1 0 371.510 3.818 20 30 FHEDRO C=CC(C)(C)CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000458992894 947747133 /nfs/dbraw/zinc/74/71/33/947747133.db2.gz WXAOUNQGFGLEGI-UHFFFAOYSA-N 1 0 355.526 3.896 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)CCC[NH2+]1 ZINC000662459656 947831249 /nfs/dbraw/zinc/83/12/49/947831249.db2.gz LJOMWMLVUMQGKJ-FQEVSTJZSA-N 1 0 368.506 3.881 20 30 FHEDRO C=CC[C@@]1(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CCC[NH2+]1 ZINC000662460878 947832024 /nfs/dbraw/zinc/83/20/24/947832024.db2.gz NTRUBRBNPOBMDC-FQEVSTJZSA-N 1 0 367.474 3.871 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)CCC[NH2+]1 ZINC000662485028 947855249 /nfs/dbraw/zinc/85/52/49/947855249.db2.gz OVZRQTJJYZKOLY-ZHRRBRCNSA-N 1 0 372.509 3.892 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(OCCCC)c(OC)c2)CCC[NH2+]1 ZINC000662508443 947876957 /nfs/dbraw/zinc/87/69/57/947876957.db2.gz BSFOPFMGXVYUGL-KKSFZXQISA-N 1 0 360.498 3.750 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CCC[NH2+]1 ZINC000662521961 947891559 /nfs/dbraw/zinc/89/15/59/947891559.db2.gz PEEUHFWIXHSZAA-LJQANCHMSA-N 1 0 373.840 3.822 20 30 FHEDRO C[NH2+]CCCN(C)C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662577672 947911415 /nfs/dbraw/zinc/91/14/15/947911415.db2.gz YJYSSMQPRZVXER-UHFFFAOYSA-N 1 0 374.300 3.658 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CCC[NH2+]1 ZINC000662644014 947956754 /nfs/dbraw/zinc/95/67/54/947956754.db2.gz TZDLPUYXYRKMQW-OAQYLSRUSA-N 1 0 355.482 3.842 20 30 FHEDRO C=CC[C@]1(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)CCC[NH2+]1 ZINC000662645580 947957787 /nfs/dbraw/zinc/95/77/87/947957787.db2.gz KUHFOVWSDDDBLH-LJQANCHMSA-N 1 0 359.857 3.618 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)CCC[NH2+]1 ZINC000662683800 947983018 /nfs/dbraw/zinc/98/30/18/947983018.db2.gz QPBUMIIGUOJBTA-VGOFRKELSA-N 1 0 365.477 3.536 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)CCC[NH2+]1 ZINC000662690648 947987265 /nfs/dbraw/zinc/98/72/65/947987265.db2.gz DGYHKDSCSPKWBP-NRFANRHFSA-N 1 0 350.466 3.523 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)C2CCCC2)c1C#N ZINC000184659825 948086914 /nfs/dbraw/zinc/08/69/14/948086914.db2.gz GTRIQGDOQNXDQT-HNNXBMFYSA-N 1 0 368.481 3.725 20 30 FHEDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(CC#N)cc2)c(C(F)(F)F)c1 ZINC000895076452 948148673 /nfs/dbraw/zinc/14/86/73/948148673.db2.gz PYSOFDJICWPTQG-UHFFFAOYSA-N 1 0 362.351 3.848 20 30 FHEDRO CC(C)CN(Cc1nc(CC(F)(F)F)no1)Cc1ccc(C#N)cc1 ZINC000441526484 948219502 /nfs/dbraw/zinc/21/95/02/948219502.db2.gz SJRRZXHPAIQOOM-UHFFFAOYSA-N 1 0 352.360 3.704 20 30 FHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@@H]1c1ccccc1 ZINC000585717083 948232254 /nfs/dbraw/zinc/23/22/54/948232254.db2.gz MZJLKFFUKREOQO-MOPGFXCFSA-N 1 0 370.294 3.856 20 30 FHEDRO C=CCN(C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@@H](C)COC ZINC000663582007 948249206 /nfs/dbraw/zinc/24/92/06/948249206.db2.gz XRJVORBTBHMMRR-IBGZPJMESA-N 1 0 373.541 3.651 20 30 FHEDRO C=C(C)Cn1c(-c2ccncc2)nn(CN2C[C@@H]3CCC[C@@H]3C2)c1=S ZINC000163043514 948269489 /nfs/dbraw/zinc/26/94/89/948269489.db2.gz RJGUEXRHWQWGKJ-CALCHBBNSA-N 1 0 355.511 3.742 20 30 FHEDRO N#CCN1CCC([NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000585764903 948274814 /nfs/dbraw/zinc/27/48/14/948274814.db2.gz ZDEHBEUUEMVFFN-ROUUACIJSA-N 1 0 351.416 3.919 20 30 FHEDRO COc1ccc([C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C(C)C)cc1 ZINC000585794439 948300802 /nfs/dbraw/zinc/30/08/02/948300802.db2.gz WAXWOYMFGJRODP-JOCHJYFZSA-N 1 0 364.493 3.918 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)nc1 ZINC000585794055 948301653 /nfs/dbraw/zinc/30/16/53/948301653.db2.gz AARKNTZPERVZKN-IFMALSPDSA-N 1 0 360.505 3.923 20 30 FHEDRO CC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H](C)Cc1ccsc1 ZINC000614603441 948349369 /nfs/dbraw/zinc/34/93/69/948349369.db2.gz UZOGIPGEFDMCAM-APWZRJJASA-N 1 0 358.507 3.507 20 30 FHEDRO C#CCOc1ccccc1CNc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182055834 948436744 /nfs/dbraw/zinc/43/67/44/948436744.db2.gz JYVOAIQNYFRHPP-UHFFFAOYSA-N 1 0 363.505 3.841 20 30 FHEDRO CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107386187 948493695 /nfs/dbraw/zinc/49/36/95/948493695.db2.gz NTTGXUQUYXTNHJ-UHFFFAOYSA-N 1 0 366.465 3.553 20 30 FHEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000178542817 948558485 /nfs/dbraw/zinc/55/84/85/948558485.db2.gz WRAZNKSRMWSROJ-KRWDZBQOSA-N 1 0 357.498 3.929 20 30 FHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CSC[C@H]2C)c1C#N ZINC000512164629 948595351 /nfs/dbraw/zinc/59/53/51/948595351.db2.gz OMCCBTXKIJRNBW-ACJLOTCBSA-N 1 0 374.554 3.761 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCCC[C@H]2C)c1C#N ZINC000512172046 948637754 /nfs/dbraw/zinc/63/77/54/948637754.db2.gz UUQCWBQEJVUBOJ-OAHLLOKOSA-N 1 0 368.481 3.821 20 30 FHEDRO CN(CCC#N)c1ccc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895111138 948662615 /nfs/dbraw/zinc/66/26/15/948662615.db2.gz NKEAKTKCAIGUIU-XUTJKUGGSA-N 1 0 363.509 3.708 20 30 FHEDRO C=C(C)Cn1c(CCCC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549634495 948678386 /nfs/dbraw/zinc/67/83/86/948678386.db2.gz ONYRUSVFEXAJHU-PKOBYXMFSA-N 1 0 357.546 3.650 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000549639635 948779041 /nfs/dbraw/zinc/77/90/41/948779041.db2.gz PBVCVPDPNZMCHX-GOSISDBHSA-N 1 0 357.546 3.680 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000109103823 209297708 /nfs/dbraw/zinc/29/77/08/209297708.db2.gz ROWLHLVIIHUBNE-QHCPKHFHSA-N 1 0 370.456 3.794 20 30 FHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000601743948 567833617 /nfs/dbraw/zinc/83/36/17/567833617.db2.gz FDFDIBFZUQMIEN-HXUWFJFHSA-N 1 0 353.510 3.941 20 30 FHEDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c1C ZINC000568082073 567862149 /nfs/dbraw/zinc/86/21/49/567862149.db2.gz QTDIZHDOANRCAQ-HXUWFJFHSA-N 1 0 350.462 3.502 20 30 FHEDRO N#CCCSc1ccccc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963048 567888078 /nfs/dbraw/zinc/88/80/78/567888078.db2.gz BSJJKINQMZISCZ-NRFANRHFSA-N 1 0 367.518 3.741 20 30 FHEDRO C[NH+](C)CC1(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000602073771 567916642 /nfs/dbraw/zinc/91/66/42/567916642.db2.gz SIFOVYNBYJOPSU-UHFFFAOYSA-N 1 0 363.461 3.612 20 30 FHEDRO CC(C)(C#N)CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602175818 567941740 /nfs/dbraw/zinc/94/17/40/567941740.db2.gz AMRSIIGPDZMBHN-UHFFFAOYSA-N 1 0 353.510 3.831 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000602498581 567983714 /nfs/dbraw/zinc/98/37/14/567983714.db2.gz OATSAZCMRUJMGH-QYZOEREBSA-N 1 0 371.525 3.807 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000602490387 567986106 /nfs/dbraw/zinc/98/61/06/567986106.db2.gz IESZPMJXKNYSSO-QGZVFWFLSA-N 1 0 359.539 3.746 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000602492189 567986329 /nfs/dbraw/zinc/98/63/29/567986329.db2.gz UTJMJIIYQUYPQW-KRWDZBQOSA-N 1 0 359.539 3.746 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000602515210 567986565 /nfs/dbraw/zinc/98/65/65/567986565.db2.gz OOZDYOCMUXOOHR-PBHICJAKSA-N 1 0 367.415 3.898 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(F)ccc1Br ZINC000602517861 567986798 /nfs/dbraw/zinc/98/67/98/567986798.db2.gz JXBXEDBFZZOMQO-GFCCVEGCSA-N 1 0 355.251 3.777 20 30 FHEDRO COc1cccc(OC)c1Oc1ccc(C[NH2+]C[C@@H](C)CCC#N)cn1 ZINC000602518373 567986845 /nfs/dbraw/zinc/98/68/45/567986845.db2.gz QNWVMQFNYHJEJQ-HNNXBMFYSA-N 1 0 355.438 3.921 20 30 FHEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602521660 567987347 /nfs/dbraw/zinc/98/73/47/567987347.db2.gz PMBFGXJYBCBZMT-SFHVURJKSA-N 1 0 366.509 3.802 20 30 FHEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602504108 567988513 /nfs/dbraw/zinc/98/85/13/567988513.db2.gz SFADUSHGKQKLQJ-INIZCTEOSA-N 1 0 352.482 3.678 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000602544111 567989947 /nfs/dbraw/zinc/98/99/47/567989947.db2.gz HOJZFDBWHOIDGM-INIZCTEOSA-N 1 0 370.522 3.826 20 30 FHEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C1CCC(C#N)CC1 ZINC000602546412 567990213 /nfs/dbraw/zinc/99/02/13/567990213.db2.gz RUHABNNOVFXVSK-UHFFFAOYSA-N 1 0 364.287 3.758 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602585793 567994306 /nfs/dbraw/zinc/99/43/06/567994306.db2.gz UQBYESPWFZIKPP-HUUCEWRRSA-N 1 0 357.351 3.529 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602585791 567994329 /nfs/dbraw/zinc/99/43/29/567994329.db2.gz UQBYESPWFZIKPP-CABCVRRESA-N 1 0 357.351 3.529 20 30 FHEDRO CC[C@H](CC#N)[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000602613206 567997769 /nfs/dbraw/zinc/99/77/69/567997769.db2.gz UBQTVHCQNAVMRM-IXDOHACOSA-N 1 0 350.304 3.866 20 30 FHEDRO COc1ccccc1-c1nc(C2CC[NH+](C[C@H](C)CCC#N)CC2)no1 ZINC000602635014 568001843 /nfs/dbraw/zinc/00/18/43/568001843.db2.gz RLPPFOFLDZSARO-OAHLLOKOSA-N 1 0 354.454 3.864 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(F)c(F)cc1Br ZINC000602657494 568006557 /nfs/dbraw/zinc/00/65/57/568006557.db2.gz YHKYCCLFBSMXAR-LLVKDONJSA-N 1 0 373.241 3.916 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000602677318 568009210 /nfs/dbraw/zinc/00/92/10/568009210.db2.gz XKONFLPOUJSKRD-IBGZPJMESA-N 1 0 355.526 3.730 20 30 FHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)C[C@H](C)CCC#N)CC2)c1C ZINC000602666526 568013762 /nfs/dbraw/zinc/01/37/62/568013762.db2.gz KKMTWXYTTCTZGY-MRXNPFEDSA-N 1 0 358.530 3.543 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000602718336 568014840 /nfs/dbraw/zinc/01/48/40/568014840.db2.gz VVSADPJBYAQPAX-NQIIRXRSSA-N 1 0 372.509 3.571 20 30 FHEDRO C[C@H](OC[C@H](O)C[NH2+]CC#Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000521427685 568018654 /nfs/dbraw/zinc/01/86/54/568018654.db2.gz ONBRWXLZGSMMEX-MGPUTAFESA-N 1 0 361.844 3.559 20 30 FHEDRO COC(=O)c1ccc2c(c1)[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)CCC2 ZINC000602710913 568019106 /nfs/dbraw/zinc/01/91/06/568019106.db2.gz ZZSDORJFPGHSFF-VQIMIIECSA-N 1 0 370.493 3.582 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000602726682 568024034 /nfs/dbraw/zinc/02/40/34/568024034.db2.gz XYLPPVBTOJOZNH-GOEBONIOSA-N 1 0 365.880 3.746 20 30 FHEDRO COc1ccc(CN2CCC(C)([NH+]3CCCC3)CC2)cc1OCCCC#N ZINC000602734220 568025771 /nfs/dbraw/zinc/02/57/71/568025771.db2.gz OHJCGBRWFGWKSZ-UHFFFAOYSA-N 1 0 371.525 3.828 20 30 FHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000568424717 568034409 /nfs/dbraw/zinc/03/44/09/568034409.db2.gz NIRGIIRAUXZVLH-UHFFFAOYSA-N 1 0 367.880 3.948 20 30 FHEDRO CC(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000181868285 568036896 /nfs/dbraw/zinc/03/68/96/568036896.db2.gz LOBZWDIQXCTBDX-HSZRJFAPSA-N 1 0 362.521 3.947 20 30 FHEDRO CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568636746 568103292 /nfs/dbraw/zinc/10/32/92/568103292.db2.gz AXZADQHLSGCRME-FQEVSTJZSA-N 1 0 364.449 3.563 20 30 FHEDRO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000603464514 568105367 /nfs/dbraw/zinc/10/53/67/568105367.db2.gz WAXQEXKKMTXJHY-IFMALSPDSA-N 1 0 350.462 3.638 20 30 FHEDRO CC[C@H](CN(CC)CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000481749132 568108503 /nfs/dbraw/zinc/10/85/03/568108503.db2.gz WTMOSTFPVXQAIQ-LJQANCHMSA-N 1 0 370.518 3.848 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000568742919 568146497 /nfs/dbraw/zinc/14/64/97/568146497.db2.gz ZVPQMNIDZDUAKC-TZIWHRDSSA-N 1 0 368.502 3.505 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 ZINC000481835350 568147805 /nfs/dbraw/zinc/14/78/05/568147805.db2.gz DHDPVOFDIVOVKL-GOSISDBHSA-N 1 0 361.489 3.665 20 30 FHEDRO CCC1CCC([N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)CC1 ZINC000603856069 568168214 /nfs/dbraw/zinc/16/82/14/568168214.db2.gz BXUISKLJKHNRRG-CNBHCMJISA-N 1 0 356.510 3.926 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000481926765 568189066 /nfs/dbraw/zinc/18/90/66/568189066.db2.gz YNHHWUCKTKJVQB-NRFANRHFSA-N 1 0 368.502 3.779 20 30 FHEDRO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000541915172 568233952 /nfs/dbraw/zinc/23/39/52/568233952.db2.gz BFWFXYCPPULZGZ-OXQOHEQNSA-N 1 0 367.468 3.505 20 30 FHEDRO Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)n2c3ccccc3nc2c1C#N ZINC000302971773 568248846 /nfs/dbraw/zinc/24/88/46/568248846.db2.gz OEXSXGNLFQFMIB-UHFFFAOYSA-N 1 0 373.504 3.980 20 30 FHEDRO Cc1sc(NC(=O)CN2CC[C@H](C(F)(F)F)C2(C)C)c(C#N)c1C ZINC000330959761 568277338 /nfs/dbraw/zinc/27/73/38/568277338.db2.gz IXTDPALHMUZZSV-LBPRGKRZSA-N 1 0 359.417 3.838 20 30 FHEDRO C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCCc2ccccc21 ZINC000604468340 568297513 /nfs/dbraw/zinc/29/75/13/568297513.db2.gz MIZIVORAOAPHAH-KNQAVFIVSA-N 1 0 350.462 3.502 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1OCCCC#N ZINC000563150150 568304381 /nfs/dbraw/zinc/30/43/81/568304381.db2.gz MOADQLNKKVUNED-RBUKOAKNSA-N 1 0 358.482 3.769 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000569180316 568304995 /nfs/dbraw/zinc/30/49/95/568304995.db2.gz QBPIIAXNRWKHSJ-NRFANRHFSA-N 1 0 358.445 3.781 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CC2CCCCC2)cc1 ZINC000604508641 568305736 /nfs/dbraw/zinc/30/57/36/568305736.db2.gz CMUIOKUEKXVKJA-NHCUHLMSSA-N 1 0 356.510 3.927 20 30 FHEDRO CO[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000181998499 568372726 /nfs/dbraw/zinc/37/27/26/568372726.db2.gz YKHHKWHYKHMHCZ-JOCHJYFZSA-N 1 0 367.468 3.639 20 30 FHEDRO CO[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000181998483 568372749 /nfs/dbraw/zinc/37/27/49/568372749.db2.gz YKHHKWHYKHMHCZ-QFIPXVFZSA-N 1 0 367.468 3.639 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCc2ccc(F)cc2)C2CC2)CC1 ZINC000604919440 568389982 /nfs/dbraw/zinc/38/99/82/568389982.db2.gz ZJVQPRJNROSEHY-UHFFFAOYSA-N 1 0 359.489 3.583 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(NCc3nc(C4CC4)cs3)CC2)cc1 ZINC000182023368 568469354 /nfs/dbraw/zinc/46/93/54/568469354.db2.gz ZNWQMIONTHXAKY-UHFFFAOYSA-N 1 0 352.507 3.646 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](n4cccn4)C3)c2)c1 ZINC000570375963 568481674 /nfs/dbraw/zinc/48/16/74/568481674.db2.gz OVNNDZDTBKZVEN-NRFANRHFSA-N 1 0 358.445 3.781 20 30 FHEDRO CN(C(=O)c1ccc(C#N)c(Cl)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000570492633 568488293 /nfs/dbraw/zinc/48/82/93/568488293.db2.gz LOGLJPHOGZHHLU-UHFFFAOYSA-N 1 0 373.806 3.700 20 30 FHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)cc1OC ZINC000050068719 568684637 /nfs/dbraw/zinc/68/46/37/568684637.db2.gz SGJUPABRVBZCKO-GOSISDBHSA-N 1 0 352.434 3.791 20 30 FHEDRO C=CC[N@H+](CCSc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418627 599267933 /nfs/dbraw/zinc/26/79/33/599267933.db2.gz GCSXMGFXTUOWJM-UHFFFAOYSA-N 1 0 351.479 3.647 20 30 FHEDRO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824764057 608463265 /nfs/dbraw/zinc/46/32/65/608463265.db2.gz RZYFYPMLVMCSKG-OAHLLOKOSA-N 1 0 356.433 3.589 20 30 FHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CC[C@H]43)cnc2Cl)cc1 ZINC001164410839 718877703 /nfs/dbraw/zinc/87/77/03/718877703.db2.gz IDRFBSJLJJDIIN-IAGOWNOFSA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1cc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)cnc1Cl ZINC001164416258 718892257 /nfs/dbraw/zinc/89/22/57/718892257.db2.gz CMRUXKVTZWPNFN-OAHLLOKOSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)cnc1Cl ZINC001164416257 718892310 /nfs/dbraw/zinc/89/23/10/718892310.db2.gz CMRUXKVTZWPNFN-HNNXBMFYSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164416250 718892572 /nfs/dbraw/zinc/89/25/72/718892572.db2.gz CJQLQHJVNBCYFJ-OAHLLOKOSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1ccc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164625060 719064498 /nfs/dbraw/zinc/06/44/98/719064498.db2.gz MPUQMJSJHQKYKQ-DENIHFKCSA-N 1 0 369.472 3.602 20 30 FHEDRO N#Cc1c[nH]c2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc12 ZINC001164619955 719082724 /nfs/dbraw/zinc/08/27/24/719082724.db2.gz DIJNGPVCCZESGH-YLJYHZDGSA-N 1 0 357.461 3.535 20 30 FHEDRO N#Cc1c2c(cnc1N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC001164628578 719112683 /nfs/dbraw/zinc/11/26/83/719112683.db2.gz NOMIRIUMYGQICH-OFNKIYASSA-N 1 0 372.516 3.933 20 30 FHEDRO C[NH+](C)[C@@H]1CCCN(c2nc3cc(F)c(F)cc3c(Cl)c2C#N)C1 ZINC001165037099 721899801 /nfs/dbraw/zinc/89/98/01/721899801.db2.gz KCHFRMDIWXKZOY-SNVBAGLBSA-N 1 0 350.800 3.568 20 30 FHEDRO N#Cc1cc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164991095 722190653 /nfs/dbraw/zinc/19/06/53/722190653.db2.gz YPQGXBDSKMVLBR-FQEVSTJZSA-N 1 0 370.859 3.991 20 30 FHEDRO Cc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ccc1C#N ZINC001164995691 722204674 /nfs/dbraw/zinc/20/46/74/722204674.db2.gz PKGPWDSZBOWMBI-NRFANRHFSA-N 1 0 350.441 3.646 20 30 FHEDRO CC(C)(C)OC(=O)C1(Nc2ccc3nc(C#N)ccc3c2)CCC([NH3+])CC1 ZINC001167643585 936335457 /nfs/dbraw/zinc/33/54/57/936335457.db2.gz IZAGSRVBOQXXHG-UHFFFAOYSA-N 1 0 366.465 3.500 20 30 FHEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)c1ccccc1 ZINC000052034977 936342660 /nfs/dbraw/zinc/34/26/60/936342660.db2.gz OVSUCPCSSIZSRB-OAQYLSRUSA-N 1 0 365.452 3.779 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(CNc3nc4c(cc3C#N)CCC4)cc2)CC1 ZINC000572908379 936343697 /nfs/dbraw/zinc/34/36/97/936343697.db2.gz BYAXUOBNDUEOOJ-UHFFFAOYSA-N 1 0 362.477 3.527 20 30 FHEDRO C#CCCOc1ccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)cc1 ZINC000237993748 936369624 /nfs/dbraw/zinc/36/96/24/936369624.db2.gz GPJRKYIUOZEWSU-UHFFFAOYSA-N 1 0 362.473 3.548 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000616364118 927295749 /nfs/dbraw/zinc/29/57/49/927295749.db2.gz URQJYEAASWFAQI-IERDGZPVSA-N 1 0 356.416 3.655 20 30 FHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3F)ccc2NC1=O ZINC000178792793 937153091 /nfs/dbraw/zinc/15/30/91/937153091.db2.gz MKJFLOGYNBTTST-XIKOKIGWSA-N 1 0 353.397 3.658 20 30 FHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)nc1 ZINC000430166266 927489534 /nfs/dbraw/zinc/48/95/34/927489534.db2.gz QPHMKGQAWXIZJU-NRFANRHFSA-N 1 0 356.429 3.669 20 30 FHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)nc1 ZINC000430174500 927525655 /nfs/dbraw/zinc/52/56/55/927525655.db2.gz WFPWXLHSFBAEQK-NRFANRHFSA-N 1 0 356.429 3.669 20 30 FHEDRO CCCCOc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430179059 927585493 /nfs/dbraw/zinc/58/54/93/927585493.db2.gz NIOXIODESKEICU-IBGZPJMESA-N 1 0 351.450 3.785 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCC3(CC#N)CC3)cc2)C1 ZINC000430181432 927596018 /nfs/dbraw/zinc/59/60/18/927596018.db2.gz VORDPWQDTOLIQS-HDICACEKSA-N 1 0 368.525 3.658 20 30 FHEDRO N#Cc1cccc(OCCC[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186941794 927596097 /nfs/dbraw/zinc/59/60/97/927596097.db2.gz LHSHINGMNAEZEN-UHFFFAOYSA-N 1 0 368.452 3.536 20 30 FHEDRO CCCCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430180901 927601377 /nfs/dbraw/zinc/60/13/77/927601377.db2.gz SPYCRPUEFOOXIO-HXUWFJFHSA-N 1 0 351.450 3.785 20 30 FHEDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000598465043 927633281 /nfs/dbraw/zinc/63/32/81/927633281.db2.gz BGSMXKDKCWOCKB-UHFFFAOYSA-N 1 0 369.465 3.580 20 30 FHEDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1[N+](=O)[O-] ZINC000430184041 927641209 /nfs/dbraw/zinc/64/12/09/927641209.db2.gz FDBJLSBZOQHHEN-QGZVFWFLSA-N 1 0 366.421 3.638 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000023409637 927721788 /nfs/dbraw/zinc/72/17/88/927721788.db2.gz FXUKEXHQRSRLTH-WFASDCNBSA-N 1 0 365.260 3.956 20 30 FHEDRO CC(C)(C)OC(=O)CCCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000583170178 937201260 /nfs/dbraw/zinc/20/12/60/937201260.db2.gz OQCOUYNZZSUPAF-UHFFFAOYSA-N 1 0 358.482 3.913 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579816902 927915696 /nfs/dbraw/zinc/91/56/96/927915696.db2.gz NNBWFSLGSYETRO-IRLDBZIGSA-N 1 0 374.488 3.509 20 30 FHEDRO N#Cc1csc(CNc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000157516930 927972827 /nfs/dbraw/zinc/97/28/27/927972827.db2.gz RJJHGBCERUFJAN-UHFFFAOYSA-N 1 0 352.507 3.764 20 30 FHEDRO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000083093113 928159152 /nfs/dbraw/zinc/15/91/52/928159152.db2.gz WHWJMFVZDTUZNS-LBPRGKRZSA-N 1 0 351.541 3.510 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)CCC[C@H]2C)cc1 ZINC000610215468 928190973 /nfs/dbraw/zinc/19/09/73/928190973.db2.gz XWOTXYBGJVLPBY-QZTJIDSGSA-N 1 0 357.498 3.842 20 30 FHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000329127506 937235992 /nfs/dbraw/zinc/23/59/92/937235992.db2.gz ZCOARMGIGBRZGX-LJISPDSOSA-N 1 0 359.470 3.727 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1C#N ZINC000157662723 928406670 /nfs/dbraw/zinc/40/66/70/928406670.db2.gz CAZHKNKLKSZCLE-INIZCTEOSA-N 1 0 372.494 3.831 20 30 FHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]2c2ccccc2)sc2c1CCC2 ZINC000471177859 928608951 /nfs/dbraw/zinc/60/89/51/928608951.db2.gz RYLGVMFWSGGHGG-QGZVFWFLSA-N 1 0 351.475 3.884 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)CC1 ZINC000179807432 929068115 /nfs/dbraw/zinc/06/81/15/929068115.db2.gz ORHKGHBFGIRSRC-QUCCMNQESA-N 1 0 350.547 3.909 20 30 FHEDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000155260090 937300269 /nfs/dbraw/zinc/30/02/69/937300269.db2.gz XKWLIFZXPNCPDY-HUUCEWRRSA-N 1 0 367.424 3.654 20 30 FHEDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000471213051 929120960 /nfs/dbraw/zinc/12/09/60/929120960.db2.gz YULJVHVNLHPDKS-LJQANCHMSA-N 1 0 366.486 3.706 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCCC)CC2)cc1Cl ZINC000179917907 929184596 /nfs/dbraw/zinc/18/45/96/929184596.db2.gz XTIFLKLBWNBHCI-UHFFFAOYSA-N 1 0 350.890 3.643 20 30 FHEDRO CCOc1cc2c(cc1CNC(=[NH2+])Nc1cc(F)ccc1F)O[C@H](C)C2 ZINC000262268077 937310173 /nfs/dbraw/zinc/31/01/73/937310173.db2.gz HTRFEWMUMNHRRZ-LLVKDONJSA-N 1 0 361.392 3.614 20 30 FHEDRO C[NH2+]Cc1c(C)nn(-c2nc3cc(F)c(F)cc3c(Cl)c2C#N)c1C ZINC001167099952 929375537 /nfs/dbraw/zinc/37/55/37/929375537.db2.gz LMTWFAPDNWQSGY-UHFFFAOYSA-N 1 0 361.783 3.560 20 30 FHEDRO N#Cc1cc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c2ccccc2n1 ZINC000610245012 929534666 /nfs/dbraw/zinc/53/46/66/929534666.db2.gz XOOSSSLMHZKVEG-TWGQIWQCSA-N 1 0 354.457 3.942 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000154992777 929626137 /nfs/dbraw/zinc/62/61/37/929626137.db2.gz DQNWRRNARBGHPN-UHFFFAOYSA-N 1 0 373.403 3.809 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000187289803 929632205 /nfs/dbraw/zinc/63/22/05/929632205.db2.gz RJJDCLDUSDBXNM-UHFFFAOYSA-N 1 0 361.489 3.748 20 30 FHEDRO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)cc1C#N ZINC000134980138 929742919 /nfs/dbraw/zinc/74/29/19/929742919.db2.gz QJXSIUHHJCCILY-UHFFFAOYSA-N 1 0 362.376 3.809 20 30 FHEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000683680550 929767931 /nfs/dbraw/zinc/76/79/31/929767931.db2.gz QUWABGLJQDNPTK-YJBOKZPZSA-N 1 0 358.507 3.935 20 30 FHEDRO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccc(C#N)s1 ZINC000134990743 929770233 /nfs/dbraw/zinc/77/02/33/929770233.db2.gz BVRIQRDELHNCCV-OAHLLOKOSA-N 1 0 353.491 3.823 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)ccc1OC ZINC000157774808 929794287 /nfs/dbraw/zinc/79/42/87/929794287.db2.gz SOMAJVNFKNZMFD-OAQYLSRUSA-N 1 0 359.441 3.787 20 30 FHEDRO C=CCCCCCNC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000655972023 929830045 /nfs/dbraw/zinc/83/00/45/929830045.db2.gz UUCBHRMKQANLPO-UHFFFAOYSA-N 1 0 373.545 3.512 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000610317782 929879819 /nfs/dbraw/zinc/87/98/19/929879819.db2.gz XUOJQIXNHKZHLP-GOSISDBHSA-N 1 0 368.868 3.950 20 30 FHEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001167337197 929989681 /nfs/dbraw/zinc/98/96/81/929989681.db2.gz JUGOEOAOCGJTKW-FCHUYYIVSA-N 1 0 369.553 3.808 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000610338057 930024070 /nfs/dbraw/zinc/02/40/70/930024070.db2.gz UFOPLHQJLUOKRU-XHSDSOJGSA-N 1 0 364.449 3.945 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610346086 930047202 /nfs/dbraw/zinc/04/72/02/930047202.db2.gz KEDOPYXELBYZFY-CHWSQXEVSA-N 1 0 352.825 3.761 20 30 FHEDRO COc1ccc([C@@H](C[NH2+]Cc2cc(C#N)cs2)N2CCCCC2)cc1 ZINC000177680687 930064594 /nfs/dbraw/zinc/06/45/94/930064594.db2.gz IGFMDVGHGDBDLB-HXUWFJFHSA-N 1 0 355.507 3.945 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000610348746 930066693 /nfs/dbraw/zinc/06/66/93/930066693.db2.gz ZGPMNLMGMXOSQI-QGZVFWFLSA-N 1 0 364.493 3.960 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000610352651 930097149 /nfs/dbraw/zinc/09/71/49/930097149.db2.gz HYZFHCQDCONZDH-LPHOPBHVSA-N 1 0 366.465 3.657 20 30 FHEDRO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000610356383 930109092 /nfs/dbraw/zinc/10/90/92/930109092.db2.gz QNYBMCXJQHACKJ-UTKZUKDTSA-N 1 0 362.477 3.756 20 30 FHEDRO CCOc1ccc(C2(C[NH2+]Cc3cc(C#N)cs3)CCOCC2)cc1 ZINC000177690003 930115881 /nfs/dbraw/zinc/11/58/81/930115881.db2.gz PSYQZSLCFIRZTO-UHFFFAOYSA-N 1 0 356.491 3.856 20 30 FHEDRO CCc1nc(CN2CCC(C[NH2+]Cc3cc(C#N)cs3)CC2)cs1 ZINC000177699207 930168069 /nfs/dbraw/zinc/16/80/69/930168069.db2.gz QHXHNFGEFZBJGZ-UHFFFAOYSA-N 1 0 360.552 3.640 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000580175203 930334652 /nfs/dbraw/zinc/33/46/52/930334652.db2.gz PODIVRNKCJMHRL-WMZOPIPTSA-N 1 0 359.539 3.510 20 30 FHEDRO C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000583411122 937418997 /nfs/dbraw/zinc/41/89/97/937418997.db2.gz VZZCTEAJVSGQOG-WMZOPIPTSA-N 1 0 372.431 3.532 20 30 FHEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000583411120 937419127 /nfs/dbraw/zinc/41/91/27/937419127.db2.gz VZZCTEAJVSGQOG-FUHWJXTLSA-N 1 0 372.431 3.532 20 30 FHEDRO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1cccc(C#N)c1 ZINC000074918112 930594871 /nfs/dbraw/zinc/59/48/71/930594871.db2.gz YVRQTJQTCJASRU-ICSRJNTNSA-N 1 0 368.525 3.773 20 30 FHEDRO C[C@@H](NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000074918361 930595848 /nfs/dbraw/zinc/59/58/48/930595848.db2.gz WTENKBSRGGXPAU-UTKZUKDTSA-N 1 0 362.477 3.535 20 30 FHEDRO C[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1cccc(C#N)c1 ZINC000074918447 930598495 /nfs/dbraw/zinc/59/84/95/930598495.db2.gz XVYOLSJJNQOSTK-BJLQDIEVSA-N 1 0 368.525 3.915 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)cc1 ZINC000047909228 930668367 /nfs/dbraw/zinc/66/83/67/930668367.db2.gz CZLHZEFSDSIVTP-INIZCTEOSA-N 1 0 355.482 3.595 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000580423153 930669393 /nfs/dbraw/zinc/66/93/93/930669393.db2.gz HFRXTPOGCVIYEH-GHTZIAJQSA-N 1 0 370.880 3.756 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125703209 930724338 /nfs/dbraw/zinc/72/43/38/930724338.db2.gz DOPLFZDXOSFLBT-IBGZPJMESA-N 1 0 358.526 3.523 20 30 FHEDRO C[NH2+]Cc1ccc(Nc2cc(C#N)ccc2I)cc1 ZINC001211131665 930774331 /nfs/dbraw/zinc/77/43/31/930774331.db2.gz OXPPEECNHSXDSU-UHFFFAOYSA-N 1 0 363.202 3.626 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+]CCc2ccc(OC)cc2OC)cc1 ZINC000580514164 930787869 /nfs/dbraw/zinc/78/78/69/930787869.db2.gz JVDDOPYWFHMGRN-HXUWFJFHSA-N 1 0 354.450 3.890 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000580548852 930839539 /nfs/dbraw/zinc/83/95/39/930839539.db2.gz OHUQVIQNBRESNH-NVXWUHKLSA-N 1 0 370.522 3.968 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C)C(C)C ZINC000471600021 930904447 /nfs/dbraw/zinc/90/44/47/930904447.db2.gz YTWVDSGMYODVHE-HRCADAONSA-N 1 0 361.452 3.667 20 30 FHEDRO C[C@@H](COc1cccc(F)c1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537295581 930904917 /nfs/dbraw/zinc/90/49/17/930904917.db2.gz MSRGAGNCSSYOBP-KRWDZBQOSA-N 1 0 367.468 3.719 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000119248707 930951384 /nfs/dbraw/zinc/95/13/84/930951384.db2.gz GPVFTJIJZLMOCN-RHSMWYFYSA-N 1 0 369.415 3.619 20 30 FHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@@H]1CCOC(C)(C)C1 ZINC000580678753 931005922 /nfs/dbraw/zinc/00/59/22/931005922.db2.gz ORGZGOSHUSBKIU-LJQANCHMSA-N 1 0 371.525 3.830 20 30 FHEDRO CN(C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1cccs1 ZINC000160603037 931033979 /nfs/dbraw/zinc/03/39/79/931033979.db2.gz POWAHYAHLAJUJT-LBPRGKRZSA-N 1 0 372.416 3.676 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000580760516 931118115 /nfs/dbraw/zinc/11/81/15/931118115.db2.gz CUYLHZNKOYPDOG-OCYFJXFZSA-N 1 0 373.500 3.831 20 30 FHEDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCSCc1ccccc1C#N ZINC000177822559 931186956 /nfs/dbraw/zinc/18/69/56/931186956.db2.gz WMNDTHHVGMSUIV-QGZVFWFLSA-N 1 0 359.539 3.562 20 30 FHEDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCSCc1ccccc1C#N ZINC000177822546 931187312 /nfs/dbraw/zinc/18/73/12/931187312.db2.gz WMNDTHHVGMSUIV-KRWDZBQOSA-N 1 0 359.539 3.562 20 30 FHEDRO Cc1nsc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000557627417 931232757 /nfs/dbraw/zinc/23/27/57/931232757.db2.gz SVBBBMMMKDKJOM-PKOBYXMFSA-N 1 0 352.507 3.814 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000510360892 931385468 /nfs/dbraw/zinc/38/54/68/931385468.db2.gz ZWALLRKSUQNJOK-YPGOJHLTSA-N 1 0 361.489 3.753 20 30 FHEDRO Cc1noc(C)c1CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160751427 931541562 /nfs/dbraw/zinc/54/15/62/931541562.db2.gz GJUITOQPKCVKTD-UHFFFAOYSA-N 1 0 356.348 3.549 20 30 FHEDRO COCCC1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCCC1 ZINC000160756893 931544040 /nfs/dbraw/zinc/54/40/40/931544040.db2.gz UFQMLFTZAWSDKD-UHFFFAOYSA-N 1 0 359.392 3.909 20 30 FHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2ccccc2)cc1 ZINC000255263070 931547357 /nfs/dbraw/zinc/54/73/57/931547357.db2.gz POCBHGQAEZHBNX-YWBAYFEHSA-N 1 0 361.445 3.531 20 30 FHEDRO C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cc(C)[nH]c1=O)C2 ZINC001112501214 931567560 /nfs/dbraw/zinc/56/75/60/931567560.db2.gz PLLSFKRIKQDGGX-ZJBJCVSYSA-N 1 0 371.525 3.591 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000177920619 931568042 /nfs/dbraw/zinc/56/80/42/931568042.db2.gz FYPAENWVUUXNJM-UHFFFAOYSA-N 1 0 372.469 3.793 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CO)c1ccc(CC)cc1 ZINC000581136959 931611815 /nfs/dbraw/zinc/61/18/15/931611815.db2.gz IVADYSOMVIOJFF-LJQANCHMSA-N 1 0 370.518 3.789 20 30 FHEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000581161319 931625567 /nfs/dbraw/zinc/62/55/67/931625567.db2.gz UMRLJUGNTHFIKZ-FZKQIMNGSA-N 1 0 352.434 3.922 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCCOC(C)C)c1 ZINC000581221485 931695787 /nfs/dbraw/zinc/69/57/87/931695787.db2.gz QERJVODQCGTYNN-LJQANCHMSA-N 1 0 359.514 3.686 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000175984722 931707739 /nfs/dbraw/zinc/70/77/39/931707739.db2.gz AAZHDROAOCHTOX-UHFFFAOYSA-N 1 0 352.438 3.970 20 30 FHEDRO CC1(C)CN(c2c(C#N)nnc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000077218157 931836146 /nfs/dbraw/zinc/83/61/46/931836146.db2.gz LALRLSQXAVTRMH-UHFFFAOYSA-N 1 0 357.461 3.602 20 30 FHEDRO C[C@H]1C[C@@H](N(C)C(=O)C2(C#N)CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000933261063 931995467 /nfs/dbraw/zinc/99/54/67/931995467.db2.gz YJKAVVACSOHQGC-HKUYNNGSSA-N 1 0 371.550 3.535 20 30 FHEDRO Cc1cc(C)n([C@H](C)CC(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000328795079 932116790 /nfs/dbraw/zinc/11/67/90/932116790.db2.gz SYFRHDKJBLJRQE-QGZVFWFLSA-N 1 0 364.559 3.769 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000581530928 932216035 /nfs/dbraw/zinc/21/60/35/932216035.db2.gz AONSAETYIOQGFW-WFXMLNOXSA-N 1 0 368.525 3.800 20 30 FHEDRO Cc1nsc(N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C#N ZINC000891428493 932235604 /nfs/dbraw/zinc/23/56/04/932235604.db2.gz PZTUZONDQOXEKT-UHFFFAOYSA-N 1 0 354.479 3.586 20 30 FHEDRO N#Cc1ccccc1/C=C\C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000255320649 932242047 /nfs/dbraw/zinc/24/20/47/932242047.db2.gz PJZXCJXFQLDELI-XRZOFIDYSA-N 1 0 371.484 3.883 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)c1nc(C)cs1)C(C)C ZINC000069772078 932341267 /nfs/dbraw/zinc/34/12/67/932341267.db2.gz CGQJVENUSJZUDE-JKSUJKDBSA-N 1 0 350.532 3.510 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000510446267 932434089 /nfs/dbraw/zinc/43/40/89/932434089.db2.gz WBDVHLYGLAZMEL-LPHOPBHVSA-N 1 0 366.465 3.657 20 30 FHEDRO N#Cc1cccc(OCC[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000477412378 932540916 /nfs/dbraw/zinc/54/09/16/932540916.db2.gz OIPTXPSGWPBCNW-UHFFFAOYSA-N 1 0 357.251 3.978 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1C#N ZINC000157920245 932576821 /nfs/dbraw/zinc/57/68/21/932576821.db2.gz VNKZKBZCIGRICH-UHFFFAOYSA-N 1 0 370.497 3.874 20 30 FHEDRO C=CCc1cc(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc(OC)c1O ZINC000510466926 932709200 /nfs/dbraw/zinc/70/92/00/932709200.db2.gz DGUBWVSWIKMFPV-ZWOKBUDYSA-N 1 0 358.526 3.967 20 30 FHEDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1ccccc1OCC#N ZINC000891568220 932773802 /nfs/dbraw/zinc/77/38/02/932773802.db2.gz KHPSALGOCUWTFA-SFHVURJKSA-N 1 0 365.477 3.803 20 30 FHEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(Br)s1 ZINC000581899102 932931529 /nfs/dbraw/zinc/93/15/29/932931529.db2.gz AKTKCUVXWQWIQT-JTQLQIEISA-N 1 0 361.268 3.881 20 30 FHEDRO N#Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)nc1 ZINC000175975913 932934773 /nfs/dbraw/zinc/93/47/73/932934773.db2.gz SKVBSULBBWODIS-UHFFFAOYSA-N 1 0 374.488 3.614 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000471810097 932998796 /nfs/dbraw/zinc/99/87/96/932998796.db2.gz MYZFZMISPPFJAV-YLJYHZDGSA-N 1 0 359.489 3.802 20 30 FHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC000413418659 933038198 /nfs/dbraw/zinc/03/81/98/933038198.db2.gz FTNFUGFKUOCYGR-FCHUYYIVSA-N 1 0 361.489 3.818 20 30 FHEDRO Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328883435 933097803 /nfs/dbraw/zinc/09/78/03/933097803.db2.gz MEWZQWNMJNZRJY-KRWDZBQOSA-N 1 0 354.454 3.756 20 30 FHEDRO CCOc1ccc(O)c(C=Nc2cccc3c2CN(CCCOC)C3)c1 ZINC000255395946 933158651 /nfs/dbraw/zinc/15/86/51/933158651.db2.gz QFEFDFJOVZRALK-UHFFFAOYSA-N 1 0 354.450 3.894 20 30 FHEDRO N#CCCN(C(=O)C[N@@H+]1CCSC2(CCCCC2)C1)c1ccccc1 ZINC000430764954 933217365 /nfs/dbraw/zinc/21/73/65/933217365.db2.gz HNMSCFMCHLKPPT-UHFFFAOYSA-N 1 0 357.523 3.685 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000477747562 933321986 /nfs/dbraw/zinc/32/19/86/933321986.db2.gz WZUNNYPVHFXDLO-HXUWFJFHSA-N 1 0 351.425 3.733 20 30 FHEDRO COc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2ccccc21 ZINC000933773204 933501968 /nfs/dbraw/zinc/50/19/68/933501968.db2.gz GZHDANGVCIPUID-UHFFFAOYSA-N 1 0 354.454 3.548 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091949340 933736527 /nfs/dbraw/zinc/73/65/27/933736527.db2.gz XERBRZOFHJSTQL-GOSISDBHSA-N 1 0 356.510 3.722 20 30 FHEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000477872212 933907528 /nfs/dbraw/zinc/90/75/28/933907528.db2.gz GAWMZHVMUYKZPS-SJORKVTESA-N 1 0 350.409 3.939 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000891919628 934036780 /nfs/dbraw/zinc/03/67/80/934036780.db2.gz ZHAGOOYUZMUCBE-CTNGQTDRSA-N 1 0 354.498 3.597 20 30 FHEDRO COc1cccc([C@H](C/N=C/c2cccc(OC)c2O)[NH+]2CCCC2)c1 ZINC000022768849 934364672 /nfs/dbraw/zinc/36/46/72/934364672.db2.gz NNGYQPYHKBKHQU-KWJZBXMYSA-N 1 0 354.450 3.665 20 30 FHEDRO COc1cccc([C@@H](C/N=C/c2cc(OC)ccc2O)[NH+]2CCCC2)c1 ZINC000022768839 934364726 /nfs/dbraw/zinc/36/47/26/934364726.db2.gz MDUCZGKLIVJWDR-YRXLECQKSA-N 1 0 354.450 3.665 20 30 FHEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000535794449 934387720 /nfs/dbraw/zinc/38/77/20/934387720.db2.gz XUEZOPCCLCYIQH-QGZVFWFLSA-N 1 0 356.388 3.912 20 30 FHEDRO N#CCN1CCC([NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000610813404 934481238 /nfs/dbraw/zinc/48/12/38/934481238.db2.gz GDFDTUVUMYXQFL-QGZVFWFLSA-N 1 0 370.497 3.904 20 30 FHEDRO N#Cc1cccnc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000247658076 934558075 /nfs/dbraw/zinc/55/80/75/934558075.db2.gz QKRYJUMHCNMAAW-UHFFFAOYSA-N 1 0 360.383 3.684 20 30 FHEDRO C(=[NH+]OCc1ncc(-c2cccs2)o1)c1ccc(N2CCOCC2)cc1 ZINC000255418791 934558236 /nfs/dbraw/zinc/55/82/36/934558236.db2.gz HDKIQMHGKFRPLC-UHFFFAOYSA-N 1 0 369.446 3.790 20 30 FHEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000176202282 934600375 /nfs/dbraw/zinc/60/03/75/934600375.db2.gz RAVBAIRDSRYJBS-GOSISDBHSA-N 1 0 362.882 3.726 20 30 FHEDRO N#CCN1CCC([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000610930530 934626097 /nfs/dbraw/zinc/62/60/97/934626097.db2.gz CTCYEVXGJHKUCO-UHFFFAOYSA-N 1 0 365.321 3.802 20 30 FHEDRO COc1ccc(CC[N@@H+](Cc2ccnc(C#N)c2)CC(C)C)cc1OC ZINC000610993592 934730589 /nfs/dbraw/zinc/73/05/89/934730589.db2.gz YUUYVXKENZMFHB-UHFFFAOYSA-N 1 0 353.466 3.671 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1C#N ZINC000610994288 934738602 /nfs/dbraw/zinc/73/86/02/934738602.db2.gz BUEXNRYOGYJSSL-OAQYLSRUSA-N 1 0 350.462 3.791 20 30 FHEDRO CCn1nc(C[NH2+]CCSCc2ccccc2C#N)c2ccccc21 ZINC000472035398 934863928 /nfs/dbraw/zinc/86/39/28/934863928.db2.gz QDUXEYGPJBQVCL-UHFFFAOYSA-N 1 0 350.491 3.951 20 30 FHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000431283565 934865511 /nfs/dbraw/zinc/86/55/11/934865511.db2.gz QIFNJTSAXHZHEZ-QUCCMNQESA-N 1 0 356.514 3.699 20 30 FHEDRO CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000329032898 934919179 /nfs/dbraw/zinc/91/91/79/934919179.db2.gz XQANZQDBQKYGPX-FXAWDEMLSA-N 1 0 371.525 3.673 20 30 FHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000071901299 934976383 /nfs/dbraw/zinc/97/63/83/934976383.db2.gz FCHIAMFBKSEDSX-UHFFFAOYSA-N 1 0 368.868 3.998 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000119671118 935000152 /nfs/dbraw/zinc/00/01/52/935000152.db2.gz OCNDSKJDRNHVRI-UHFFFAOYSA-N 1 0 363.461 3.825 20 30 FHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000277392133 935070508 /nfs/dbraw/zinc/07/05/08/935070508.db2.gz XLNZVFUIMICPSM-LJQANCHMSA-N 1 0 363.461 3.907 20 30 FHEDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1OC(F)F ZINC000511072932 935240101 /nfs/dbraw/zinc/24/01/01/935240101.db2.gz NBTJZNWDGDYURP-UHFFFAOYSA-N 1 0 361.348 3.742 20 30 FHEDRO N#Cc1ccc2ncc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCCC3)n2c1 ZINC000516631707 945087156 /nfs/dbraw/zinc/08/71/56/945087156.db2.gz SPHJODLHDBWORE-JOCHJYFZSA-N 1 0 374.488 3.980 20 30 FHEDRO N#CCc1ccc(CNC(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000892203248 935328157 /nfs/dbraw/zinc/32/81/57/935328157.db2.gz VJNQYNFNUMMGPT-PZJWPPBQSA-N 1 0 368.525 3.582 20 30 FHEDRO CC(C)[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000507272122 945097826 /nfs/dbraw/zinc/09/78/26/945097826.db2.gz JXJITDFHDWSUEW-RTBURBONSA-N 1 0 355.869 3.767 20 30 FHEDRO Cc1nc(NC(=O)CC[N@@H+](C)C2CCCCC2)sc1SCC#N ZINC000548716871 935464711 /nfs/dbraw/zinc/46/47/11/935464711.db2.gz VOXHRHYMWIMRHK-UHFFFAOYSA-N 1 0 352.529 3.660 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@@H](CC)Cc2ccccc2Br)nn1 ZINC000657396618 935551802 /nfs/dbraw/zinc/55/18/02/935551802.db2.gz WRNKSGVDLQDGAP-HNNXBMFYSA-N 1 0 363.303 3.728 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000431402413 935659016 /nfs/dbraw/zinc/65/90/16/935659016.db2.gz JZSHDYIMVCLGJY-FFZOFVMBSA-N 1 0 356.514 3.819 20 30 FHEDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)[C@@H]2C1 ZINC000158264197 935665544 /nfs/dbraw/zinc/66/55/44/935665544.db2.gz HCXORHKYDYQSMU-YMPZKCBVSA-N 1 0 362.473 3.994 20 30 FHEDRO C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000582423123 935682479 /nfs/dbraw/zinc/68/24/79/935682479.db2.gz IBGCTFSXKOSYDR-WQVCFCJDSA-N 1 0 353.388 3.636 20 30 FHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)Oc3ccccc3C#N)c2C1 ZINC000158280927 935683708 /nfs/dbraw/zinc/68/37/08/935683708.db2.gz DTESXKKASGKVCD-MRXNPFEDSA-N 1 0 363.461 3.936 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563355294 935703768 /nfs/dbraw/zinc/70/37/68/935703768.db2.gz JWOASIYREVJDMS-LJQANCHMSA-N 1 0 357.498 3.524 20 30 FHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000509566041 945119162 /nfs/dbraw/zinc/11/91/62/945119162.db2.gz COLDVFWYLMKFHX-MAUKXSAKSA-N 1 0 366.465 3.569 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CC(C)(C)C)c1C#N ZINC000472227738 935787325 /nfs/dbraw/zinc/78/73/25/935787325.db2.gz BCFDIKNTDVVTOD-UHFFFAOYSA-N 1 0 370.497 3.924 20 30 FHEDRO CN(C)c1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000113335446 935816474 /nfs/dbraw/zinc/81/64/74/935816474.db2.gz DGQUJUANRYVGBR-UHFFFAOYSA-N 1 0 359.477 3.820 20 30 FHEDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113335937 935816657 /nfs/dbraw/zinc/81/66/57/935816657.db2.gz OSEXLZVYCPPKET-QGZVFWFLSA-N 1 0 360.461 3.890 20 30 FHEDRO CC(C)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCC(C)CC1 ZINC000479370825 935831347 /nfs/dbraw/zinc/83/13/47/935831347.db2.gz FFKNDAMDLXXXNN-FQEVSTJZSA-N 1 0 368.525 3.603 20 30 FHEDRO CN(CC#Cc1ccccc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000135129881 935831985 /nfs/dbraw/zinc/83/19/85/935831985.db2.gz RNOBYCBGPFWPSV-UHFFFAOYSA-N 1 0 367.924 3.725 20 30 FHEDRO CC(C)(C#N)CCCC[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000277768358 935907745 /nfs/dbraw/zinc/90/77/45/935907745.db2.gz QXIGOHIVKKJTMG-UHFFFAOYSA-N 1 0 355.526 3.874 20 30 FHEDRO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000684966485 935913108 /nfs/dbraw/zinc/91/31/08/935913108.db2.gz HMWWTUJFILJMOV-OAQYLSRUSA-N 1 0 368.452 3.623 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277780912 935929377 /nfs/dbraw/zinc/92/93/77/935929377.db2.gz UEYVLDABHFUBON-OAHLLOKOSA-N 1 0 372.538 3.934 20 30 FHEDRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)Cc1cccc(C#N)c1 ZINC000046518802 935955352 /nfs/dbraw/zinc/95/53/52/935955352.db2.gz UIRYGGMMTAXBCU-CRAIPNDOSA-N 1 0 353.491 3.804 20 30 FHEDRO N#Cc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000166288297 936096228 /nfs/dbraw/zinc/09/62/28/936096228.db2.gz NFSLVEGEFPKNHT-UHFFFAOYSA-N 1 0 364.449 3.611 20 30 FHEDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)cc1OCCCC#N ZINC000119992926 936174646 /nfs/dbraw/zinc/17/46/46/936174646.db2.gz MVANEDCBSHPFAS-SFHVURJKSA-N 1 0 374.868 3.854 20 30 FHEDRO COc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1OCCCC#N ZINC000092785832 936183987 /nfs/dbraw/zinc/18/39/87/936183987.db2.gz COYSEPONVFIESL-HXUWFJFHSA-N 1 0 371.525 3.828 20 30 FHEDRO Cc1coc(-c2ccc(C)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c2)n1 ZINC000121201180 936300452 /nfs/dbraw/zinc/30/04/52/936300452.db2.gz GWUQZEZYFGUPSY-UHFFFAOYSA-N 1 0 369.469 3.658 20 30 FHEDRO C=CCSCCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000582937428 936304141 /nfs/dbraw/zinc/30/41/41/936304141.db2.gz QWKJYBSPVYYENM-LJQANCHMSA-N 1 0 361.555 3.507 20 30 FHEDRO N#Cc1ccsc1NC(=O)CN1CCC[C@@H]1Cc1ccccc1Cl ZINC000140543518 945158064 /nfs/dbraw/zinc/15/80/64/945158064.db2.gz LJBHDXCKXGLTDF-OAHLLOKOSA-N 1 0 359.882 3.919 20 30 FHEDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000583423151 938249329 /nfs/dbraw/zinc/24/93/29/938249329.db2.gz CJCUZYRKMNKCOY-HOJAQTOUSA-N 1 0 350.466 3.569 20 30 FHEDRO Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)c(C(C)C)cc1Cl ZINC000583435923 938253709 /nfs/dbraw/zinc/25/37/09/938253709.db2.gz KHYMGGRPXKGBHR-ARFHVFGLSA-N 1 0 350.890 3.793 20 30 FHEDRO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000511804306 945161343 /nfs/dbraw/zinc/16/13/43/945161343.db2.gz CTKOYPGOKDZTDG-PMACEKPBSA-N 1 0 358.526 3.775 20 30 FHEDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000127194646 938258307 /nfs/dbraw/zinc/25/83/07/938258307.db2.gz TXYSEXAXPLXUMF-SFHVURJKSA-N 1 0 374.492 3.810 20 30 FHEDRO C[NH+](C)CCCOc1ccc(CNc2snc(Cl)c2C#N)cc1 ZINC000728568932 938281104 /nfs/dbraw/zinc/28/11/04/938281104.db2.gz ALVGZIVQOXJMNT-UHFFFAOYSA-N 1 0 350.875 3.611 20 30 FHEDRO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)C1 ZINC000329189681 938284367 /nfs/dbraw/zinc/28/43/67/938284367.db2.gz RPCYNCRVOSDJRK-VQTJNVASSA-N 1 0 371.525 3.739 20 30 FHEDRO CCC1(CNC(=O)NCC(C)(C)CC#N)CC[NH+](Cc2ccccc2)CC1 ZINC000458577872 938294384 /nfs/dbraw/zinc/29/43/84/938294384.db2.gz FAQTUWHOVAYRNK-UHFFFAOYSA-N 1 0 370.541 3.918 20 30 FHEDRO CCOc1ccccc1[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161763653 938299976 /nfs/dbraw/zinc/29/99/76/938299976.db2.gz JYLXXKXXRZPKPJ-MRXNPFEDSA-N 1 0 350.466 3.672 20 30 FHEDRO C[C@H]1C[C@H](CCNC(=O)NCC(C)(C)CC#N)C[N@@H+]1Cc1ccccc1 ZINC000458588172 938303876 /nfs/dbraw/zinc/30/38/76/938303876.db2.gz KUJYAVHZIWBUFP-HKUYNNGSSA-N 1 0 356.514 3.526 20 30 FHEDRO C=CCc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1O ZINC000245723042 938313750 /nfs/dbraw/zinc/31/37/50/938313750.db2.gz DOFMVVDRSJPHRZ-ICSRJNTNSA-N 1 0 356.510 3.578 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000157517966 938384520 /nfs/dbraw/zinc/38/45/20/938384520.db2.gz QMFNTUJKPWZUNW-GOSISDBHSA-N 1 0 369.509 3.706 20 30 FHEDRO CCC(=O)N1CCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000329400195 938387318 /nfs/dbraw/zinc/38/73/18/938387318.db2.gz VTWQVRNXFAFYCX-SFHVURJKSA-N 1 0 363.546 3.923 20 30 FHEDRO CC[N@H+](CCNC(=O)c1ccc(F)c(C(F)(F)F)c1)CCC(F)(F)F ZINC000427206654 945175239 /nfs/dbraw/zinc/17/52/39/945175239.db2.gz STJZFDIMDHKSRM-UHFFFAOYSA-N 1 0 374.300 3.849 20 30 FHEDRO N#CCc1cc(Cl)ccc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583882197 938465496 /nfs/dbraw/zinc/46/54/96/938465496.db2.gz YAFYRHRIRLJDPW-KRWDZBQOSA-N 1 0 353.853 3.867 20 30 FHEDRO C[NH+](C)CCN(C/C=C\c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000583961601 938505254 /nfs/dbraw/zinc/50/52/54/938505254.db2.gz ICJIHSSAPFHWKA-ARJAWSKDSA-N 1 0 355.432 3.913 20 30 FHEDRO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1COc2ccccc2O1 ZINC000584144842 938616672 /nfs/dbraw/zinc/61/66/72/938616672.db2.gz QTCSCWZTUYBCDA-HNNXBMFYSA-N 1 0 362.351 3.849 20 30 FHEDRO C=C(C)C[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccc(CO)o1 ZINC000660538897 945191188 /nfs/dbraw/zinc/19/11/88/945191188.db2.gz QMPRSRHQICXTEU-IBGZPJMESA-N 1 0 372.490 3.653 20 30 FHEDRO CCN(CC[NH+]1CCCCCC1)C(=O)CSCc1ccc(C#N)cc1 ZINC000584190148 938636664 /nfs/dbraw/zinc/63/66/64/938636664.db2.gz MJEVQTYNAULFLE-UHFFFAOYSA-N 1 0 359.539 3.516 20 30 FHEDRO CCC1(CC)[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1OC ZINC000278726570 938689058 /nfs/dbraw/zinc/68/90/58/938689058.db2.gz TZSJEUOGQRHNJM-OALUTQOASA-N 1 0 367.497 3.542 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000657841555 938701675 /nfs/dbraw/zinc/70/16/75/938701675.db2.gz FTQGTOHOMJNBNQ-WIYYLYMNSA-N 1 0 356.510 3.611 20 30 FHEDRO N#CCc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000506012517 945197247 /nfs/dbraw/zinc/19/72/47/945197247.db2.gz OACSKAXIEFTHAY-LJQANCHMSA-N 1 0 369.415 3.849 20 30 FHEDRO Cc1cc(C[NH+](C)C)cc(NCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278738176 938709399 /nfs/dbraw/zinc/70/93/99/938709399.db2.gz VELIGWUGJYKFET-UHFFFAOYSA-N 1 0 374.492 3.841 20 30 FHEDRO COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)c2)n1 ZINC000278742305 938718482 /nfs/dbraw/zinc/71/84/82/938718482.db2.gz NKBJPROWRSIKIA-XJKSGUPXSA-N 1 0 355.463 3.769 20 30 FHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187786175 938779691 /nfs/dbraw/zinc/77/96/91/938779691.db2.gz QTZZJHQOVALAFS-OXQOHEQNSA-N 1 0 365.395 3.888 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2(C#N)CCCC2)C1 ZINC000044755278 945203983 /nfs/dbraw/zinc/20/39/83/945203983.db2.gz ILUBWRGJIATNIJ-HDICACEKSA-N 1 0 353.510 3.865 20 30 FHEDRO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000329792903 938812663 /nfs/dbraw/zinc/81/26/63/938812663.db2.gz AMBMTHJCPBVQCV-SFHVURJKSA-N 1 0 363.477 3.665 20 30 FHEDRO C=CCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000584437806 938879407 /nfs/dbraw/zinc/87/94/07/938879407.db2.gz XZMRBNKDVAQZAD-UHFFFAOYSA-N 1 0 356.422 3.843 20 30 FHEDRO C=CCc1cc(C[NH2+]CC2(c3cccc(OC)c3)CC2)cc(OC)c1O ZINC000584439524 938883568 /nfs/dbraw/zinc/88/35/68/938883568.db2.gz YYLWPLGMLDFTFX-UHFFFAOYSA-N 1 0 353.462 3.959 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc2c1ccn2C)C(C)C ZINC000588958144 938934896 /nfs/dbraw/zinc/93/48/96/938934896.db2.gz LXPGXTMKUWOOGT-HXUWFJFHSA-N 1 0 354.498 3.998 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@@H]1C ZINC000458801078 938945000 /nfs/dbraw/zinc/94/50/00/938945000.db2.gz MJVCSJREIVVBFA-YSIASYRMSA-N 1 0 356.514 3.936 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000143172844 938949349 /nfs/dbraw/zinc/94/93/49/938949349.db2.gz RPAZIOFSFJLUFG-QFIPXVFZSA-N 1 0 361.489 3.753 20 30 FHEDRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000176873584 938969781 /nfs/dbraw/zinc/96/97/81/938969781.db2.gz RLQBWYSCAYPMIW-AWEZNQCLSA-N 1 0 361.461 3.823 20 30 FHEDRO C=CCn1c([C@H](C)CC)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000685533733 938997096 /nfs/dbraw/zinc/99/70/96/938997096.db2.gz OMNKDHVNKOAPSN-MSOLQXFVSA-N 1 0 353.514 3.688 20 30 FHEDRO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176972435 939021274 /nfs/dbraw/zinc/02/12/74/939021274.db2.gz BZPOANFLWGDGAX-UHFFFAOYSA-N 1 0 362.458 3.581 20 30 FHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc(OC)c1OC ZINC000065745953 939021697 /nfs/dbraw/zinc/02/16/97/939021697.db2.gz TVPQNLPVSALUIY-UHFFFAOYSA-N 1 0 374.525 3.769 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000658137237 939041136 /nfs/dbraw/zinc/04/11/36/939041136.db2.gz ZQVNJUNWUSNDQU-QUCCMNQESA-N 1 0 371.525 3.718 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000658137235 939041236 /nfs/dbraw/zinc/04/12/36/939041236.db2.gz ZQVNJUNWUSNDQU-AZUAARDMSA-N 1 0 371.525 3.718 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@](C)(C#N)C3)cc2)C1 ZINC000612106083 939054333 /nfs/dbraw/zinc/05/43/33/939054333.db2.gz SACGECDANHQNER-PGRDOPGGSA-N 1 0 368.525 3.754 20 30 FHEDRO C=CCOCCC[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000658210933 939070676 /nfs/dbraw/zinc/07/06/76/939070676.db2.gz YVTVIOZHMJDBKH-OAQYLSRUSA-N 1 0 373.518 3.670 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000612115607 939081631 /nfs/dbraw/zinc/08/16/31/939081631.db2.gz PRMYUAQCWDQKAB-JOCHJYFZSA-N 1 0 368.525 3.898 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000612116963 939082806 /nfs/dbraw/zinc/08/28/06/939082806.db2.gz GZNOLKYMCLFEOR-JOCHJYFZSA-N 1 0 368.525 3.898 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000612124952 939102279 /nfs/dbraw/zinc/10/22/79/939102279.db2.gz XRTPSAAQUARQCS-RKKYOWQMSA-N 1 0 366.509 3.517 20 30 FHEDRO N#Cc1cccc(CC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612132054 939117130 /nfs/dbraw/zinc/11/71/30/939117130.db2.gz QLDZZIYYEFOETM-YTFSRNRJSA-N 1 0 373.500 3.518 20 30 FHEDRO N#Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612131622 939118389 /nfs/dbraw/zinc/11/83/89/939118389.db2.gz GIGGEPREGZMAJG-DNVJHFABSA-N 1 0 373.500 3.518 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)cc1 ZINC000179436712 939160049 /nfs/dbraw/zinc/16/00/49/939160049.db2.gz NDGGNKOCXZHNQQ-SFHVURJKSA-N 1 0 371.506 3.688 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000179449680 939164498 /nfs/dbraw/zinc/16/44/98/939164498.db2.gz GJWAGMYXYNEWRI-SJLPKXTDSA-N 1 0 373.497 3.666 20 30 FHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000179473728 939171193 /nfs/dbraw/zinc/17/11/93/939171193.db2.gz MHBPOHATSNUEMQ-MSOLQXFVSA-N 1 0 354.841 3.779 20 30 FHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(F)c3C#N)cc2)C1 ZINC000427256465 945232924 /nfs/dbraw/zinc/23/29/24/945232924.db2.gz KBPLDDXAVZLNAX-OAHLLOKOSA-N 1 0 367.424 3.670 20 30 FHEDRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728605239 939187771 /nfs/dbraw/zinc/18/77/71/939187771.db2.gz VDPIUENCNGRHKA-LJQANCHMSA-N 1 0 364.493 3.568 20 30 FHEDRO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000612174521 939193305 /nfs/dbraw/zinc/19/33/05/939193305.db2.gz CRFPZNWYKBSGPW-UNMCSNQZSA-N 1 0 364.489 3.599 20 30 FHEDRO C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000425784247 945240447 /nfs/dbraw/zinc/24/04/47/945240447.db2.gz JTAABRMFHWWOHZ-FIKGOQFSSA-N 1 0 364.493 3.952 20 30 FHEDRO CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000507446138 945240621 /nfs/dbraw/zinc/24/06/21/945240621.db2.gz DLRGDZWQNOSROE-MOPGFXCFSA-N 1 0 363.461 3.950 20 30 FHEDRO C=CCC1(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCC1 ZINC000664784803 945243626 /nfs/dbraw/zinc/24/36/26/945243626.db2.gz LCQKAORWYWTBDK-UHFFFAOYSA-N 1 0 373.463 3.980 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000507465406 945253449 /nfs/dbraw/zinc/25/34/49/945253449.db2.gz FGQDTJPFNAICEO-UHFFFAOYSA-N 1 0 359.901 3.940 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3ccc(OC)cc3)CCCC2)CC1 ZINC000519270340 945263736 /nfs/dbraw/zinc/26/37/36/945263736.db2.gz IIWUFDCOJJNVMF-UHFFFAOYSA-N 1 0 356.510 3.664 20 30 FHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000179720043 939926137 /nfs/dbraw/zinc/92/61/37/939926137.db2.gz ISUXBHGXFCVYOA-INIZCTEOSA-N 1 0 359.376 3.839 20 30 FHEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccco1 ZINC000375851785 939973922 /nfs/dbraw/zinc/97/39/22/939973922.db2.gz MRDLUDGWUGNCGH-IAGOWNOFSA-N 1 0 356.470 3.802 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000458806218 939993287 /nfs/dbraw/zinc/99/32/87/939993287.db2.gz VUZDXAANWGJJMH-QUCCMNQESA-N 1 0 354.498 3.549 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000612372536 940029291 /nfs/dbraw/zinc/02/92/91/940029291.db2.gz RBPDNXHZGARCBW-TZIWHRDSSA-N 1 0 354.498 3.549 20 30 FHEDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000375898827 940036456 /nfs/dbraw/zinc/03/64/56/940036456.db2.gz YAQIPOKQGUHOMZ-OAQYLSRUSA-N 1 0 363.461 3.649 20 30 FHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000540883419 940046288 /nfs/dbraw/zinc/04/62/88/940046288.db2.gz SFQHXBMUWGWVBS-UHFFFAOYSA-N 1 0 355.869 3.852 20 30 FHEDRO C=CCOc1c(Br)cc(C[N@H+](CCO)C(C)C)cc1OCC ZINC000506776687 945293877 /nfs/dbraw/zinc/29/38/77/945293877.db2.gz MZYCOTMMMLOAOB-UHFFFAOYSA-N 1 0 372.303 3.615 20 30 FHEDRO Cc1noc(C)c1[C@@H](C)NCC(=O)N(CCC#N)c1cccc(C)c1C ZINC000612461445 940076868 /nfs/dbraw/zinc/07/68/68/940076868.db2.gz BNTXMZKGAHZYBB-OAHLLOKOSA-N 1 0 354.454 3.506 20 30 FHEDRO Cc1ccc(CCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930421 940078868 /nfs/dbraw/zinc/07/88/68/940078868.db2.gz LVKRUVPLLKTJFG-UHFFFAOYSA-N 1 0 363.505 3.780 20 30 FHEDRO Cc1ccc2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)[nH]c2c1 ZINC000065930068 940079318 /nfs/dbraw/zinc/07/93/18/940079318.db2.gz MVVBNQVHCATEMW-UHFFFAOYSA-N 1 0 360.461 3.552 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc2c1CCCC2 ZINC000065930856 940079840 /nfs/dbraw/zinc/07/98/40/940079840.db2.gz USTOOISRYDLLQI-UHFFFAOYSA-N 1 0 367.518 3.703 20 30 FHEDRO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000612471515 940085741 /nfs/dbraw/zinc/08/57/41/940085741.db2.gz NSEYBEXQDPNCPL-UHFFFAOYSA-N 1 0 357.841 3.794 20 30 FHEDRO C=CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCc1ccccc1 ZINC000065959844 940122556 /nfs/dbraw/zinc/12/25/56/940122556.db2.gz DOKBLQLBJNNIRE-UHFFFAOYSA-N 1 0 367.449 3.963 20 30 FHEDRO CCOc1ccccc1C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179927715 940133820 /nfs/dbraw/zinc/13/38/20/940133820.db2.gz TUYVHPPKOLIUTB-UHFFFAOYSA-N 1 0 360.461 3.989 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000413810919 940139633 /nfs/dbraw/zinc/13/96/33/940139633.db2.gz ANWIJLKKTKWWPS-NRFANRHFSA-N 1 0 357.542 3.937 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCOC3(CCCCC3)C2)c(-c2ccccc2)n1 ZINC000179934396 940148424 /nfs/dbraw/zinc/14/84/24/940148424.db2.gz ISZWNLHJHNNIQC-UHFFFAOYSA-N 1 0 364.493 3.999 20 30 FHEDRO N#C[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000612652620 940203094 /nfs/dbraw/zinc/20/30/94/940203094.db2.gz XJMDTJYQMKZWRK-GOEBONIOSA-N 1 0 352.265 3.549 20 30 FHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180029608 940277363 /nfs/dbraw/zinc/27/73/63/940277363.db2.gz IPXYVIIDJPZULQ-QGZVFWFLSA-N 1 0 363.490 3.795 20 30 FHEDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)c1 ZINC000376163600 940396220 /nfs/dbraw/zinc/39/62/20/940396220.db2.gz BVAFIXZJPPUFQD-KJRRRBQDSA-N 1 0 369.509 3.544 20 30 FHEDRO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613124253 940458434 /nfs/dbraw/zinc/45/84/34/940458434.db2.gz ABISIIJHGZRQBL-GHTZIAJQSA-N 1 0 352.478 3.793 20 30 FHEDRO C(#CC[N@@H+]1CCC[C@H](c2ccccn2)C1)CN1CCC[C@H](c2ccccn2)C1 ZINC000660625909 945323931 /nfs/dbraw/zinc/32/39/31/945323931.db2.gz LKVJGKXUHGYNCQ-VXKWHMMOSA-N 1 0 374.532 3.539 20 30 FHEDRO C[C@@H]1CCC[C@@](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)(N(C)C)C1 ZINC000180104063 940481974 /nfs/dbraw/zinc/48/19/74/940481974.db2.gz LUUVOCXJYKJPHO-VGOFRKELSA-N 1 0 365.525 3.559 20 30 FHEDRO C[C@@H]1CCC[C@](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)(N(C)C)C1 ZINC000180104093 940481997 /nfs/dbraw/zinc/48/19/97/940481997.db2.gz LUUVOCXJYKJPHO-VGSWGCGISA-N 1 0 365.525 3.559 20 30 FHEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000613255181 940495905 /nfs/dbraw/zinc/49/59/05/940495905.db2.gz RUJOXPZUPHKZMP-GGPKGHCWSA-N 1 0 369.509 3.811 20 30 FHEDRO N#Cc1cc(F)c(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c(F)c1 ZINC000581215865 940496778 /nfs/dbraw/zinc/49/67/78/940496778.db2.gz XYKWUDZUAULUBP-UHFFFAOYSA-N 1 0 361.436 3.707 20 30 FHEDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000173121280 940510760 /nfs/dbraw/zinc/51/07/60/940510760.db2.gz SOSRNVZLGRMVRK-UHFFFAOYSA-N 1 0 352.438 3.812 20 30 FHEDRO CN(C)C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000582199051 940660726 /nfs/dbraw/zinc/66/07/26/940660726.db2.gz GNKNUKKZOCRFTP-QFIPXVFZSA-N 1 0 366.484 3.559 20 30 FHEDRO C[NH+](C)CCOc1ccc(CNc2nc(C(C)(C)C)ccc2C#N)cc1 ZINC000613414567 940685519 /nfs/dbraw/zinc/68/55/19/940685519.db2.gz PKSUHUWJDRZXJE-UHFFFAOYSA-N 1 0 352.482 3.803 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)cc1 ZINC000174309827 940719507 /nfs/dbraw/zinc/71/95/07/940719507.db2.gz OHHUJSXEHBWYGW-FQEVSTJZSA-N 1 0 362.477 3.934 20 30 FHEDRO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000582615434 940759965 /nfs/dbraw/zinc/75/99/65/940759965.db2.gz WCSSGBUUWISLJG-UHFFFAOYSA-N 1 0 374.410 3.680 20 30 FHEDRO CCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000180176153 940762710 /nfs/dbraw/zinc/76/27/10/940762710.db2.gz NOLVEMQRSWXLSU-UHFFFAOYSA-N 1 0 364.424 3.786 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC[N@@H+]1C ZINC000330078036 945347418 /nfs/dbraw/zinc/34/74/18/945347418.db2.gz NJJXILJVTOMGAF-NUJGCVRESA-N 1 0 357.498 3.809 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000549038318 940795928 /nfs/dbraw/zinc/79/59/28/940795928.db2.gz UYGUQKXKSWAKQD-PBHICJAKSA-N 1 0 352.413 3.654 20 30 FHEDRO Cn1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180200829 940802154 /nfs/dbraw/zinc/80/21/54/940802154.db2.gz GBCJGFYEUHRNMT-NRFANRHFSA-N 1 0 364.493 3.882 20 30 FHEDRO CC[C@H](O)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000180205685 940818735 /nfs/dbraw/zinc/81/87/35/940818735.db2.gz PLWXYKZICIXVIC-QFIPXVFZSA-N 1 0 374.488 3.732 20 30 FHEDRO CC1CCC([NH+]2CCC(NC(=O)NCC3CCC(C#N)CC3)CC2)CC1 ZINC000376387786 940895171 /nfs/dbraw/zinc/89/51/71/940895171.db2.gz RDPCEBWMNPDWBG-UHFFFAOYSA-N 1 0 360.546 3.659 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000170949109 940927807 /nfs/dbraw/zinc/92/78/07/940927807.db2.gz IQLYGDYJPOCIGP-CVEARBPZSA-N 1 0 353.293 3.864 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000170949110 940927819 /nfs/dbraw/zinc/92/78/19/940927819.db2.gz IQLYGDYJPOCIGP-JKSUJKDBSA-N 1 0 353.293 3.864 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414310944 940941804 /nfs/dbraw/zinc/94/18/04/940941804.db2.gz XNFOMSKKZLZXDR-XLIONFOSSA-N 1 0 372.534 3.775 20 30 FHEDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cccc(SCC#N)c2)c1 ZINC000175895468 940948787 /nfs/dbraw/zinc/94/87/87/940948787.db2.gz SLFIUKVTJTUBAV-UHFFFAOYSA-N 1 0 369.490 3.885 20 30 FHEDRO N#CCSc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000175948440 940957138 /nfs/dbraw/zinc/95/71/38/940957138.db2.gz WUBZEZKGMGZUPT-IBGZPJMESA-N 1 0 365.502 3.697 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(SCC#N)c2)C1 ZINC000176048826 940973828 /nfs/dbraw/zinc/97/38/28/940973828.db2.gz NUFMPAOSFNWAIX-INIZCTEOSA-N 1 0 359.539 3.933 20 30 FHEDRO CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186307808 940980025 /nfs/dbraw/zinc/98/00/25/940980025.db2.gz MBCAIYUDSRZLBB-QFIPXVFZSA-N 1 0 373.500 3.978 20 30 FHEDRO O=C(N[C@@H]1CCCc2c[nH]nc21)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000330128533 945367634 /nfs/dbraw/zinc/36/76/34/945367634.db2.gz NRQWLZUXHQIHSQ-SJLPKXTDSA-N 1 0 356.445 3.795 20 30 FHEDRO N#Cc1c(Cl)nc2cccc(F)c2c1-n1nc(C[NH3+])c2ccccc21 ZINC001167697796 941022317 /nfs/dbraw/zinc/02/23/17/941022317.db2.gz MNXNAWYTMKDRRH-UHFFFAOYSA-N 1 0 351.772 3.697 20 30 FHEDRO N#Cc1cccc(NC(=O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180549456 941045625 /nfs/dbraw/zinc/04/56/25/941045625.db2.gz PHIHZOJXKPNGGA-INIZCTEOSA-N 1 0 365.330 3.919 20 30 FHEDRO CCCOc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Cl ZINC000176554854 941057892 /nfs/dbraw/zinc/05/78/92/941057892.db2.gz HWAICZRGSNDOMM-UHFFFAOYSA-N 1 0 366.893 3.828 20 30 FHEDRO N#Cc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)c(Br)c1 ZINC000180970624 941098318 /nfs/dbraw/zinc/09/83/18/941098318.db2.gz JRDLNDTUSHWUSJ-UHFFFAOYSA-N 1 0 362.315 3.629 20 30 FHEDRO COc1ccccc1CN(CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000177116207 941101349 /nfs/dbraw/zinc/10/13/49/941101349.db2.gz VJQPJXIZWKITPM-UHFFFAOYSA-N 1 0 363.379 3.560 20 30 FHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000181147520 941109061 /nfs/dbraw/zinc/10/90/61/941109061.db2.gz GTINROKIWIQAQX-ZDUSSCGKSA-N 1 0 358.367 3.946 20 30 FHEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000480690773 941125650 /nfs/dbraw/zinc/12/56/50/941125650.db2.gz UBIUXDIVJAUQSF-CJNGLKHVSA-N 1 0 353.388 3.764 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](CC1CC1)CC1CC1 ZINC000115562677 941137807 /nfs/dbraw/zinc/13/78/07/941137807.db2.gz CKJHRKAVZNMZST-OAHLLOKOSA-N 1 0 357.523 3.999 20 30 FHEDRO C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)C[NH+]1CCCC1 ZINC000181387598 941145067 /nfs/dbraw/zinc/14/50/67/941145067.db2.gz DORSIIVCAMZWKU-KRWDZBQOSA-N 1 0 363.461 3.812 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000189191995 941151204 /nfs/dbraw/zinc/15/12/04/941151204.db2.gz UICRZHXKUGPVFC-JOCHJYFZSA-N 1 0 373.500 3.617 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)cc1 ZINC000181399515 941152650 /nfs/dbraw/zinc/15/26/50/941152650.db2.gz SHPFURANFZBVDN-LIRRHRJNSA-N 1 0 374.278 3.845 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000177908077 941153775 /nfs/dbraw/zinc/15/37/75/941153775.db2.gz LOGDINZHVWFKTK-AWEZNQCLSA-N 1 0 372.469 3.793 20 30 FHEDRO Cn1cc(CC[NH2+]Cc2cnc3ccc(C#N)cn23)c2ccc(Cl)cc21 ZINC000189530366 941160858 /nfs/dbraw/zinc/16/08/58/941160858.db2.gz PFGJKMJWTWKKTQ-UHFFFAOYSA-N 1 0 363.852 3.683 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000178553995 941279116 /nfs/dbraw/zinc/27/91/16/941279116.db2.gz NLJKQMYOWJSXTD-UHFFFAOYSA-N 1 0 366.440 3.792 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCCO[C@@H](CF)C2)c1 ZINC000414475309 941305964 /nfs/dbraw/zinc/30/59/64/941305964.db2.gz GGQZTRRFDYCIDE-NRFANRHFSA-N 1 0 354.425 3.698 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-c2cc[nH]n2)s1)C(C)C ZINC000431835255 941326076 /nfs/dbraw/zinc/32/60/76/941326076.db2.gz XQNXREYWJLPOMY-INIZCTEOSA-N 1 0 358.511 3.567 20 30 FHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000376652555 941372220 /nfs/dbraw/zinc/37/22/20/941372220.db2.gz JRSLMZDPZLUVDL-ICSRJNTNSA-N 1 0 367.518 3.586 20 30 FHEDRO C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000376652554 941372304 /nfs/dbraw/zinc/37/23/04/941372304.db2.gz JRSLMZDPZLUVDL-AZUAARDMSA-N 1 0 367.518 3.586 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC(C)(C)CCC#N)CC1 ZINC000376660577 941375081 /nfs/dbraw/zinc/37/50/81/941375081.db2.gz OYCXHOKXZJUJPS-QGZVFWFLSA-N 1 0 356.514 3.841 20 30 FHEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000414552815 941378051 /nfs/dbraw/zinc/37/80/51/941378051.db2.gz HTKDWZREKFLBBH-UGKGYDQZSA-N 1 0 372.472 3.861 20 30 FHEDRO C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(OCC#N)cc1 ZINC000181800246 941386262 /nfs/dbraw/zinc/38/62/62/941386262.db2.gz WKAJENCAIJYFAE-KDOFPFPSSA-N 1 0 359.470 3.543 20 30 FHEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)cc(OC)c1O ZINC000414593173 941389233 /nfs/dbraw/zinc/38/92/33/941389233.db2.gz QRMIOZOXKOXWBU-GOSISDBHSA-N 1 0 356.441 3.637 20 30 FHEDRO N#Cc1ccc(OCc2ccc(-c3nc(C4([NH3+])CCCC4)no3)o2)cc1 ZINC000414612624 941398124 /nfs/dbraw/zinc/39/81/24/941398124.db2.gz DRPJBFPMEFFNPV-UHFFFAOYSA-N 1 0 350.378 3.508 20 30 FHEDRO N#Cc1ccccc1OCc1ccc(-c2nc(C3([NH3+])CCCC3)no2)o1 ZINC000414622117 941415816 /nfs/dbraw/zinc/41/58/16/941415816.db2.gz SAEKWYHLBMYYKP-UHFFFAOYSA-N 1 0 350.378 3.508 20 30 FHEDRO C=CCCCCCCNC(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377005507 941488549 /nfs/dbraw/zinc/48/85/49/941488549.db2.gz DNUQNYFBIJHCOC-UHFFFAOYSA-N 1 0 372.557 3.866 20 30 FHEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000472655984 941495479 /nfs/dbraw/zinc/49/54/79/941495479.db2.gz XZGXWNDUFFTWAX-GOEBONIOSA-N 1 0 354.288 3.922 20 30 FHEDRO C=CCCCCCCNC(=O)N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000377044827 941502530 /nfs/dbraw/zinc/50/25/30/941502530.db2.gz QXEOXBZZIHFIQE-UHFFFAOYSA-N 1 0 358.530 3.824 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](C[NH3+])C3CC3)cc2Cl)cc1 ZINC000414971998 941533867 /nfs/dbraw/zinc/53/38/67/941533867.db2.gz XCWIBEYCMHTTGI-QGZVFWFLSA-N 1 0 370.840 3.863 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415015884 941542873 /nfs/dbraw/zinc/54/28/73/941542873.db2.gz BMQDBCYCRXUBRL-IBGZPJMESA-N 1 0 350.422 3.518 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415030039 941553927 /nfs/dbraw/zinc/55/39/27/941553927.db2.gz BQAFISZVUIXNJU-RDJZCZTQSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415034320 941557284 /nfs/dbraw/zinc/55/72/84/941557284.db2.gz HPNSQVMGJDESMV-HOCLYGCPSA-N 1 0 350.422 3.552 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415060262 941571854 /nfs/dbraw/zinc/57/18/54/941571854.db2.gz JYKAODJLDFRUQK-WBVHZDCISA-N 1 0 364.449 3.860 20 30 FHEDRO Cc1ccc2nc(NC(=O)C[NH2+][C@@H](C)c3ccc(C#N)cc3)sc2c1 ZINC000549173485 941581598 /nfs/dbraw/zinc/58/15/98/941581598.db2.gz MEJBVDGDEHFHAC-ZDUSSCGKSA-N 1 0 350.447 3.766 20 30 FHEDRO COC(=O)c1ccc(OCC[NH2+][C@@H](C)c2ccc(C#N)cc2)c(Cl)c1 ZINC000549174110 941585342 /nfs/dbraw/zinc/58/53/42/941585342.db2.gz NGVPWSCMOIJCPX-ZDUSSCGKSA-N 1 0 358.825 3.728 20 30 FHEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000415128200 941622177 /nfs/dbraw/zinc/62/21/77/941622177.db2.gz RVKJMFICWGHDOJ-HNNXBMFYSA-N 1 0 374.391 3.544 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000415148769 941630142 /nfs/dbraw/zinc/63/01/42/941630142.db2.gz MEZUFBWUUORAMD-HOTGVXAUSA-N 1 0 350.422 3.742 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2)cc1 ZINC000415148771 941630388 /nfs/dbraw/zinc/63/03/88/941630388.db2.gz MEZUFBWUUORAMD-JKSUJKDBSA-N 1 0 350.422 3.742 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C[NH3+])C1 ZINC000415145044 941631862 /nfs/dbraw/zinc/63/18/62/941631862.db2.gz DDGCLKRTZLLECT-QAPCUYQASA-N 1 0 364.449 3.942 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCC3)cc2)c1 ZINC000415154564 941636536 /nfs/dbraw/zinc/63/65/36/941636536.db2.gz DVQYFGKYYHCDCS-FQEVSTJZSA-N 1 0 364.449 3.990 20 30 FHEDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415155114 941637425 /nfs/dbraw/zinc/63/74/25/941637425.db2.gz FEWYTTGFUIDWOQ-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@]1(C)C[NH3+] ZINC000415150950 941639747 /nfs/dbraw/zinc/63/97/47/941639747.db2.gz RMLKICYWQLUGFH-QVKFZJNVSA-N 1 0 364.449 3.799 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000415151691 941639857 /nfs/dbraw/zinc/63/98/57/941639857.db2.gz ATDDLNWUSMWLTE-ZBFHGGJFSA-N 1 0 354.479 3.902 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C[NH3+])C1 ZINC000415166188 941647983 /nfs/dbraw/zinc/64/79/83/941647983.db2.gz RCFRALYDBVNFDX-MAUKXSAKSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H](C[NH3+])C1 ZINC000415166189 941648156 /nfs/dbraw/zinc/64/81/56/941648156.db2.gz RCFRALYDBVNFDX-QAPCUYQASA-N 1 0 364.449 3.942 20 30 FHEDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415171202 941652336 /nfs/dbraw/zinc/65/23/36/941652336.db2.gz XJMOTKIUQGRXRY-KRWDZBQOSA-N 1 0 352.438 3.990 20 30 FHEDRO C=C(C)Cn1c(C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460385915 941658845 /nfs/dbraw/zinc/65/88/45/941658845.db2.gz HJXYWOCSKDMJQS-XLIONFOSSA-N 1 0 353.514 3.652 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@H](C)C[NH2+]1 ZINC000415239998 941695002 /nfs/dbraw/zinc/69/50/02/941695002.db2.gz PIFPMCFOBRKWNB-ZIAGYGMSSA-N 1 0 368.412 3.704 20 30 FHEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415241238 941696033 /nfs/dbraw/zinc/69/60/33/941696033.db2.gz RQFNYMRUQRCDDY-ZIAGYGMSSA-N 1 0 368.412 3.691 20 30 FHEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000729267090 941705432 /nfs/dbraw/zinc/70/54/32/941705432.db2.gz JCVZYGSKHSPCCC-IBGZPJMESA-N 1 0 350.418 3.697 20 30 FHEDRO N#CCOc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000729267946 941705537 /nfs/dbraw/zinc/70/55/37/941705537.db2.gz BCFOEXVKLVJZND-NRFANRHFSA-N 1 0 354.425 3.909 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)cc1C#N ZINC000415304013 941742378 /nfs/dbraw/zinc/74/23/78/941742378.db2.gz GRDKEYOABOUPNR-UHFFFAOYSA-N 1 0 366.465 3.728 20 30 FHEDRO C[C@@H](NC(=[NH2+])Nc1cccc2c1CCCC2)c1ccc([S@](C)=O)cc1 ZINC000261621795 941781085 /nfs/dbraw/zinc/78/10/85/941781085.db2.gz BKXJJDZGOHXVLL-PWECECGKSA-N 1 0 355.507 3.791 20 30 FHEDRO O=c1[nH]c2ccccc2cc1C=NCC1([NH+]2CCSCC2)CCCC1 ZINC000122561177 941797849 /nfs/dbraw/zinc/79/78/49/941797849.db2.gz OTOZMJMVHLQMHA-KGENOOAVSA-N 1 0 355.507 3.721 20 30 FHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549272775 941813239 /nfs/dbraw/zinc/81/32/39/941813239.db2.gz MLBNXLZTJRECPJ-ICSRJNTNSA-N 1 0 371.573 3.896 20 30 FHEDRO C=CCCC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000513325926 941848218 /nfs/dbraw/zinc/84/82/18/941848218.db2.gz WDNWZTZVTWYLTJ-UHFFFAOYSA-N 1 0 350.890 3.702 20 30 FHEDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000513380473 941877665 /nfs/dbraw/zinc/87/76/65/941877665.db2.gz IFOHTONDGRGAPQ-HXUWFJFHSA-N 1 0 366.461 3.879 20 30 FHEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1cc(F)ccc1F ZINC000262304178 941878986 /nfs/dbraw/zinc/87/89/86/941878986.db2.gz RBSGSYKXUOVXIK-UHFFFAOYSA-N 1 0 358.392 3.630 20 30 FHEDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415533616 941883980 /nfs/dbraw/zinc/88/39/80/941883980.db2.gz IIETVBOGBRJJAC-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000893016284 941885763 /nfs/dbraw/zinc/88/57/63/941885763.db2.gz WHBXOWRSRSASRU-YJBOKZPZSA-N 1 0 366.465 3.548 20 30 FHEDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000415539339 941886797 /nfs/dbraw/zinc/88/67/97/941886797.db2.gz VGNUBKHZOYBETR-HNNXBMFYSA-N 1 0 364.449 3.942 20 30 FHEDRO N#Cc1cc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1Oc1ccccc1 ZINC000415539257 941887233 /nfs/dbraw/zinc/88/72/33/941887233.db2.gz UWGDFVQFQDITIR-WBVHZDCISA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415536925 941889171 /nfs/dbraw/zinc/88/91/71/941889171.db2.gz ODAHCCNPSOQLCG-FQEVSTJZSA-N 1 0 350.422 3.553 20 30 FHEDRO N#Cc1cc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1Oc1ccccc1 ZINC000415536948 941889249 /nfs/dbraw/zinc/88/92/49/941889249.db2.gz ODZPKSHWBFKZDK-HOTGVXAUSA-N 1 0 350.422 3.742 20 30 FHEDRO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000513401279 941896285 /nfs/dbraw/zinc/89/62/85/941896285.db2.gz KXAFTOLKNAGEAA-GOSISDBHSA-N 1 0 352.434 3.619 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000513416900 941913252 /nfs/dbraw/zinc/91/32/52/941913252.db2.gz RLHSFXNKMDTGIG-AQZMIJIOSA-N 1 0 367.497 3.533 20 30 FHEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000415581666 941922925 /nfs/dbraw/zinc/92/29/25/941922925.db2.gz NXBMPYOMVPYHAQ-SFHVURJKSA-N 1 0 371.525 3.758 20 30 FHEDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926894691 941931813 /nfs/dbraw/zinc/93/18/13/941931813.db2.gz PFFBGACEIZOCTK-HOTGVXAUSA-N 1 0 367.534 3.709 20 30 FHEDRO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000366243313 941943211 /nfs/dbraw/zinc/94/32/11/941943211.db2.gz DYBDKRONPPRHQE-FGZHOGPDSA-N 1 0 361.420 3.847 20 30 FHEDRO N#Cc1ccc(C2(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)CCCC2)cc1 ZINC001143499492 941953194 /nfs/dbraw/zinc/95/31/94/941953194.db2.gz KUBFIHNNHGLTDP-OAQYLSRUSA-N 1 0 365.521 3.847 20 30 FHEDRO C=CCOCC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549330714 941975280 /nfs/dbraw/zinc/97/52/80/941975280.db2.gz ZXOMOTADEWSEMJ-WQHGSSGSSA-N 1 0 362.901 3.573 20 30 FHEDRO Cc1cccnc1[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000182877074 941977473 /nfs/dbraw/zinc/97/74/73/941977473.db2.gz YQRKWXKNMNVPFN-UXHICEINSA-N 1 0 362.477 3.744 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)o1 ZINC000377769928 941978618 /nfs/dbraw/zinc/97/86/18/941978618.db2.gz PIJNRKOUCXQVPA-UHFFFAOYSA-N 1 0 362.311 3.596 20 30 FHEDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1Cc1nc(C)c(C)o1)c1ccc(C#N)cc1 ZINC000377788851 941989962 /nfs/dbraw/zinc/98/99/62/941989962.db2.gz XIBGYILBRPLBPL-UFYCRDLUSA-N 1 0 370.472 3.816 20 30 FHEDRO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1 ZINC000434007285 942044952 /nfs/dbraw/zinc/04/49/52/942044952.db2.gz UOQOFJAVPAVGBF-UNMCSNQZSA-N 1 0 351.494 3.771 20 30 FHEDRO C=CCC[N@@H+](C)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000467290154 942048510 /nfs/dbraw/zinc/04/85/10/942048510.db2.gz PNPNGOKUIZILHR-FQEVSTJZSA-N 1 0 361.432 3.940 20 30 FHEDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2ncc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000513629600 942053879 /nfs/dbraw/zinc/05/38/79/942053879.db2.gz HUWODFUEHKMPPS-HUUCEWRRSA-N 1 0 370.884 3.828 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)C[NH2+]1 ZINC000415803533 942060412 /nfs/dbraw/zinc/06/04/12/942060412.db2.gz JSTYSYGNIRTCBK-CABCVRRESA-N 1 0 366.490 3.924 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415811795 942064150 /nfs/dbraw/zinc/06/41/50/942064150.db2.gz XVYTYGOBFSSAEQ-HOCLYGCPSA-N 1 0 366.490 3.910 20 30 FHEDRO C[N@H+](CCNC(=O)N[C@H](CCCC#N)c1ccccc1)Cc1ccccc1 ZINC000431855301 942093520 /nfs/dbraw/zinc/09/35/20/942093520.db2.gz AREWFIGPNQTAAU-OAQYLSRUSA-N 1 0 364.493 3.853 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCCO[C@H]2c2ccccc2)cc1OC ZINC000264108451 942129956 /nfs/dbraw/zinc/12/99/56/942129956.db2.gz QALUSZWQPNSHTP-UZLBHIALSA-N 1 0 369.465 3.598 20 30 FHEDRO CCC[N@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000047740824 942173638 /nfs/dbraw/zinc/17/36/38/942173638.db2.gz QBLYDGWPXGJWDJ-MRXNPFEDSA-N 1 0 353.441 3.787 20 30 FHEDRO N#CCCN(Cc1ccco1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415964212 942202555 /nfs/dbraw/zinc/20/25/55/942202555.db2.gz XDHKBRORDDNEGZ-UHFFFAOYSA-N 1 0 366.343 3.705 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)ccc1OC ZINC000182092088 942204367 /nfs/dbraw/zinc/20/43/67/942204367.db2.gz UZMLMBUUSFAVBQ-GOSISDBHSA-N 1 0 369.509 3.838 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000280699496 942231768 /nfs/dbraw/zinc/23/17/68/942231768.db2.gz SGGVZVIXTLILNX-UGKGYDQZSA-N 1 0 368.477 3.740 20 30 FHEDRO CC(C)c1ncc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000122804451 942236894 /nfs/dbraw/zinc/23/68/94/942236894.db2.gz ZODBYOYMXFGVIZ-UHFFFAOYSA-N 1 0 354.523 3.846 20 30 FHEDRO Cc1cccc(OCC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000502170390 942261877 /nfs/dbraw/zinc/26/18/77/942261877.db2.gz GHQCWADQUJRUQH-UHFFFAOYSA-N 1 0 363.461 3.596 20 30 FHEDRO CSc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000501019904 942265716 /nfs/dbraw/zinc/26/57/16/942265716.db2.gz JYTSSUXQEGHPLE-LIRRHRJNSA-N 1 0 351.475 3.736 20 30 FHEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000421009027 942290291 /nfs/dbraw/zinc/29/02/91/942290291.db2.gz BHXPNGRLSKVWFX-HXUWFJFHSA-N 1 0 368.502 3.600 20 30 FHEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000421009022 942290612 /nfs/dbraw/zinc/29/06/12/942290612.db2.gz BHXPNGRLSKVWFX-FQEVSTJZSA-N 1 0 368.502 3.600 20 30 FHEDRO Cn1cc(C[N@H+](C)C2CC(OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000421001041 942296997 /nfs/dbraw/zinc/29/69/97/942296997.db2.gz FFZNGEIGIPOEAY-UHFFFAOYSA-N 1 0 352.482 3.737 20 30 FHEDRO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)cc1OCCCC#N ZINC000414493384 942316274 /nfs/dbraw/zinc/31/62/74/942316274.db2.gz IPZJRMWVGYPVFI-KNQAVFIVSA-N 1 0 366.461 3.780 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502278405 942328562 /nfs/dbraw/zinc/32/85/62/942328562.db2.gz SOYNCOMGCHSEHL-OAQYLSRUSA-N 1 0 366.509 3.621 20 30 FHEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000421098954 942341972 /nfs/dbraw/zinc/34/19/72/942341972.db2.gz ZROZHHLJCXSKBF-GOSISDBHSA-N 1 0 364.449 3.908 20 30 FHEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775721 942342871 /nfs/dbraw/zinc/34/28/71/942342871.db2.gz WJIVOPQFCGBDOI-AUUYWEPGSA-N 1 0 372.875 3.746 20 30 FHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502319778 942351737 /nfs/dbraw/zinc/35/17/37/942351737.db2.gz PQBNXIHLZLTZDH-ROUUACIJSA-N 1 0 366.509 3.620 20 30 FHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C#N)cc1Cl ZINC000378181980 942359900 /nfs/dbraw/zinc/35/99/00/942359900.db2.gz GUJFSUQNUPGGKZ-AWEZNQCLSA-N 1 0 365.868 3.798 20 30 FHEDRO C[C@H]([NH2+]C1CCN(Cc2cscn2)CC1)c1ccc(C#N)cc1Cl ZINC000378183836 942363353 /nfs/dbraw/zinc/36/33/53/942363353.db2.gz PQIRAKLSPFLVEW-ZDUSSCGKSA-N 1 0 360.914 3.983 20 30 FHEDRO CC(C)(C#N)CCCC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511539414 942423780 /nfs/dbraw/zinc/42/37/80/942423780.db2.gz DSCZEQXDEGCFFJ-QGZVFWFLSA-N 1 0 353.304 3.966 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[N@@H+](CCO)C3CCCC3)c2)c1 ZINC000505284683 942447390 /nfs/dbraw/zinc/44/73/90/942447390.db2.gz XYMXXAXMKXWMBZ-UHFFFAOYSA-N 1 0 350.462 3.874 20 30 FHEDRO C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)[NH+]1CCCCCC1 ZINC000505337315 942476541 /nfs/dbraw/zinc/47/65/41/942476541.db2.gz GWKPSYBDMBFULX-WFASDCNBSA-N 1 0 354.281 3.939 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1F ZINC000421328454 942486107 /nfs/dbraw/zinc/48/61/07/942486107.db2.gz SNIDDTUDYQGYKF-HXUWFJFHSA-N 1 0 373.859 3.514 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(C#N)s2)cc(OC)c1OCC(F)F ZINC000421349676 942501359 /nfs/dbraw/zinc/50/13/59/942501359.db2.gz JGJDWGRNPGVRRI-UHFFFAOYSA-N 1 0 368.405 3.571 20 30 FHEDRO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502530318 942504098 /nfs/dbraw/zinc/50/40/98/942504098.db2.gz QCKRTFXIWGKTCD-QFIPXVFZSA-N 1 0 362.473 3.704 20 30 FHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(C#N)c(F)c1 ZINC000421356830 942506144 /nfs/dbraw/zinc/50/61/44/942506144.db2.gz MCVZHKDIAXQPLH-FQEVSTJZSA-N 1 0 352.457 3.579 20 30 FHEDRO COc1ccc(NC(=O)CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502516733 942509735 /nfs/dbraw/zinc/50/97/35/942509735.db2.gz NZWIYCPAFINSDS-UHFFFAOYSA-N 1 0 361.445 3.685 20 30 FHEDRO C=CCC1(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)CCOCC1 ZINC000425035002 942512044 /nfs/dbraw/zinc/51/20/44/942512044.db2.gz HCCOPUMZIWLOOF-UHFFFAOYSA-N 1 0 363.527 3.611 20 30 FHEDRO COc1ccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1C#N ZINC000502545276 942522004 /nfs/dbraw/zinc/52/20/04/942522004.db2.gz UNTURJZJIXEYIS-UHFFFAOYSA-N 1 0 365.260 3.868 20 30 FHEDRO C[C@@H](c1ccccc1)N(C)C(=O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502554097 942536843 /nfs/dbraw/zinc/53/68/43/942536843.db2.gz OWRZJRCVNINULS-SFHVURJKSA-N 1 0 359.473 3.867 20 30 FHEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(OCC#N)cc1 ZINC000181487686 942556600 /nfs/dbraw/zinc/55/66/00/942556600.db2.gz OIUJWRWJLLOXGZ-SFHVURJKSA-N 1 0 350.462 3.988 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(OCC#N)cc1 ZINC000181879967 942633789 /nfs/dbraw/zinc/63/37/89/942633789.db2.gz XDHHWLDHAZYYKP-GDBMZVCRSA-N 1 0 357.404 3.797 20 30 FHEDRO CCn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000048238900 942644292 /nfs/dbraw/zinc/64/42/92/942644292.db2.gz XQVRIHGDZGLECP-UHFFFAOYSA-N 1 0 374.488 3.737 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000414535134 942684677 /nfs/dbraw/zinc/68/46/77/942684677.db2.gz KVRSPOVSAPLTMR-PXNSSMCTSA-N 1 0 357.519 3.971 20 30 FHEDRO C=CCC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000434473605 942691894 /nfs/dbraw/zinc/69/18/94/942691894.db2.gz HCRBTXWKOSNKDY-CJNGLKHVSA-N 1 0 361.429 3.737 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](CC(F)(F)F)C1)C(C)C ZINC000434478413 942701909 /nfs/dbraw/zinc/70/19/09/942701909.db2.gz UOCHMQYXYBVYPB-CVEARBPZSA-N 1 0 361.452 3.669 20 30 FHEDRO C[C@H]([NH2+]C1(CNc2ncc(C#N)cc2Cl)CCOCC1)c1ccccc1 ZINC000514081054 942731796 /nfs/dbraw/zinc/73/17/96/942731796.db2.gz AKLFQQTZHMMRQZ-HNNXBMFYSA-N 1 0 370.884 3.919 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000378425182 942750316 /nfs/dbraw/zinc/75/03/16/942750316.db2.gz SRMUKWGAOREJQB-SFTDATJTSA-N 1 0 374.488 3.651 20 30 FHEDRO C=CCN(C(=O)N[C@@H](C)c1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363821189 942753548 /nfs/dbraw/zinc/75/35/48/942753548.db2.gz LTXDIMRUTPGNRF-GHTZIAJQSA-N 1 0 364.493 3.615 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCCCOCCc2ccccc2)O1 ZINC000378452275 942785972 /nfs/dbraw/zinc/78/59/72/942785972.db2.gz LFKJRTATDGCFAF-YUMYIRISSA-N 1 0 356.510 3.855 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)O1 ZINC000378453929 942786995 /nfs/dbraw/zinc/78/69/95/942786995.db2.gz OQWGAEYHGMPSNG-MKXGPGLRSA-N 1 0 362.395 3.886 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@@H](c2ccccc2)N2CCCC2)O1 ZINC000378457428 942790875 /nfs/dbraw/zinc/79/08/75/942790875.db2.gz VPNJOUIUVFQTGL-CSEOROSGSA-N 1 0 353.510 3.653 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000514181878 942791164 /nfs/dbraw/zinc/79/11/64/942791164.db2.gz GBCGKMUKGNGICL-UHFFFAOYSA-N 1 0 366.421 3.553 20 30 FHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1F ZINC000378459648 942792199 /nfs/dbraw/zinc/79/21/99/942792199.db2.gz GOOJQYSDCWZLFX-LHSJRXKWSA-N 1 0 364.424 3.576 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000514176375 942802540 /nfs/dbraw/zinc/80/25/40/942802540.db2.gz OUJYIUULDYIFGV-UHFFFAOYSA-N 1 0 368.437 3.799 20 30 FHEDRO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000502858869 942803005 /nfs/dbraw/zinc/80/30/05/942803005.db2.gz JBJFZIUJMLZHLT-FQEVSTJZSA-N 1 0 368.502 3.624 20 30 FHEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000378475755 942805088 /nfs/dbraw/zinc/80/50/88/942805088.db2.gz PFZWUAXFSOTJLI-QMMLZNLJSA-N 1 0 357.498 3.670 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2Nc2cccc(C[NH+]3CCSCC3)c2)O1 ZINC000378472157 942806854 /nfs/dbraw/zinc/80/68/54/942806854.db2.gz GKZNYDVLAYSCDS-CGXNFDGLSA-N 1 0 371.550 3.887 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2Nc2cccc(C[NH+]3CCSCC3)c2)O1 ZINC000378472159 942807772 /nfs/dbraw/zinc/80/77/72/942807772.db2.gz GKZNYDVLAYSCDS-NCYKPQTJSA-N 1 0 371.550 3.887 20 30 FHEDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccccc1-c1ccccc1C#N)CC2 ZINC000378515020 942849193 /nfs/dbraw/zinc/84/91/93/942849193.db2.gz LEDPIJJUISFXII-UHFFFAOYSA-N 1 0 359.473 3.926 20 30 FHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000378528360 942865395 /nfs/dbraw/zinc/86/53/95/942865395.db2.gz SUAYQCIOXUPHNU-JXFKEZNVSA-N 1 0 369.852 3.518 20 30 FHEDRO C=CCC[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccco1 ZINC000513762663 942904959 /nfs/dbraw/zinc/90/49/59/942904959.db2.gz RWILNLKJUTVLRE-INIZCTEOSA-N 1 0 359.470 3.521 20 30 FHEDRO C=CCC[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccco1 ZINC000513762664 942905039 /nfs/dbraw/zinc/90/50/39/942905039.db2.gz RWILNLKJUTVLRE-MRXNPFEDSA-N 1 0 359.470 3.521 20 30 FHEDRO COc1ccc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1OCCCC#N ZINC000430120680 942925605 /nfs/dbraw/zinc/92/56/05/942925605.db2.gz FRVNRGWAYZOLPA-CMKODMSKSA-N 1 0 371.525 3.540 20 30 FHEDRO COC[C@]1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CCCN1C(=O)OC(C)(C)C ZINC000312234697 942927111 /nfs/dbraw/zinc/92/71/11/942927111.db2.gz ADVXJZXSCUWLMC-HRAATJIYSA-N 1 0 373.497 3.625 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ncccn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000378621388 942963279 /nfs/dbraw/zinc/96/32/79/942963279.db2.gz JHZKJUUAJNZPEW-CVEARBPZSA-N 1 0 371.444 3.693 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1 ZINC000509962562 942975818 /nfs/dbraw/zinc/97/58/18/942975818.db2.gz FRGXQZABXOZEDB-NRFANRHFSA-N 1 0 364.489 3.575 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000434813768 942980129 /nfs/dbraw/zinc/98/01/29/942980129.db2.gz IZSRIBGJYHNFGJ-OAQYLSRUSA-N 1 0 363.461 3.568 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000434813767 942980553 /nfs/dbraw/zinc/98/05/53/942980553.db2.gz IZSRIBGJYHNFGJ-NRFANRHFSA-N 1 0 363.461 3.568 20 30 FHEDRO CC(C)[N@@H+]1CCc2nc(CNc3ccccc3O[C@@H](C)C#N)sc2C1 ZINC000378653326 943002331 /nfs/dbraw/zinc/00/23/31/943002331.db2.gz VXUWADVOPRKUFY-AWEZNQCLSA-N 1 0 356.495 3.813 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425231942 943028281 /nfs/dbraw/zinc/02/82/81/943028281.db2.gz VFZRWKUKWSAIJG-UHFFFAOYSA-N 1 0 364.449 3.815 20 30 FHEDRO COCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000434896136 943033920 /nfs/dbraw/zinc/03/39/20/943033920.db2.gz OTYUUDVEUTYILU-KRWDZBQOSA-N 1 0 351.450 3.596 20 30 FHEDRO C[C@]1(CCc2ccccc2)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000434907797 943044658 /nfs/dbraw/zinc/04/46/58/943044658.db2.gz UDEKBHWOTNJYNJ-QHCPKHFHSA-N 1 0 361.489 3.519 20 30 FHEDRO C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N(C)Cc1c(F)cccc1Cl ZINC000261868164 943065679 /nfs/dbraw/zinc/06/56/79/943065679.db2.gz NVWQUGNOZADFQV-NSHDSACASA-N 1 0 366.868 3.895 20 30 FHEDRO COCC[N@H+](C)CC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 ZINC000505582999 943081750 /nfs/dbraw/zinc/08/17/50/943081750.db2.gz XVFREDTYVOINQD-FQEVSTJZSA-N 1 0 368.437 3.588 20 30 FHEDRO C[NH+](C)CCCOc1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 ZINC000435005862 943096698 /nfs/dbraw/zinc/09/66/98/943096698.db2.gz SAVZENURXKMACP-UHFFFAOYSA-N 1 0 363.461 3.559 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)CC2)c1 ZINC000435007369 943096849 /nfs/dbraw/zinc/09/68/49/943096849.db2.gz GYQFSODTQBGHLL-OAQYLSRUSA-N 1 0 365.521 3.751 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(CC)nc3onc(CCC)c32)CC1 ZINC000503310085 943110409 /nfs/dbraw/zinc/11/04/09/943110409.db2.gz IWFJYFQYEWEAIV-UHFFFAOYSA-N 1 0 370.497 3.508 20 30 FHEDRO Cc1ccc([C@H]2CCCN2[C@H]2CCN(c3sccc3C#N)C2=O)s1 ZINC000435066804 943139192 /nfs/dbraw/zinc/13/91/92/943139192.db2.gz PDUUINNPISIFDV-CABCVRRESA-N 1 0 357.504 3.932 20 30 FHEDRO CC(C)(CC[NH3+])NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000422567161 943185180 /nfs/dbraw/zinc/18/51/80/943185180.db2.gz WDOSADIKHHKQAQ-UHFFFAOYSA-N 1 0 354.479 3.958 20 30 FHEDRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000047955942 943190152 /nfs/dbraw/zinc/19/01/52/943190152.db2.gz CGCPCIOMZPUZFJ-KRWDZBQOSA-N 1 0 362.477 3.583 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH2+]CCc2cn(C)c3cc(F)ccc23)cc1 ZINC000185748427 943217333 /nfs/dbraw/zinc/21/73/33/943217333.db2.gz QKIJZLZEHJRIPR-UHFFFAOYSA-N 1 0 364.468 4.000 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(F)cc2C#N)c1 ZINC000435164020 943224728 /nfs/dbraw/zinc/22/47/28/943224728.db2.gz GHCQTZGRPSXYTR-UHFFFAOYSA-N 1 0 354.429 3.861 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 ZINC000435184439 943235299 /nfs/dbraw/zinc/23/52/99/943235299.db2.gz SECOUDYIULFAIG-SFTDATJTSA-N 1 0 371.525 3.635 20 30 FHEDRO N#CC1(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CCC1 ZINC000272998793 943258343 /nfs/dbraw/zinc/25/83/43/943258343.db2.gz GZADSBAPLOWNFY-UHFFFAOYSA-N 1 0 366.292 3.768 20 30 FHEDRO C=CCn1c(SCC[N@H+]2C[C@H](C)C[C@H](C)C2)nnc1-c1cccnc1 ZINC000514734872 943261887 /nfs/dbraw/zinc/26/18/87/943261887.db2.gz PCFQCZQTPNEIRN-IYBDPMFKSA-N 1 0 357.527 3.596 20 30 FHEDRO N#CCCC[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000431914275 943267615 /nfs/dbraw/zinc/26/76/15/943267615.db2.gz QDWIKNIYKMDPIF-PMACEKPBSA-N 1 0 354.498 3.738 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCc4cccnc4CC3)C2)c(F)c1 ZINC000514787634 943290254 /nfs/dbraw/zinc/29/02/54/943290254.db2.gz SJSKEWYPVUWYQB-MOPGFXCFSA-N 1 0 364.468 3.598 20 30 FHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431918804 943332419 /nfs/dbraw/zinc/33/24/19/943332419.db2.gz MCCOZRUZRGJHGV-NSHGMRRFSA-N 1 0 356.514 3.984 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000503696693 943338478 /nfs/dbraw/zinc/33/84/78/943338478.db2.gz CFNGEOSRPLFEHI-UHFFFAOYSA-N 1 0 353.853 3.737 20 30 FHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1CCC(C#N)CC1)[NH+](C)C ZINC000503919570 943407922 /nfs/dbraw/zinc/40/79/22/943407922.db2.gz GVGRNKUVENZGMV-CKVGWXAMSA-N 1 0 356.514 3.615 20 30 FHEDRO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1nc(C#N)cs1 ZINC000514975093 943427823 /nfs/dbraw/zinc/42/78/23/943427823.db2.gz BCJUIBCHUBKLAB-SFHVURJKSA-N 1 0 354.523 3.577 20 30 FHEDRO Cn1cc(C[NH2+]CCc2cc(F)c(F)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000503947634 943430586 /nfs/dbraw/zinc/43/05/86/943430586.db2.gz SLXQQTHCCIFVMR-UHFFFAOYSA-N 1 0 370.378 3.708 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000435502341 943458598 /nfs/dbraw/zinc/45/85/98/943458598.db2.gz QTYUSUFHIPZLQC-MOPGFXCFSA-N 1 0 365.562 3.652 20 30 FHEDRO C=CCC(C)(C)C(=O)N1CC2(CCN2CCc2c[nH]c3ccccc23)C1 ZINC001269976997 943469574 /nfs/dbraw/zinc/46/95/74/943469574.db2.gz GEIMNCOWVRGGDL-UHFFFAOYSA-N 1 0 351.494 3.599 20 30 FHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435666097 943534897 /nfs/dbraw/zinc/53/48/97/943534897.db2.gz ZARMMWKOJDVVJK-KRWDZBQOSA-N 1 0 352.482 3.549 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000435675445 943554874 /nfs/dbraw/zinc/55/48/74/943554874.db2.gz VWQIQDKGIWRILQ-BDTNDASRSA-N 1 0 364.489 3.615 20 30 FHEDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417395726 943570793 /nfs/dbraw/zinc/57/07/93/943570793.db2.gz WOMBQCBNXBZSSH-DNVCBOLYSA-N 1 0 363.461 3.951 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435742694 943592875 /nfs/dbraw/zinc/59/28/75/943592875.db2.gz WRNNEIOHKBEUFV-YOEHRIQHSA-N 1 0 359.451 3.789 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000504433012 943630798 /nfs/dbraw/zinc/63/07/98/943630798.db2.gz DFPLPHWIGYGCQG-LJQANCHMSA-N 1 0 370.541 3.916 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000504521566 943654139 /nfs/dbraw/zinc/65/41/39/943654139.db2.gz MWQBZDCFVNLFKY-GOSISDBHSA-N 1 0 356.510 3.539 20 30 FHEDRO N#Cc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000504541808 943666134 /nfs/dbraw/zinc/66/61/34/943666134.db2.gz KNGNYDQGSSZOPQ-SFHVURJKSA-N 1 0 355.388 3.654 20 30 FHEDRO CCCOc1ccc(-c2csc(NC(=O)[C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000424073414 943709525 /nfs/dbraw/zinc/70/95/25/943709525.db2.gz FNEADQNULIREHE-HNNXBMFYSA-N 1 0 358.467 3.559 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000424078031 943712251 /nfs/dbraw/zinc/71/22/51/943712251.db2.gz OZQFDHXZPHWFNV-NSHDSACASA-N 1 0 353.266 3.684 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000424111999 943736775 /nfs/dbraw/zinc/73/67/75/943736775.db2.gz HWIYDYSRUPZKFX-HZPDHXFCSA-N 1 0 353.388 3.780 20 30 FHEDRO CC(C)Oc1ccc(-c2csc(NC(=O)[C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000424112220 943737447 /nfs/dbraw/zinc/73/74/47/943737447.db2.gz INJQTHZNQYEZQZ-HNNXBMFYSA-N 1 0 358.467 3.557 20 30 FHEDRO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000424114424 943738373 /nfs/dbraw/zinc/73/83/73/943738373.db2.gz RCICTPRGRNOWHP-QRWLVFNGSA-N 1 0 369.440 3.603 20 30 FHEDRO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000424114422 943738515 /nfs/dbraw/zinc/73/85/15/943738515.db2.gz RCICTPRGRNOWHP-MGPUTAFESA-N 1 0 369.440 3.603 20 30 FHEDRO COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424117034 943740415 /nfs/dbraw/zinc/74/04/15/943740415.db2.gz CFGQZQLJZWXYAD-HNAYVOBHSA-N 1 0 351.450 3.561 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000424140449 943748422 /nfs/dbraw/zinc/74/84/22/943748422.db2.gz OGLPBFJXRRXBPD-HXUWFJFHSA-N 1 0 363.461 3.566 20 30 FHEDRO COc1ccc([C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2Cl)cc1 ZINC000424130585 943756769 /nfs/dbraw/zinc/75/67/69/943756769.db2.gz UAJURJRPNFXLRN-OALUTQOASA-N 1 0 371.868 3.575 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000424178763 943762541 /nfs/dbraw/zinc/76/25/41/943762541.db2.gz XHAAGGFCUVDJGW-OAHLLOKOSA-N 1 0 354.281 3.552 20 30 FHEDRO Cn1cc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c(C(F)(F)F)n1 ZINC000516859634 943772554 /nfs/dbraw/zinc/77/25/54/943772554.db2.gz DVYSGKUFLJQKEH-UHFFFAOYSA-N 1 0 362.277 3.619 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000424173272 943774399 /nfs/dbraw/zinc/77/43/99/943774399.db2.gz MRFVSZVAIYEKHZ-LPHOPBHVSA-N 1 0 371.506 3.817 20 30 FHEDRO CC(C)N1CC[C@H](Nc2cc(C#N)ncn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000515298306 943782659 /nfs/dbraw/zinc/78/26/59/943782659.db2.gz JAEQHOZOUSUSRU-FUHWJXTLSA-N 1 0 359.836 3.777 20 30 FHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000424248379 943804343 /nfs/dbraw/zinc/80/43/43/943804343.db2.gz OCZGIQYTGNZFMC-KRWDZBQOSA-N 1 0 365.591 3.977 20 30 FHEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)oc32)C[C@H]1C ZINC001105119796 943814237 /nfs/dbraw/zinc/81/42/37/943814237.db2.gz BSBJSWKKAPQCHS-OWCLPIDISA-N 1 0 371.481 3.576 20 30 FHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC000584869552 943825170 /nfs/dbraw/zinc/82/51/70/943825170.db2.gz NFMSRCDZENTTPX-RBUKOAKNSA-N 1 0 357.498 3.802 20 30 FHEDRO Cc1cccc(N2CC[NH+](CCCNc3nc(C)cc(C)c3C#N)CC2)c1 ZINC000506056959 943840079 /nfs/dbraw/zinc/84/00/79/943840079.db2.gz QRSCEKNJRPOFRP-UHFFFAOYSA-N 1 0 363.509 3.503 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000437478822 943847089 /nfs/dbraw/zinc/84/70/89/943847089.db2.gz CMVKRAPPSMOZKY-CABCVRRESA-N 1 0 361.452 3.695 20 30 FHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2(c3cccc(C#N)c3)CC2)c1 ZINC000435915042 943853049 /nfs/dbraw/zinc/85/30/49/943853049.db2.gz PEIJWDUJADDQHU-UHFFFAOYSA-N 1 0 361.489 3.746 20 30 FHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(C)cc1C ZINC000515410840 943858077 /nfs/dbraw/zinc/85/80/77/943858077.db2.gz BCGDGBSZQZCCMK-OAQYLSRUSA-N 1 0 352.478 3.827 20 30 FHEDRO CC1(C)CC[C@@H]2C[C@@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)c3cccc1c32 ZINC000516971268 943872643 /nfs/dbraw/zinc/87/26/43/943872643.db2.gz QWYSRRVHZLSHGH-DNVCBOLYSA-N 1 0 357.461 3.991 20 30 FHEDRO Cc1ccc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000516980740 943881001 /nfs/dbraw/zinc/88/10/01/943881001.db2.gz BMOKBPSGKYMNJA-UHFFFAOYSA-N 1 0 369.468 3.635 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000425435502 943915560 /nfs/dbraw/zinc/91/55/60/943915560.db2.gz SVHBTTHYPGDIPI-QGZVFWFLSA-N 1 0 368.525 3.915 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000424464915 943933088 /nfs/dbraw/zinc/93/30/88/943933088.db2.gz QZPVGUJPKGHZQS-IWMITWMQSA-N 1 0 362.477 3.855 20 30 FHEDRO C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000425438382 943936925 /nfs/dbraw/zinc/93/69/25/943936925.db2.gz ANYAUPWTSVWPNY-MSOLQXFVSA-N 1 0 364.493 3.781 20 30 FHEDRO Cc1ccc2cc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)ccc2n1 ZINC000437595277 943937953 /nfs/dbraw/zinc/93/79/53/943937953.db2.gz YLXVVFYDOGMZRL-UHFFFAOYSA-N 1 0 356.473 3.733 20 30 FHEDRO N#Cc1cccc(OC2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000515491656 943938397 /nfs/dbraw/zinc/93/83/97/943938397.db2.gz JRQGKQYQKVUDLB-NRFANRHFSA-N 1 0 361.489 3.676 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000425454471 943994349 /nfs/dbraw/zinc/99/43/49/943994349.db2.gz RVFRKXDLKZNOGR-HNNXBMFYSA-N 1 0 368.456 3.662 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000505038306 943994800 /nfs/dbraw/zinc/99/48/00/943994800.db2.gz ICNCXHPKXWNJSK-IBGZPJMESA-N 1 0 359.514 3.770 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC[N@@H+](Cc3ccc(Cl)cc3)CC1)CCC2 ZINC000515541524 943995082 /nfs/dbraw/zinc/99/50/82/943995082.db2.gz XEJFTEZTTVXBQN-UHFFFAOYSA-N 1 0 366.896 3.808 20 30 FHEDRO CC[N@H+](CCC1CCN(C(=O)c2ccccc2CC#N)CC1)CC1CC1 ZINC000601403454 943999349 /nfs/dbraw/zinc/99/93/49/943999349.db2.gz IGDJZRSDHHHAMS-UHFFFAOYSA-N 1 0 353.510 3.727 20 30 FHEDRO CCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000425853225 944011744 /nfs/dbraw/zinc/01/17/44/944011744.db2.gz VSESPJCCYDTLGC-BWPNAZKDSA-N 1 0 354.498 3.546 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425464854 944014868 /nfs/dbraw/zinc/01/48/68/944014868.db2.gz AFIUOHHEQLGTJV-YLJYHZDGSA-N 1 0 356.514 3.771 20 30 FHEDRO C=CCC1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CCOCC1 ZINC000424626966 944017937 /nfs/dbraw/zinc/01/79/37/944017937.db2.gz NEAKJOLFVGKYIA-FQEVSTJZSA-N 1 0 356.510 3.621 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C#N)oc1C)c1ccccc1Cl ZINC000436092633 944024611 /nfs/dbraw/zinc/02/46/11/944024611.db2.gz XGRLPANKAOCJLW-SFHVURJKSA-N 1 0 359.857 3.926 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000436094939 944026870 /nfs/dbraw/zinc/02/68/70/944026870.db2.gz YCZDTIYERXTJFM-MRXNPFEDSA-N 1 0 365.355 3.511 20 30 FHEDRO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417979654 944033765 /nfs/dbraw/zinc/03/37/65/944033765.db2.gz HYBYUJYWKBDRON-INIZCTEOSA-N 1 0 350.466 3.542 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417985031 944038280 /nfs/dbraw/zinc/03/82/80/944038280.db2.gz DVRIXIZUMIPOMM-QYWGDWMGSA-N 1 0 362.477 3.583 20 30 FHEDRO CCC[NH2+]CCNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990757 944039692 /nfs/dbraw/zinc/03/96/92/944039692.db2.gz KSMQEHTVBJOBTD-MRXNPFEDSA-N 1 0 350.466 3.585 20 30 FHEDRO C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990240 944046247 /nfs/dbraw/zinc/04/62/47/944046247.db2.gz KDHMGQMIOYJFAJ-IKGGRYGDSA-N 1 0 362.477 3.678 20 30 FHEDRO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000424686112 944046564 /nfs/dbraw/zinc/04/65/64/944046564.db2.gz ULCXJTWMOMSMDZ-CTNGQTDRSA-N 1 0 370.537 3.871 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001317 944048971 /nfs/dbraw/zinc/04/89/71/944048971.db2.gz WWZFHBHYDGIMCJ-XFQAVAEZSA-N 1 0 362.477 3.726 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000436138920 944051074 /nfs/dbraw/zinc/05/10/74/944051074.db2.gz YXKHGVCRIAXGFX-HXUWFJFHSA-N 1 0 365.477 3.663 20 30 FHEDRO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000424678135 944058467 /nfs/dbraw/zinc/05/84/67/944058467.db2.gz BHQLGZVYAGFTLN-AEFFLSMTSA-N 1 0 362.539 3.620 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)CCOCC1 ZINC000424699906 944073585 /nfs/dbraw/zinc/07/35/85/944073585.db2.gz DQKWVINOXOIDSO-SFHVURJKSA-N 1 0 372.509 3.719 20 30 FHEDRO C=CCC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000500092183 944083907 /nfs/dbraw/zinc/08/39/07/944083907.db2.gz VGMZVKWKIBMHBU-BBRMVZONSA-N 1 0 357.420 3.962 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)c(F)c1 ZINC000418038153 944086389 /nfs/dbraw/zinc/08/63/89/944086389.db2.gz YEJSWBMIESSMOF-FCEWJHQRSA-N 1 0 363.452 3.613 20 30 FHEDRO CCC1(Cc2ccccc2)CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000515649507 944092018 /nfs/dbraw/zinc/09/20/18/944092018.db2.gz BLHJUOBZSXPUTI-UHFFFAOYSA-N 1 0 359.477 3.836 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000660336935 944099543 /nfs/dbraw/zinc/09/95/43/944099543.db2.gz QCGWCBVGBQBAIT-OYRHEFFESA-N 1 0 353.510 3.586 20 30 FHEDRO C=CCC1(C(=O)N2CCC(CCC[NH+](CC)CC)CC2)CCOCC1 ZINC000424768241 944106711 /nfs/dbraw/zinc/10/67/11/944106711.db2.gz XEIIGILSIZLRQI-UHFFFAOYSA-N 1 0 350.547 3.720 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC000437832847 944143554 /nfs/dbraw/zinc/14/35/54/944143554.db2.gz ISGOYOOTUPHKAD-IBGZPJMESA-N 1 0 372.509 3.787 20 30 FHEDRO C=C(C)[C@H](CC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)cc1)OCC ZINC000756559274 944144527 /nfs/dbraw/zinc/14/45/27/944144527.db2.gz XVHJUARHGDZDBL-HFSMHLIXSA-N 1 0 361.482 3.603 20 30 FHEDRO N#CCSc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000437837577 944169893 /nfs/dbraw/zinc/16/98/93/944169893.db2.gz JPQXWHYAHVYHBL-GOSISDBHSA-N 1 0 357.523 3.829 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000515736155 944173904 /nfs/dbraw/zinc/17/39/04/944173904.db2.gz SMSYQRQILVZEMR-IBGZPJMESA-N 1 0 357.542 3.940 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000436314798 944193852 /nfs/dbraw/zinc/19/38/52/944193852.db2.gz ZGICOBQVVQILMV-GUXCAODWSA-N 1 0 364.917 3.648 20 30 FHEDRO COc1ccc(C[NH2+][C@@H]2C[C@H](CO)c3ccccc32)cc1OCCCC#N ZINC000364272832 944196995 /nfs/dbraw/zinc/19/69/95/944196995.db2.gz SDHSXOAAULBNES-YLJYHZDGSA-N 1 0 366.461 3.688 20 30 FHEDRO Cc1c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(=O)n(-c2ccccc2)n1C ZINC000418144146 944197015 /nfs/dbraw/zinc/19/70/15/944197015.db2.gz JRGZODBZKPEEMN-QFIPXVFZSA-N 1 0 372.472 3.523 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000517304351 944198218 /nfs/dbraw/zinc/19/82/18/944198218.db2.gz KKYRSYXNSKPAHR-KRWDZBQOSA-N 1 0 358.526 3.908 20 30 FHEDRO CC(C)[N@@H+]1CCc2nc(CN[C@@H]3CCCc4cc(C#N)ccc43)sc2C1 ZINC000418143211 944206215 /nfs/dbraw/zinc/20/62/15/944206215.db2.gz ICVAMXUXEOFJFO-GOSISDBHSA-N 1 0 366.534 3.948 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)c2ccccc2Cl)CC1 ZINC000517319149 944207476 /nfs/dbraw/zinc/20/74/76/944207476.db2.gz RYZHJDHKTGNCGT-UHFFFAOYSA-N 1 0 363.933 3.957 20 30 FHEDRO C[C@@]1(c2ccccc2)CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000500186181 944225641 /nfs/dbraw/zinc/22/56/41/944225641.db2.gz PSNTYYDRIAPHKC-JTHBVZDNSA-N 1 0 359.473 3.717 20 30 FHEDRO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000500188885 944230267 /nfs/dbraw/zinc/23/02/67/944230267.db2.gz SOMFDTHXYHSSTM-QHCPKHFHSA-N 1 0 361.489 3.987 20 30 FHEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000500188459 944231308 /nfs/dbraw/zinc/23/13/08/944231308.db2.gz SOMFDTHXYHSSTM-HSZRJFAPSA-N 1 0 361.489 3.987 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000473702875 944255734 /nfs/dbraw/zinc/25/57/34/944255734.db2.gz XHMCCKHPPPBUQB-QFIPXVFZSA-N 1 0 358.526 3.764 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415165394 944256916 /nfs/dbraw/zinc/25/69/16/944256916.db2.gz QIKDOCMLIPEYTQ-UGUYLWEFSA-N 1 0 358.511 3.529 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000425529714 944262637 /nfs/dbraw/zinc/26/26/37/944262637.db2.gz CPCOJABRBLBROF-DNVCBOLYSA-N 1 0 358.869 3.782 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000437982949 944267386 /nfs/dbraw/zinc/26/73/86/944267386.db2.gz GMWFKPGZDUGCPS-LEWJYISDSA-N 1 0 373.541 3.521 20 30 FHEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000500214971 944277773 /nfs/dbraw/zinc/27/77/73/944277773.db2.gz ACEQCEUIOLGRKJ-IFMALSPDSA-N 1 0 359.473 3.618 20 30 FHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(C#N)n1 ZINC000092696325 944311758 /nfs/dbraw/zinc/31/17/58/944311758.db2.gz JGBYVJVWBUVKLK-UHFFFAOYSA-N 1 0 355.873 3.745 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000140035765 944313643 /nfs/dbraw/zinc/31/36/43/944313643.db2.gz FGFANMFIRIAYCK-KRWDZBQOSA-N 1 0 370.518 3.955 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(C(=O)OC)cc2)ccc1OC ZINC000515918679 944342833 /nfs/dbraw/zinc/34/28/33/944342833.db2.gz PVNACKGTFRVVAV-UHFFFAOYSA-N 1 0 355.434 3.727 20 30 FHEDRO COCCN(Cc1[nH+]c(C(C)C)n2ccccc12)Cc1ccc(C#N)cc1 ZINC000566624898 944375380 /nfs/dbraw/zinc/37/53/80/944375380.db2.gz PECKWAGEYBIWBD-UHFFFAOYSA-N 1 0 362.477 3.978 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCCC[NH+]3CCCC3)cc2)c1 ZINC000517530667 944377534 /nfs/dbraw/zinc/37/75/34/944377534.db2.gz WRBIYXAVXDPCIT-UHFFFAOYSA-N 1 0 364.449 3.958 20 30 FHEDRO C=C(C)CN1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000517559651 944392018 /nfs/dbraw/zinc/39/20/18/944392018.db2.gz LGPNVBAVGHNADI-UHFFFAOYSA-N 1 0 350.890 3.631 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000506499692 944393291 /nfs/dbraw/zinc/39/32/91/944393291.db2.gz NHRBTVLCPABTMM-INIZCTEOSA-N 1 0 359.489 3.746 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000517574127 944398809 /nfs/dbraw/zinc/39/88/09/944398809.db2.gz GWQOQJSPRUXJHN-GOSISDBHSA-N 1 0 370.497 3.733 20 30 FHEDRO CC(C)[NH+](CCN(C)Cc1ccc(C#N)cc1Br)C(C)C ZINC000505845578 944415280 /nfs/dbraw/zinc/41/52/80/944415280.db2.gz MZZZHVBVRDJSRH-UHFFFAOYSA-N 1 0 352.320 3.871 20 30 FHEDRO CC1CC[NH+](CCCCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000506508713 944419378 /nfs/dbraw/zinc/41/93/78/944419378.db2.gz CBVOCKNMEMECPX-UHFFFAOYSA-N 1 0 359.489 3.603 20 30 FHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000506510839 944432705 /nfs/dbraw/zinc/43/27/05/944432705.db2.gz LUYPNWIZEKRWLH-MRXNPFEDSA-N 1 0 359.489 3.603 20 30 FHEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000418348940 944447706 /nfs/dbraw/zinc/44/77/06/944447706.db2.gz JLBWIYLSOHEYAV-HXUWFJFHSA-N 1 0 350.466 3.523 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(OCC#N)c1)c1ccsc1 ZINC000048510621 944471045 /nfs/dbraw/zinc/47/10/45/944471045.db2.gz GREBJZZUVNLACD-GOSISDBHSA-N 1 0 372.494 3.855 20 30 FHEDRO C[NH+](C)CCOc1cccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000439292240 944510238 /nfs/dbraw/zinc/51/02/38/944510238.db2.gz DQCCBBYBNWDQHK-HXUWFJFHSA-N 1 0 366.465 3.794 20 30 FHEDRO C=CCCCCCNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000517757350 944569924 /nfs/dbraw/zinc/56/99/24/944569924.db2.gz PDKLJCAGTGQDIB-QGZVFWFLSA-N 1 0 371.525 3.848 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@H]1C(F)(F)F ZINC000894775355 944575113 /nfs/dbraw/zinc/57/51/13/944575113.db2.gz KMZRAANHVHXBNQ-RBSFLKMASA-N 1 0 372.362 3.697 20 30 FHEDRO C=CCN1CC[C@H]([N@H+](CC)[C@H](C)Cc2ccccc2C(F)(F)F)C1=O ZINC000499771268 944577841 /nfs/dbraw/zinc/57/78/41/944577841.db2.gz HXPJIVAOTNHMQB-PBHICJAKSA-N 1 0 354.416 3.745 20 30 FHEDRO NC(=O)c1ccc(C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000426373274 944583612 /nfs/dbraw/zinc/58/36/12/944583612.db2.gz RUFJIULAAYXHEQ-UHFFFAOYSA-N 1 0 372.390 3.820 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000517764873 944585255 /nfs/dbraw/zinc/58/52/55/944585255.db2.gz HABQFTXABGZOCQ-IFMALSPDSA-N 1 0 373.500 3.789 20 30 FHEDRO C[C@H]1CCC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000516241837 944610484 /nfs/dbraw/zinc/61/04/84/944610484.db2.gz SHWQIEDDKXARHV-RXVVDRJESA-N 1 0 368.525 3.602 20 30 FHEDRO C=CCOc1ccccc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438467011 944651781 /nfs/dbraw/zinc/65/17/81/944651781.db2.gz ANPVNDHPQVKLRJ-UHFFFAOYSA-N 1 0 363.461 3.998 20 30 FHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000418467501 944663567 /nfs/dbraw/zinc/66/35/67/944663567.db2.gz AAPUXWDKILOGBV-ZLGUVYLKSA-N 1 0 362.477 3.688 20 30 FHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000418467497 944663694 /nfs/dbraw/zinc/66/36/94/944663694.db2.gz AAPUXWDKILOGBV-ORYQWCPZSA-N 1 0 362.477 3.688 20 30 FHEDRO C[C@@H](CCNC(=O)c1cc(C#N)ccc1Cl)[N@H+](C)Cc1ccccc1 ZINC000584582068 944679564 /nfs/dbraw/zinc/67/95/64/944679564.db2.gz RAQBUOULSCIWTK-HNNXBMFYSA-N 1 0 355.869 3.852 20 30 FHEDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCN3C)cc1OCCCC#N ZINC000364441171 944715282 /nfs/dbraw/zinc/71/52/82/944715282.db2.gz CLQCODJACQZVFG-UHFFFAOYSA-N 1 0 365.477 3.660 20 30 FHEDRO CCc1cc[n+](C(C(=O)c2ccccc2OC)C(=S)N[C@H](C)CC)cc1 ZINC000194972405 944774376 /nfs/dbraw/zinc/77/43/76/944774376.db2.gz QHSAGMIILAWJDK-OAHLLOKOSA-O 1 0 371.526 3.872 20 30 FHEDRO C=CCOc1cccc(C[NH2+]CC2(N3CCC(OC)CC3)CCCC2)c1 ZINC000518791784 944775092 /nfs/dbraw/zinc/77/50/92/944775092.db2.gz BRJAAAWQYLNPQB-UHFFFAOYSA-N 1 0 358.526 3.765 20 30 FHEDRO N#Cc1ccc2nc(N3CCC([NH2+]CCOc4ccccc4)CC3)ccc2c1 ZINC000092914168 944802097 /nfs/dbraw/zinc/80/20/97/944802097.db2.gz GPJVAHBGRZSLJH-UHFFFAOYSA-N 1 0 372.472 3.744 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000566787212 944843403 /nfs/dbraw/zinc/84/34/03/944843403.db2.gz LHXZPPXIVONKDN-FPOVZHCZSA-N 1 0 366.509 3.596 20 30 FHEDRO C=CCOc1ccc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1OC ZINC000518864942 944862145 /nfs/dbraw/zinc/86/21/45/944862145.db2.gz GAJBOVJMFHRJKA-LMMKCTJWSA-N 1 0 372.509 3.737 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000518852232 944865400 /nfs/dbraw/zinc/86/54/00/944865400.db2.gz GPCGSPFWWPQTAB-QZTJIDSGSA-N 1 0 353.514 3.516 20 30 FHEDRO N#Cc1c(F)cccc1Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000507029715 944877260 /nfs/dbraw/zinc/87/72/60/944877260.db2.gz JRVRQXRRHLZQGD-UHFFFAOYSA-N 1 0 350.441 3.973 20 30 FHEDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCSCc1ccccc1C#N ZINC000511664483 944878888 /nfs/dbraw/zinc/87/88/88/944878888.db2.gz GTLIXNIRRJIPIZ-OAHLLOKOSA-N 1 0 371.481 3.937 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)ccc1C#N ZINC000500426805 944880539 /nfs/dbraw/zinc/88/05/39/944880539.db2.gz GWMKZTYBBJGJDU-MRXNPFEDSA-N 1 0 373.250 3.943 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1C(F)(F)F ZINC000438655395 944884783 /nfs/dbraw/zinc/88/47/83/944884783.db2.gz YQDGXGACXZCRPC-OAHLLOKOSA-N 1 0 366.387 3.669 20 30 FHEDRO C[C@H](NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000517977219 944885465 /nfs/dbraw/zinc/88/54/65/944885465.db2.gz VLXOCXMWQWIGKK-BBWFWOEESA-N 1 0 356.514 3.675 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC([NH3+])CC2)cc1Cl ZINC000414896820 944964662 /nfs/dbraw/zinc/96/46/62/944964662.db2.gz ADPUVFQGTSEICT-SFHVURJKSA-N 1 0 368.868 3.950 20 30 FHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518045827 944970209 /nfs/dbraw/zinc/97/02/09/944970209.db2.gz FLKWDGIWRTYIRW-GOSISDBHSA-N 1 0 359.473 3.972 20 30 FHEDRO C=CCC[C@H](C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000426997409 944986660 /nfs/dbraw/zinc/98/66/60/944986660.db2.gz KIZQCIPNYFXDQY-FQEVSTJZSA-N 1 0 358.526 3.742 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2C(C)C)c1C#N ZINC000140449991 944991108 /nfs/dbraw/zinc/99/11/08/944991108.db2.gz FALVROGCOKDKCN-LJQANCHMSA-N 1 0 368.481 3.677 20 30 FHEDRO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000473593830 944999860 /nfs/dbraw/zinc/99/98/60/944999860.db2.gz SABSGYFBCSNDOV-AEFFLSMTSA-N 1 0 354.416 3.998 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)C[C@H]1[NH3+] ZINC000414898122 945000349 /nfs/dbraw/zinc/00/03/49/945000349.db2.gz DDBLXBYXLIZTFR-OMWUSAIZSA-N 1 0 368.868 3.806 20 30 FHEDRO CCC1(CC)[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@@H]1OC ZINC000437089385 945008296 /nfs/dbraw/zinc/00/82/96/945008296.db2.gz UMOWGFXUVMPNHY-BTRQGYIVSA-N 1 0 357.498 3.827 20 30 FHEDRO CC[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(F)cn1 ZINC000437089585 945010132 /nfs/dbraw/zinc/01/01/32/945010132.db2.gz NTCXSNYLCZLGPD-ABHNRTSZSA-N 1 0 354.429 3.918 20 30 FHEDRO COc1ccccc1C[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437095403 945013957 /nfs/dbraw/zinc/01/39/57/945013957.db2.gz KFGMCKGUKHWION-PBPGXSGUSA-N 1 0 365.477 3.873 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425723246 945038994 /nfs/dbraw/zinc/03/89/94/945038994.db2.gz CBKQKJSGFSIDIV-IEBWSBKVSA-N 1 0 356.514 3.629 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425723247 945039349 /nfs/dbraw/zinc/03/93/49/945039349.db2.gz CBKQKJSGFSIDIV-MJGOQNOKSA-N 1 0 356.514 3.629 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000120813662 945045361 /nfs/dbraw/zinc/04/53/61/945045361.db2.gz RUTKGIULAIMCSS-HNNXBMFYSA-N 1 0 368.399 3.581 20 30 FHEDRO COc1cc(C[NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)ccc1C#N ZINC000516605854 945048787 /nfs/dbraw/zinc/04/87/87/945048787.db2.gz VBZRFHKTHMTQPF-LSDHHAIUSA-N 1 0 354.450 3.866 20 30 FHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000509547536 945057558 /nfs/dbraw/zinc/05/75/58/945057558.db2.gz ZZXAQHAITHMTGU-LJQANCHMSA-N 1 0 359.489 3.746 20 30 FHEDRO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000330135215 945370945 /nfs/dbraw/zinc/37/09/45/945370945.db2.gz HCHUMALZBATFFZ-IEBWSBKVSA-N 1 0 359.514 3.531 20 30 FHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(C)cc1 ZINC000181697918 945371071 /nfs/dbraw/zinc/37/10/71/945371071.db2.gz KGOTVKXQWRKFGC-HXUWFJFHSA-N 1 0 373.460 3.732 20 30 FHEDRO O=C(NCCc1ccc2ccccc2n1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330165879 945384170 /nfs/dbraw/zinc/38/41/70/945384170.db2.gz XJXMGILROCGXCA-UHFFFAOYSA-N 1 0 366.509 3.688 20 30 FHEDRO O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@@H]1CCCN1C1CC1 ZINC000330209022 945402919 /nfs/dbraw/zinc/40/29/19/945402919.db2.gz BJIQACOZVAOBNL-INIZCTEOSA-N 1 0 355.463 3.960 20 30 FHEDRO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)cc1 ZINC000330215448 945406268 /nfs/dbraw/zinc/40/62/68/945406268.db2.gz MJZHCYGRCSTCJP-CMKODMSKSA-N 1 0 371.525 3.530 20 30 FHEDRO O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330236144 945416973 /nfs/dbraw/zinc/41/69/73/945416973.db2.gz ZBDVXEVPFOZTTL-DGCLKSJQSA-N 1 0 361.339 3.519 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000507666424 945417262 /nfs/dbraw/zinc/41/72/62/945417262.db2.gz OPEKTXLQHGXZPP-UHFFFAOYSA-N 1 0 355.869 3.983 20 30 FHEDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000330247442 945422739 /nfs/dbraw/zinc/42/27/39/945422739.db2.gz FPPXMCOAQIDCON-ROUUACIJSA-N 1 0 361.534 3.609 20 30 FHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@H]1CCOC1 ZINC000330266399 945434059 /nfs/dbraw/zinc/43/40/59/945434059.db2.gz PXHLDBIPLMJFRA-ZIAGYGMSSA-N 1 0 361.511 3.833 20 30 FHEDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)c(Br)c1 ZINC000330273603 945438806 /nfs/dbraw/zinc/43/88/06/945438806.db2.gz ZLIINNDGHKPWDX-KNXALSJPSA-N 1 0 367.287 3.891 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001126570114 945451665 /nfs/dbraw/zinc/45/16/65/945451665.db2.gz YWRDFKRNIGEUEE-BVYCBKJFSA-N 1 0 361.489 3.711 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CC[NH2+]CC1 ZINC000415019313 945490154 /nfs/dbraw/zinc/49/01/54/945490154.db2.gz HYQBWWHEAHXICR-UHFFFAOYSA-N 1 0 350.422 3.533 20 30 FHEDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1cccc(C#N)c1 ZINC000151387340 945494657 /nfs/dbraw/zinc/49/46/57/945494657.db2.gz VHWYSXZCHYLTSZ-HNNXBMFYSA-N 1 0 355.869 3.738 20 30 FHEDRO N#CC1(CCC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)CCOCC1 ZINC000281140557 945537804 /nfs/dbraw/zinc/53/78/04/945537804.db2.gz AQXIEIIMLHYIHF-SFHVURJKSA-N 1 0 356.466 3.695 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1 ZINC000281217822 945557246 /nfs/dbraw/zinc/55/72/46/945557246.db2.gz TWBAHQTUUKDBPR-DOTOQJQBSA-N 1 0 350.890 3.727 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](CCO)C3)c2)c1 ZINC000093106990 945581763 /nfs/dbraw/zinc/58/17/63/945581763.db2.gz DAOYESYOHIKDHH-GOSISDBHSA-N 1 0 350.462 3.732 20 30 FHEDRO N#CC1(CCC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CCOCC1 ZINC000281330083 945593802 /nfs/dbraw/zinc/59/38/02/945593802.db2.gz LTJOINSEPFRLDV-UHFFFAOYSA-N 1 0 358.457 3.821 20 30 FHEDRO CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000330332513 945600630 /nfs/dbraw/zinc/60/06/30/945600630.db2.gz PABCZYBBORILAN-YFVAEKQCSA-N 1 0 373.541 3.777 20 30 FHEDRO C=CCOc1ccccc1C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000110488889 945619272 /nfs/dbraw/zinc/61/92/72/945619272.db2.gz DKYYOFZPSBTDKN-UHFFFAOYSA-N 1 0 354.450 3.834 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3(CCO)CCC3)c2)c1 ZINC000136548848 945622817 /nfs/dbraw/zinc/62/28/17/945622817.db2.gz PLZDPLUZFQKZAS-UHFFFAOYSA-N 1 0 350.462 3.780 20 30 FHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCCC3(C#N)CCOCC3)ccc2NC1=O ZINC000281420455 945627744 /nfs/dbraw/zinc/62/77/44/945627744.db2.gz BPYKJFDVTIQKPD-QAPCUYQASA-N 1 0 371.481 3.547 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000661001771 945633984 /nfs/dbraw/zinc/63/39/84/945633984.db2.gz KGRVWJDPLBCOPA-QKNQBKEWSA-N 1 0 355.526 3.895 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)ccc1C#N ZINC000281460400 945647942 /nfs/dbraw/zinc/64/79/42/945647942.db2.gz AVGXEFRLZPXCSX-UHFFFAOYSA-N 1 0 350.466 3.632 20 30 FHEDRO N#Cc1ccc(OCC[NH+]2CCC(Oc3cncc(Cl)c3)CC2)cc1 ZINC000519535286 945670839 /nfs/dbraw/zinc/67/08/39/945670839.db2.gz ATWGXJNKCWHKGY-UHFFFAOYSA-N 1 0 357.841 3.529 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c[nH]nc1-c1ccsc1)C(C)C ZINC000444024330 945729039 /nfs/dbraw/zinc/72/90/39/945729039.db2.gz WWQDIRWBVLNYSU-QGZVFWFLSA-N 1 0 358.511 3.567 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000661115895 945739344 /nfs/dbraw/zinc/73/93/44/945739344.db2.gz VCASLYVVLHYXAN-XLIONFOSSA-N 1 0 351.494 3.618 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000661118273 945744391 /nfs/dbraw/zinc/74/43/91/945744391.db2.gz XFEQSWFJIHTBAH-WBVHZDCISA-N 1 0 358.511 3.656 20 30 FHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000519794068 945748029 /nfs/dbraw/zinc/74/80/29/945748029.db2.gz SLHMAGVYHMCYHH-KRWDZBQOSA-N 1 0 371.554 3.956 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000661117876 945749991 /nfs/dbraw/zinc/74/99/91/945749991.db2.gz UTSWCYPCUZHMNK-RDJZCZTQSA-N 1 0 372.538 3.745 20 30 FHEDRO [NH2+]=C(Nc1cccc(OC(F)(F)F)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000262378985 945836205 /nfs/dbraw/zinc/83/62/05/945836205.db2.gz NYSXXDTXWYVQGY-ZNMIVQPWSA-N 1 0 369.387 3.660 20 30 FHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1cccc(F)c1C#N ZINC000428344817 945839404 /nfs/dbraw/zinc/83/94/04/945839404.db2.gz HFPGPLPUBHRFOT-IRXDYDNUSA-N 1 0 351.469 3.944 20 30 FHEDRO COc1cc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)ccc1C#N ZINC000281761565 945840117 /nfs/dbraw/zinc/84/01/17/945840117.db2.gz RSBKWJYPJCPMKK-UHFFFAOYSA-N 1 0 363.461 3.985 20 30 FHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(C)cc1C ZINC000519870510 945843725 /nfs/dbraw/zinc/84/37/25/945843725.db2.gz MMNJALMJJIUERM-OAQYLSRUSA-N 1 0 350.462 3.603 20 30 FHEDRO N#CCc1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)c(Cl)c1 ZINC000415793103 945848603 /nfs/dbraw/zinc/84/86/03/945848603.db2.gz WDDWDCRUEWLNHD-UHFFFAOYSA-N 1 0 356.857 3.789 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)CCC[NH2+]1 ZINC000662746238 945865814 /nfs/dbraw/zinc/86/58/14/945865814.db2.gz RMKUTGRJIVGQJQ-FQEVSTJZSA-N 1 0 353.422 3.519 20 30 FHEDRO C=CCOCCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000550105829 945872388 /nfs/dbraw/zinc/87/23/88/945872388.db2.gz VBLGMXJFPKRTQN-HSZRJFAPSA-N 1 0 365.521 3.751 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000550105930 945872495 /nfs/dbraw/zinc/87/24/95/945872495.db2.gz YBXGLNXNMHRLBS-KCQAQPDRSA-N 1 0 367.287 3.553 20 30 FHEDRO C=CC1CC[NH+](CC(=O)NCc2cccc(COCc3ccco3)c2)CC1 ZINC000111259437 945874002 /nfs/dbraw/zinc/87/40/02/945874002.db2.gz KEYFMWKSBYYILL-UHFFFAOYSA-N 1 0 368.477 3.511 20 30 FHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000651787117 945922016 /nfs/dbraw/zinc/92/20/16/945922016.db2.gz CXORLZOFTDIMKW-GXTWGEPZSA-N 1 0 361.429 3.943 20 30 FHEDRO C[C@@H]1C[C@H]([N@H+](C)CCOc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000303773438 945984326 /nfs/dbraw/zinc/98/43/26/945984326.db2.gz RDXLAQCHXQVZLS-DENIHFKCSA-N 1 0 363.505 3.922 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000444153889 946004517 /nfs/dbraw/zinc/00/45/17/946004517.db2.gz BCDOHRSQQPYPRT-UHFFFAOYSA-N 1 0 351.425 3.938 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000444169779 946016463 /nfs/dbraw/zinc/01/64/63/946016463.db2.gz SHYVGHYAOSDIQX-KRWDZBQOSA-N 1 0 361.555 3.709 20 30 FHEDRO C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508465597 946030688 /nfs/dbraw/zinc/03/06/88/946030688.db2.gz QOIXUVLOHLWNHG-MRXNPFEDSA-N 1 0 373.932 3.953 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCOC2(CCCCC2)C1 ZINC000444187487 946048152 /nfs/dbraw/zinc/04/81/52/946048152.db2.gz APVZYJZAUHZCEJ-KRWDZBQOSA-N 1 0 362.539 3.686 20 30 FHEDRO C=CC[C@H]1CCC[N@@H+](Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1 ZINC000661381087 946052643 /nfs/dbraw/zinc/05/26/43/946052643.db2.gz VCWIEZXSNTVSPO-AWEZNQCLSA-N 1 0 373.453 3.551 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCC[NH2+]1 ZINC000662823623 946063169 /nfs/dbraw/zinc/06/31/69/946063169.db2.gz RSMXEVHARMBODF-QGZVFWFLSA-N 1 0 364.371 3.528 20 30 FHEDRO C[C@H](CCNC(=O)NCC1CCC(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000441000961 946099862 /nfs/dbraw/zinc/09/98/62/946099862.db2.gz RXAXNLWLGVEXDU-LMDPOFIKSA-N 1 0 356.514 3.526 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000444235735 946108688 /nfs/dbraw/zinc/10/86/88/946108688.db2.gz FXVSMZGPVVXWAQ-JOCHJYFZSA-N 1 0 361.489 3.522 20 30 FHEDRO N#CC1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000441025402 946127556 /nfs/dbraw/zinc/12/75/56/946127556.db2.gz GMRBBMBPUKLEBE-QLOJAFMTSA-N 1 0 360.546 3.660 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(C#N)ccc2F)CC1 ZINC000827984179 946219981 /nfs/dbraw/zinc/21/99/81/946219981.db2.gz CFRZOVXEYHCJMX-HNNXBMFYSA-N 1 0 351.425 3.653 20 30 FHEDRO C=CCCNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000661564643 946276947 /nfs/dbraw/zinc/27/69/47/946276947.db2.gz CPXCWMDLYKDAJZ-HXUWFJFHSA-N 1 0 355.526 3.895 20 30 FHEDRO C=C(C)COCCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000475094138 946366296 /nfs/dbraw/zinc/36/62/96/946366296.db2.gz IDPIVBAHAMLXEU-GOSISDBHSA-N 1 0 359.514 3.542 20 30 FHEDRO N#Cc1ccc(CCc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cc1 ZINC000545675129 946377331 /nfs/dbraw/zinc/37/73/31/946377331.db2.gz OSUPLGPSTXBUPP-UHFFFAOYSA-N 1 0 358.445 3.989 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441283657 946378699 /nfs/dbraw/zinc/37/86/99/946378699.db2.gz BPPLJJZUYBFORJ-IRXDYDNUSA-N 1 0 360.523 3.652 20 30 FHEDRO Cc1nn2c(C[N@H+](Cc3ccc(C#N)cc3)CC(C)C)c(C)nc2s1 ZINC000507737889 946396993 /nfs/dbraw/zinc/39/69/93/946396993.db2.gz DXOMTNQHOGQRJU-UHFFFAOYSA-N 1 0 353.495 3.938 20 30 FHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475105086 946404225 /nfs/dbraw/zinc/40/42/25/946404225.db2.gz AYZDCEQILFSODJ-LJQANCHMSA-N 1 0 367.468 3.803 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C(=O)N2Cc3ccccc3C2)cc1Cl ZINC000475496407 946435019 /nfs/dbraw/zinc/43/50/19/946435019.db2.gz PFFYCLHCEPRASY-OAHLLOKOSA-N 1 0 370.880 3.925 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186085332 946457975 /nfs/dbraw/zinc/45/79/75/946457975.db2.gz FPMDHZXGRXTEED-SFHVURJKSA-N 1 0 356.514 3.743 20 30 FHEDRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC1CCC(C#N)CC1 ZINC000441330869 946462505 /nfs/dbraw/zinc/46/25/05/946462505.db2.gz GIQNDRDFOJCRDX-UHFFFAOYSA-N 1 0 356.422 3.648 20 30 FHEDRO N#Cc1ccccc1COc1cccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000066905337 946495804 /nfs/dbraw/zinc/49/58/04/946495804.db2.gz JSWSUTXPDBBZNG-XZOQPEGZSA-N 1 0 361.489 3.854 20 30 FHEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000441369909 946520440 /nfs/dbraw/zinc/52/04/40/946520440.db2.gz GEGMHDCTILCLNF-PMACEKPBSA-N 1 0 353.510 3.906 20 30 FHEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F ZINC000303262445 946535051 /nfs/dbraw/zinc/53/50/51/946535051.db2.gz PUNWQNWHHUDODX-NSHDSACASA-N 1 0 367.419 3.711 20 30 FHEDRO C=CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C(C)(C)C ZINC000661759217 946594551 /nfs/dbraw/zinc/59/45/51/946594551.db2.gz DVPYMIIYSIOBIP-UHFFFAOYSA-N 1 0 371.403 3.889 20 30 FHEDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000101930617 946613947 /nfs/dbraw/zinc/61/39/47/946613947.db2.gz MQPIZBPGWDSUGP-KRWDZBQOSA-N 1 0 362.477 3.665 20 30 FHEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000136661857 946702962 /nfs/dbraw/zinc/70/29/62/946702962.db2.gz NNVYLKDCCBPCKV-YQHFOJDRSA-N 1 0 365.477 3.960 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](C)C1CCCCC1 ZINC000475207495 946722687 /nfs/dbraw/zinc/72/26/87/946722687.db2.gz PCRAVJFOIGLHBC-LLGFUMIMSA-N 1 0 353.510 3.854 20 30 FHEDRO C[C@@H]([C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCCCC1 ZINC000475207497 946723004 /nfs/dbraw/zinc/72/30/04/946723004.db2.gz PCRAVJFOIGLHBC-XGHQBKJUSA-N 1 0 353.510 3.854 20 30 FHEDRO C=CCSCC[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000237157351 946757641 /nfs/dbraw/zinc/75/76/41/946757641.db2.gz JKGVSBPWUSOEEX-UHFFFAOYSA-N 1 0 356.491 3.956 20 30 FHEDRO C=CCC1([NH2+]Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CCCC1 ZINC000661850879 946759640 /nfs/dbraw/zinc/75/96/40/946759640.db2.gz ASYNIIFKSXAAHR-UHFFFAOYSA-N 1 0 374.485 3.586 20 30 FHEDRO C=CCC1([NH2+]CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CCCC1 ZINC000661865553 946791448 /nfs/dbraw/zinc/79/14/48/946791448.db2.gz QTOCRHGSFNMNRK-UHFFFAOYSA-N 1 0 352.482 3.906 20 30 FHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1OC)CC2 ZINC001203425944 946843402 /nfs/dbraw/zinc/84/34/02/946843402.db2.gz UWEQJPPCCREPPS-UHFFFAOYSA-N 1 0 358.482 3.696 20 30 FHEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000468911594 946904038 /nfs/dbraw/zinc/90/40/38/946904038.db2.gz IYDXSUOKUAFUOD-HXUWFJFHSA-N 1 0 370.518 3.675 20 30 FHEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CC[NH+](C4CCC4)CC3)c2)cc1 ZINC000523140247 946906653 /nfs/dbraw/zinc/90/66/53/946906653.db2.gz IBWBDYGCQNWQDC-UHFFFAOYSA-N 1 0 360.461 3.612 20 30 FHEDRO C[C@@H](NC(=[NH2+])NC[C@@](C)(O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000262551308 946914957 /nfs/dbraw/zinc/91/49/57/946914957.db2.gz YJRQNGFWCISNNT-QLJPJBMISA-N 1 0 372.321 3.928 20 30 FHEDRO CC[C@@H]1C[C@H](C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCO1 ZINC000475357247 946936996 /nfs/dbraw/zinc/93/69/96/946936996.db2.gz ZHLVLHXHXYQXMK-NSISKUIASA-N 1 0 361.917 3.727 20 30 FHEDRO C[NH+]=C(NCc1cnc(C)s1)N1CC[C@H](CSc2ccccc2)C1 ZINC000262478115 946954558 /nfs/dbraw/zinc/95/45/58/946954558.db2.gz QRKBEBQHBYJNPM-HNNXBMFYSA-N 1 0 360.552 3.641 20 30 FHEDRO C=CCn1c(-c2sccc2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508497604 946957942 /nfs/dbraw/zinc/95/79/42/946957942.db2.gz MKKAOEPSYKLTLQ-MRXNPFEDSA-N 1 0 357.527 3.566 20 30 FHEDRO Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)CCC2 ZINC000328649910 946965655 /nfs/dbraw/zinc/96/56/55/946965655.db2.gz IWYYXODOMNABSE-PKOBYXMFSA-N 1 0 370.472 3.829 20 30 FHEDRO CC1CCC(NC(=O)CN2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000328651491 946965770 /nfs/dbraw/zinc/96/57/70/946965770.db2.gz JVURFNISZIAZRC-ADKAHSJRSA-N 1 0 358.530 3.934 20 30 FHEDRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328657535 946967906 /nfs/dbraw/zinc/96/79/06/946967906.db2.gz PFFAEDJPNAATQZ-STQMWFEESA-N 1 0 359.804 3.703 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182635803 946979883 /nfs/dbraw/zinc/97/98/83/946979883.db2.gz BDZVQYYWZVGOJV-HKUYNNGSSA-N 1 0 371.525 3.704 20 30 FHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1coc(C2CCCCC2)n1 ZINC000328677186 946983809 /nfs/dbraw/zinc/98/38/09/946983809.db2.gz LWDJVYJOZZRCOF-UHFFFAOYSA-N 1 0 361.486 3.672 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc3nsnc32)C1 ZINC000328735880 947003834 /nfs/dbraw/zinc/00/38/34/947003834.db2.gz KURRKHNVSWSUMI-OQUILHJVSA-N 1 0 374.510 3.541 20 30 FHEDRO CC(C)(C#N)CCCC[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000444590537 947016906 /nfs/dbraw/zinc/01/69/06/947016906.db2.gz DVYGOVCASVOJDM-UHFFFAOYSA-N 1 0 373.932 3.825 20 30 FHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CCCC12CCOCC2 ZINC000328767520 947018280 /nfs/dbraw/zinc/01/82/80/947018280.db2.gz BJTJMUHMUXDZDO-SFHVURJKSA-N 1 0 365.562 3.884 20 30 FHEDRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000328770409 947019681 /nfs/dbraw/zinc/01/96/81/947019681.db2.gz RANSFVRWMJSLKV-ZDUSSCGKSA-N 1 0 352.862 3.772 20 30 FHEDRO CC(C)(C#N)CCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000444594845 947019732 /nfs/dbraw/zinc/01/97/32/947019732.db2.gz IUKUKZOYABFOOQ-FQEVSTJZSA-N 1 0 353.510 3.756 20 30 FHEDRO CC(C)[C@@H](CNC(=O)c1coc(C2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000328776371 947023501 /nfs/dbraw/zinc/02/35/01/947023501.db2.gz FNJWBRZDQGHYNI-GOSISDBHSA-N 1 0 363.502 3.630 20 30 FHEDRO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000328824247 947041370 /nfs/dbraw/zinc/04/13/70/947041370.db2.gz RLXZRXJQAKVKKN-AWEZNQCLSA-N 1 0 351.516 3.525 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000328796423 947049156 /nfs/dbraw/zinc/04/91/56/947049156.db2.gz DCAAJLHQIAEAIL-OAHLLOKOSA-N 1 0 365.543 3.915 20 30 FHEDRO C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)Oc1ccccc1Cl ZINC000262488741 947051978 /nfs/dbraw/zinc/05/19/78/947051978.db2.gz UCZWFEUILBERJT-CZUORRHYSA-N 1 0 359.857 3.535 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000165178743 947052847 /nfs/dbraw/zinc/05/28/47/947052847.db2.gz TYDXQUKFAVHPEN-QGZVFWFLSA-N 1 0 368.452 3.525 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000328849889 947064749 /nfs/dbraw/zinc/06/47/49/947064749.db2.gz UHHZCTVIJKUEBT-WZYMTQMTSA-N 1 0 363.527 3.665 20 30 FHEDRO Cn1cc([C@@H]2CCC[N@@H+]2CCC(=O)N[C@@H]2CCCc3ccccc32)cn1 ZINC000328936121 947092248 /nfs/dbraw/zinc/09/22/48/947092248.db2.gz JJJFRQVIMORBJW-UXHICEINSA-N 1 0 352.482 3.981 20 30 FHEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C1CC1 ZINC000328939861 947094712 /nfs/dbraw/zinc/09/47/12/947094712.db2.gz SCBZWDGQMJVZHG-ZVZYQTTQSA-N 1 0 359.518 3.693 20 30 FHEDRO O=C(COc1cccc(NC(=O)C2CC2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328910306 947103896 /nfs/dbraw/zinc/10/38/96/947103896.db2.gz FMWBFMMNDHRONH-QZTJIDSGSA-N 1 0 357.454 3.647 20 30 FHEDRO O=C(COc1cccc(NC(=O)C2CC2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328910305 947104123 /nfs/dbraw/zinc/10/41/23/947104123.db2.gz FMWBFMMNDHRONH-MSOLQXFVSA-N 1 0 357.454 3.647 20 30 FHEDRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnc2ccccc12 ZINC000328972872 947128248 /nfs/dbraw/zinc/12/82/48/947128248.db2.gz VOOWROIYAPTTRH-RTWAWAEBSA-N 1 0 367.493 3.616 20 30 FHEDRO C[C@@H](NC(=O)c1csc2c1CCCC2)C(=O)NCC[NH+]1CCCCC1 ZINC000328974812 947130012 /nfs/dbraw/zinc/13/00/12/947130012.db2.gz BDABNYLAASAPGT-CQSZACIVSA-N 1 0 363.527 3.762 20 30 FHEDRO Cc1cn2c(n1)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000328974944 947130112 /nfs/dbraw/zinc/13/01/12/947130112.db2.gz PTMFZWKQCMOYCB-NSISKUIASA-N 1 0 366.509 3.794 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444711309 947139786 /nfs/dbraw/zinc/13/97/86/947139786.db2.gz UQKBXAYZXNGBHH-KBPBESRZSA-N 1 0 360.445 3.926 20 30 FHEDRO COc1cc(Br)cc(C)c1NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000330392679 947165167 /nfs/dbraw/zinc/16/51/67/947165167.db2.gz BAQITMAKXNLARQ-OLZOCXBDSA-N 1 0 370.291 3.575 20 30 FHEDRO CC(C)NC(=O)Nc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000330455736 947175226 /nfs/dbraw/zinc/17/52/26/947175226.db2.gz NELRSHNFMZJERU-HZPDHXFCSA-N 1 0 360.502 3.846 20 30 FHEDRO COc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1Br ZINC000330483356 947181447 /nfs/dbraw/zinc/18/14/47/947181447.db2.gz VJYVOIXLXCSMTA-GFCCVEGCSA-N 1 0 370.291 3.658 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(-c2ccccc2)n1 ZINC000428377080 947196744 /nfs/dbraw/zinc/19/67/44/947196744.db2.gz WWBXZWOZYCCOGV-NRFANRHFSA-N 1 0 364.493 3.855 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Br)s1 ZINC000444767363 947203726 /nfs/dbraw/zinc/20/37/26/947203726.db2.gz RXNMYLKXWVQJGG-QMMMGPOBSA-N 1 0 370.297 3.733 20 30 FHEDRO C=CCOc1c(Cl)cc(C[N@H+](CCO)C2CCSCC2)cc1OC ZINC000628301724 947210186 /nfs/dbraw/zinc/21/01/86/947210186.db2.gz DHPGHKXJUWKPKR-UHFFFAOYSA-N 1 0 371.930 3.603 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000662077329 947211328 /nfs/dbraw/zinc/21/13/28/947211328.db2.gz BDGJBEXNQAEAGL-BGYRXZFFSA-N 1 0 350.462 3.991 20 30 FHEDRO C=CC[C@H]1[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CCCC1(C)C ZINC000444778962 947215686 /nfs/dbraw/zinc/21/56/86/947215686.db2.gz KFDZEYLKXGEKQQ-GOSISDBHSA-N 1 0 350.528 3.504 20 30 FHEDRO COc1ccc(C2([NH2+]Cc3cc(C#N)ccc3F)CCOCC2)cc1F ZINC000444808047 947222143 /nfs/dbraw/zinc/22/21/43/947222143.db2.gz PGHZEICXYMKSFC-UHFFFAOYSA-N 1 0 358.388 3.641 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000246321665 947250124 /nfs/dbraw/zinc/25/01/24/947250124.db2.gz IISNEPFMOMXEMA-MAUKXSAKSA-N 1 0 360.523 3.921 20 30 FHEDRO N#Cc1ccc(C2CCN(C(=O)NCCCCC[NH+]3CCCC3)CC2)cc1 ZINC000895051607 947250187 /nfs/dbraw/zinc/25/01/87/947250187.db2.gz PHJAVZQLWVRQNC-UHFFFAOYSA-N 1 0 368.525 3.713 20 30 FHEDRO COc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1C(C)C ZINC000330707724 947255132 /nfs/dbraw/zinc/25/51/32/947255132.db2.gz MWIZQLXGQWJTIO-GDBMZVCRSA-N 1 0 363.502 3.787 20 30 FHEDRO C[C@@H]1CN(c2ccc(NCc3ccc(F)c(C#N)c3Cl)cn2)C[C@H](C)O1 ZINC000475443302 947258148 /nfs/dbraw/zinc/25/81/48/947258148.db2.gz IZIQXBFALUXKHH-BETUJISGSA-N 1 0 374.847 3.971 20 30 FHEDRO C[NH+](C)CC1(CNC(=O)Nc2nc(C(F)(F)F)cs2)CCCC1 ZINC000330803201 947277123 /nfs/dbraw/zinc/27/71/23/947277123.db2.gz FCDZNDXJMUHITM-UHFFFAOYSA-N 1 0 350.410 3.610 20 30 FHEDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000249030886 947317446 /nfs/dbraw/zinc/31/74/46/947317446.db2.gz LZWICFFBGYIKAT-CZAAIQMYSA-N 1 0 359.473 3.806 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000330980690 947325642 /nfs/dbraw/zinc/32/56/42/947325642.db2.gz NUZQHYBLPBGRRJ-UHFFFAOYSA-N 1 0 364.559 3.841 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)ccc2OC(F)F)C[C@H]1C ZINC000331277747 947376556 /nfs/dbraw/zinc/37/65/56/947376556.db2.gz JNWCFHYJMRRIEY-CHWSQXEVSA-N 1 0 371.428 3.647 20 30 FHEDRO COc1cc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)ccc1C#N ZINC000440621740 947378832 /nfs/dbraw/zinc/37/88/32/947378832.db2.gz RMSYLGCVYDHZTJ-VXKWHMMOSA-N 1 0 368.452 3.569 20 30 FHEDRO CC(=O)Nc1cccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1C ZINC000331293998 947391750 /nfs/dbraw/zinc/39/17/50/947391750.db2.gz LUZDAHCQBFHHDP-KRWDZBQOSA-N 1 0 360.502 3.790 20 30 FHEDRO Cc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc1C(=O)N(C)C ZINC000331303409 947393171 /nfs/dbraw/zinc/39/31/71/947393171.db2.gz XQRVPFSKWZGNKY-GOSISDBHSA-N 1 0 374.529 3.533 20 30 FHEDRO N#Cc1ccccc1OCC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000523606643 947412580 /nfs/dbraw/zinc/41/25/80/947412580.db2.gz LEHOIYMXJFCLAV-UHFFFAOYSA-N 1 0 350.462 3.866 20 30 FHEDRO C=CCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2Br)CCCC1 ZINC001573329532 947420443 /nfs/dbraw/zinc/42/04/43/947420443.db2.gz KOXWQFXKGAMCHT-UHFFFAOYSA-N 1 0 362.275 3.608 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NCc1ccc(C#N)c(OC)c1 ZINC000440625242 947431873 /nfs/dbraw/zinc/43/18/73/947431873.db2.gz KTIDPJVWUNVVLA-UHFFFAOYSA-N 1 0 353.466 3.900 20 30 FHEDRO COc1cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc2c1OCO2 ZINC000093872097 947432846 /nfs/dbraw/zinc/43/28/46/947432846.db2.gz IFJVWJVIBSBDBD-ZWKOTPCHSA-N 1 0 350.418 3.696 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCS[C@@H](C)[C@H]1C ZINC000253485188 947433239 /nfs/dbraw/zinc/43/32/39/947433239.db2.gz MPUADMWZTHAFKX-KFWWJZLASA-N 1 0 363.552 3.703 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)ccc1C#N ZINC000440642517 947474799 /nfs/dbraw/zinc/47/47/99/947474799.db2.gz YIZGQJFQMHRVJG-HNNXBMFYSA-N 1 0 359.832 3.728 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3(C#N)CCCC3)cc2)C1 ZINC000072010109 947572764 /nfs/dbraw/zinc/57/27/64/947572764.db2.gz ITCDAYRABIRJEV-HDICACEKSA-N 1 0 353.510 3.865 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189144650 947620199 /nfs/dbraw/zinc/62/01/99/947620199.db2.gz WXFRXJWLTONXJY-QFBILLFUSA-N 1 0 362.539 3.542 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c(Br)c1 ZINC000128750207 947730797 /nfs/dbraw/zinc/73/07/97/947730797.db2.gz GIBCQGFCGVTUGK-SJORKVTESA-N 1 0 359.271 3.791 20 30 FHEDRO Cc1cc(C[C@H](C)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)[nH]n1 ZINC000136774991 947925663 /nfs/dbraw/zinc/92/56/63/947925663.db2.gz GRELWDUMUVATBP-INIZCTEOSA-N 1 0 360.461 3.890 20 30 FHEDRO COc1ccc(C[N@H+](C)CC2(O)CCCCCC2)cc1OCCCC#N ZINC000190141344 947935022 /nfs/dbraw/zinc/93/50/22/947935022.db2.gz MBDQRWVQSCUHOC-UHFFFAOYSA-N 1 0 360.498 3.895 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)CCC[NH2+]1 ZINC000662670689 947971970 /nfs/dbraw/zinc/97/19/70/947971970.db2.gz HAGMBJNRSBFKIS-IBGZPJMESA-N 1 0 356.495 3.533 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccnc(-n3ccnc3)c2)ccc1OC ZINC000057969014 948102275 /nfs/dbraw/zinc/10/22/75/948102275.db2.gz IOHGLTNYOAQARB-UHFFFAOYSA-N 1 0 364.449 3.521 20 30 FHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CC(F)(F)F)C2)sc2c1CCC2 ZINC000278918552 948111666 /nfs/dbraw/zinc/11/16/66/948111666.db2.gz WKGLOFHWHNVXOU-NSHDSACASA-N 1 0 371.428 3.711 20 30 FHEDRO CCOc1ccccc1OCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000441505381 948128022 /nfs/dbraw/zinc/12/80/22/948128022.db2.gz HMIILXCRVADIJK-UHFFFAOYSA-N 1 0 366.461 3.879 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000054008930 948161106 /nfs/dbraw/zinc/16/11/06/948161106.db2.gz FMJBKOPGGNUZLG-FQEVSTJZSA-N 1 0 366.465 3.771 20 30 FHEDRO C=CCC[C@H](NC(=O)NCC[N@@H+](C)CC)c1ccc(C(F)(F)F)cc1 ZINC000441515886 948201819 /nfs/dbraw/zinc/20/18/19/948201819.db2.gz SIZXZEWOBZOEGQ-INIZCTEOSA-N 1 0 357.420 3.964 20 30 FHEDRO CN(C(=O)[C@@]1(C#N)CC2CCC1CC2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000909440991 948303665 /nfs/dbraw/zinc/30/36/65/948303665.db2.gz VEDWITGFUGOOJN-JTTJXQCZSA-N 1 0 371.447 3.582 20 30 FHEDRO CC(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[NH+](C)C ZINC000106916999 948347371 /nfs/dbraw/zinc/34/73/71/948347371.db2.gz PADZFLDXJZBRBR-HXUWFJFHSA-N 1 0 351.450 3.662 20 30 FHEDRO CC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H](C)Cc1ccsc1 ZINC000614603443 948349295 /nfs/dbraw/zinc/34/92/95/948349295.db2.gz UZOGIPGEFDMCAM-QFBILLFUSA-N 1 0 358.507 3.507 20 30 FHEDRO C[C@H](NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000107385254 948494232 /nfs/dbraw/zinc/49/42/32/948494232.db2.gz YPADBHOFLODPCL-INIZCTEOSA-N 1 0 366.465 3.771 20 30 FHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](C(C)(C)CC)CC1 ZINC000655632452 948496928 /nfs/dbraw/zinc/49/69/28/948496928.db2.gz MXZDUMIONLOKDB-UHFFFAOYSA-N 1 0 368.529 3.535 20 30 FHEDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1Cl ZINC000512147755 948551812 /nfs/dbraw/zinc/55/18/12/948551812.db2.gz LTGWCLOZCKBUPE-UHFFFAOYSA-N 1 0 352.825 3.936 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000520698251 948603815 /nfs/dbraw/zinc/60/38/15/948603815.db2.gz JUMUVLYEEJQVAU-UHFFFAOYSA-N 1 0 367.497 3.651 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(C)cc3c(C)c(C)[nH]c32)CC1 ZINC000520707398 948640850 /nfs/dbraw/zinc/64/08/50/948640850.db2.gz CQUWDNQFIVRSGK-UHFFFAOYSA-N 1 0 354.498 3.543 20 30 FHEDRO C=CCOc1cccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000512177592 948666348 /nfs/dbraw/zinc/66/63/48/948666348.db2.gz FPTUUBBRLGDWNF-RTBURBONSA-N 1 0 358.526 3.573 20 30 FHEDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000438634196 948779800 /nfs/dbraw/zinc/77/98/00/948779800.db2.gz XUUFZPKDOHTSIM-UHFFFAOYSA-N 1 0 352.434 3.522 20 30 FHEDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)Cc1ccccc1 ZINC000031653556 208014033 /nfs/dbraw/zinc/01/40/33/208014033.db2.gz ZCHXEDBRLXYOND-IBGZPJMESA-N 1 0 352.438 3.831 20 30 FHEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(C#N)cc1Cl ZINC000366005429 567835893 /nfs/dbraw/zinc/83/58/93/567835893.db2.gz CVRYBWXJOVDKPY-DOHHPOSVSA-N 1 0 361.917 3.752 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1 ZINC000181850409 567838464 /nfs/dbraw/zinc/83/84/64/567838464.db2.gz IGNMYZCQBBPVRU-PKTZIBPZSA-N 1 0 361.489 3.642 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 ZINC000541795071 567852581 /nfs/dbraw/zinc/85/25/81/567852581.db2.gz SVAWEJYFRHORGY-KRWDZBQOSA-N 1 0 362.260 3.898 20 30 FHEDRO N#Cc1cc(Br)ccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000568077631 567860184 /nfs/dbraw/zinc/86/01/84/567860184.db2.gz GTPDEEQCLAEEQO-UHFFFAOYSA-N 1 0 370.294 3.685 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000481387141 567882994 /nfs/dbraw/zinc/88/29/94/567882994.db2.gz BCVZVMJELKKDFK-VLIAUNLRSA-N 1 0 371.868 3.906 20 30 FHEDRO C[C@H](CCc1ccc(F)cc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161790820 567964878 /nfs/dbraw/zinc/96/48/78/567964878.db2.gz QUGYDNLVDCHWII-MRXNPFEDSA-N 1 0 352.457 3.672 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000602498578 567983656 /nfs/dbraw/zinc/98/36/56/567983656.db2.gz OATSAZCMRUJMGH-GUDVDZBRSA-N 1 0 371.525 3.807 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000602515722 567986551 /nfs/dbraw/zinc/98/65/51/567986551.db2.gz CNPBGDRCEAPRIW-SFHVURJKSA-N 1 0 356.514 3.651 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000602517628 567986751 /nfs/dbraw/zinc/98/67/51/567986751.db2.gz HXMFQTWBHFCKLZ-GOSISDBHSA-N 1 0 365.477 3.849 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000602517629 567986755 /nfs/dbraw/zinc/98/67/55/567986755.db2.gz HXMFQTWBHFCKLZ-SFHVURJKSA-N 1 0 365.477 3.849 20 30 FHEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602522245 567987385 /nfs/dbraw/zinc/98/73/85/567987385.db2.gz SMMUVMPVRLBEOG-IAGOWNOFSA-N 1 0 357.498 3.860 20 30 FHEDRO CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602525835 567987759 /nfs/dbraw/zinc/98/77/59/567987759.db2.gz CVOQSDPJDKCCEU-KRWDZBQOSA-N 1 0 357.498 3.860 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000602528646 567988126 /nfs/dbraw/zinc/98/81/26/567988126.db2.gz OQTSEOGKGVBWCY-QGZVFWFLSA-N 1 0 357.498 3.982 20 30 FHEDRO CCN(CC)[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)c1cccc(OC)c1 ZINC000602503241 567988552 /nfs/dbraw/zinc/98/85/52/567988552.db2.gz PCVSYDZKHPSAGS-WIYYLYMNSA-N 1 0 373.541 3.767 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(Br)ccc1F ZINC000602508156 567988890 /nfs/dbraw/zinc/98/88/90/567988890.db2.gz UDHAMPKQGPTPFD-GFCCVEGCSA-N 1 0 355.251 3.777 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000602513605 567989517 /nfs/dbraw/zinc/98/95/17/567989517.db2.gz PSGUYCLSCLMPNM-SFHVURJKSA-N 1 0 369.509 3.501 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000602514178 567989671 /nfs/dbraw/zinc/98/96/71/567989671.db2.gz IATUVXBEJYYQMF-SFHVURJKSA-N 1 0 365.477 3.849 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000481486529 567989915 /nfs/dbraw/zinc/98/99/15/567989915.db2.gz QBAFBFDCHGROHB-XOBRGWDASA-N 1 0 371.868 3.906 20 30 FHEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+]C[C@H](C)CCC#N ZINC000602544156 567989979 /nfs/dbraw/zinc/98/99/79/567989979.db2.gz FCUONVBQUDFEIE-GFCCVEGCSA-N 1 0 352.276 3.616 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccc(Br)cc1 ZINC000602544620 567990095 /nfs/dbraw/zinc/99/00/95/567990095.db2.gz NAPCUPYOGWTODP-CQSZACIVSA-N 1 0 367.287 3.516 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000602549821 567990572 /nfs/dbraw/zinc/99/05/72/567990572.db2.gz FTHPLISAOXZHRN-ZHALLVOQSA-N 1 0 361.555 3.820 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602585794 567994359 /nfs/dbraw/zinc/99/43/59/567994359.db2.gz UQBYESPWFZIKPP-LSDHHAIUSA-N 1 0 357.351 3.529 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 ZINC000481500321 567997036 /nfs/dbraw/zinc/99/70/36/567997036.db2.gz XMBRBZMYZKYVOX-WIYYLYMNSA-N 1 0 368.452 3.707 20 30 FHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602856898 568002510 /nfs/dbraw/zinc/00/25/10/568002510.db2.gz SZARLYOKVBMKOX-QUCCMNQESA-N 1 0 362.477 3.596 20 30 FHEDRO CSc1ccc([C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N(C)C)cc1 ZINC000602673495 568008569 /nfs/dbraw/zinc/00/85/69/568008569.db2.gz VDVRCHRZXJQKEI-LPHOPBHVSA-N 1 0 361.555 3.700 20 30 FHEDRO CC(=O)N(c1nc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cs1)c1ccccc1 ZINC000602680695 568009845 /nfs/dbraw/zinc/00/98/45/568009845.db2.gz RKWDJJRNLVSIFQ-HOTGVXAUSA-N 1 0 354.479 4.000 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000602693678 568015665 /nfs/dbraw/zinc/01/56/65/568015665.db2.gz FQJGPGRUGFZNBB-OAHLLOKOSA-N 1 0 364.331 3.943 20 30 FHEDRO CCC(CC)(C[NH2+][C@H](C)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000602695423 568016202 /nfs/dbraw/zinc/01/62/02/568016202.db2.gz TYVYIDKJCOSEOS-MRXNPFEDSA-N 1 0 352.519 3.823 20 30 FHEDRO COC(=O)c1ccc2c(c1)[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)CCC2 ZINC000602710912 568019150 /nfs/dbraw/zinc/01/91/50/568019150.db2.gz ZZSDORJFPGHSFF-QFBILLFUSA-N 1 0 370.493 3.582 20 30 FHEDRO COc1ccccc1-c1cc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)on1 ZINC000602713969 568019570 /nfs/dbraw/zinc/01/95/70/568019570.db2.gz DMNFSUYWCHIDGO-OAHLLOKOSA-N 1 0 355.438 3.539 20 30 FHEDRO CC(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000181868306 568030677 /nfs/dbraw/zinc/03/06/77/568030677.db2.gz LOBZWDIQXCTBDX-QHCPKHFHSA-N 1 0 362.521 3.947 20 30 FHEDRO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000605978340 568052100 /nfs/dbraw/zinc/05/21/00/568052100.db2.gz WZYQRDMQPCMXII-QGZVFWFLSA-N 1 0 369.431 3.887 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000481569841 568057560 /nfs/dbraw/zinc/05/75/60/568057560.db2.gz HMOAQAUDQXJXPU-NVXWUHKLSA-N 1 0 353.491 3.638 20 30 FHEDRO CC(C)CC(=O)N1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481655707 568081978 /nfs/dbraw/zinc/08/19/78/568081978.db2.gz WWKYLTZZESOKPG-NRFANRHFSA-N 1 0 353.510 3.952 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000481659609 568082335 /nfs/dbraw/zinc/08/23/35/568082335.db2.gz RIORQIAZXPDSMD-KBXCAEBGSA-N 1 0 352.413 3.654 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000481677963 568085167 /nfs/dbraw/zinc/08/51/67/568085167.db2.gz MRJVJMINTNNPLV-VQTJNVASSA-N 1 0 363.436 3.860 20 30 FHEDRO CC[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000481709101 568090789 /nfs/dbraw/zinc/09/07/89/568090789.db2.gz BVWRHWSVHZIZGW-IBGZPJMESA-N 1 0 366.440 3.656 20 30 FHEDRO N#Cc1ccsc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000568672737 568117008 /nfs/dbraw/zinc/11/70/08/568117008.db2.gz KRNZGURDQODSCD-OAHLLOKOSA-N 1 0 361.417 3.716 20 30 FHEDRO Cc1cc(C)c(NC(=O)CN(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000330286328 568121325 /nfs/dbraw/zinc/12/13/25/568121325.db2.gz AJCKPLUKEZWTKB-SFHVURJKSA-N 1 0 359.514 3.923 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000568742916 568146404 /nfs/dbraw/zinc/14/64/04/568146404.db2.gz ZVPQMNIDZDUAKC-CTNGQTDRSA-N 1 0 368.502 3.505 20 30 FHEDRO CC1(C)C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000330296138 568150655 /nfs/dbraw/zinc/15/06/55/568150655.db2.gz JXKPOYQRTPTFMF-IBGZPJMESA-N 1 0 371.525 3.558 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 ZINC000481848365 568159817 /nfs/dbraw/zinc/15/98/17/568159817.db2.gz OESOKARFUACIRM-RXVVDRJESA-N 1 0 364.489 3.788 20 30 FHEDRO N#Cc1cc2c(nc1N1CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)CCC2 ZINC000481990578 568215945 /nfs/dbraw/zinc/21/59/45/568215945.db2.gz DXMBBIZSUWCLFA-REWPJTCUSA-N 1 0 372.516 3.933 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C(=O)N1Cc2ccccc2C1 ZINC000481991007 568215976 /nfs/dbraw/zinc/21/59/76/568215976.db2.gz JZDDALJEVINZET-OPAMFIHVSA-N 1 0 359.473 3.846 20 30 FHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000330308177 568222037 /nfs/dbraw/zinc/22/20/37/568222037.db2.gz SPBNQXGRJQXKJK-DNVCBOLYSA-N 1 0 358.442 3.638 20 30 FHEDRO N#Cc1cccc(OC2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)c1 ZINC000482076780 568254760 /nfs/dbraw/zinc/25/47/60/568254760.db2.gz OVTNRQHWQWWXHM-UHFFFAOYSA-N 1 0 362.473 3.969 20 30 FHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000569000702 568266137 /nfs/dbraw/zinc/26/61/37/568266137.db2.gz MZLQGOUWMJYURA-XHDPSFHLSA-N 1 0 352.251 3.523 20 30 FHEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]2C ZINC000541948048 568272753 /nfs/dbraw/zinc/27/27/53/568272753.db2.gz DUGDLLKOEBUFOF-JKSUJKDBSA-N 1 0 363.461 3.903 20 30 FHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cnc(-c2ccncc2)s1 ZINC000569155401 568299829 /nfs/dbraw/zinc/29/98/29/568299829.db2.gz DIMYYBZVZDRZLJ-UHFFFAOYSA-N 1 0 364.474 3.725 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1OCCCC#N ZINC000563150154 568304425 /nfs/dbraw/zinc/30/44/25/568304425.db2.gz MOADQLNKKVUNED-RTBURBONSA-N 1 0 358.482 3.769 20 30 FHEDRO N#Cc1cnn2cc(C[N@@H+](CCc3cccc(F)c3)C3CCCC3)cnc12 ZINC000569341379 568395330 /nfs/dbraw/zinc/39/53/30/568395330.db2.gz UEEJZVLTJRAWPI-UHFFFAOYSA-N 1 0 363.440 3.727 20 30 FHEDRO CN(Cc1cc(C#N)n(C)c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000365278543 568401443 /nfs/dbraw/zinc/40/14/43/568401443.db2.gz WLLMPASLEIPWNY-LJQANCHMSA-N 1 0 351.841 3.562 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000482228760 568404965 /nfs/dbraw/zinc/40/49/65/568404965.db2.gz CIIUVCZCOZCWBQ-LJQANCHMSA-N 1 0 370.541 3.848 20 30 FHEDRO CC(C)Oc1cccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000569888206 568433835 /nfs/dbraw/zinc/43/38/35/568433835.db2.gz GNOSPMTXSZXGON-UHFFFAOYSA-N 1 0 351.494 3.909 20 30 FHEDRO N#Cc1ccc(CCC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000569951633 568444269 /nfs/dbraw/zinc/44/42/69/568444269.db2.gz HXPQCIRYCQDDJT-OAQYLSRUSA-N 1 0 353.510 3.652 20 30 FHEDRO C=CCOc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000063745597 568529176 /nfs/dbraw/zinc/52/91/76/568529176.db2.gz KROZBKQUAWYUPD-UHFFFAOYSA-N 1 0 356.510 3.980 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000182031561 568560410 /nfs/dbraw/zinc/56/04/10/568560410.db2.gz NOFHKVKBUDQBQB-NRFANRHFSA-N 1 0 353.510 3.604 20 30 FHEDRO CCN(CC)c1ccc(C=[NH+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(O)c1 ZINC000821198927 599399231 /nfs/dbraw/zinc/39/92/31/599399231.db2.gz YGCQAGVWGWDDQH-DTHVTWRFSA-N 1 0 364.453 3.599 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826387022 608311179 /nfs/dbraw/zinc/31/11/79/608311179.db2.gz CPRCPDAQKWLRAO-UHFFFAOYSA-N 1 0 366.428 3.695 20 30 FHEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555187 608463758 /nfs/dbraw/zinc/46/37/58/608463758.db2.gz VHIYHBNOGXRPFG-CYBMUJFWSA-N 1 0 371.366 3.588 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cnc2ccccc2c1 ZINC000823914173 608631237 /nfs/dbraw/zinc/63/12/37/608631237.db2.gz CFJAZJSSZJSNKG-UHFFFAOYSA-N 1 0 356.433 3.603 20 30 FHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001164417276 718892319 /nfs/dbraw/zinc/89/23/19/718892319.db2.gz IUGWJLWPZXGOMC-AWEZNQCLSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cnc2cc[nH]c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c1-2 ZINC001164626896 719092365 /nfs/dbraw/zinc/09/23/65/719092365.db2.gz JNJYDPDEFMSTPG-FXAWDEMLSA-N 1 0 357.461 3.535 20 30 FHEDRO Cc1cnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c(C#C[Si](C)(C)C)c1 ZINC001164769774 721293707 /nfs/dbraw/zinc/29/37/07/721293707.db2.gz MQNCLHDNILDSBT-UHFFFAOYSA-N 1 0 353.586 3.541 20 30 FHEDRO C=CC[NH+]1CCN(c2nc(-c3cccnc3)nc3sc(C)c(C)c32)CC1 ZINC001165032434 721870363 /nfs/dbraw/zinc/87/03/63/721870363.db2.gz SBYLMPLQWKDMIS-UHFFFAOYSA-N 1 0 365.506 3.678 20 30 FHEDRO CCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000161920854 936322492 /nfs/dbraw/zinc/32/24/92/936322492.db2.gz ZCTJMPLJXCIKBE-UHFFFAOYSA-N 1 0 350.466 3.716 20 30 FHEDRO Cc1cc(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000161928394 936323493 /nfs/dbraw/zinc/32/34/93/936323493.db2.gz JLSLQSUZCFHNSG-UHFFFAOYSA-N 1 0 354.429 3.602 20 30 FHEDRO CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000548786416 937086433 /nfs/dbraw/zinc/08/64/33/937086433.db2.gz NEHDYPZPOYFUOI-NVXWUHKLSA-N 1 0 356.491 3.565 20 30 FHEDRO CC(C)(CC#N)CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000458375844 937098073 /nfs/dbraw/zinc/09/80/73/937098073.db2.gz CZETXMLQJQNUEP-UHFFFAOYSA-N 1 0 356.514 3.802 20 30 FHEDRO C=C(C)COc1cc(CN[C@@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000153789673 937099772 /nfs/dbraw/zinc/09/97/72/937099772.db2.gz ZSXBXSPAKHTNMG-QGZVFWFLSA-N 1 0 370.497 3.990 20 30 FHEDRO N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1NC(=N)SCC[NH3+] ZINC001167912552 927133584 /nfs/dbraw/zinc/13/35/84/927133584.db2.gz GKDXDFQWKXOHKW-UHFFFAOYSA-N 1 0 358.229 3.591 20 30 FHEDRO CC1(C)CCc2cc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc2O1 ZINC000430179566 927582379 /nfs/dbraw/zinc/58/23/79/927582379.db2.gz PDKIUFIHXZAAKH-LJQANCHMSA-N 1 0 363.461 3.710 20 30 FHEDRO CN(CC(C)(C)C#N)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000458408557 937186334 /nfs/dbraw/zinc/18/63/34/937186334.db2.gz LCMOEDNIROFLCO-IBGZPJMESA-N 1 0 370.541 3.651 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCCC[C@H]2C)cc1OCCCC#N ZINC000064613995 927932443 /nfs/dbraw/zinc/93/24/43/927932443.db2.gz IFGBOHWMLWWZBN-QZTJIDSGSA-N 1 0 359.514 3.730 20 30 FHEDRO CCOc1ccc(O)c(/C=N\C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000254912270 928148493 /nfs/dbraw/zinc/14/84/93/928148493.db2.gz LIGJUSPNUBKSSK-AJIWAEEYSA-N 1 0 353.466 3.830 20 30 FHEDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c1C ZINC000610216538 928214455 /nfs/dbraw/zinc/21/44/55/928214455.db2.gz NIWGSBFAUKMGOU-NZQKXSOJSA-N 1 0 364.489 3.946 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1C#N ZINC000157609721 928328385 /nfs/dbraw/zinc/32/83/85/928328385.db2.gz AFOJFZPYQLWUQB-UHFFFAOYSA-N 1 0 358.486 3.730 20 30 FHEDRO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208860279 928800488 /nfs/dbraw/zinc/80/04/88/928800488.db2.gz JHLJEOJVCGPAIZ-JOCHJYFZSA-N 1 0 367.493 3.601 20 30 FHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(C#N)cc1 ZINC001208926315 929015191 /nfs/dbraw/zinc/01/51/91/929015191.db2.gz OJUHRLKKIJIDDZ-REPLKXPHSA-N 1 0 355.482 3.621 20 30 FHEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000179787924 929025180 /nfs/dbraw/zinc/02/51/80/929025180.db2.gz ITMZJBJYZUDBLY-GOSISDBHSA-N 1 0 356.510 3.722 20 30 FHEDRO CS[C@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000134566247 929065708 /nfs/dbraw/zinc/06/57/08/929065708.db2.gz XQWNATGMQHIPSD-ZDUSSCGKSA-N 1 0 363.552 3.655 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000188252628 929100656 /nfs/dbraw/zinc/10/06/56/929100656.db2.gz ISPVBHFSNQRWCX-XMSQKQJNSA-N 1 0 358.526 3.906 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C)c2Br)CC1 ZINC000120714058 929462146 /nfs/dbraw/zinc/46/21/46/929462146.db2.gz MWHKXPOUOCNJSB-UHFFFAOYSA-N 1 0 366.303 3.920 20 30 FHEDRO C[C@@H]([N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000045769627 929546452 /nfs/dbraw/zinc/54/64/52/929546452.db2.gz SUICIWPWRUPPAL-CQSZACIVSA-N 1 0 354.416 3.540 20 30 FHEDRO N#CC1(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCC1 ZINC000134894660 929562908 /nfs/dbraw/zinc/56/29/08/929562908.db2.gz YBSLMHHSVBTBGV-UHFFFAOYSA-N 1 0 353.510 3.531 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000246308795 929601270 /nfs/dbraw/zinc/60/12/70/929601270.db2.gz CICAMYLPDUTDQH-HZPDHXFCSA-N 1 0 358.461 3.816 20 30 FHEDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000023678094 929693137 /nfs/dbraw/zinc/69/31/37/929693137.db2.gz XUXYCSDHYTWZEH-PZJWPPBQSA-N 1 0 356.441 3.618 20 30 FHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(OC)c1 ZINC000161667472 937364227 /nfs/dbraw/zinc/36/42/27/937364227.db2.gz FSSGCLGRIYNLKI-HXUWFJFHSA-N 1 0 350.466 3.672 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000610317636 929881610 /nfs/dbraw/zinc/88/16/10/929881610.db2.gz MVGBREYPUDYOOJ-KRWDZBQOSA-N 1 0 371.828 3.764 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178865567 937369678 /nfs/dbraw/zinc/36/96/78/937369678.db2.gz FPGKIVREABXILI-UHFFFAOYSA-N 1 0 354.498 3.987 20 30 FHEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1=O ZINC000610346472 930056864 /nfs/dbraw/zinc/05/68/64/930056864.db2.gz VKQXFDKWTONACB-KXBFYZLASA-N 1 0 351.425 3.852 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610348453 930062942 /nfs/dbraw/zinc/06/29/42/930062942.db2.gz KUURBTOQKBMXDP-KRWDZBQOSA-N 1 0 364.493 3.959 20 30 FHEDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(C#N)c1 ZINC000610351041 930076519 /nfs/dbraw/zinc/07/65/19/930076519.db2.gz IUFKDLFZEIXSPG-UWJYYQICSA-N 1 0 368.525 3.963 20 30 FHEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000156104438 937396722 /nfs/dbraw/zinc/39/67/22/937396722.db2.gz BROFTXBYGUMPNS-FQEVSTJZSA-N 1 0 374.444 3.521 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000074877127 937403820 /nfs/dbraw/zinc/40/38/20/937403820.db2.gz NBQZAUIJYCERDI-LEWJYISDSA-N 1 0 371.525 3.555 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000560983540 930266974 /nfs/dbraw/zinc/26/69/74/930266974.db2.gz BQCMYNXCIDBYTM-LBPRGKRZSA-N 1 0 363.339 3.746 20 30 FHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000580153779 930311307 /nfs/dbraw/zinc/31/13/07/930311307.db2.gz VIFLLZWSOHYKNK-JOCHJYFZSA-N 1 0 372.472 3.838 20 30 FHEDRO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)c1cccc(C#N)c1 ZINC000610408461 930417043 /nfs/dbraw/zinc/41/70/43/930417043.db2.gz XVYOLSJJNQOSTK-WSTZPKSXSA-N 1 0 368.525 3.915 20 30 FHEDRO CC(C)n1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000580287058 930440143 /nfs/dbraw/zinc/44/01/43/930440143.db2.gz ZDNDMTYLASSZFD-ZDUSSCGKSA-N 1 0 359.861 3.668 20 30 FHEDRO C[NH+](C)Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2Br)c1 ZINC000610429031 930516701 /nfs/dbraw/zinc/51/67/01/930516701.db2.gz KOJIBGCVFUPLQX-KRWDZBQOSA-N 1 0 372.266 3.505 20 30 FHEDRO C[C@H](NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)c1cccc(C#N)c1 ZINC000074918446 930594822 /nfs/dbraw/zinc/59/48/22/930594822.db2.gz XVYOLSJJNQOSTK-HBFSDRIKSA-N 1 0 368.525 3.915 20 30 FHEDRO C=CC[N@H+](CC1CCCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC001167391330 930614679 /nfs/dbraw/zinc/61/46/79/930614679.db2.gz HREMIVWMTHUVPH-RXVVDRJESA-N 1 0 366.546 3.815 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3cc(F)ccc32)c(OC)c1 ZINC000580460941 930701760 /nfs/dbraw/zinc/70/17/60/930701760.db2.gz VABIMKNBNHFTOY-ICSRJNTNSA-N 1 0 371.452 3.580 20 30 FHEDRO CC1CCC([NH+]2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)CC1 ZINC000579752374 930938675 /nfs/dbraw/zinc/93/86/75/930938675.db2.gz QJXSJIDLEJXVRO-UHFFFAOYSA-N 1 0 371.529 3.843 20 30 FHEDRO C[NH+](C)CCc1ccccc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000275925924 930941697 /nfs/dbraw/zinc/94/16/97/930941697.db2.gz XLYMOCKAANZPTK-UHFFFAOYSA-N 1 0 365.477 3.850 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCCC)c2)cc1 ZINC000160587528 930985785 /nfs/dbraw/zinc/98/57/85/930985785.db2.gz DKJMGTFZFORDEZ-KRWDZBQOSA-N 1 0 350.462 3.689 20 30 FHEDRO Cc1cc(N2CCC([NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2)n[nH]1 ZINC000275967587 931107818 /nfs/dbraw/zinc/10/78/18/931107818.db2.gz WPJHIKRDSNIDMG-UHFFFAOYSA-N 1 0 363.509 3.681 20 30 FHEDRO N#Cc1ccc(CN2CC[NH+](CCOc3cccc4ccccc43)CC2)cc1 ZINC000064950151 931176962 /nfs/dbraw/zinc/17/69/62/931176962.db2.gz BCYBQYHJXCTJEG-UHFFFAOYSA-N 1 0 371.484 3.908 20 30 FHEDRO CN(C)c1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160649514 931186013 /nfs/dbraw/zinc/18/60/13/931186013.db2.gz FBYLIJOYSOVESE-UHFFFAOYSA-N 1 0 352.360 3.578 20 30 FHEDRO C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000580846455 931260872 /nfs/dbraw/zinc/26/08/72/931260872.db2.gz MBAJPTWXMDCUGA-LJQANCHMSA-N 1 0 359.562 3.755 20 30 FHEDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000177855990 931350793 /nfs/dbraw/zinc/35/07/93/931350793.db2.gz GCCNLEUAATULOB-CQSZACIVSA-N 1 0 373.859 3.878 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000160697134 931364913 /nfs/dbraw/zinc/36/49/13/931364913.db2.gz DEOVXOFIYKHJQG-GCJKJVERSA-N 1 0 362.473 3.713 20 30 FHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000580932975 931365916 /nfs/dbraw/zinc/36/59/16/931365916.db2.gz TVRBSIHJHJTNQB-UHFFFAOYSA-N 1 0 365.481 3.745 20 30 FHEDRO Cc1nc(C)c(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)s1 ZINC000160729658 931466071 /nfs/dbraw/zinc/46/60/71/931466071.db2.gz KQEZKTBNWFJUPX-UHFFFAOYSA-N 1 0 358.389 3.628 20 30 FHEDRO C[NH+]=C(NCc1csc2ccccc12)NC[C@](C)(O)c1cccs1 ZINC000261811444 931522098 /nfs/dbraw/zinc/52/20/98/931522098.db2.gz SRXBWEBQNCRWDL-SFHVURJKSA-N 1 0 359.520 3.536 20 30 FHEDRO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000610476077 931543488 /nfs/dbraw/zinc/54/34/88/931543488.db2.gz ZEYHPQATZFFAIZ-MRXNPFEDSA-N 1 0 354.498 3.716 20 30 FHEDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000610476897 931557032 /nfs/dbraw/zinc/55/70/32/931557032.db2.gz RIQLSHZQUMXVLU-QGCDCVKKSA-N 1 0 368.452 3.715 20 30 FHEDRO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1 ZINC000610488717 931722614 /nfs/dbraw/zinc/72/26/14/931722614.db2.gz CAENVVBYUSALSQ-HNNXBMFYSA-N 1 0 365.380 3.534 20 30 FHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(F)c(F)cc1OC)C2 ZINC001143390764 931771950 /nfs/dbraw/zinc/77/19/50/931771950.db2.gz ZZPHUKWGZRWBRR-PMACEKPBSA-N 1 0 367.436 3.547 20 30 FHEDRO N#Cc1ccc([C@H]([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C(N)=O)cc1 ZINC000581300579 931800708 /nfs/dbraw/zinc/80/07/08/931800708.db2.gz VPDBAZVVHDIBQH-WDSOQIARSA-N 1 0 353.853 3.664 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000477077985 931869802 /nfs/dbraw/zinc/86/98/02/931869802.db2.gz UWDKUFKUYRRVDO-HXUWFJFHSA-N 1 0 374.440 3.616 20 30 FHEDRO C=CC[S@](=O)(=NC(=O)C[C@@H](n1ccnc1)C(F)(F)F)c1ccccc1 ZINC000891382567 931981820 /nfs/dbraw/zinc/98/18/20/931981820.db2.gz PDMHKEKEYWBZPY-DLUDVSRJSA-N 1 0 371.384 3.616 20 30 FHEDRO CC[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000581461421 932094489 /nfs/dbraw/zinc/09/44/89/932094489.db2.gz ONDRBAVZGMKVIU-SFHVURJKSA-N 1 0 350.422 3.567 20 30 FHEDRO CC[NH2+]CCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000581476561 932129641 /nfs/dbraw/zinc/12/96/41/932129641.db2.gz VEXXPLKISGMZFB-UHFFFAOYSA-N 1 0 366.465 3.567 20 30 FHEDRO C#CCC1([NH2+]Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)CCC1 ZINC000933300682 932223267 /nfs/dbraw/zinc/22/32/67/932223267.db2.gz JNRRKKWAZOLITR-UHFFFAOYSA-N 1 0 367.518 3.977 20 30 FHEDRO NC(=O)[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)c1ccc(F)cc1 ZINC000656687594 932329187 /nfs/dbraw/zinc/32/91/87/932329187.db2.gz DJSOOMRIRCPGBS-LBPRGKRZSA-N 1 0 374.300 3.995 20 30 FHEDRO NC(=O)[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)c1ccc(F)cc1 ZINC000656687593 932329292 /nfs/dbraw/zinc/32/92/92/932329292.db2.gz DJSOOMRIRCPGBS-GFCCVEGCSA-N 1 0 374.300 3.995 20 30 FHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccc(F)cc1C#N)[NH+](C)C ZINC000477161305 932360852 /nfs/dbraw/zinc/36/08/52/932360852.db2.gz LULAGFCOUCQSDQ-AUUYWEPGSA-N 1 0 354.429 3.819 20 30 FHEDRO CCCCCCC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000157342215 932375005 /nfs/dbraw/zinc/37/50/05/932375005.db2.gz JHUWMSIFSBZRMW-UHFFFAOYSA-N 1 0 351.922 3.867 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000328824381 932717305 /nfs/dbraw/zinc/71/73/05/932717305.db2.gz HAAIIARBSFIQMG-UXHICEINSA-N 1 0 369.509 3.690 20 30 FHEDRO CC(C)(C#N)C(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001143399165 932767011 /nfs/dbraw/zinc/76/70/11/932767011.db2.gz ISIXEOQSKXYLAQ-OAQYLSRUSA-N 1 0 361.489 3.839 20 30 FHEDRO N#Cc1cccc(NC(=O)CCN2CC[C@](F)(c3ccccc3F)C2)c1 ZINC000581896559 932915094 /nfs/dbraw/zinc/91/50/94/932915094.db2.gz JEQGIUMDYXTUED-HXUWFJFHSA-N 1 0 355.388 3.597 20 30 FHEDRO Cc1ccc(C)c(OC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000178304141 933098573 /nfs/dbraw/zinc/09/85/73/933098573.db2.gz YUZWSJBJWHCVCN-OAQYLSRUSA-N 1 0 350.462 3.752 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2c(CC)noc2CC)c1 ZINC000087001733 933126996 /nfs/dbraw/zinc/12/69/96/933126996.db2.gz NLDACSLZSFWKBW-UHFFFAOYSA-N 1 0 360.458 3.524 20 30 FHEDRO N#Cc1ccc(CN2CCC[N@H+](CCSCc3ccccc3)CC2)cc1 ZINC000430763504 933217436 /nfs/dbraw/zinc/21/74/36/933217436.db2.gz PYVWPJFIWMVHBG-UHFFFAOYSA-N 1 0 365.546 3.999 20 30 FHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548388679 933295259 /nfs/dbraw/zinc/29/52/59/933295259.db2.gz UYBNDXQFZCOTPC-UHFFFAOYSA-N 1 0 359.470 3.764 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000430836383 933297933 /nfs/dbraw/zinc/29/79/33/933297933.db2.gz IYTFZWIDNXEACW-IEBWSBKVSA-N 1 0 359.539 3.667 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000510692687 933439250 /nfs/dbraw/zinc/43/92/50/933439250.db2.gz HCWWFXITWLTYAR-HZPDHXFCSA-N 1 0 358.486 3.587 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(F)c(C#N)c1 ZINC000548415612 933556251 /nfs/dbraw/zinc/55/62/51/933556251.db2.gz STDWPMIAXNFETF-JIPZTSHUSA-N 1 0 365.452 3.584 20 30 FHEDRO N#Cc1cc(F)c(N2CCC([NH+]3CCCCC3)CC2)cc1Br ZINC000320223444 933706998 /nfs/dbraw/zinc/70/69/98/933706998.db2.gz LBMPYGQQAJVNED-UHFFFAOYSA-N 1 0 366.278 3.915 20 30 FHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000510785614 933727002 /nfs/dbraw/zinc/72/70/02/933727002.db2.gz WAGWJLKHSCROSN-SFHVURJKSA-N 1 0 353.510 3.771 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC#N)cc1 ZINC000276891132 933880810 /nfs/dbraw/zinc/88/08/10/933880810.db2.gz HSBHACJTCLZROK-JXFKEZNVSA-N 1 0 355.482 3.563 20 30 FHEDRO COc1cc(Br)ccc1CCC[NH+]1CCC(F)(C#N)CC1 ZINC000510871582 933913824 /nfs/dbraw/zinc/91/38/24/933913824.db2.gz GGQYFJAJNDDCFV-UHFFFAOYSA-N 1 0 355.251 3.718 20 30 FHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000610718306 933935919 /nfs/dbraw/zinc/93/59/19/933935919.db2.gz LSVYCAJMMYWQJK-CYBMUJFWSA-N 1 0 354.376 3.573 20 30 FHEDRO CC(C)CCN(CCC#N)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093100878 934095322 /nfs/dbraw/zinc/09/53/22/934095322.db2.gz QKKRJVZSPPWJSI-UHFFFAOYSA-N 1 0 356.558 3.979 20 30 FHEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092730701 934150955 /nfs/dbraw/zinc/15/09/55/934150955.db2.gz KRDZDLDBASIDEH-AZUAARDMSA-N 1 0 371.525 3.886 20 30 FHEDRO CC(C)(CCC#N)C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000092737130 934156779 /nfs/dbraw/zinc/15/67/79/934156779.db2.gz FMMSUICMXHNWPK-UHFFFAOYSA-N 1 0 357.267 3.712 20 30 FHEDRO N#CC1(F)CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000510934816 934190856 /nfs/dbraw/zinc/19/08/56/934190856.db2.gz RQFILQWCXXTOSZ-LJQANCHMSA-N 1 0 371.481 3.671 20 30 FHEDRO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000510944396 934207454 /nfs/dbraw/zinc/20/74/54/934207454.db2.gz JVYPNLRDUWBTBU-FGZHOGPDSA-N 1 0 361.489 3.833 20 30 FHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000510972202 934231636 /nfs/dbraw/zinc/23/16/36/934231636.db2.gz XTLIKLVROKJJEG-BBWFWOEESA-N 1 0 356.514 3.976 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)CCC2 ZINC000535693715 934288273 /nfs/dbraw/zinc/28/82/73/934288273.db2.gz YPRMZAGDLOQGEA-UHFFFAOYSA-N 1 0 372.516 3.934 20 30 FHEDRO COc1cccc(/C=N/C[C@H](c2ccccc2OC)[NH+]2CCCC2)c1O ZINC000022769449 934355839 /nfs/dbraw/zinc/35/58/39/934355839.db2.gz ALFRYKCINRFVMQ-SDLXJUDFSA-N 1 0 354.450 3.665 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000610856093 934520520 /nfs/dbraw/zinc/52/05/20/934520520.db2.gz HOCCQHDDNDOWNT-NWDGAFQWSA-N 1 0 373.359 3.558 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1F ZINC000458274388 934576338 /nfs/dbraw/zinc/57/63/38/934576338.db2.gz MZVJMLRPVGPNIF-UHFFFAOYSA-N 1 0 369.440 3.820 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458299140 934611651 /nfs/dbraw/zinc/61/16/51/934611651.db2.gz AWDXXOMXWPTEOM-UYAOXDASSA-N 1 0 356.514 3.841 20 30 FHEDRO CC(C)[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCCC1 ZINC000458313487 934668317 /nfs/dbraw/zinc/66/83/17/934668317.db2.gz UPAXFUBLQPOLQT-PMACEKPBSA-N 1 0 356.514 3.841 20 30 FHEDRO C=C(C)[C@H](CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)OCC ZINC000535883997 934702878 /nfs/dbraw/zinc/70/28/78/934702878.db2.gz ZBNUDVCOHQDLAR-NRFANRHFSA-N 1 0 358.526 3.728 20 30 FHEDRO COc1cc(CCC2CC[NH+](Cc3ccnc(C#N)c3)CC2)cc(OC)c1 ZINC000610991375 934719920 /nfs/dbraw/zinc/71/99/20/934719920.db2.gz BLYSCHHYRLQPRG-UHFFFAOYSA-N 1 0 365.477 3.815 20 30 FHEDRO CC1(C)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@H]1c1ccccc1 ZINC000610989192 934721123 /nfs/dbraw/zinc/72/11/23/934721123.db2.gz XWGGKORRGMBJKR-CTNGQTDRSA-N 1 0 350.462 3.575 20 30 FHEDRO C[C@H](C#N)Oc1ccc(CNCc2nnc(-c3ccccc3)s2)cc1 ZINC000151256067 934763523 /nfs/dbraw/zinc/76/35/23/934763523.db2.gz GBAAUMVKTHKDSL-CQSZACIVSA-N 1 0 350.447 3.786 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2coc(C#N)c2)n1 ZINC000866863821 934866694 /nfs/dbraw/zinc/86/66/94/934866694.db2.gz BLWRVPPCGKENFL-UHFFFAOYSA-N 1 0 352.394 3.589 20 30 FHEDRO C[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)C[NH+]1CCCCC1 ZINC000431285169 934873901 /nfs/dbraw/zinc/87/39/01/934873901.db2.gz SSEILKGGIVCSPB-ICSRJNTNSA-N 1 0 356.514 3.843 20 30 FHEDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000538725271 934893038 /nfs/dbraw/zinc/89/30/38/934893038.db2.gz JPAYNLAGDIGHLS-QFIPXVFZSA-N 1 0 364.445 3.522 20 30 FHEDRO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000329030808 934919390 /nfs/dbraw/zinc/91/93/90/934919390.db2.gz WZEGCASRWUGULU-HNNXBMFYSA-N 1 0 365.543 3.772 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ncc(Cl)s3)C2)c(F)c1 ZINC000472070377 934935708 /nfs/dbraw/zinc/93/57/08/934935708.db2.gz QFYKAZBYLFEWRS-GFCCVEGCSA-N 1 0 350.850 3.566 20 30 FHEDRO N#Cc1ccccc1NC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728445679 934952052 /nfs/dbraw/zinc/95/20/52/934952052.db2.gz JKBQUTQPZMYYRP-QGZVFWFLSA-N 1 0 356.539 3.843 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](OC)c2ccccc2)c1 ZINC000104161371 935004318 /nfs/dbraw/zinc/00/43/18/935004318.db2.gz JRGGZLGPECOPQW-LJQANCHMSA-N 1 0 357.454 3.598 20 30 FHEDRO C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548612914 935007809 /nfs/dbraw/zinc/00/78/09/935007809.db2.gz BGAISKFICLKFGW-KXBFYZLASA-N 1 0 367.880 3.852 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548616119 935014042 /nfs/dbraw/zinc/01/40/42/935014042.db2.gz RJIKZQHJTYOFHE-MGPUTAFESA-N 1 0 367.880 3.852 20 30 FHEDRO N#CC[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000375654781 935030128 /nfs/dbraw/zinc/03/01/28/935030128.db2.gz KHQNROABHBAZOG-IRLDBZIGSA-N 1 0 361.489 3.712 20 30 FHEDRO N#CC[C@@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000375654784 935030490 /nfs/dbraw/zinc/03/04/90/935030490.db2.gz KHQNROABHBAZOG-UNMCSNQZSA-N 1 0 361.489 3.712 20 30 FHEDRO CCCN(CC[NH+](C)C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115370988 935076575 /nfs/dbraw/zinc/07/65/75/935076575.db2.gz KOXCJVJSLOMBNX-UHFFFAOYSA-N 1 0 365.477 3.551 20 30 FHEDRO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)O[C@@H](C)C2 ZINC000105487533 935089186 /nfs/dbraw/zinc/08/91/86/935089186.db2.gz ZGUWXLXZMCJITJ-GJZGRUSLSA-N 1 0 352.434 3.772 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000548639835 935097443 /nfs/dbraw/zinc/09/74/43/935097443.db2.gz UHUQQTVARHAMKC-KBXCAEBGSA-N 1 0 353.853 3.604 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)CC1 ZINC000728464175 935142219 /nfs/dbraw/zinc/14/22/19/935142219.db2.gz DOOIPDKPFIBATP-UHFFFAOYSA-N 1 0 356.853 3.811 20 30 FHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000157771598 935184955 /nfs/dbraw/zinc/18/49/55/935184955.db2.gz FQMHCVWAELVOHA-INIZCTEOSA-N 1 0 367.497 3.544 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@@H](C)CCc2ccc(Br)cc2)nn1 ZINC000657326390 935224207 /nfs/dbraw/zinc/22/42/07/935224207.db2.gz MNIQRBWDDDOONH-AWEZNQCLSA-N 1 0 363.303 3.728 20 30 FHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCCC3)n2c1 ZINC000516631708 945087456 /nfs/dbraw/zinc/08/74/56/945087456.db2.gz SPHJODLHDBWORE-QFIPXVFZSA-N 1 0 374.488 3.980 20 30 FHEDRO C=CC[C@@H](C(=O)N1CCN(Cc2ccccc2OC)CC1)c1ccccc1 ZINC000427098066 945089470 /nfs/dbraw/zinc/08/94/70/945089470.db2.gz ZLNNAHQCVDLGOV-OAQYLSRUSA-N 1 0 364.489 3.699 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)CCC=C2 ZINC000551516805 935301752 /nfs/dbraw/zinc/30/17/52/935301752.db2.gz YEMJKBADSCYQHH-UHFFFAOYSA-N 1 0 359.473 3.722 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1cccc(Br)c1 ZINC000321078561 935312843 /nfs/dbraw/zinc/31/28/43/935312843.db2.gz DEZSVKPGSMXSQL-UHFFFAOYSA-N 1 0 372.266 3.781 20 30 FHEDRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000551708147 935331688 /nfs/dbraw/zinc/33/16/88/935331688.db2.gz JQIAZTOIOWLPMC-KRWDZBQOSA-N 1 0 356.853 3.539 20 30 FHEDRO N#Cc1cccc(OCC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000551718221 935333242 /nfs/dbraw/zinc/33/32/42/935333242.db2.gz UBGVDXHRVGMDQB-GOSISDBHSA-N 1 0 372.266 3.835 20 30 FHEDRO N#Cc1cnn2cc(C[N@H+](CCc3ccc(Cl)cc3)CC3CC3)cnc12 ZINC000582181612 935381738 /nfs/dbraw/zinc/38/17/38/935381738.db2.gz FZLLPJQXUNUOCA-UHFFFAOYSA-N 1 0 365.868 3.709 20 30 FHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cccc(F)c3C#N)c2)CC1 ZINC000427111901 945097859 /nfs/dbraw/zinc/09/78/59/945097859.db2.gz XEEHLOSLWVQJJW-UHFFFAOYSA-N 1 0 365.452 3.859 20 30 FHEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000478097134 935569219 /nfs/dbraw/zinc/56/92/19/935569219.db2.gz VYWYEIMCFTUHOR-QGZVFWFLSA-N 1 0 360.820 3.775 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2)c(F)c1 ZINC000478280954 935605455 /nfs/dbraw/zinc/60/54/55/935605455.db2.gz STFPNPPUXQBBME-OAHLLOKOSA-N 1 0 372.375 3.503 20 30 FHEDRO Cn1cc(C[NH2+]CC(C)(C)Oc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000478388046 935625843 /nfs/dbraw/zinc/62/58/43/935625843.db2.gz SZOWVOSHDQTXTN-UHFFFAOYSA-N 1 0 360.461 3.906 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120263 935679833 /nfs/dbraw/zinc/67/98/33/935679833.db2.gz CTJLEPLOFHOARN-OAHLLOKOSA-N 1 0 372.431 3.873 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000511787893 945118157 /nfs/dbraw/zinc/11/81/57/945118157.db2.gz SJNOFFLPMRANHK-INIZCTEOSA-N 1 0 371.500 3.746 20 30 FHEDRO CC[NH+](CC)CCNC(=O)c1ccc(O[C@H](C)c2cccc(C#N)c2)cc1 ZINC000478811739 935729953 /nfs/dbraw/zinc/72/99/53/935729953.db2.gz FTJDLKQWRSNBLE-QGZVFWFLSA-N 1 0 365.477 3.770 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176325463 935740869 /nfs/dbraw/zinc/74/08/69/935740869.db2.gz CFLVASIBXMXULB-UHFFFAOYSA-N 1 0 370.497 3.876 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000660515757 945122197 /nfs/dbraw/zinc/12/21/97/945122197.db2.gz XMOMSHSUBAPUAV-OKZBNKHCSA-N 1 0 359.539 3.853 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000660515756 945122468 /nfs/dbraw/zinc/12/24/68/945122468.db2.gz XMOMSHSUBAPUAV-KURKYZTESA-N 1 0 359.539 3.853 20 30 FHEDRO N#CCC[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000158971957 935775273 /nfs/dbraw/zinc/77/52/73/935775273.db2.gz SZMVJHIDZWBSSZ-MOPGFXCFSA-N 1 0 366.465 3.761 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000562068646 935777411 /nfs/dbraw/zinc/77/74/11/935777411.db2.gz YUSHWVLIPHNTSW-GFCCVEGCSA-N 1 0 365.321 3.551 20 30 FHEDRO C[NH+](C)CC1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000431431089 935789540 /nfs/dbraw/zinc/78/95/40/935789540.db2.gz NTEFTCWQYRWLPX-UUKMXZOPSA-N 1 0 356.514 3.841 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000582520211 935795003 /nfs/dbraw/zinc/79/50/03/935795003.db2.gz RGOVBYPDMZKLHI-ICSRJNTNSA-N 1 0 367.541 3.906 20 30 FHEDRO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000563392207 935830559 /nfs/dbraw/zinc/83/05/59/935830559.db2.gz GISWSLYJNUMZPZ-GOSISDBHSA-N 1 0 360.461 3.593 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccccc1C#N ZINC000023994845 935878053 /nfs/dbraw/zinc/87/80/53/935878053.db2.gz IHHCSONYYGGNJR-QWHCGFSZSA-N 1 0 372.266 3.999 20 30 FHEDRO C=CCCn1cc(CNc2ccc(SCC[NH+]3CCCC3)cc2)nn1 ZINC000657500793 935881918 /nfs/dbraw/zinc/88/19/18/935881918.db2.gz MOUFXQRMAUZKNM-UHFFFAOYSA-N 1 0 357.527 3.654 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1OC ZINC000237262370 935885473 /nfs/dbraw/zinc/88/54/73/935885473.db2.gz CGJHIPGJZAWBNP-IBGZPJMESA-N 1 0 368.477 3.813 20 30 FHEDRO C[NH+](C)CCc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000582675014 935929132 /nfs/dbraw/zinc/92/91/32/935929132.db2.gz UFXWMTPGFGZRDA-FGZHOGPDSA-N 1 0 361.489 3.703 20 30 FHEDRO N#Cc1ccccc1/C=C\C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000255525485 935967735 /nfs/dbraw/zinc/96/77/35/935967735.db2.gz UPRHCSMMIWYPPN-YPKPFQOOSA-N 1 0 373.500 3.739 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)ccc1OC ZINC000657542543 935988408 /nfs/dbraw/zinc/98/84/08/935988408.db2.gz ZIPDZPIFRTUNPD-UHFFFAOYSA-N 1 0 368.477 3.576 20 30 FHEDRO CCSc1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000187795634 936015768 /nfs/dbraw/zinc/01/57/68/936015768.db2.gz HXMQUNIXUFXKQT-UHFFFAOYSA-N 1 0 366.534 3.819 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc2ccccc21 ZINC000507319741 945140323 /nfs/dbraw/zinc/14/03/23/945140323.db2.gz POFDJGULMJGZMI-VGOFRKELSA-N 1 0 351.494 3.757 20 30 FHEDRO C=CCC1([NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CCOCC1 ZINC000657633160 936127826 /nfs/dbraw/zinc/12/78/26/936127826.db2.gz JCSRFPIOZVKKIT-UHFFFAOYSA-N 1 0 353.388 3.807 20 30 FHEDRO C=CCOCCC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000657658374 936176754 /nfs/dbraw/zinc/17/67/54/936176754.db2.gz UZVAZEQRKZEVNE-UHFFFAOYSA-N 1 0 364.287 3.626 20 30 FHEDRO C=CCOCCC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000657658299 936177159 /nfs/dbraw/zinc/17/71/59/936177159.db2.gz RLGRMVQVBUTAGF-UHFFFAOYSA-N 1 0 350.203 3.733 20 30 FHEDRO CC[C@H](C#N)Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1 ZINC000127041910 938252284 /nfs/dbraw/zinc/25/22/84/938252284.db2.gz BRZWHBSJHHEKDG-OAHLLOKOSA-N 1 0 361.902 3.911 20 30 FHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@](C)(C#N)C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000583455245 938260454 /nfs/dbraw/zinc/26/04/54/938260454.db2.gz UBSSCIXWGNSMEY-RKVPGOIHSA-N 1 0 373.463 3.874 20 30 FHEDRO C[C@@H](c1nc(-c2ccccc2)no1)N(C)CCOCc1ccc(C#N)cc1 ZINC000583464418 938264742 /nfs/dbraw/zinc/26/47/42/938264742.db2.gz REZOWLMEXFJDIZ-INIZCTEOSA-N 1 0 362.433 3.818 20 30 FHEDRO COc1ccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1O ZINC000583492598 938277375 /nfs/dbraw/zinc/27/73/75/938277375.db2.gz QZBHSFGGEVILAT-NNGSBXSVSA-N 1 0 367.449 3.708 20 30 FHEDRO Cc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC(C)(C)C)cc1 ZINC000127685669 938280909 /nfs/dbraw/zinc/28/09/09/938280909.db2.gz FBIRAFAKVWEFEK-UHFFFAOYSA-O 1 0 363.453 3.888 20 30 FHEDRO CCc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cnn1-c1ccc(F)cc1 ZINC000329182021 938281523 /nfs/dbraw/zinc/28/15/23/938281523.db2.gz OVWNTJNJFZPSMF-INIZCTEOSA-N 1 0 370.472 3.895 20 30 FHEDRO Cn1cc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000583562397 938305535 /nfs/dbraw/zinc/30/55/35/938305535.db2.gz RCSRWIIKRXTBBM-NRFANRHFSA-N 1 0 358.445 3.612 20 30 FHEDRO C=C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)c1ccccc1 ZINC000245643308 938309353 /nfs/dbraw/zinc/30/93/53/938309353.db2.gz KZWGRFUPCZBPHF-ZVDOUQERSA-N 1 0 358.526 3.600 20 30 FHEDRO C=CC[C@H](C)NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245648841 938309379 /nfs/dbraw/zinc/30/93/79/938309379.db2.gz BWWJBGACWBLPHG-JDFRZJQESA-N 1 0 353.869 3.736 20 30 FHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000245737311 938311553 /nfs/dbraw/zinc/31/15/53/938311553.db2.gz QZOFXWGUXLYBTF-NVXWUHKLSA-N 1 0 360.527 3.742 20 30 FHEDRO C=CCN(Cc1cccs1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000583604706 938318670 /nfs/dbraw/zinc/31/86/70/938318670.db2.gz HOGPDAXLUILERU-IBGZPJMESA-N 1 0 351.475 3.803 20 30 FHEDRO C=CCN(Cc1cccs1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000583604707 938318762 /nfs/dbraw/zinc/31/87/62/938318762.db2.gz HOGPDAXLUILERU-LJQANCHMSA-N 1 0 351.475 3.803 20 30 FHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329315481 938346281 /nfs/dbraw/zinc/34/62/81/938346281.db2.gz QLAHYOCSCSMDNZ-HNNXBMFYSA-N 1 0 372.419 3.772 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc(OC)c1O ZINC000583665925 938349102 /nfs/dbraw/zinc/34/91/02/938349102.db2.gz UJQZFOCHJNYIRF-FQEVSTJZSA-N 1 0 364.489 3.766 20 30 FHEDRO C#CCSCC[NH2+]Cc1cc(Br)c(OCCC)c(OC)c1 ZINC000219220818 938353484 /nfs/dbraw/zinc/35/34/84/938353484.db2.gz ABUUMRJYCOMWSU-UHFFFAOYSA-N 1 0 372.328 3.703 20 30 FHEDRO C=C(C)[C@H](NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000458675391 938410293 /nfs/dbraw/zinc/41/02/93/938410293.db2.gz OQQLXNFREXKSNC-KSSFIOAISA-N 1 0 351.441 3.613 20 30 FHEDRO CCC(CC)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)on1 ZINC000151145915 938414187 /nfs/dbraw/zinc/41/41/87/938414187.db2.gz GSPUWLIREXZBAZ-UHFFFAOYSA-N 1 0 368.481 3.654 20 30 FHEDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000583843765 938447166 /nfs/dbraw/zinc/44/71/66/938447166.db2.gz CYCWVXWMQUKHPT-SFHVURJKSA-N 1 0 364.367 3.751 20 30 FHEDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000583859461 938453806 /nfs/dbraw/zinc/45/38/06/938453806.db2.gz AJODYMAGLGWHTN-GOSISDBHSA-N 1 0 350.422 3.613 20 30 FHEDRO CC[NH+](CC)[C@H](CNc1nc2cc(Cl)ccn2c1C#N)c1ccco1 ZINC000583951692 938498070 /nfs/dbraw/zinc/49/80/70/938498070.db2.gz LLRYDUKHNSSZTC-OAHLLOKOSA-N 1 0 357.845 3.947 20 30 FHEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000583960903 938505738 /nfs/dbraw/zinc/50/57/38/938505738.db2.gz AFYJHLFEYUJSPZ-GJZGRUSLSA-N 1 0 366.427 3.587 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1cccc(C)c1 ZINC000132971182 938551973 /nfs/dbraw/zinc/55/19/73/938551973.db2.gz BNTHXYICGOJYMC-UHFFFAOYSA-O 1 0 369.510 3.704 20 30 FHEDRO C[C@H]1C[C@H](CNC(=O)Nc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000158655995 938562073 /nfs/dbraw/zinc/56/20/73/938562073.db2.gz BKDPKBUBKZUIBN-FXAWDEMLSA-N 1 0 362.477 3.785 20 30 FHEDRO CC(=O)N[C@@H](CC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccs1 ZINC000329651307 938576595 /nfs/dbraw/zinc/57/65/95/938576595.db2.gz CTBPIMJWGQJELU-KRWDZBQOSA-N 1 0 363.527 3.633 20 30 FHEDRO C(=[NH+]OCCCOCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000255585072 938578035 /nfs/dbraw/zinc/57/80/35/938578035.db2.gz AGBQWAJXMKSAGL-UHFFFAOYSA-N 1 0 368.477 3.523 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000584086891 938590331 /nfs/dbraw/zinc/59/03/31/938590331.db2.gz QXDAUYJUHWNLKL-UHFFFAOYSA-N 1 0 353.514 3.517 20 30 FHEDRO CCCCNC(=O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000052797968 938596420 /nfs/dbraw/zinc/59/64/20/938596420.db2.gz DEEJUVZNFBJXNS-UHFFFAOYSA-N 1 0 353.441 3.616 20 30 FHEDRO N#CCCn1cc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(-c2ccncc2)n1 ZINC000278634790 938604153 /nfs/dbraw/zinc/60/41/53/938604153.db2.gz KWYVEWPQRGFUQP-YPAWHYETSA-N 1 0 369.472 3.534 20 30 FHEDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(CC#N)cc1 ZINC000584112982 938605737 /nfs/dbraw/zinc/60/57/37/938605737.db2.gz VEEZPONUHTWQNN-INIZCTEOSA-N 1 0 369.896 3.933 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCc2cc(C)ccc2OC(F)F)cc1OC ZINC000134008794 938609765 /nfs/dbraw/zinc/60/97/65/938609765.db2.gz KQPNBLOPAOCBGP-UHFFFAOYSA-N 1 0 365.380 3.540 20 30 FHEDRO Cc1csc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000584151199 938618887 /nfs/dbraw/zinc/61/88/87/938618887.db2.gz JJIWMNSFLXQJIM-SUMWQHHRSA-N 1 0 354.479 3.570 20 30 FHEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c2)cc1 ZINC000329697501 938626609 /nfs/dbraw/zinc/62/66/09/938626609.db2.gz YKGHRTAUCILESU-OAQYLSRUSA-N 1 0 360.461 3.612 20 30 FHEDRO CCOc1ccc(O)c(/C=N\C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000588592089 938673621 /nfs/dbraw/zinc/67/36/21/938673621.db2.gz IFLXUNYJPCURDI-VLDJDNEVSA-N 1 0 368.477 3.501 20 30 FHEDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000080694986 938680087 /nfs/dbraw/zinc/68/00/87/938680087.db2.gz NGGFKSHKLXAOLO-INIZCTEOSA-N 1 0 355.404 3.514 20 30 FHEDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278721913 938685766 /nfs/dbraw/zinc/68/57/66/938685766.db2.gz SUPBERIJWWZEJK-PXNSSMCTSA-N 1 0 367.497 3.544 20 30 FHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187786119 938779380 /nfs/dbraw/zinc/77/93/80/938779380.db2.gz QTZZJHQOVALAFS-JXFKEZNVSA-N 1 0 365.395 3.888 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000657851081 938782210 /nfs/dbraw/zinc/78/22/10/938782210.db2.gz LKXFYWFLOVYKLP-HMXCVIKNSA-N 1 0 356.510 3.820 20 30 FHEDRO O=C(Nc1nnc2n1CCCC2)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000329814395 938881733 /nfs/dbraw/zinc/88/17/33/938881733.db2.gz ULCASIFXQAVBGW-UTKZUKDTSA-N 1 0 365.481 3.505 20 30 FHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC(C)(C)CC#N ZINC000926570502 938927001 /nfs/dbraw/zinc/92/70/01/938927001.db2.gz ZESDSXAAWYZCJT-MRXNPFEDSA-N 1 0 362.518 3.835 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CCCC#N)c2ccccc2)[C@@H](C)C1 ZINC000458799558 938938809 /nfs/dbraw/zinc/93/88/09/938938809.db2.gz JQGFSMKNUJAKPW-SXLOBPIMSA-N 1 0 356.514 3.793 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000584457315 938940978 /nfs/dbraw/zinc/94/09/78/938940978.db2.gz HWGYJPFGSUZLLN-SFHVURJKSA-N 1 0 362.433 3.709 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000458802161 938949768 /nfs/dbraw/zinc/94/97/68/938949768.db2.gz PCQIKQFRXUXLJF-OAQYLSRUSA-N 1 0 368.525 3.939 20 30 FHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CC1 ZINC000164565389 938963762 /nfs/dbraw/zinc/96/37/62/938963762.db2.gz MYIGCDDFFKETHG-UHFFFAOYSA-N 1 0 368.456 3.587 20 30 FHEDRO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000544070051 938992015 /nfs/dbraw/zinc/99/20/15/938992015.db2.gz DEXFIDHCUKKJMQ-OAQYLSRUSA-N 1 0 362.477 3.929 20 30 FHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000188172275 939021430 /nfs/dbraw/zinc/02/14/30/939021430.db2.gz SQNLKNIJLKDMKF-AEFFLSMTSA-N 1 0 365.452 3.822 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000176978658 939022886 /nfs/dbraw/zinc/02/28/86/939022886.db2.gz RWQJREVCMFRQPW-ZDUSSCGKSA-N 1 0 363.433 3.980 20 30 FHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@](C)(C#N)C3)cc2)CC1 ZINC000612099476 939059053 /nfs/dbraw/zinc/05/90/53/939059053.db2.gz YNMSKXWEYNMLGE-JOCHJYFZSA-N 1 0 368.525 3.754 20 30 FHEDRO CCCc1c(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000440078896 945223869 /nfs/dbraw/zinc/22/38/69/945223869.db2.gz XTFJFQCVNXCCBJ-HZPDHXFCSA-N 1 0 365.481 3.508 20 30 FHEDRO C=CCOCCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000658209507 939070140 /nfs/dbraw/zinc/07/01/40/939070140.db2.gz GFNIXLZMGNTHNK-DLBZAZTESA-N 1 0 354.288 3.852 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1Cl ZINC000255675355 939082290 /nfs/dbraw/zinc/08/22/90/939082290.db2.gz GJQHUWZVDKDRSZ-YFHOEESVSA-N 1 0 369.852 3.804 20 30 FHEDRO N#Cc1cccc(CC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612132052 939116927 /nfs/dbraw/zinc/11/69/27/939116927.db2.gz QLDZZIYYEFOETM-RJGXRXQPSA-N 1 0 373.500 3.518 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000612192985 939219829 /nfs/dbraw/zinc/21/98/29/939219829.db2.gz MLRBKANXCVSAFU-UHFFFAOYSA-N 1 0 357.523 3.968 20 30 FHEDRO C=CCOc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1Cl ZINC000426571387 945238000 /nfs/dbraw/zinc/23/80/00/945238000.db2.gz UWQMIUBQQXRSLZ-INIZCTEOSA-N 1 0 364.917 3.590 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000383105257 945247312 /nfs/dbraw/zinc/24/73/12/945247312.db2.gz HDYHCHXZAVDISO-INIZCTEOSA-N 1 0 350.422 3.567 20 30 FHEDRO C[NH2+]CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414901668 945256320 /nfs/dbraw/zinc/25/63/20/945256320.db2.gz IZUZRUWSHVLFBF-KRWDZBQOSA-N 1 0 356.857 3.726 20 30 FHEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CCS[C@H]1C ZINC000926642604 939945607 /nfs/dbraw/zinc/94/56/07/939945607.db2.gz QCPJMKGFPYXMDS-PMPSAXMXSA-N 1 0 367.559 3.789 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000507505484 945285771 /nfs/dbraw/zinc/28/57/71/945285771.db2.gz BJZBFGLRYCKLFB-WMLDXEAASA-N 1 0 353.853 3.777 20 30 FHEDRO C=CCC[C@@H]([NH2+]C1CCN(c2cc(C(=O)OC)ccn2)CC1)c1ccco1 ZINC000375854899 939980515 /nfs/dbraw/zinc/98/05/15/939980515.db2.gz XAENGYGFCZWMNR-GOSISDBHSA-N 1 0 369.465 3.727 20 30 FHEDRO COc1ccc2cc(C[N@H+](C)Cc3cnc4ccc(C#N)cn34)ccc2c1 ZINC000506039636 945288162 /nfs/dbraw/zinc/28/81/62/945288162.db2.gz AGKPBOZLSSWWJY-UHFFFAOYSA-N 1 0 356.429 4.000 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000612372534 940029408 /nfs/dbraw/zinc/02/94/08/940029408.db2.gz RBPDNXHZGARCBW-FPOVZHCZSA-N 1 0 354.498 3.549 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1c[nH]c2ccccc12 ZINC000065931265 940079203 /nfs/dbraw/zinc/07/92/03/940079203.db2.gz JYCWYLVFDPYWNU-UHFFFAOYSA-N 1 0 374.488 3.563 20 30 FHEDRO Cn1cc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1C#N ZINC000480632808 940106788 /nfs/dbraw/zinc/10/67/88/940106788.db2.gz CLKYRUFPFDCWPV-UHFFFAOYSA-N 1 0 362.408 3.578 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(C#N)cc1 ZINC000548936307 940112295 /nfs/dbraw/zinc/11/22/95/940112295.db2.gz PSWCJRZSUDRPJF-GFCCVEGCSA-N 1 0 352.419 3.564 20 30 FHEDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000548936006 940119214 /nfs/dbraw/zinc/11/92/14/940119214.db2.gz GKZWAEYBCQJDST-DLBZAZTESA-N 1 0 361.489 3.965 20 30 FHEDRO C=CCOc1ccccc1C[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000236674397 940142145 /nfs/dbraw/zinc/14/21/45/940142145.db2.gz FBIKRDPTMNTMCP-UHFFFAOYSA-N 1 0 350.462 3.711 20 30 FHEDRO C=CCOc1c(Cl)cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000628280918 940157473 /nfs/dbraw/zinc/15/74/73/940157473.db2.gz PENGSSIMUJWFAQ-FUHWJXTLSA-N 1 0 364.917 3.830 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000179963769 940174683 /nfs/dbraw/zinc/17/46/83/940174683.db2.gz XLFBDNIXWCFZBZ-YJYMSZOUSA-N 1 0 355.388 3.683 20 30 FHEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1 ZINC000431672875 940237691 /nfs/dbraw/zinc/23/76/91/940237691.db2.gz JILQUHQZEYGPIL-MSOLQXFVSA-N 1 0 355.438 3.522 20 30 FHEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310641270 940257633 /nfs/dbraw/zinc/25/76/33/940257633.db2.gz CJBLJNDGMRSPJB-KSZLIROESA-N 1 0 352.519 3.737 20 30 FHEDRO C=CCOc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413904513 940259140 /nfs/dbraw/zinc/25/91/40/940259140.db2.gz UBLMLNFEDXVNOP-UHFFFAOYSA-N 1 0 358.413 3.583 20 30 FHEDRO COc1cc(Br)ccc1CCC[NH2+]Cc1nc(C#N)cs1 ZINC000584499141 940259691 /nfs/dbraw/zinc/25/96/91/940259691.db2.gz WRJPBCSWVVBBDQ-UHFFFAOYSA-N 1 0 366.284 3.508 20 30 FHEDRO COc1ccc([C@@H]2CC[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cc1 ZINC000180027189 940269784 /nfs/dbraw/zinc/26/97/84/940269784.db2.gz KPZIBKFNFIKHEO-HXUWFJFHSA-N 1 0 372.472 3.957 20 30 FHEDRO C=CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC)c1ccccc1 ZINC000413936136 940304296 /nfs/dbraw/zinc/30/42/96/940304296.db2.gz FUGCQMHGXHBKLA-IBGZPJMESA-N 1 0 368.477 3.934 20 30 FHEDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(C#N)cc1 ZINC000376111135 940324040 /nfs/dbraw/zinc/32/40/40/940324040.db2.gz FVUPVLBARWMANM-SQNIBIBYSA-N 1 0 352.438 3.780 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@]3(CCCCO3)C2)c(-c2ccccc2)n1 ZINC000376118940 940335253 /nfs/dbraw/zinc/33/52/53/940335253.db2.gz VGUBZBSZAUEXJB-JOCHJYFZSA-N 1 0 364.493 3.999 20 30 FHEDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)c1 ZINC000376163598 940396186 /nfs/dbraw/zinc/39/61/86/940396186.db2.gz BVAFIXZJPPUFQD-FSIJUFHLSA-N 1 0 369.509 3.544 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCc1nc(-c3ccc(F)cc3)no1)CC2 ZINC000580012248 940430635 /nfs/dbraw/zinc/43/06/35/940430635.db2.gz QSCJALKYLBNFSX-IBGZPJMESA-N 1 0 362.408 3.957 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000580502354 940477162 /nfs/dbraw/zinc/47/71/62/940477162.db2.gz QCUKHUBPYUJZSD-UHFFFAOYSA-N 1 0 374.444 3.694 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c(Br)c1 ZINC000613179321 940480133 /nfs/dbraw/zinc/48/01/33/940480133.db2.gz TZQKVLUZTBBPNJ-MRXNPFEDSA-N 1 0 356.267 3.780 20 30 FHEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000066436811 940486211 /nfs/dbraw/zinc/48/62/11/940486211.db2.gz LDCSITFXZSNVTN-UHFFFAOYSA-N 1 0 367.493 3.557 20 30 FHEDRO C[C@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581334498 940499447 /nfs/dbraw/zinc/49/94/47/940499447.db2.gz YTBPIZVINQEVFC-KBXCAEBGSA-N 1 0 368.868 3.996 20 30 FHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2c(C#N)cnc3ccccc32)CC1 ZINC000581306329 940500997 /nfs/dbraw/zinc/50/09/97/940500997.db2.gz CZONTSUZQPSRTE-INIZCTEOSA-N 1 0 357.461 3.561 20 30 FHEDRO COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000613303441 940509666 /nfs/dbraw/zinc/50/96/66/940509666.db2.gz QMQHQMWOLQHUKB-AEFFLSMTSA-N 1 0 370.497 3.685 20 30 FHEDRO C[C@H](CC1CCCCC1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000426605881 945329026 /nfs/dbraw/zinc/32/90/26/945329026.db2.gz QWKWYKYMTNFYIE-GOSISDBHSA-N 1 0 370.541 3.990 20 30 FHEDRO COCC[N@H+](C)CCCC1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613431412 940702308 /nfs/dbraw/zinc/70/23/08/940702308.db2.gz ZMHNXBKKCQQHKK-UHFFFAOYSA-N 1 0 372.557 3.826 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C(F)(F)F ZINC000892546501 940713024 /nfs/dbraw/zinc/71/30/24/940713024.db2.gz KCDKJNGJXWDRAC-XHSDSOJGSA-N 1 0 354.372 3.558 20 30 FHEDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000582599066 940749186 /nfs/dbraw/zinc/74/91/86/940749186.db2.gz UVZBBOWGKXVHBP-SFHVURJKSA-N 1 0 354.450 3.695 20 30 FHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@]2(CCOC2)O1 ZINC000330078456 945346768 /nfs/dbraw/zinc/34/67/68/945346768.db2.gz NRUKUHQHBHUVQJ-PXAZEXFGSA-N 1 0 373.280 3.851 20 30 FHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440258641 945348742 /nfs/dbraw/zinc/34/87/42/945348742.db2.gz ISCAZKWYYKEJCU-GOSISDBHSA-N 1 0 364.411 3.580 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000549038320 940795907 /nfs/dbraw/zinc/79/59/07/940795907.db2.gz UYGUQKXKSWAKQD-WMLDXEAASA-N 1 0 352.413 3.654 20 30 FHEDRO CC[C@@H]1C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330083914 945349234 /nfs/dbraw/zinc/34/92/34/945349234.db2.gz BQQSMDFUZLJGOI-UZKOGDIHSA-N 1 0 372.509 3.681 20 30 FHEDRO CC[C@@H]1C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330083913 945349410 /nfs/dbraw/zinc/34/94/10/945349410.db2.gz BQQSMDFUZLJGOI-SYYKKAFVSA-N 1 0 372.509 3.681 20 30 FHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(Br)cc(OC(F)(F)F)c1 ZINC001218208722 940837442 /nfs/dbraw/zinc/83/74/42/940837442.db2.gz OUJVPMQSKWQASH-LBPRGKRZSA-N 1 0 352.150 3.645 20 30 FHEDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1C#N ZINC000237147108 945353895 /nfs/dbraw/zinc/35/38/95/945353895.db2.gz YZWSATKZPDMDEN-SJLPKXTDSA-N 1 0 373.497 3.740 20 30 FHEDRO CCc1cccc2c1OCC[C@@H]2NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330099485 945356461 /nfs/dbraw/zinc/35/64/61/945356461.db2.gz DAXYLHJUSPZSPS-FQEVSTJZSA-N 1 0 371.525 3.983 20 30 FHEDRO C#C[C@H](CC)[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000229890829 940891761 /nfs/dbraw/zinc/89/17/61/940891761.db2.gz RMAZHIBRXYVERI-SNVBAGLBSA-N 1 0 361.077 3.722 20 30 FHEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C12CCC2 ZINC000180279979 940906327 /nfs/dbraw/zinc/90/63/27/940906327.db2.gz DEMILDLZVURIKO-VQTJNVASSA-N 1 0 364.493 3.738 20 30 FHEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C12CCC2 ZINC000180280034 940906336 /nfs/dbraw/zinc/90/63/36/940906336.db2.gz DEMILDLZVURIKO-UXHICEINSA-N 1 0 364.493 3.738 20 30 FHEDRO CCCc1c(NC(=O)[C@@H](CCC)[NH2+]C(C)C)cnn1-c1cccc(C#N)c1 ZINC000507602044 945363467 /nfs/dbraw/zinc/36/34/67/945363467.db2.gz ODMZUUPCUCWUHY-GOSISDBHSA-N 1 0 367.497 3.802 20 30 FHEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000330120763 945364572 /nfs/dbraw/zinc/36/45/72/945364572.db2.gz BFPOZFQWDQNCRQ-ZFWWWQNUSA-N 1 0 351.516 3.793 20 30 FHEDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180349671 940986257 /nfs/dbraw/zinc/98/62/57/940986257.db2.gz XNIDHIZQJPBFGB-QGZVFWFLSA-N 1 0 374.488 3.936 20 30 FHEDRO COc1ccc(C[C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180349655 940986421 /nfs/dbraw/zinc/98/64/21/940986421.db2.gz XNIDHIZQJPBFGB-KRWDZBQOSA-N 1 0 374.488 3.936 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659029376 941030047 /nfs/dbraw/zinc/03/00/47/941030047.db2.gz HNUDRDISTDQOIP-NRFANRHFSA-N 1 0 365.477 3.610 20 30 FHEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659029017 941030845 /nfs/dbraw/zinc/03/08/45/941030845.db2.gz FLXZBYUOFWDGJD-HXUWFJFHSA-N 1 0 369.440 3.707 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC000176453609 941045014 /nfs/dbraw/zinc/04/50/14/941045014.db2.gz LCBWQMFJQCLNIU-OAQYLSRUSA-N 1 0 367.468 3.865 20 30 FHEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000186696689 941045040 /nfs/dbraw/zinc/04/50/40/941045040.db2.gz CZVCOJRROMSVOA-PWSUYJOCSA-N 1 0 364.795 3.603 20 30 FHEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000177000621 941092614 /nfs/dbraw/zinc/09/26/14/941092614.db2.gz IXGGGKMQRAIIAS-GOSISDBHSA-N 1 0 368.912 3.889 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188819689 941096197 /nfs/dbraw/zinc/09/61/97/941096197.db2.gz FXXRLVOUCUGBTJ-UHFFFAOYSA-N 1 0 361.445 3.579 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccnc1 ZINC000181297149 941120377 /nfs/dbraw/zinc/12/03/77/941120377.db2.gz BWMAPJUIYCEIEZ-ZDUSSCGKSA-N 1 0 354.479 3.573 20 30 FHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000376568296 941156136 /nfs/dbraw/zinc/15/61/36/941156136.db2.gz DRRBDLTUZLEXIA-YLJYHZDGSA-N 1 0 364.493 3.644 20 30 FHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC12CCC2 ZINC000311303875 941227120 /nfs/dbraw/zinc/22/71/20/941227120.db2.gz KWBRFJQTXXVPEV-SFHVURJKSA-N 1 0 355.482 3.970 20 30 FHEDRO Oc1ccc2ccccc2c1/C=N\Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000588419692 941269880 /nfs/dbraw/zinc/26/98/80/941269880.db2.gz LWFQOYCZOMYXOO-DEYGKZMTSA-N 1 0 360.457 3.731 20 30 FHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cccc(C#N)c2C)c1 ZINC000178579181 941280471 /nfs/dbraw/zinc/28/04/71/941280471.db2.gz BIRNIFKOKZLYQG-UHFFFAOYSA-N 1 0 350.466 3.771 20 30 FHEDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000414562078 941374360 /nfs/dbraw/zinc/37/43/60/941374360.db2.gz BZWXVQQUGGBNQD-LAUBAEHRSA-N 1 0 350.462 3.730 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c(C(F)(F)F)c1 ZINC000414548553 941377266 /nfs/dbraw/zinc/37/72/66/941377266.db2.gz KINNOPNNWHZOSA-INIZCTEOSA-N 1 0 365.399 3.554 20 30 FHEDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(COc3ccccc3C#N)o2)n1 ZINC000414618777 941413262 /nfs/dbraw/zinc/41/32/62/941413262.db2.gz NFIZNXNOIJJVPY-OAHLLOKOSA-N 1 0 352.394 3.826 20 30 FHEDRO N#Cc1ccccc1OCc1cccc(-c2nc(C3([NH3+])CCCC3)no2)c1 ZINC000414623116 941416285 /nfs/dbraw/zinc/41/62/85/941416285.db2.gz CZJUKBRCEBLSJR-UHFFFAOYSA-N 1 0 360.417 3.915 20 30 FHEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414968635 941528086 /nfs/dbraw/zinc/52/80/86/941528086.db2.gz RYRFUMWOMQARTB-SJCJKPOMSA-N 1 0 370.840 3.957 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCC[NH2+]3)cc2Cl)cc1 ZINC000414972823 941530313 /nfs/dbraw/zinc/53/03/13/941530313.db2.gz YPUSBKSPFXYGJB-HNNXBMFYSA-N 1 0 370.840 3.877 20 30 FHEDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415015694 941542717 /nfs/dbraw/zinc/54/27/17/941542717.db2.gz YYALLNJMFBYDIM-HXUWFJFHSA-N 1 0 350.422 3.553 20 30 FHEDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000415022344 941545992 /nfs/dbraw/zinc/54/59/92/941545992.db2.gz LJQKFCUFSMXBJX-QGZVFWFLSA-N 1 0 364.449 3.732 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H]1C[NH3+] ZINC000415014370 941546513 /nfs/dbraw/zinc/54/65/13/941546513.db2.gz WWFXVVQWIANRFE-WBVHZDCISA-N 1 0 364.449 3.799 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@]1(C)C[NH3+] ZINC000415030138 941553755 /nfs/dbraw/zinc/55/37/55/941553755.db2.gz BYVKSGIARRFJFC-QVKFZJNVSA-N 1 0 364.449 3.799 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[NH2+]1 ZINC000415043011 941562341 /nfs/dbraw/zinc/56/23/41/941562341.db2.gz RBCPBEMFBYFARN-WMLDXEAASA-N 1 0 350.422 3.613 20 30 FHEDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415049860 941566531 /nfs/dbraw/zinc/56/65/31/941566531.db2.gz YGKGEQCURVMHOZ-LJQANCHMSA-N 1 0 364.449 3.860 20 30 FHEDRO COc1cc(C#N)ccc1CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549164483 941568947 /nfs/dbraw/zinc/56/89/47/941568947.db2.gz GQISCYRSOCKFOV-QFIPXVFZSA-N 1 0 363.505 3.957 20 30 FHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000415123127 941618593 /nfs/dbraw/zinc/61/85/93/941618593.db2.gz LCBCEFYHAMHDNP-UHFFFAOYSA-N 1 0 374.391 3.543 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C[NH3+])C1 ZINC000415145039 941631859 /nfs/dbraw/zinc/63/18/59/941631859.db2.gz DDGCLKRTZLLECT-CRAIPNDOSA-N 1 0 364.449 3.942 20 30 FHEDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415145521 941631905 /nfs/dbraw/zinc/63/19/05/941631905.db2.gz DPTQWGAXYJFEGV-QGZVFWFLSA-N 1 0 352.438 3.990 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1C[NH3+] ZINC000415147633 941633376 /nfs/dbraw/zinc/63/33/76/941633376.db2.gz HZINFHCHJFFKMT-WBVHZDCISA-N 1 0 364.449 3.799 20 30 FHEDRO CC1(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]CC1 ZINC000415148082 941634539 /nfs/dbraw/zinc/63/45/39/941634539.db2.gz JKYANUONLFDVGJ-UHFFFAOYSA-N 1 0 364.449 3.862 20 30 FHEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415151796 941635052 /nfs/dbraw/zinc/63/50/52/941635052.db2.gz TUFWHNMEUFNGRE-GOEBONIOSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415151799 941635118 /nfs/dbraw/zinc/63/51/18/941635118.db2.gz TUFWHNMEUFNGRE-ZBFHGGJFSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415156406 941637898 /nfs/dbraw/zinc/63/78/98/941637898.db2.gz GIPOIHLVMVJNAX-GOEBONIOSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415155668 941637963 /nfs/dbraw/zinc/63/79/63/941637963.db2.gz FPPDEMDIMMCQRZ-HNNXBMFYSA-N 1 0 358.511 3.688 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000415151689 941639755 /nfs/dbraw/zinc/63/97/55/941639755.db2.gz ATDDLNWUSMWLTE-GOEBONIOSA-N 1 0 354.479 3.902 20 30 FHEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460371478 941640996 /nfs/dbraw/zinc/64/09/96/941640996.db2.gz VFEFQHKJHCRQPJ-IRXDYDNUSA-N 1 0 371.504 3.503 20 30 FHEDRO CC1(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[NH2+]CC1 ZINC000415166674 941644693 /nfs/dbraw/zinc/64/46/93/941644693.db2.gz RXHOCCJXCOKHJA-UHFFFAOYSA-N 1 0 350.422 3.614 20 30 FHEDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415169534 941645864 /nfs/dbraw/zinc/64/58/64/941645864.db2.gz WDYKYOYPSJTRHF-HNNXBMFYSA-N 1 0 352.438 3.990 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415166594 941647580 /nfs/dbraw/zinc/64/75/80/941647580.db2.gz RPJPRIJFYWZBIG-YOEHRIQHSA-N 1 0 360.527 3.838 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)cc2)c1 ZINC000415172027 941648895 /nfs/dbraw/zinc/64/88/95/941648895.db2.gz YVANATHNOVQYAV-IAGOWNOFSA-N 1 0 364.449 3.990 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000472744614 941663769 /nfs/dbraw/zinc/66/37/69/941663769.db2.gz CJMULIQZIDJEPT-AUSIDOKSSA-N 1 0 367.489 3.978 20 30 FHEDRO Cc1sc(NC(=O)C[NH2+][C@H](Cc2ccccc2)C2CC2)c(C#N)c1C ZINC000181547727 941668197 /nfs/dbraw/zinc/66/81/97/941668197.db2.gz DEIIULPAUJXZFP-GOSISDBHSA-N 1 0 353.491 3.786 20 30 FHEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000472753112 941676684 /nfs/dbraw/zinc/67/66/84/941676684.db2.gz PRBXLMIMYVOSSD-JKSUJKDBSA-N 1 0 357.281 3.723 20 30 FHEDRO N#Cc1cccc(OCCC[NH+]2CCN(c3cncc4ccccc43)CC2)c1 ZINC000472750732 941677429 /nfs/dbraw/zinc/67/74/29/941677429.db2.gz NNRWIGJMTCBOBA-UHFFFAOYSA-N 1 0 372.472 3.698 20 30 FHEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415238439 941693340 /nfs/dbraw/zinc/69/33/40/941693340.db2.gz LNKYIYKAWPFXQE-GUYCJALGSA-N 1 0 368.412 3.609 20 30 FHEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)c(OC)c1 ZINC000729266756 941705331 /nfs/dbraw/zinc/70/53/31/941705331.db2.gz CKYDBGRQIHWLJG-HXUWFJFHSA-N 1 0 352.434 3.943 20 30 FHEDRO CCc1nc2cc(C[NH2+]Cc3cnc4ccc(C#N)cn34)ccc2n1C1CC1 ZINC000549247422 941742031 /nfs/dbraw/zinc/74/20/31/941742031.db2.gz PJZGPXZVPXLSNA-UHFFFAOYSA-N 1 0 370.460 3.743 20 30 FHEDRO C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549248663 941743691 /nfs/dbraw/zinc/74/36/91/941743691.db2.gz VBJOUSCOBHUCHM-KRWDZBQOSA-N 1 0 371.554 3.956 20 30 FHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549251809 941755580 /nfs/dbraw/zinc/75/55/80/941755580.db2.gz BUIMBNRNHYKSLL-GOSISDBHSA-N 1 0 373.570 3.675 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cc(Cl)ccc2F)CC1 ZINC000433608952 941794860 /nfs/dbraw/zinc/79/48/60/941794860.db2.gz QGXOEGGHURFURI-UHFFFAOYSA-N 1 0 353.869 3.661 20 30 FHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458839366 941795597 /nfs/dbraw/zinc/79/55/97/941795597.db2.gz MPJCKNZJYCMISX-HOJAQTOUSA-N 1 0 354.498 3.690 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(CC#N)CC2)cc1OC ZINC000430007484 941805025 /nfs/dbraw/zinc/80/50/25/941805025.db2.gz RSENYXGIWIRWDA-UHFFFAOYSA-N 1 0 365.271 3.806 20 30 FHEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000513311993 941840106 /nfs/dbraw/zinc/84/01/06/941840106.db2.gz YKGAOHMQUANSDL-UHFFFAOYSA-N 1 0 369.896 3.928 20 30 FHEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415531236 941882449 /nfs/dbraw/zinc/88/24/49/941882449.db2.gz DONCVHQQYZREPE-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415536210 941889183 /nfs/dbraw/zinc/88/91/83/941889183.db2.gz NDMHMHMOOQIHRG-CABCVRRESA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1cc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)ccc1Oc1ccccc1 ZINC000415536103 941889447 /nfs/dbraw/zinc/88/94/47/941889447.db2.gz MPELELXZYNTFPW-HOCLYGCPSA-N 1 0 350.422 3.599 20 30 FHEDRO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000513401280 941896435 /nfs/dbraw/zinc/89/64/35/941896435.db2.gz KXAFTOLKNAGEAA-SFHVURJKSA-N 1 0 352.434 3.619 20 30 FHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc21 ZINC000513412235 941909723 /nfs/dbraw/zinc/90/97/23/941909723.db2.gz WYFHKDILUHVJNL-UHFFFAOYSA-N 1 0 366.852 3.980 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000182507753 941936653 /nfs/dbraw/zinc/93/66/53/941936653.db2.gz GUIVHHZWICTBEX-LBPRGKRZSA-N 1 0 363.339 3.746 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1nccc2ccccc21 ZINC000377746979 941956840 /nfs/dbraw/zinc/95/68/40/941956840.db2.gz DTLMWQQUCKEVPH-MRXNPFEDSA-N 1 0 357.461 3.821 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(CNCc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000728711411 941964741 /nfs/dbraw/zinc/96/47/41/941964741.db2.gz CILDQLXZPXRDQX-KRWDZBQOSA-N 1 0 372.472 3.942 20 30 FHEDRO Cc1cccnc1[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000182877107 941977566 /nfs/dbraw/zinc/97/75/66/941977566.db2.gz YQRKWXKNMNVPFN-PMACEKPBSA-N 1 0 362.477 3.744 20 30 FHEDRO CCOc1c(Br)cc(C[NH2+]CC2(CC#N)CC2)cc1OC ZINC000430019566 941988938 /nfs/dbraw/zinc/98/89/38/941988938.db2.gz HIIVPBGUKMPJJF-UHFFFAOYSA-N 1 0 353.260 3.640 20 30 FHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000513525948 941997078 /nfs/dbraw/zinc/99/70/78/941997078.db2.gz RDQAVTOHDIXCOO-UHFFFAOYSA-N 1 0 359.518 3.845 20 30 FHEDRO COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)nc32)cc1OCCCC#N ZINC000377830231 942023115 /nfs/dbraw/zinc/02/31/15/942023115.db2.gz BXUOHMANJWVVKO-GOSISDBHSA-N 1 0 368.481 3.550 20 30 FHEDRO C=CCC[N@@H+](C)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000467290155 942048375 /nfs/dbraw/zinc/04/83/75/942048375.db2.gz PNPNGOKUIZILHR-HXUWFJFHSA-N 1 0 361.432 3.940 20 30 FHEDRO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000415802062 942059083 /nfs/dbraw/zinc/05/90/83/942059083.db2.gz HKIZCQALFOTBAN-LBPRGKRZSA-N 1 0 370.291 3.653 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000513659007 942060161 /nfs/dbraw/zinc/06/01/61/942060161.db2.gz AJGGZAXLHQKGOU-IBGZPJMESA-N 1 0 358.526 3.960 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CCC[NH2+]CC2)cc1 ZINC000415810969 942063509 /nfs/dbraw/zinc/06/35/09/942063509.db2.gz WSRPAJZROREKPR-UHFFFAOYSA-N 1 0 352.463 3.537 20 30 FHEDRO C=CCC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1ccco1 ZINC000513672533 942066712 /nfs/dbraw/zinc/06/67/12/942066712.db2.gz LINANBRDOCDPQN-INIZCTEOSA-N 1 0 368.886 3.508 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501837570 942085741 /nfs/dbraw/zinc/08/57/41/942085741.db2.gz RKNPNJYHFMSKJZ-QGZVFWFLSA-N 1 0 351.494 3.936 20 30 FHEDRO N#Cc1ccc(CSCC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000501867053 942089138 /nfs/dbraw/zinc/08/91/38/942089138.db2.gz MUTJXSNZHMHTFK-UHFFFAOYSA-N 1 0 371.550 3.516 20 30 FHEDRO COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000178578655 942089197 /nfs/dbraw/zinc/08/91/97/942089197.db2.gz UHSDVPNIGYZCEI-FPOVZHCZSA-N 1 0 367.493 3.576 20 30 FHEDRO Cc1cc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc(C)c1O ZINC000178574235 942089212 /nfs/dbraw/zinc/08/92/12/942089212.db2.gz DZVUFZSCRZMJQB-UHFFFAOYSA-N 1 0 353.344 3.834 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280035670 942091868 /nfs/dbraw/zinc/09/18/68/942091868.db2.gz WGXZRAXUQZKSPB-UHFFFAOYSA-N 1 0 374.488 3.563 20 30 FHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C)c1C#N ZINC000501897886 942112692 /nfs/dbraw/zinc/11/26/92/942112692.db2.gz FYTDVMZITDOJRQ-IFXJQAMLSA-N 1 0 350.466 3.683 20 30 FHEDRO CC[NH2+]Cc1ccccc1NC(=O)NCCSCc1ccccc1C#N ZINC000415942540 942175632 /nfs/dbraw/zinc/17/56/32/942175632.db2.gz JIRKAYCXTJMEFA-UHFFFAOYSA-N 1 0 368.506 3.723 20 30 FHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000502072435 942203391 /nfs/dbraw/zinc/20/33/91/942203391.db2.gz ABHHDKNNRAXZCI-INIZCTEOSA-N 1 0 354.479 3.885 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)ccc1OC ZINC000182092106 942204488 /nfs/dbraw/zinc/20/44/88/942204488.db2.gz UZMLMBUUSFAVBQ-SFHVURJKSA-N 1 0 369.509 3.838 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420891687 942252947 /nfs/dbraw/zinc/25/29/47/942252947.db2.gz BPOSNVCFXQLDTM-UHFFFAOYSA-N 1 0 356.514 3.599 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](CC(F)(F)F)C3)C2=O)cc1 ZINC000420954402 942273794 /nfs/dbraw/zinc/27/37/94/942273794.db2.gz UUSCMKUFBNLYHZ-WBVHZDCISA-N 1 0 365.399 3.718 20 30 FHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000501035476 942278583 /nfs/dbraw/zinc/27/85/83/942278583.db2.gz AJYWRJSRJZWGHQ-QZTJIDSGSA-N 1 0 360.299 3.740 20 30 FHEDRO Cc1nnc([C@H]2CC23CC[NH+](Cc2ccccc2C(C)(C)C#N)CC3)o1 ZINC000378166707 942344305 /nfs/dbraw/zinc/34/43/05/942344305.db2.gz BVEAMQRMCJKVNP-GOSISDBHSA-N 1 0 350.466 3.949 20 30 FHEDRO C[NH+]=C(NCc1csc2ccccc12)NC[C@@](C)(O)c1cccs1 ZINC000261811443 942376872 /nfs/dbraw/zinc/37/68/72/942376872.db2.gz SRXBWEBQNCRWDL-GOSISDBHSA-N 1 0 359.520 3.536 20 30 FHEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)OCC1CC1 ZINC000414505715 942422689 /nfs/dbraw/zinc/42/26/89/942422689.db2.gz AEUPSVZBXUKFTC-UHFFFAOYSA-N 1 0 352.482 3.759 20 30 FHEDRO COCCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000513746009 942473571 /nfs/dbraw/zinc/47/35/71/942473571.db2.gz LVTXENBBNFOCAF-UHFFFAOYSA-N 1 0 366.461 3.627 20 30 FHEDRO COc1ccc([C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)N2CCCC2)cc1 ZINC000421322354 942482145 /nfs/dbraw/zinc/48/21/45/942482145.db2.gz DLLYJGHQJLMFMC-NRFANRHFSA-N 1 0 353.441 3.633 20 30 FHEDRO CC[C@H](CNC(=O)c1cc(C#N)ccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000505349684 942486718 /nfs/dbraw/zinc/48/67/18/942486718.db2.gz LWPXHARHLJUGLV-GOSISDBHSA-N 1 0 367.880 3.778 20 30 FHEDRO CC(C)n1ccc(C[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)n1 ZINC000541214703 942494671 /nfs/dbraw/zinc/49/46/71/942494671.db2.gz GPIKEWNWZYIWDM-PPDQVPDSSA-N 1 0 367.497 3.641 20 30 FHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000421344408 942497833 /nfs/dbraw/zinc/49/78/33/942497833.db2.gz SYSBSZNWNMYCGA-SFTDATJTSA-N 1 0 363.440 3.755 20 30 FHEDRO C[C@H](NC(=O)CN1CC=C(c2ccc(C#N)cc2)CC1)c1cccs1 ZINC000502527244 942500802 /nfs/dbraw/zinc/50/08/02/942500802.db2.gz FUQGDEIAZGVPMN-HNNXBMFYSA-N 1 0 351.475 3.586 20 30 FHEDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(C#N)s1 ZINC000421350181 942502812 /nfs/dbraw/zinc/50/28/12/942502812.db2.gz KTVVAMKOHQLKBO-CYBMUJFWSA-N 1 0 361.898 3.800 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000502552223 942519224 /nfs/dbraw/zinc/51/92/24/942519224.db2.gz BFVMEIAXRVVGPQ-RBBKRZOGSA-N 1 0 367.489 3.698 20 30 FHEDRO CC[C@@H]1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](CC)O1 ZINC000421382802 942536333 /nfs/dbraw/zinc/53/63/33/942536333.db2.gz CHQODFGDITZEOW-WOJBJXKFSA-N 1 0 352.482 3.853 20 30 FHEDRO CCCn1nccc1C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000501546347 942541589 /nfs/dbraw/zinc/54/15/89/942541589.db2.gz OIKFSYFXQRMGCS-UHFFFAOYSA-N 1 0 352.482 3.813 20 30 FHEDRO CC1(C(=O)NCC#Cc2cccc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000513941402 942620766 /nfs/dbraw/zinc/62/07/66/942620766.db2.gz BPCPAJFQMYSWMT-UHFFFAOYSA-N 1 0 364.464 3.596 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000416298633 942623959 /nfs/dbraw/zinc/62/39/59/942623959.db2.gz DEJMPFDHVDHAHP-UHFFFAOYSA-N 1 0 369.852 3.828 20 30 FHEDRO CC(C)[N@H+](CCc1nccs1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000513979596 942659017 /nfs/dbraw/zinc/65/90/17/942659017.db2.gz GQSORONSKQUDBH-UHFFFAOYSA-N 1 0 353.451 3.518 20 30 FHEDRO C=CCCO[C@@H](C)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000501763824 942666227 /nfs/dbraw/zinc/66/62/27/942666227.db2.gz TXMLGPGXMJPNQE-FXAWDEMLSA-N 1 0 358.526 3.557 20 30 FHEDRO C=CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1)c1ccccc1 ZINC000416331198 942670914 /nfs/dbraw/zinc/67/09/14/942670914.db2.gz AWYRLMHJSAQVPI-IBGZPJMESA-N 1 0 368.477 3.934 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000414538181 942700572 /nfs/dbraw/zinc/70/05/72/942700572.db2.gz QIOBIKFBIOEDPY-QGZVFWFLSA-N 1 0 355.507 3.935 20 30 FHEDRO CC[NH+](CC)[C@@H](C(=O)NCC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000416346242 942701288 /nfs/dbraw/zinc/70/12/88/942701288.db2.gz KGZVVXFEFNPVOC-MRXNPFEDSA-N 1 0 367.415 3.898 20 30 FHEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000545960909 942707926 /nfs/dbraw/zinc/70/79/26/942707926.db2.gz USHBLNXZISYPKN-YPMHNXCESA-N 1 0 357.294 3.585 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cc2ccccc2[nH]1)C(C)C ZINC000514074132 942719983 /nfs/dbraw/zinc/71/99/83/942719983.db2.gz IYMWAUHFVPTLNW-FQEVSTJZSA-N 1 0 354.498 3.666 20 30 FHEDRO CCCCCCCCC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363814811 942725840 /nfs/dbraw/zinc/72/58/40/942725840.db2.gz DOINXCHREXEUPL-UHFFFAOYSA-N 1 0 351.579 3.613 20 30 FHEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000421701475 942757414 /nfs/dbraw/zinc/75/74/14/942757414.db2.gz HTLIUHMPHXUOBX-QGZVFWFLSA-N 1 0 365.502 3.876 20 30 FHEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000421702654 942758433 /nfs/dbraw/zinc/75/84/33/942758433.db2.gz KKQDPQHHOCDDGV-IBGZPJMESA-N 1 0 363.461 3.711 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]CCCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000181586242 942775540 /nfs/dbraw/zinc/77/55/40/942775540.db2.gz UNZMQCWQGUEZQB-UHFFFAOYSA-N 1 0 373.504 3.621 20 30 FHEDRO C[N@@H+]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000181588786 942776496 /nfs/dbraw/zinc/77/64/96/942776496.db2.gz FCHAVVQVJAEULJ-UHFFFAOYSA-N 1 0 350.422 3.520 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000378464333 942801759 /nfs/dbraw/zinc/80/17/59/942801759.db2.gz CERNCITTZKXFKH-QFIPXVFZSA-N 1 0 366.461 3.703 20 30 FHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cnccc2C#N)c1 ZINC000514188220 942815513 /nfs/dbraw/zinc/81/55/13/942815513.db2.gz BWOQDVSNYVBOJV-UHFFFAOYSA-N 1 0 350.466 3.505 20 30 FHEDRO CCCCCCCCCCC(=O)N1CC2(CCN2CCn2ccnc2)C1 ZINC001269832200 942840462 /nfs/dbraw/zinc/84/04/62/942840462.db2.gz JEAFPOVOANGGRA-UHFFFAOYSA-N 1 0 360.546 3.701 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000190191274 942849803 /nfs/dbraw/zinc/84/98/03/942849803.db2.gz AFLVSRLIPIIOQV-HNNXBMFYSA-N 1 0 353.388 3.797 20 30 FHEDRO CC(C)N(CC[NH+](C)C)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000151983579 942862475 /nfs/dbraw/zinc/86/24/75/942862475.db2.gz ZHHLOHCMPSJZAR-UHFFFAOYSA-N 1 0 365.477 3.549 20 30 FHEDRO CCC[NH+](CCC)CCCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000502952821 942866210 /nfs/dbraw/zinc/86/62/10/942866210.db2.gz OGGINMZOTQPIDX-UHFFFAOYSA-N 1 0 371.525 3.830 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000434725860 942897019 /nfs/dbraw/zinc/89/70/19/942897019.db2.gz JRSNKWARTJYVIU-MRXNPFEDSA-N 1 0 351.450 3.979 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000046751866 942916026 /nfs/dbraw/zinc/91/60/26/942916026.db2.gz MZLMNJUTOXDNBW-IBGZPJMESA-N 1 0 370.541 3.992 20 30 FHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCC#N)c2ccc(Cl)cc2)c1 ZINC000273311818 942929494 /nfs/dbraw/zinc/92/94/94/942929494.db2.gz XAFLEECYIQBWTK-SFHVURJKSA-N 1 0 362.882 3.726 20 30 FHEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)C1 ZINC000503035313 942930195 /nfs/dbraw/zinc/93/01/95/942930195.db2.gz RZVGJLDNJBUVCR-ONGXEEELSA-N 1 0 360.626 3.726 20 30 FHEDRO CCOc1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000236945716 942946116 /nfs/dbraw/zinc/94/61/16/942946116.db2.gz WZSHJCPQGBZKER-GOSISDBHSA-N 1 0 353.441 3.855 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(OC)c(C(C)C)c(OC)c2)CC1 ZINC000511574297 943019299 /nfs/dbraw/zinc/01/92/99/943019299.db2.gz SNJAOZFQHMEKJQ-UHFFFAOYSA-N 1 0 360.498 3.598 20 30 FHEDRO COCC[N@H+](C)CC[C@@H](Nc1ncc2c(c1C#N)CCC2)c1ccccc1 ZINC000425230469 943021431 /nfs/dbraw/zinc/02/14/31/943021431.db2.gz SSZFZVQFUDZTOI-OAQYLSRUSA-N 1 0 364.493 3.563 20 30 FHEDRO N#CC1(CCC[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CCOCC1 ZINC000282106784 943046315 /nfs/dbraw/zinc/04/63/15/943046315.db2.gz WPBIZSHLYUXLQB-FQEVSTJZSA-N 1 0 368.477 3.916 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C1CCCCC1 ZINC000505571255 943050487 /nfs/dbraw/zinc/05/04/87/943050487.db2.gz XCBYPDTWBPOWBG-LJQANCHMSA-N 1 0 359.489 3.602 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422248080 943068928 /nfs/dbraw/zinc/06/89/28/943068928.db2.gz ZCRDXQJTEAERLR-UHFFFAOYSA-N 1 0 355.935 3.972 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000434995981 943092964 /nfs/dbraw/zinc/09/29/64/943092964.db2.gz RAFZAVDBNJPEQX-QGZVFWFLSA-N 1 0 353.510 3.607 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435035452 943102517 /nfs/dbraw/zinc/10/25/17/943102517.db2.gz PZZFHTQAXUCKPG-UHFFFAOYSA-N 1 0 373.500 3.679 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccsc1 ZINC000435051017 943122808 /nfs/dbraw/zinc/12/28/08/943122808.db2.gz XSFZUPTWWYEPOR-LJQANCHMSA-N 1 0 367.518 3.851 20 30 FHEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000435060430 943132223 /nfs/dbraw/zinc/13/22/23/943132223.db2.gz ZEZPZIVHHYIRDL-WDYCEAGBSA-N 1 0 365.502 3.912 20 30 FHEDRO CC1(C#N)CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000272649748 943193773 /nfs/dbraw/zinc/19/37/73/943193773.db2.gz JZTUUNURRUENQN-SFHVURJKSA-N 1 0 374.916 3.812 20 30 FHEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000272896430 943240621 /nfs/dbraw/zinc/24/06/21/943240621.db2.gz FPPPKXJOOSKXCZ-HNNXBMFYSA-N 1 0 364.371 3.641 20 30 FHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000514723812 943248244 /nfs/dbraw/zinc/24/82/44/943248244.db2.gz SCQIJEMWVDUEHJ-UHFFFAOYSA-N 1 0 361.555 3.602 20 30 FHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C2)C1 ZINC000505652901 943300916 /nfs/dbraw/zinc/30/09/16/943300916.db2.gz BRTGAJGRGQZWQE-JOCHJYFZSA-N 1 0 364.493 3.503 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000505664483 943327545 /nfs/dbraw/zinc/32/75/45/943327545.db2.gz PSUDHHBXCNKEKX-KRWDZBQOSA-N 1 0 372.513 3.979 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000283415183 943332763 /nfs/dbraw/zinc/33/27/63/943332763.db2.gz REPMEBQAKXFZBR-ZFQANFLFSA-N 1 0 368.521 3.548 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000505667544 943340866 /nfs/dbraw/zinc/34/08/66/943340866.db2.gz ZHPUQSRFZKCOLW-LJQANCHMSA-N 1 0 366.465 3.770 20 30 FHEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000417121060 943356436 /nfs/dbraw/zinc/35/64/36/943356436.db2.gz ZRFAFPVNGKHVBS-MGPUTAFESA-N 1 0 350.466 3.742 20 30 FHEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000417121062 943356899 /nfs/dbraw/zinc/35/68/99/943356899.db2.gz ZRFAFPVNGKHVBS-YWZLYKJASA-N 1 0 350.466 3.742 20 30 FHEDRO C[NH+](C)CC1(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCCC1 ZINC000431923755 943364665 /nfs/dbraw/zinc/36/46/65/943364665.db2.gz NPZUUYBGKPEHGX-IBGZPJMESA-N 1 0 356.514 3.843 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000435382868 943371705 /nfs/dbraw/zinc/37/17/05/943371705.db2.gz CQRRUXNGSVEKEU-KRWDZBQOSA-N 1 0 357.479 3.724 20 30 FHEDRO N#CCCC[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000431924506 943375460 /nfs/dbraw/zinc/37/54/60/943375460.db2.gz OCEDXCYIKMLBJA-HXUWFJFHSA-N 1 0 354.498 3.595 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@@H]2CCC2(C)C)c1C#N ZINC000566428152 943381901 /nfs/dbraw/zinc/38/19/01/943381901.db2.gz CMOQZKFOXUNRGE-GOSISDBHSA-N 1 0 368.481 3.725 20 30 FHEDRO O=C(CCS)N[C@@]12CC[C@@]([NH2+]CCc3c[nH]c4ccccc34)(C1)CCC2 ZINC001269955706 943387132 /nfs/dbraw/zinc/38/71/32/943387132.db2.gz PPSIRWMOGCMITL-RTWAWAEBSA-N 1 0 371.550 3.582 20 30 FHEDRO N#Cc1ccc(C2=CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000503876236 943393711 /nfs/dbraw/zinc/39/37/11/943393711.db2.gz RZNQWAAFXOBNEN-NRFANRHFSA-N 1 0 363.505 3.829 20 30 FHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccccc1 ZINC000186973303 943401881 /nfs/dbraw/zinc/40/18/81/943401881.db2.gz CFDZUUCQLFFJHU-UHFFFAOYSA-O 1 0 363.453 3.969 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000613733007 943413172 /nfs/dbraw/zinc/41/31/72/943413172.db2.gz JQDMQYXEQXNYJR-MJGOQNOKSA-N 1 0 351.494 3.936 20 30 FHEDRO N#Cc1ccc(C[N@@H+](CCCN2CCCC2=O)Cc2cccc(F)c2)cc1 ZINC000053234458 943422536 /nfs/dbraw/zinc/42/25/36/943422536.db2.gz XTUWXNMNJPPACF-UHFFFAOYSA-N 1 0 365.452 3.712 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000503989231 943444437 /nfs/dbraw/zinc/44/44/37/943444437.db2.gz IBKNNQGRZLQUAL-FCHUYYIVSA-N 1 0 359.473 3.835 20 30 FHEDRO N#Cc1ccc(C2=CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000503974007 943447020 /nfs/dbraw/zinc/44/70/20/943447020.db2.gz TVEVJVQXWKWTGL-HSZRJFAPSA-N 1 0 371.484 3.839 20 30 FHEDRO C=C(C)COc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])ccc1OC ZINC000515009239 943455331 /nfs/dbraw/zinc/45/53/31/943455331.db2.gz SVKUIWIURYDSJS-UHFFFAOYSA-N 1 0 371.437 3.524 20 30 FHEDRO C#CCOc1ccc(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000236693403 943463990 /nfs/dbraw/zinc/46/39/90/943463990.db2.gz HNQVXLYESVGNJN-LJQANCHMSA-N 1 0 354.519 3.762 20 30 FHEDRO CC(C)[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000504012364 943466800 /nfs/dbraw/zinc/46/68/00/943466800.db2.gz CRPMLINPKKDULN-NRFANRHFSA-N 1 0 351.494 3.684 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCc4cc(N)ccc43)CC2)cc1 ZINC000423351105 943486882 /nfs/dbraw/zinc/48/68/82/943486882.db2.gz HNBWKFSOAHBOJV-HSZRJFAPSA-N 1 0 360.505 3.772 20 30 FHEDRO CSc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1Cl ZINC000417299794 943495267 /nfs/dbraw/zinc/49/52/67/943495267.db2.gz WYOZVQONMVZAOB-UHFFFAOYSA-N 1 0 354.907 3.761 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)CC2 ZINC000423381374 943496669 /nfs/dbraw/zinc/49/66/69/943496669.db2.gz ZNVFYIFHSQPZLM-ZLGUVYLKSA-N 1 0 353.416 3.559 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)cc1 ZINC000109077829 943501643 /nfs/dbraw/zinc/50/16/43/943501643.db2.gz WAMASVDLWPBHBJ-FXAWDEMLSA-N 1 0 360.461 3.608 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](CN)c3ccc4ccccc4c3)CC2)cc1 ZINC000423398969 943503019 /nfs/dbraw/zinc/50/30/19/943503019.db2.gz PGZYNELMBXVLKK-DEOSSOPVSA-N 1 0 370.500 3.970 20 30 FHEDRO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417369886 943552506 /nfs/dbraw/zinc/55/25/06/943552506.db2.gz RWTAEOCYUNZIIP-HJPURHCSSA-N 1 0 361.489 3.965 20 30 FHEDRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417385693 943561377 /nfs/dbraw/zinc/56/13/77/943561377.db2.gz MGULEJAQAAMAPJ-VGOFRKELSA-N 1 0 361.489 3.663 20 30 FHEDRO C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[N@@H+](C2CC2)C1 ZINC000515207272 943568826 /nfs/dbraw/zinc/56/88/26/943568826.db2.gz HJLYGQWIRNTNJY-KRWDZBQOSA-N 1 0 374.488 3.858 20 30 FHEDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417395725 943570657 /nfs/dbraw/zinc/57/06/57/943570657.db2.gz WOMBQCBNXBZSSH-BEFAXECRSA-N 1 0 363.461 3.951 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000515223376 943579632 /nfs/dbraw/zinc/57/96/32/943579632.db2.gz RGJZFAVRFGLURY-USCONSEESA-N 1 0 374.488 3.822 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000558098383 943721667 /nfs/dbraw/zinc/72/16/67/943721667.db2.gz KECJNYBNTFJLBR-SUMWQHHRSA-N 1 0 350.304 3.625 20 30 FHEDRO Cc1nc(NC(=O)[C@@H]([NH3+])CCCC#N)sc1Cc1cccc(Cl)c1 ZINC000424093145 943728467 /nfs/dbraw/zinc/72/84/67/943728467.db2.gz QPFLLOQMFQNBPD-AWEZNQCLSA-N 1 0 362.886 3.655 20 30 FHEDRO CC(C)(C)c1cc(NC(=O)[C@@H]([NH3+])CCCC#N)n(-c2cccc(Cl)c2)n1 ZINC000424092955 943728509 /nfs/dbraw/zinc/72/85/09/943728509.db2.gz IIIQGJJSNMXUPN-HNNXBMFYSA-N 1 0 373.888 3.783 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000424111998 943737092 /nfs/dbraw/zinc/73/70/92/943737092.db2.gz HWIYDYSRUPZKFX-HOTGVXAUSA-N 1 0 353.388 3.780 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000424113226 943737773 /nfs/dbraw/zinc/73/77/73/943737773.db2.gz MNJPUPHLXSBBSN-RTBURBONSA-N 1 0 361.917 3.969 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000424114829 943738857 /nfs/dbraw/zinc/73/88/57/943738857.db2.gz SGMQAVZORSDCOK-KRWDZBQOSA-N 1 0 359.376 3.503 20 30 FHEDRO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424115716 943739793 /nfs/dbraw/zinc/73/97/93/943739793.db2.gz VLZVKKOWLFTHRI-SFHVURJKSA-N 1 0 355.413 3.673 20 30 FHEDRO COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424117033 943740481 /nfs/dbraw/zinc/74/04/81/943740481.db2.gz CFGQZQLJZWXYAD-DNVCBOLYSA-N 1 0 351.450 3.561 20 30 FHEDRO COCCc1ccc(Oc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424140325 943749023 /nfs/dbraw/zinc/74/90/23/943749023.db2.gz OAVUCGZPXBWDGT-HXUWFJFHSA-N 1 0 367.449 3.627 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000424148225 943751410 /nfs/dbraw/zinc/75/14/10/943751410.db2.gz ZMUYDLSBRJVZGY-SESVDKBCSA-N 1 0 350.462 3.856 20 30 FHEDRO COc1ccc([C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2Cl)cc1 ZINC000424130587 943756944 /nfs/dbraw/zinc/75/69/44/943756944.db2.gz UAJURJRPNFXLRN-RBUKOAKNSA-N 1 0 371.868 3.575 20 30 FHEDRO COc1cccc([C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2Cl)c1 ZINC000424131381 943757713 /nfs/dbraw/zinc/75/77/13/943757713.db2.gz UYIHLCKMHBAGIH-RBUKOAKNSA-N 1 0 371.868 3.575 20 30 FHEDRO COc1ccc2c(c1)CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C1CCCCC1)C2 ZINC000424134476 943759370 /nfs/dbraw/zinc/75/93/70/943759370.db2.gz KOISNXAFNCPDQS-RTWAWAEBSA-N 1 0 369.509 3.550 20 30 FHEDRO CC(C)N1CC[C@H](Nc2cc(C#N)ncn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000515298308 943782802 /nfs/dbraw/zinc/78/28/02/943782802.db2.gz JAEQHOZOUSUSRU-WMZOPIPTSA-N 1 0 359.836 3.777 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 ZINC000515318781 943798496 /nfs/dbraw/zinc/79/84/96/943798496.db2.gz MDPAIFRCLCFXDY-INIZCTEOSA-N 1 0 374.257 3.828 20 30 FHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000424255729 943807346 /nfs/dbraw/zinc/80/73/46/943807346.db2.gz UVPBXIDDXSTKFI-ULQDDVLXSA-N 1 0 363.575 3.589 20 30 FHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000424255324 943808425 /nfs/dbraw/zinc/80/84/25/943808425.db2.gz UMKGSCFVVMAAJL-QGZVFWFLSA-N 1 0 363.575 3.733 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1I ZINC000424293085 943823367 /nfs/dbraw/zinc/82/33/67/943823367.db2.gz HZBRBOKXXPYJGA-XUJVJEKNSA-N 1 0 357.235 3.533 20 30 FHEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(I)c2)C1 ZINC000424295685 943824068 /nfs/dbraw/zinc/82/40/68/943824068.db2.gz QBPTWPDDFJTCLA-RNCFNFMXSA-N 1 0 360.626 3.726 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000424296360 943825333 /nfs/dbraw/zinc/82/53/33/943825333.db2.gz OFEMMJOYMZUJMW-KNBMTAEXSA-N 1 0 363.523 3.645 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000516958047 943864680 /nfs/dbraw/zinc/86/46/80/943864680.db2.gz VLQJBKINSOTLEM-OAQYLSRUSA-N 1 0 362.433 3.568 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000516958046 943864953 /nfs/dbraw/zinc/86/49/53/943864953.db2.gz VLQJBKINSOTLEM-NRFANRHFSA-N 1 0 362.433 3.568 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000506061534 943872018 /nfs/dbraw/zinc/87/20/18/943872018.db2.gz NSLBDIKBFIHMDP-RTWAWAEBSA-N 1 0 367.489 3.653 20 30 FHEDRO CC[N@H+](CCOc1ccc(Br)cc1)Cc1ccc(C#N)cn1 ZINC000516977937 943876964 /nfs/dbraw/zinc/87/69/64/943876964.db2.gz ITVYEPSEPRDAMW-UHFFFAOYSA-N 1 0 360.255 3.617 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000425428470 943902573 /nfs/dbraw/zinc/90/25/73/943902573.db2.gz VWPPCKUQHOQEJN-IDPBPBMLSA-N 1 0 368.525 3.656 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000424464914 943932982 /nfs/dbraw/zinc/93/29/82/943932982.db2.gz QZPVGUJPKGHZQS-IPHXSNPTSA-N 1 0 362.477 3.855 20 30 FHEDRO CCOC(=O)Cn1nc(C)c(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1C ZINC000437579586 943934642 /nfs/dbraw/zinc/93/46/42/943934642.db2.gz OEOBSTVQPWWSEB-MRXNPFEDSA-N 1 0 368.481 3.518 20 30 FHEDRO CCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1 ZINC001270237509 943944241 /nfs/dbraw/zinc/94/42/41/943944241.db2.gz DDMTZMNHYUDYRB-BGYRXZFFSA-N 1 0 360.546 3.699 20 30 FHEDRO C=CCC[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000417908467 943946287 /nfs/dbraw/zinc/94/62/87/943946287.db2.gz BNGAYLLGAFAHNS-JKSUJKDBSA-N 1 0 355.404 3.764 20 30 FHEDRO C=CCC[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccco1 ZINC000517046375 943949970 /nfs/dbraw/zinc/94/99/70/943949970.db2.gz GJFDBUHWNSVDDZ-SFHVURJKSA-N 1 0 360.479 3.617 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000505005234 943960420 /nfs/dbraw/zinc/96/04/20/943960420.db2.gz JMAJRXJNXZHRDC-KRWDZBQOSA-N 1 0 357.498 3.522 20 30 FHEDRO C=CCCc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000505010137 943967334 /nfs/dbraw/zinc/96/73/34/943967334.db2.gz BWJHHUODRPFFHG-RTWAWAEBSA-N 1 0 371.525 3.695 20 30 FHEDRO C=CCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C1CC1 ZINC000436045360 943968081 /nfs/dbraw/zinc/96/80/81/943968081.db2.gz ZEGFTMOCTHIATO-UHFFFAOYSA-N 1 0 351.494 3.585 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417933754 943973865 /nfs/dbraw/zinc/97/38/65/943973865.db2.gz OTVHWOITGFXLAY-BBRMVZONSA-N 1 0 355.404 3.703 20 30 FHEDRO C=CCC1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCOCC1 ZINC000424572817 943988202 /nfs/dbraw/zinc/98/82/02/943988202.db2.gz XRKZTGSRVTYHLE-UHFFFAOYSA-N 1 0 356.510 3.662 20 30 FHEDRO C=CCC1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCOCC1 ZINC000424571468 943988439 /nfs/dbraw/zinc/98/84/39/943988439.db2.gz WTINDRRKUPGYEG-UHFFFAOYSA-N 1 0 356.510 3.662 20 30 FHEDRO C=CCCc1ccccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000505038368 943994772 /nfs/dbraw/zinc/99/47/72/943994772.db2.gz IYFAREIYRFHJQS-UHFFFAOYSA-N 1 0 364.493 3.986 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000505057047 943999310 /nfs/dbraw/zinc/99/93/10/943999310.db2.gz GIOCRMGBQCWOBV-IBGZPJMESA-N 1 0 359.514 3.770 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000425457141 944013726 /nfs/dbraw/zinc/01/37/26/944013726.db2.gz XYQJJNNQBCEESJ-YWZLYKJASA-N 1 0 368.456 3.703 20 30 FHEDRO COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)OC(C)C ZINC000364189854 944017219 /nfs/dbraw/zinc/01/72/19/944017219.db2.gz LEBKWHZDCIUBHA-PYDYAWQMSA-N 1 0 372.509 3.991 20 30 FHEDRO C=CCC1(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000424635194 944024605 /nfs/dbraw/zinc/02/46/05/944024605.db2.gz BKTZKAJKDWPPGB-UHFFFAOYSA-N 1 0 370.537 3.730 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000417971933 944025884 /nfs/dbraw/zinc/02/58/84/944025884.db2.gz BLIOWAIQSOLGMG-FPOVZHCZSA-N 1 0 362.477 3.542 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417985032 944038429 /nfs/dbraw/zinc/03/84/29/944038429.db2.gz DVRIXIZUMIPOMM-VWKPWSFCSA-N 1 0 362.477 3.583 20 30 FHEDRO CCN(C(=O)c1sccc1C#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000126556220 944039231 /nfs/dbraw/zinc/03/92/31/944039231.db2.gz OTBNUJSQBDZSRB-MAUKXSAKSA-N 1 0 353.491 3.917 20 30 FHEDRO C=CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCOCC1 ZINC000424672137 944055549 /nfs/dbraw/zinc/05/55/49/944055549.db2.gz HWKNRKAHQKGKHQ-SFHVURJKSA-N 1 0 356.510 3.701 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccc(F)c(F)c1 ZINC000418036467 944083748 /nfs/dbraw/zinc/08/37/48/944083748.db2.gz WBWRJQRTCGGJBG-MOPGFXCFSA-N 1 0 363.452 3.756 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000425487953 944092692 /nfs/dbraw/zinc/09/26/92/944092692.db2.gz ZQCMANVGDYIXMB-LLGFUMIMSA-N 1 0 356.514 3.771 20 30 FHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000500101342 944097538 /nfs/dbraw/zinc/09/75/38/944097538.db2.gz WNNXZGMOCDSZHY-FQEVSTJZSA-N 1 0 356.514 3.939 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000425497065 944128050 /nfs/dbraw/zinc/12/80/50/944128050.db2.gz XMGOZIIIXIDVAT-OAHLLOKOSA-N 1 0 368.456 3.662 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437830992 944141430 /nfs/dbraw/zinc/14/14/30/944141430.db2.gz AKZMGJVPUMHQSS-PKOBYXMFSA-N 1 0 354.519 3.968 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437830990 944141778 /nfs/dbraw/zinc/14/17/78/944141778.db2.gz AKZMGJVPUMHQSS-IEBWSBKVSA-N 1 0 354.519 3.968 20 30 FHEDRO C=CCc1cc(C[NH2+]CCCN(C)c2ccccc2F)cc(OC)c1O ZINC000500128624 944144400 /nfs/dbraw/zinc/14/44/00/944144400.db2.gz BJEOWKCAWMKNEH-UHFFFAOYSA-N 1 0 358.457 3.885 20 30 FHEDRO N#CC[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000437851768 944166070 /nfs/dbraw/zinc/16/60/70/944166070.db2.gz PIJAKJHKVXJLSF-FPOVZHCZSA-N 1 0 353.510 3.987 20 30 FHEDRO N#CC[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000437851765 944166098 /nfs/dbraw/zinc/16/60/98/944166098.db2.gz PIJAKJHKVXJLSF-CTNGQTDRSA-N 1 0 353.510 3.987 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)cc1Cl ZINC000418112223 944169103 /nfs/dbraw/zinc/16/91/03/944169103.db2.gz BFDHPMQTVQDOTG-UHFFFAOYSA-N 1 0 353.890 3.562 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000436294102 944180543 /nfs/dbraw/zinc/18/05/43/944180543.db2.gz PMAQHKURYRBZIK-KSMMKXTCSA-N 1 0 366.889 3.637 20 30 FHEDRO N#Cc1cc(F)c(NC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000584539738 944216781 /nfs/dbraw/zinc/21/67/81/944216781.db2.gz BWLQYZQYEVUGPP-UHFFFAOYSA-N 1 0 352.251 3.746 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000425533093 944261706 /nfs/dbraw/zinc/26/17/06/944261706.db2.gz KFSPSHQZVQPQCB-XXBNENTESA-N 1 0 363.505 3.842 20 30 FHEDRO CCOc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425533293 944261913 /nfs/dbraw/zinc/26/19/13/944261913.db2.gz KOIAZRAZMBXBLB-INIZCTEOSA-N 1 0 351.450 3.979 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2Cc3ccccc3N(C)C2)cc1OC ZINC000436379688 944264982 /nfs/dbraw/zinc/26/49/82/944264982.db2.gz RJFDIOUEJXJHKB-GOSISDBHSA-N 1 0 352.478 3.658 20 30 FHEDRO CSc1nc(C2CC2)cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1C#N ZINC000517395207 944265692 /nfs/dbraw/zinc/26/56/92/944265692.db2.gz XGUOILIKHODNJX-OKILXGFUSA-N 1 0 372.538 3.545 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418207821 944267152 /nfs/dbraw/zinc/26/71/52/944267152.db2.gz CHDZCCJOLPLZLG-ACRUOGEOSA-N 1 0 368.525 3.985 20 30 FHEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000418211419 944269362 /nfs/dbraw/zinc/26/93/62/944269362.db2.gz IHEUGFLBWSWQIF-OXQOHEQNSA-N 1 0 350.466 3.941 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCOc2ccccc2C(C)C)CC1 ZINC000111495907 944274900 /nfs/dbraw/zinc/27/49/00/944274900.db2.gz FVJIEYLTCVOVOP-UHFFFAOYSA-N 1 0 359.514 3.529 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000418214878 944276418 /nfs/dbraw/zinc/27/64/18/944276418.db2.gz MHPDYFITZUPHKE-WOJBJXKFSA-N 1 0 354.498 3.595 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000418219258 944278606 /nfs/dbraw/zinc/27/86/06/944278606.db2.gz SCDGBRQPIYURIC-LJQANCHMSA-N 1 0 354.498 3.597 20 30 FHEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000418220528 944279342 /nfs/dbraw/zinc/27/93/42/944279342.db2.gz UVFIKWRXVIWWFN-RTWAWAEBSA-N 1 0 364.493 3.983 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000425536474 944283650 /nfs/dbraw/zinc/28/36/50/944283650.db2.gz OQRALKVTYFQDPK-IERDGZPVSA-N 1 0 358.445 3.618 20 30 FHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C#N)s1 ZINC000473598799 944295685 /nfs/dbraw/zinc/29/56/85/944295685.db2.gz LABCGZBIUJIXFW-IBGZPJMESA-N 1 0 367.518 3.823 20 30 FHEDRO C[NH+](C)[C@@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)c1ccccc1 ZINC000439129351 944364646 /nfs/dbraw/zinc/36/46/46/944364646.db2.gz JQWVYOIESRIPDY-INIZCTEOSA-N 1 0 370.378 3.660 20 30 FHEDRO CC(C)[N@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc(C#N)cc1 ZINC000063750339 944371306 /nfs/dbraw/zinc/37/13/06/944371306.db2.gz URAWDJIPYROXMO-UHFFFAOYSA-N 1 0 367.518 3.805 20 30 FHEDRO Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000517558321 944389549 /nfs/dbraw/zinc/38/95/49/944389549.db2.gz OQOYANFKVMPARY-IEBWSBKVSA-N 1 0 370.518 3.571 20 30 FHEDRO COc1cccc2c1CC[C@H]([NH2+]CCSCc1ccccc1C#N)C2 ZINC000425955693 944398260 /nfs/dbraw/zinc/39/82/60/944398260.db2.gz AAULNJUOOVGPFB-IBGZPJMESA-N 1 0 352.503 3.947 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)C2=O)cc1 ZINC000437781127 944414863 /nfs/dbraw/zinc/41/48/63/944414863.db2.gz FHLBKUDRHXICJZ-INMHGKMJSA-N 1 0 365.399 3.764 20 30 FHEDRO C=CCOc1ccc(-c2noc([C@@H]3C[C@@H](C(F)(F)F)C[NH2+]3)n2)c(F)c1 ZINC001211656710 944479106 /nfs/dbraw/zinc/47/91/06/944479106.db2.gz LDYHTSOUYJBSKG-RNCFNFMXSA-N 1 0 357.307 3.653 20 30 FHEDRO Cc1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017517642 944479445 /nfs/dbraw/zinc/47/94/45/944479445.db2.gz BSFQPCLYCNMLRS-UHFFFAOYSA-N 1 0 364.518 3.771 20 30 FHEDRO CC(C)C[C@@H](CNC(=O)Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000517714869 944530182 /nfs/dbraw/zinc/53/01/82/944530182.db2.gz PQUMHMPIMJLHPG-GCJKJVERSA-N 1 0 363.505 3.982 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000426365462 944565060 /nfs/dbraw/zinc/56/50/60/944565060.db2.gz LMRZIQZELDEBDN-UHFFFAOYSA-N 1 0 363.892 3.771 20 30 FHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000517749150 944575674 /nfs/dbraw/zinc/57/56/74/944575674.db2.gz BODLRUAKJKXMMO-NRFANRHFSA-N 1 0 361.489 3.938 20 30 FHEDRO C[C@@H]1CCC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000516241836 944610849 /nfs/dbraw/zinc/61/08/49/944610849.db2.gz SHWQIEDDKXARHV-NQIIRXRSSA-N 1 0 368.525 3.602 20 30 FHEDRO CCCN(CC(=O)c1cc(C)n(CCOC)c1C)Cc1ccc(C#N)cc1 ZINC000085786662 944622590 /nfs/dbraw/zinc/62/25/90/944622590.db2.gz AOVNZDHVWCCROI-UHFFFAOYSA-N 1 0 367.493 3.718 20 30 FHEDRO CCCN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000516262187 944624772 /nfs/dbraw/zinc/62/47/72/944624772.db2.gz WFDVNTRQLDIHPE-FQEVSTJZSA-N 1 0 362.477 3.509 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000517800615 944640164 /nfs/dbraw/zinc/64/01/64/944640164.db2.gz QFMZOZKWPUKODE-NFBKMPQASA-N 1 0 373.500 3.964 20 30 FHEDRO CSCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000439475153 944658521 /nfs/dbraw/zinc/65/85/21/944658521.db2.gz YHIVLEXXCYDGAS-UHFFFAOYSA-N 1 0 365.568 3.902 20 30 FHEDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000439497331 944703298 /nfs/dbraw/zinc/70/32/98/944703298.db2.gz WLRTUSGOWZTIRA-UHFFFAOYSA-N 1 0 355.413 3.608 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000426411760 944722351 /nfs/dbraw/zinc/72/23/51/944722351.db2.gz REZDNBUQOJRALK-MISYRCLQSA-N 1 0 356.510 3.747 20 30 FHEDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(C#N)cc1 ZINC000518813994 944808121 /nfs/dbraw/zinc/80/81/21/944808121.db2.gz JDPDNJKHSVIUKH-UWJYYQICSA-N 1 0 368.525 3.963 20 30 FHEDRO N#Cc1ccccc1OC1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000517925392 944843382 /nfs/dbraw/zinc/84/33/82/944843382.db2.gz IAWRHEIGPPDDMM-KBWCOIMZSA-N 1 0 368.452 3.581 20 30 FHEDRO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCCC1(C)C)C1CC1 ZINC000426836068 944854865 /nfs/dbraw/zinc/85/48/65/944854865.db2.gz SXQQQFUPDOIINA-KNQAVFIVSA-N 1 0 353.510 3.876 20 30 FHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438640391 944875686 /nfs/dbraw/zinc/87/56/86/944875686.db2.gz GYYCAMYHCAKFRD-LBPRGKRZSA-N 1 0 354.376 3.573 20 30 FHEDRO C=CC[NH+]1CCC(NCc2csc(N(C(C)=O)c3ccccc3)n2)CC1 ZINC000638523772 944879015 /nfs/dbraw/zinc/87/90/15/944879015.db2.gz GWTFDTCMGBZRLQ-UHFFFAOYSA-N 1 0 370.522 3.568 20 30 FHEDRO C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000517977221 944885505 /nfs/dbraw/zinc/88/55/05/944885505.db2.gz VLXOCXMWQWIGKK-BRWVUGGUSA-N 1 0 356.514 3.675 20 30 FHEDRO N#CCCC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000516461502 944891151 /nfs/dbraw/zinc/89/11/51/944891151.db2.gz SEIWQCAZTZLSMG-UHFFFAOYSA-N 1 0 354.410 3.808 20 30 FHEDRO N#CCCC[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000431987927 944897376 /nfs/dbraw/zinc/89/73/76/944897376.db2.gz RTVGZPDLVKENGK-RTWAWAEBSA-N 1 0 368.525 3.985 20 30 FHEDRO N#Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000505927961 944911480 /nfs/dbraw/zinc/91/14/80/944911480.db2.gz GPQDABRZONQSHA-SFHVURJKSA-N 1 0 355.388 3.654 20 30 FHEDRO C=CCc1cc(CN2CC[NH+](CCc3cccs3)CC2)cc(OC)c1O ZINC000507094101 944933118 /nfs/dbraw/zinc/93/31/18/944933118.db2.gz QUBJIDIZMRVWFJ-UHFFFAOYSA-N 1 0 372.534 3.551 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000438699694 944941669 /nfs/dbraw/zinc/94/16/69/944941669.db2.gz UMHZMJLVQVSFGQ-HSZRJFAPSA-N 1 0 370.456 3.794 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511739312 944972786 /nfs/dbraw/zinc/97/27/86/944972786.db2.gz BTXIANJYMSOQBA-OAQYLSRUSA-N 1 0 361.489 3.897 20 30 FHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)nc1 ZINC000427009074 944993912 /nfs/dbraw/zinc/99/39/12/944993912.db2.gz PCDIJEZMJOZYSD-SFHVURJKSA-N 1 0 367.880 3.746 20 30 FHEDRO CCO[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C12CCCC2 ZINC000437099831 945018963 /nfs/dbraw/zinc/01/89/63/945018963.db2.gz SAHZWOMOMVDGRL-GUMHCPJTSA-N 1 0 369.509 3.971 20 30 FHEDRO N#Cc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(Cl)c1 ZINC000426152927 945021624 /nfs/dbraw/zinc/02/16/24/945021624.db2.gz IVIQENKIRFDBQA-INIZCTEOSA-N 1 0 358.829 3.763 20 30 FHEDRO C#Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)nc1 ZINC000728803840 945024196 /nfs/dbraw/zinc/02/41/96/945024196.db2.gz OSAMPZAPOMXCOA-IBGZPJMESA-N 1 0 355.869 3.529 20 30 FHEDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1(C)C ZINC000437105435 945025837 /nfs/dbraw/zinc/02/58/37/945025837.db2.gz RXLWHQCRRHWKJF-CSODTCANSA-N 1 0 357.498 3.825 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C)(CC)CC2)cc1 ZINC000507204770 945029416 /nfs/dbraw/zinc/02/94/16/945029416.db2.gz KYEGYEQEZKYJFB-UHFFFAOYSA-N 1 0 357.498 3.844 20 30 FHEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000518107322 945030540 /nfs/dbraw/zinc/03/05/40/945030540.db2.gz VVXLJJBFFPATEA-INIZCTEOSA-N 1 0 367.880 3.806 20 30 FHEDRO CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426152579 945031398 /nfs/dbraw/zinc/03/13/98/945031398.db2.gz HHQQLQXDWVVZGX-QGZVFWFLSA-N 1 0 368.868 3.950 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000660495373 945033261 /nfs/dbraw/zinc/03/32/61/945033261.db2.gz JERVWPOASITPHZ-PCCBWWKXSA-N 1 0 353.510 3.791 20 30 FHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437846929 945036205 /nfs/dbraw/zinc/03/62/05/945036205.db2.gz RZLMRFWURRAXFO-LJQANCHMSA-N 1 0 369.509 3.629 20 30 FHEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1OC ZINC000516605852 945048420 /nfs/dbraw/zinc/04/84/20/945048420.db2.gz VBZRFHKTHMTQPF-GJZGRUSLSA-N 1 0 354.450 3.866 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437127331 945056589 /nfs/dbraw/zinc/05/65/89/945056589.db2.gz XRXDXJUQJVFTCW-RKVPGOIHSA-N 1 0 363.452 3.997 20 30 FHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000509547534 945058477 /nfs/dbraw/zinc/05/84/77/945058477.db2.gz ZZXAQHAITHMTGU-IBGZPJMESA-N 1 0 359.489 3.746 20 30 FHEDRO N#Cc1c(F)cccc1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000427432437 945371771 /nfs/dbraw/zinc/37/17/71/945371771.db2.gz ULYRNJPAMVUYHK-UHFFFAOYSA-N 1 0 353.441 3.514 20 30 FHEDRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330210390 945403881 /nfs/dbraw/zinc/40/38/81/945403881.db2.gz IHYBKGGOBOXPDR-AWEZNQCLSA-N 1 0 370.280 3.667 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000507650913 945404155 /nfs/dbraw/zinc/40/41/55/945404155.db2.gz BOQKVEIBYOBAPH-SWCONJRYSA-N 1 0 359.473 3.786 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000440326974 945405575 /nfs/dbraw/zinc/40/55/75/945405575.db2.gz IDRQZTXZOWVQFI-IEBWSBKVSA-N 1 0 372.534 3.929 20 30 FHEDRO CCn1ncc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1-c1ccccc1 ZINC000330220314 945408615 /nfs/dbraw/zinc/40/86/15/945408615.db2.gz KTQMPJKUMZBPRG-KRWDZBQOSA-N 1 0 352.482 3.892 20 30 FHEDRO CCn1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1-c1ccccc1 ZINC000330220316 945409193 /nfs/dbraw/zinc/40/91/93/945409193.db2.gz KTQMPJKUMZBPRG-QGZVFWFLSA-N 1 0 352.482 3.892 20 30 FHEDRO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000614516810 945410829 /nfs/dbraw/zinc/41/08/29/945410829.db2.gz RMZOYKQRRGVFQN-QGZVFWFLSA-N 1 0 367.880 3.854 20 30 FHEDRO N#CCCCOc1cccc(C[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000507671337 945422428 /nfs/dbraw/zinc/42/24/28/945422428.db2.gz ZDQGGASBSKNLNL-UHFFFAOYSA-N 1 0 351.450 3.808 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000330255224 945428046 /nfs/dbraw/zinc/42/80/46/945428046.db2.gz JWGLZBXWCQXCCT-NZVBXONLSA-N 1 0 353.260 3.583 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)c(C)c1 ZINC000330265641 945433809 /nfs/dbraw/zinc/43/38/09/945433809.db2.gz ZMSIMTUATKIKPX-QGZVFWFLSA-N 1 0 359.470 3.554 20 30 FHEDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000330269483 945435417 /nfs/dbraw/zinc/43/54/17/945435417.db2.gz RZMYAKLSTLSWAO-UGSOOPFHSA-N 1 0 356.470 3.819 20 30 FHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000330288567 945446452 /nfs/dbraw/zinc/44/64/52/945446452.db2.gz DCURFHSRPGTUCG-KRWDZBQOSA-N 1 0 360.498 3.956 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001126570115 945452015 /nfs/dbraw/zinc/45/20/15/945452015.db2.gz YWRDFKRNIGEUEE-COPCDDAFSA-N 1 0 361.489 3.711 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000473615613 945496313 /nfs/dbraw/zinc/49/63/13/945496313.db2.gz QHNNCTHVXIHICI-IRLDBZIGSA-N 1 0 358.526 3.805 20 30 FHEDRO CC1(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[NH2+]CC1 ZINC000415013732 945497545 /nfs/dbraw/zinc/49/75/45/945497545.db2.gz VNZHLJBZWKGGIV-UHFFFAOYSA-N 1 0 350.422 3.614 20 30 FHEDRO Cc1nccnc1CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000550295006 945501693 /nfs/dbraw/zinc/50/16/93/945501693.db2.gz KVZULHLJERUSMB-UHFFFAOYSA-N 1 0 358.445 3.568 20 30 FHEDRO CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000330308630 945511148 /nfs/dbraw/zinc/51/11/48/945511148.db2.gz MIRUGKOCCQZBFV-USNOLKROSA-N 1 0 374.525 3.958 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000519512523 945514515 /nfs/dbraw/zinc/51/45/15/945514515.db2.gz RXBGAJXMXVYZEQ-XMSQKQJNSA-N 1 0 368.525 3.766 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000519512521 945514839 /nfs/dbraw/zinc/51/48/39/945514839.db2.gz RXBGAJXMXVYZEQ-GCJKJVERSA-N 1 0 368.525 3.766 20 30 FHEDRO O=C(CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCCc2ccccc21 ZINC000330316677 945538763 /nfs/dbraw/zinc/53/87/63/945538763.db2.gz ZNAFJLAUEGLIDQ-FQEVSTJZSA-N 1 0 369.509 3.719 20 30 FHEDRO N#CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000281223743 945558491 /nfs/dbraw/zinc/55/84/91/945558491.db2.gz ZQPFJZDUCBHYKU-SFHVURJKSA-N 1 0 356.470 3.508 20 30 FHEDRO CC(C)(CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000281241606 945573484 /nfs/dbraw/zinc/57/34/84/945573484.db2.gz VFUNTXFZSWNZPC-UHFFFAOYSA-N 1 0 367.415 3.571 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(C)cccc3C2)c(OC)c1 ZINC000729480180 945576383 /nfs/dbraw/zinc/57/63/83/945576383.db2.gz NWPHOFGPXWFLQI-HXUWFJFHSA-N 1 0 367.489 3.530 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281292503 945590022 /nfs/dbraw/zinc/59/00/22/945590022.db2.gz HJDKMFTUIMGFHX-MRXNPFEDSA-N 1 0 360.527 3.888 20 30 FHEDRO Cc1ccc2c(c1)CCN2C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000024973512 945671207 /nfs/dbraw/zinc/67/12/07/945671207.db2.gz TYTSEVMQPXOWBU-UHFFFAOYSA-N 1 0 374.488 3.603 20 30 FHEDRO Cc1cc(C[NH2+]Cc2cc(Br)cc3c2OCC3)ccc1C#N ZINC000443999077 945703086 /nfs/dbraw/zinc/70/30/86/945703086.db2.gz XKZIZBZOMYPFCY-UHFFFAOYSA-N 1 0 357.251 3.854 20 30 FHEDRO CNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc2c(c1)CCCC2 ZINC000027302894 945704143 /nfs/dbraw/zinc/70/41/43/945704143.db2.gz PLLJPZQARZUTBU-UHFFFAOYSA-O 1 0 365.478 3.757 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3ccc(C#N)c(C)c3)C2)c1 ZINC000444001561 945708814 /nfs/dbraw/zinc/70/88/14/945708814.db2.gz LIDDEGPVBFDJEI-GOSISDBHSA-N 1 0 365.477 3.500 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000110663360 945716547 /nfs/dbraw/zinc/71/65/47/945716547.db2.gz KWFKBJSBMWEVRK-LSDHHAIUSA-N 1 0 368.308 3.791 20 30 FHEDRO C=CCC[C@H](CC)[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000519753540 945734397 /nfs/dbraw/zinc/73/43/97/945734397.db2.gz FZJQMKDRCOKSLK-KRWDZBQOSA-N 1 0 355.482 3.890 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000661114969 945737568 /nfs/dbraw/zinc/73/75/68/945737568.db2.gz NKDKQHXXXYHMEN-ZIAGYGMSSA-N 1 0 360.483 3.770 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000661115890 945739672 /nfs/dbraw/zinc/73/96/72/945739672.db2.gz VCASLYVVLHYXAN-FXAWDEMLSA-N 1 0 351.494 3.618 20 30 FHEDRO N#CCCCn1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000444033560 945740488 /nfs/dbraw/zinc/74/04/88/945740488.db2.gz FWANLHQXXZFYSS-UHFFFAOYSA-N 1 0 364.493 3.549 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000519808344 945774199 /nfs/dbraw/zinc/77/41/99/945774199.db2.gz JGFZMXBWUIRQGW-YOEHRIQHSA-N 1 0 366.490 3.971 20 30 FHEDRO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000444065678 945777134 /nfs/dbraw/zinc/77/71/34/945777134.db2.gz RIZWIWRMOBRUNB-UHFFFAOYSA-N 1 0 357.479 3.509 20 30 FHEDRO COc1ccc(C#N)cc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519850044 945818924 /nfs/dbraw/zinc/81/89/24/945818924.db2.gz LJPPLSJNIRFKFO-ICSRJNTNSA-N 1 0 373.859 3.894 20 30 FHEDRO COc1ccc(C#N)cc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519850027 945819019 /nfs/dbraw/zinc/81/90/19/945819019.db2.gz LJPPLSJNIRFKFO-AZUAARDMSA-N 1 0 373.859 3.894 20 30 FHEDRO N#CC1CCC(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000281727471 945824521 /nfs/dbraw/zinc/82/45/21/945824521.db2.gz PONYMAJYLXYYON-UHFFFAOYSA-N 1 0 365.477 3.513 20 30 FHEDRO CC[C@@H](C#N)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000593421633 945827288 /nfs/dbraw/zinc/82/72/88/945827288.db2.gz VWMMNQNPDFSWJV-AWEZNQCLSA-N 1 0 356.297 3.823 20 30 FHEDRO COCc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000550098130 945836490 /nfs/dbraw/zinc/83/64/90/945836490.db2.gz XZFWPEOZOKFFHM-UHFFFAOYSA-N 1 0 354.425 3.887 20 30 FHEDRO [NH2+]=C(NCc1ccc(N2CCCCC2)nc1)Nc1cccc2c1CCCC2 ZINC000262501546 945837147 /nfs/dbraw/zinc/83/71/47/945837147.db2.gz YPGXSVJFGOILHC-UHFFFAOYSA-N 1 0 363.509 3.878 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000121304566 945841558 /nfs/dbraw/zinc/84/15/58/945841558.db2.gz SIOSPJJEYZZFSN-HNNXBMFYSA-N 1 0 357.454 3.652 20 30 FHEDRO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(C(F)(F)F)c1 ZINC000519907700 945872152 /nfs/dbraw/zinc/87/21/52/945872152.db2.gz WCSCWRDIDGROIG-GOSISDBHSA-N 1 0 367.415 3.724 20 30 FHEDRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=[NH2+])Nc1cccc(C)c1)O[C@H](C)C2 ZINC000262503874 945970733 /nfs/dbraw/zinc/97/07/33/945970733.db2.gz ATODUYJIASYGNS-LJHODMEESA-N 1 0 365.477 4.000 20 30 FHEDRO CCC1CCC(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000519974930 945984764 /nfs/dbraw/zinc/98/47/64/945984764.db2.gz KXPPMDSKDWXEQO-UHFFFAOYSA-N 1 0 370.541 3.848 20 30 FHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC001126576760 946005633 /nfs/dbraw/zinc/00/56/33/946005633.db2.gz RXMLVGZXEBBYOQ-GNNUASRNSA-N 1 0 359.473 3.867 20 30 FHEDRO C=CC[C@H]1CCC[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000661379790 946052257 /nfs/dbraw/zinc/05/22/57/946052257.db2.gz AKGHAPMBHPJVRP-INIZCTEOSA-N 1 0 355.507 3.861 20 30 FHEDRO CCC[N@H+](CCOc1ccccc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729483864 946053664 /nfs/dbraw/zinc/05/36/64/946053664.db2.gz NIKIEPXLPJIFQO-SFHVURJKSA-N 1 0 373.497 3.658 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCCO[C@H]2C(C)(C)C)cc1Cl ZINC000262506366 946056871 /nfs/dbraw/zinc/05/68/71/946056871.db2.gz BORSJOFUNWRZBM-BLLLJJGKSA-N 1 0 353.894 3.917 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)CCC[NH2+]1 ZINC000662825895 946077006 /nfs/dbraw/zinc/07/70/06/946077006.db2.gz NSPWCFLZKMGSEI-UZLBHIALSA-N 1 0 362.901 3.656 20 30 FHEDRO CCC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000181777594 946077025 /nfs/dbraw/zinc/07/70/25/946077025.db2.gz TVUJDEZKQAQPAD-HXUWFJFHSA-N 1 0 373.460 3.813 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1CCC(C#N)CC1 ZINC000441002319 946101828 /nfs/dbraw/zinc/10/18/28/946101828.db2.gz VECQTFSHIOOPRX-VCAKUFKGSA-N 1 0 368.525 3.621 20 30 FHEDRO COc1cc(N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)cc(OC)c1 ZINC000441006067 946107086 /nfs/dbraw/zinc/10/70/86/946107086.db2.gz DVOUSTVVYHIGPT-LJQANCHMSA-N 1 0 368.452 3.771 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)C1 ZINC000444238179 946109590 /nfs/dbraw/zinc/10/95/90/946109590.db2.gz AEJCZFALRBMAFP-YLJYHZDGSA-N 1 0 366.509 3.747 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C1 ZINC000444238171 946109626 /nfs/dbraw/zinc/10/96/26/946109626.db2.gz AEJCZFALRBMAFP-FXAWDEMLSA-N 1 0 366.509 3.747 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520128038 946156867 /nfs/dbraw/zinc/15/68/67/946156867.db2.gz RECYEXWTYBWMGV-QFIPXVFZSA-N 1 0 363.505 3.701 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000520131670 946162893 /nfs/dbraw/zinc/16/28/93/946162893.db2.gz PMWVSCQJLIEGEF-QZTJIDSGSA-N 1 0 354.498 3.519 20 30 FHEDRO C=C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000662869213 946213819 /nfs/dbraw/zinc/21/38/19/946213819.db2.gz YIZQNAIPGAUBAB-CZAAIQMYSA-N 1 0 352.453 3.747 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000441112635 946222269 /nfs/dbraw/zinc/22/22/69/946222269.db2.gz LMNDJFZKVFCJGJ-HZPDHXFCSA-N 1 0 352.569 3.869 20 30 FHEDRO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000520173653 946228694 /nfs/dbraw/zinc/22/86/94/946228694.db2.gz UUJADBPJDDVCMQ-NRFANRHFSA-N 1 0 352.478 3.825 20 30 FHEDRO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)cc1 ZINC000441202720 946313733 /nfs/dbraw/zinc/31/37/33/946313733.db2.gz GVCGMXHNRADENS-IFMALSPDSA-N 1 0 361.489 3.820 20 30 FHEDRO C=CCn1c(CC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508472147 946403805 /nfs/dbraw/zinc/40/38/05/946403805.db2.gz IVSJZZADCTZUKS-IBGZPJMESA-N 1 0 359.562 3.611 20 30 FHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000121364723 946422349 /nfs/dbraw/zinc/42/23/49/946422349.db2.gz KOSDKELPBJGVSJ-UHFFFAOYSA-N 1 0 367.424 3.557 20 30 FHEDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000475130281 946436989 /nfs/dbraw/zinc/43/69/89/946436989.db2.gz UWWHXRRDHPEVKL-QFIPXVFZSA-N 1 0 350.462 3.874 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)N2Cc3ccccc3C2)cc1Cl ZINC000475494181 946442059 /nfs/dbraw/zinc/44/20/59/946442059.db2.gz PFFYCLHCEPRASY-HNNXBMFYSA-N 1 0 370.880 3.925 20 30 FHEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000441337991 946446121 /nfs/dbraw/zinc/44/61/21/946446121.db2.gz KMZAEEWUMBNIES-MFMILTCTSA-N 1 0 354.425 3.520 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000520349704 946460731 /nfs/dbraw/zinc/46/07/31/946460731.db2.gz LUJBNONGFDSPBO-NRFANRHFSA-N 1 0 352.478 3.951 20 30 FHEDRO C=CCn1c([C@@H](C)CC)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508488243 946473801 /nfs/dbraw/zinc/47/38/01/946473801.db2.gz JAWVJWQWJQDPES-AZUAARDMSA-N 1 0 367.541 3.936 20 30 FHEDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000441369911 946520813 /nfs/dbraw/zinc/52/08/13/946520813.db2.gz GEGMHDCTILCLNF-UXHICEINSA-N 1 0 353.510 3.906 20 30 FHEDRO Cc1cc(Br)cn2c(C[NH2+]CC3CCC(C#N)CC3)cnc12 ZINC000441384724 946528767 /nfs/dbraw/zinc/52/87/67/946528767.db2.gz VBGBXPRCNQPXAF-UHFFFAOYSA-N 1 0 361.287 3.825 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)Cn1ccnc1 ZINC000066905627 946586554 /nfs/dbraw/zinc/58/65/54/946586554.db2.gz URBOLCSLHWFJRQ-SFHVURJKSA-N 1 0 360.461 3.760 20 30 FHEDRO Cc1n[nH]cc1CCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905246 946587872 /nfs/dbraw/zinc/58/78/72/946587872.db2.gz DGHHKRVLNOGIGX-UHFFFAOYSA-N 1 0 360.461 3.891 20 30 FHEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000121407805 946669880 /nfs/dbraw/zinc/66/98/80/946669880.db2.gz SXBSYMVWQHNVAS-CZUORRHYSA-N 1 0 357.454 3.965 20 30 FHEDRO COC1CCC(C)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000475208284 946722931 /nfs/dbraw/zinc/72/29/31/946722931.db2.gz DGIPXMDNZFUFHT-UHFFFAOYSA-N 1 0 367.497 3.544 20 30 FHEDRO COC1CCC(C)(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000475210726 946728947 /nfs/dbraw/zinc/72/89/47/946728947.db2.gz IAPRRUHEHZGVSK-UHFFFAOYSA-N 1 0 352.482 3.644 20 30 FHEDRO C=C(C)CN1CCC([NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000106245786 946731818 /nfs/dbraw/zinc/73/18/18/946731818.db2.gz ZERMSPNVELFRLA-UHFFFAOYSA-N 1 0 356.489 3.758 20 30 FHEDRO CCCOc1ccc(Oc2ncccc2CNC(=[NH2+])NC(C)(C)C)cc1 ZINC000303906625 946734175 /nfs/dbraw/zinc/73/41/75/946734175.db2.gz ZZGOFRQOCPVTOC-UHFFFAOYSA-N 1 0 356.470 3.866 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CCCC1 ZINC000661851457 946758384 /nfs/dbraw/zinc/75/83/84/946758384.db2.gz RTQOKZDHGJICAG-SFHVURJKSA-N 1 0 370.493 3.600 20 30 FHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000609984424 946797746 /nfs/dbraw/zinc/79/77/46/946797746.db2.gz DEVZHMPUQORVHZ-OAQYLSRUSA-N 1 0 363.461 3.763 20 30 FHEDRO CCCC[N@H+](C)CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000609989256 946805503 /nfs/dbraw/zinc/80/55/03/946805503.db2.gz NASXDZSNJDXVIK-UHFFFAOYSA-N 1 0 350.466 3.764 20 30 FHEDRO C=CCOc1ccccc1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113092572 946829907 /nfs/dbraw/zinc/82/99/07/946829907.db2.gz FOWXLFARHWGNSE-UHFFFAOYSA-N 1 0 364.489 3.988 20 30 FHEDRO C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(Cl)cc3C#N)CC2)C1 ZINC000186679292 946847382 /nfs/dbraw/zinc/84/73/82/946847382.db2.gz GHSUKMRXMUGVRO-OAHLLOKOSA-N 1 0 359.901 3.682 20 30 FHEDRO [NH2+]=C(NCC1(c2ccccc2Cl)CC1)N[C@H]1CCOc2ccccc21 ZINC000305676282 946858081 /nfs/dbraw/zinc/85/80/81/946858081.db2.gz LCWFSIKWRSHBAN-KRWDZBQOSA-N 1 0 355.869 3.800 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000473951505 946860957 /nfs/dbraw/zinc/86/09/57/946860957.db2.gz KSRYWRIBDUZJBP-RXVVDRJESA-N 1 0 350.547 3.718 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000473951504 946861598 /nfs/dbraw/zinc/86/15/98/946861598.db2.gz KSRYWRIBDUZJBP-NQIIRXRSSA-N 1 0 350.547 3.718 20 30 FHEDRO COc1ccccc1C[C@H](C)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000441421914 946878916 /nfs/dbraw/zinc/87/89/16/946878916.db2.gz PDSGFIJSNVSVIO-AWEZNQCLSA-N 1 0 357.479 3.520 20 30 FHEDRO N#Cc1ccc(C(F)(F)F)c(N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000475348861 946922003 /nfs/dbraw/zinc/92/20/03/946922003.db2.gz FNWLNQRQYRVKIG-UHFFFAOYSA-N 1 0 367.415 3.516 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000328652434 946966681 /nfs/dbraw/zinc/96/66/81/946966681.db2.gz KMDZTLFHZWQUKP-JKSUJKDBSA-N 1 0 351.878 3.889 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000328652431 946966863 /nfs/dbraw/zinc/96/68/63/946966863.db2.gz KMDZTLFHZWQUKP-CVEARBPZSA-N 1 0 351.878 3.889 20 30 FHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1OC ZINC000475378079 946978966 /nfs/dbraw/zinc/97/89/66/946978966.db2.gz DAHPGHJAWFAZHF-HSZRJFAPSA-N 1 0 367.489 3.830 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc3nsnc32)C1 ZINC000328735878 947004373 /nfs/dbraw/zinc/00/43/73/947004373.db2.gz KURRKHNVSWSUMI-KFZJALRRSA-N 1 0 374.510 3.541 20 30 FHEDRO O=C(NCc1ccc(OC2CCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328741769 947005610 /nfs/dbraw/zinc/00/56/10/947005610.db2.gz MMIHQXNNHFEJKW-WOJBJXKFSA-N 1 0 357.498 3.638 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000328765639 947018614 /nfs/dbraw/zinc/01/86/14/947018614.db2.gz GVGRFIJHILJMJD-RHSMWYFYSA-N 1 0 363.889 3.666 20 30 FHEDRO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328811055 947032507 /nfs/dbraw/zinc/03/25/07/947032507.db2.gz MTAXCCSSDHHHRQ-SMMRIJLZSA-N 1 0 360.498 3.648 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000432271311 947032881 /nfs/dbraw/zinc/03/28/81/947032881.db2.gz QKGHAWXHQNHKRX-INIZCTEOSA-N 1 0 350.466 3.899 20 30 FHEDRO O=C(NCCc1cccc2[nH]ccc21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000328814474 947033507 /nfs/dbraw/zinc/03/35/07/947033507.db2.gz PIKAWQHVUJOJTG-SFHVURJKSA-N 1 0 354.498 3.575 20 30 FHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3ncoc3C3CC3)CCCCC2)CCO1 ZINC000328793587 947049521 /nfs/dbraw/zinc/04/95/21/947049521.db2.gz AZMHDWSHKNTEOW-UHFFFAOYSA-N 1 0 361.486 3.670 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000328797301 947050418 /nfs/dbraw/zinc/05/04/18/947050418.db2.gz VOYCVNZJRXZZSG-WBVHZDCISA-N 1 0 361.461 3.542 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)[C@]2(C)CCC(=O)NC2)CCOCC1)c1ccccc1 ZINC000328837604 947058997 /nfs/dbraw/zinc/05/89/97/947058997.db2.gz TUVSNMILASGUJQ-OXJNMPFZSA-N 1 0 373.497 3.600 20 30 FHEDRO N#Cc1ccc(C(F)(F)F)c(NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000475431613 947078046 /nfs/dbraw/zinc/07/80/46/947078046.db2.gz VFHCHVMWUUCFAV-UHFFFAOYSA-N 1 0 353.388 3.634 20 30 FHEDRO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)c1 ZINC000328936943 947092870 /nfs/dbraw/zinc/09/28/70/947092870.db2.gz CTORSBMTVIVXFM-SFFNPBHPSA-N 1 0 360.498 3.532 20 30 FHEDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444685053 947108736 /nfs/dbraw/zinc/10/87/36/947108736.db2.gz MRQKSPOKZZFNOX-FGZHOGPDSA-N 1 0 364.489 3.670 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1Cl ZINC000444699959 947124878 /nfs/dbraw/zinc/12/48/78/947124878.db2.gz FJRBKJUSVLHIGC-NSHDSACASA-N 1 0 359.779 3.815 20 30 FHEDRO COC(=O)[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1C ZINC000444700369 947127639 /nfs/dbraw/zinc/12/76/39/947127639.db2.gz GARFAROHGVUCTN-RXVVDRJESA-N 1 0 362.473 3.770 20 30 FHEDRO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000328974967 947129667 /nfs/dbraw/zinc/12/96/67/947129667.db2.gz PUBOBTCAQWEYBH-SFGWALBWSA-N 1 0 374.525 3.824 20 30 FHEDRO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000328974964 947129730 /nfs/dbraw/zinc/12/97/30/947129730.db2.gz PUBOBTCAQWEYBH-JUXOCIIHSA-N 1 0 374.525 3.824 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444711310 947139905 /nfs/dbraw/zinc/13/99/05/947139905.db2.gz UQKBXAYZXNGBHH-KGLIPLIRSA-N 1 0 360.445 3.926 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440541474 947177363 /nfs/dbraw/zinc/17/73/63/947177363.db2.gz WIHVWNBWNXZFEY-FGSXEWAUSA-N 1 0 367.493 3.556 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444751563 947188087 /nfs/dbraw/zinc/18/80/87/947188087.db2.gz FEQRXZTVDXKHFS-ZWKOTPCHSA-N 1 0 357.498 3.698 20 30 FHEDRO C=CC[C@@H]1[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)CCCC1(C)C ZINC000444782717 947196270 /nfs/dbraw/zinc/19/62/70/947196270.db2.gz JCHXRIRPFIOGLQ-SFHVURJKSA-N 1 0 351.512 3.536 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000662083281 947218535 /nfs/dbraw/zinc/21/85/35/947218535.db2.gz BBDXBUFTXUTUDF-QKLQHJQFSA-N 1 0 370.493 3.550 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000662087711 947227083 /nfs/dbraw/zinc/22/70/83/947227083.db2.gz IQXCQZIBAMKXNV-SVFBPWRDSA-N 1 0 354.494 3.932 20 30 FHEDRO COc1c(Cl)cc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1Cl ZINC000330787327 947285026 /nfs/dbraw/zinc/28/50/26/947285026.db2.gz OVOCIXBJZOPHBU-SNVBAGLBSA-N 1 0 358.269 3.978 20 30 FHEDRO Cc1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1NC(=O)NC(C)(C)C ZINC000330788641 947286399 /nfs/dbraw/zinc/28/63/99/947286399.db2.gz QZOOAZZFCKOHFS-OAHLLOKOSA-N 1 0 372.513 3.884 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)c(OC(C)C)c2)C[C@H]1C ZINC000330900490 947307414 /nfs/dbraw/zinc/30/74/14/947307414.db2.gz JVPRNWQNNGWMNU-NVXWUHKLSA-N 1 0 363.502 3.833 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000330901276 947307842 /nfs/dbraw/zinc/30/78/42/947307842.db2.gz AYJPPKDKAHKIMH-CQSZACIVSA-N 1 0 363.477 3.989 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000330942743 947314366 /nfs/dbraw/zinc/31/43/66/947314366.db2.gz GVQWCCGTBFPCCO-RYUDHWBXSA-N 1 0 354.838 3.598 20 30 FHEDRO COc1cc([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CC2)ccc1OC1CCCC1 ZINC000599349876 947320747 /nfs/dbraw/zinc/32/07/47/947320747.db2.gz LFHGGWZBWYWELW-DOTOQJQBSA-N 1 0 358.482 3.722 20 30 FHEDRO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1NC(=O)NC(C)(C)C ZINC000330923399 947321715 /nfs/dbraw/zinc/32/17/15/947321715.db2.gz DFHZEPUCOSQISL-CRAIPNDOSA-N 1 0 374.529 3.962 20 30 FHEDRO C=CC[NH+]1CCC(Nc2ccc(C(=O)Nc3ccc(C)cc3)cn2)CC1 ZINC000301399826 947326470 /nfs/dbraw/zinc/32/64/70/947326470.db2.gz PIOZNCZIKVTHJN-UHFFFAOYSA-N 1 0 350.466 3.705 20 30 FHEDRO CCNC(=O)c1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000331105926 947347735 /nfs/dbraw/zinc/34/77/35/947347735.db2.gz GGLODOSSFPIBKU-NVXWUHKLSA-N 1 0 360.502 3.670 20 30 FHEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000331119479 947351373 /nfs/dbraw/zinc/35/13/73/947351373.db2.gz LRBZNEUXOQDQSB-NVXWUHKLSA-N 1 0 360.502 3.694 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(NC(C)=O)cc2Cl)C[C@H]1C ZINC000331125987 947353436 /nfs/dbraw/zinc/35/34/36/947353436.db2.gz NSYPGLASTQOCDB-DOMZBBRYSA-N 1 0 366.893 3.649 20 30 FHEDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1OC ZINC000440610396 947356354 /nfs/dbraw/zinc/35/63/54/947356354.db2.gz DCXVHTFYVBUVEQ-OAHLLOKOSA-N 1 0 354.450 3.552 20 30 FHEDRO C=CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000523550868 947365564 /nfs/dbraw/zinc/36/55/64/947365564.db2.gz DZMXSYFXDYMKRA-IBGZPJMESA-N 1 0 372.509 3.800 20 30 FHEDRO COCCC[NH+]1CCC(NC(=O)Nc2cc(C)c(Cl)c(C)c2)CC1 ZINC000331280024 947376124 /nfs/dbraw/zinc/37/61/24/947376124.db2.gz TZMUHLHEHYCSKU-UHFFFAOYSA-N 1 0 353.894 3.784 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1c[nH]c2cccc(C)c12)C(C)C ZINC000508517384 947443522 /nfs/dbraw/zinc/44/35/22/947443522.db2.gz FEOUQUSMJMZQQN-FQEVSTJZSA-N 1 0 353.510 3.834 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)ccc1C#N ZINC000440641008 947463995 /nfs/dbraw/zinc/46/39/95/947463995.db2.gz UVCSGXBERVXVAF-HNNXBMFYSA-N 1 0 359.832 3.728 20 30 FHEDRO CN(C(=O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)C1(C#N)CCCCC1 ZINC000523634546 947466956 /nfs/dbraw/zinc/46/69/56/947466956.db2.gz CHXRPICEEIOFQB-QGZVFWFLSA-N 1 0 359.901 3.814 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)ccc1C#N ZINC000440639588 947475084 /nfs/dbraw/zinc/47/50/84/947475084.db2.gz SRFHACVZMJGXTF-GOSISDBHSA-N 1 0 366.461 3.580 20 30 FHEDRO CC[N@H+](C)C[C@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440645996 947493165 /nfs/dbraw/zinc/49/31/65/947493165.db2.gz GHNZHASCNGYOIW-CYBMUJFWSA-N 1 0 373.298 3.647 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189144675 947620079 /nfs/dbraw/zinc/62/00/79/947620079.db2.gz WXFRXJWLTONXJY-VQIMIIECSA-N 1 0 362.539 3.542 20 30 FHEDRO C=C[C@@](C)(CC)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000188486788 947638167 /nfs/dbraw/zinc/63/81/67/947638167.db2.gz QVCBUOHIZBHDSM-QFIPXVFZSA-N 1 0 358.526 3.776 20 30 FHEDRO CC[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(C#N)cc1 ZINC000278860837 947640818 /nfs/dbraw/zinc/64/08/18/947640818.db2.gz WGODVVNMSJFKKF-LEWJYISDSA-N 1 0 362.477 3.571 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000523927520 947735273 /nfs/dbraw/zinc/73/52/73/947735273.db2.gz DFTIQPGLNRMGSS-GOSISDBHSA-N 1 0 360.502 3.833 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000189631812 947788243 /nfs/dbraw/zinc/78/82/43/947788243.db2.gz VZOPPUGTYHLHEK-MAUKXSAKSA-N 1 0 373.415 3.833 20 30 FHEDRO CC/C(=C/C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000728862603 947801806 /nfs/dbraw/zinc/80/18/06/947801806.db2.gz BSASMZQOTXZCBJ-PGMHBOJBSA-N 1 0 361.489 3.942 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)CCC[NH2+]1 ZINC000662483924 947853624 /nfs/dbraw/zinc/85/36/24/947853624.db2.gz ZYLMBLZOSQBFTA-GOSISDBHSA-N 1 0 361.442 3.595 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)CCC[NH2+]1 ZINC000662519063 947889440 /nfs/dbraw/zinc/88/94/40/947889440.db2.gz WZSWURNDLGLJTG-JOCHJYFZSA-N 1 0 363.461 3.884 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000441482545 947898484 /nfs/dbraw/zinc/89/84/84/947898484.db2.gz DGVMCOMKESENGC-FXAWDEMLSA-N 1 0 355.482 3.596 20 30 FHEDRO C=CC[C@@]1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)CCC[NH2+]1 ZINC000662573333 947909662 /nfs/dbraw/zinc/90/96/62/947909662.db2.gz SNEJTWJHHFTEFW-SFHVURJKSA-N 1 0 352.400 3.552 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)CCC[NH2+]1 ZINC000662683458 947978790 /nfs/dbraw/zinc/97/87/90/947978790.db2.gz OIXRVMYXRJMMRE-NRFANRHFSA-N 1 0 367.449 3.828 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](O)Cc3ccccc3)c2)c1 ZINC000105493265 948045150 /nfs/dbraw/zinc/04/51/50/948045150.db2.gz KZJHCHCAOPUAIU-HSZRJFAPSA-N 1 0 372.468 3.830 20 30 FHEDRO COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000066971938 948108111 /nfs/dbraw/zinc/10/81/11/948108111.db2.gz XISSXJPRDNQFSP-UHFFFAOYSA-N 1 0 359.429 3.831 20 30 FHEDRO CC(C)N1CC[C@@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180750739 948113080 /nfs/dbraw/zinc/11/30/80/948113080.db2.gz YXCXHQGJMDKPNL-CVEARBPZSA-N 1 0 351.853 3.669 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cn2)c1 ZINC000585696996 948164346 /nfs/dbraw/zinc/16/43/46/948164346.db2.gz GLCJLVNNASWJDK-UHFFFAOYSA-N 1 0 355.357 3.646 20 30 FHEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441521154 948198047 /nfs/dbraw/zinc/19/80/47/948198047.db2.gz CTLJSKVQAVNIDG-LJQANCHMSA-N 1 0 374.444 3.824 20 30 FHEDRO C[C@H]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000520533996 948241547 /nfs/dbraw/zinc/24/15/47/948241547.db2.gz QXDDETOHGRXLTO-RXVVDRJESA-N 1 0 368.525 3.602 20 30 FHEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000184707826 948244876 /nfs/dbraw/zinc/24/48/76/948244876.db2.gz ZTNMWNRNMYCPMK-APWZRJJASA-N 1 0 365.481 3.631 20 30 FHEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000467771353 948246897 /nfs/dbraw/zinc/24/68/97/948246897.db2.gz QALDOKBWKNQQOU-UHFFFAOYSA-N 1 0 367.415 3.516 20 30 FHEDRO Cc1ccc(C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C2CC2)cc1 ZINC000585794445 948300327 /nfs/dbraw/zinc/30/03/27/948300327.db2.gz WDMIEVAPNJXPRX-JOCHJYFZSA-N 1 0 360.505 3.841 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3Cc3ccccc3)CC2)nc1 ZINC000585794057 948301292 /nfs/dbraw/zinc/30/12/92/948301292.db2.gz AARKNTZPERVZKN-RBBKRZOGSA-N 1 0 360.505 3.923 20 30 FHEDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135224775 948397877 /nfs/dbraw/zinc/39/78/77/948397877.db2.gz HDLNKGTUQJGPTP-KRWDZBQOSA-N 1 0 355.526 3.862 20 30 FHEDRO COc1cccc(C(=O)N2CCC(NC3(C#N)CCCCCC3)CC2)c1 ZINC001167849931 948538340 /nfs/dbraw/zinc/53/83/40/948538340.db2.gz KFALJQOEJKEIBN-UHFFFAOYSA-N 1 0 355.482 3.506 20 30 FHEDRO COc1ccc(CCC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1OC ZINC000237220329 948564282 /nfs/dbraw/zinc/56/42/82/948564282.db2.gz ZXMAABQVCLAGGR-INIZCTEOSA-N 1 0 354.450 3.717 20 30 FHEDRO C[N@H+](CCCOc1cccc(C#N)c1)CCc1nc(-c2ccccc2)no1 ZINC000512176541 948661985 /nfs/dbraw/zinc/66/19/85/948661985.db2.gz AOICCLASDOPXLN-UHFFFAOYSA-N 1 0 362.433 3.552 20 30 FHEDRO Cc1cccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000459186577 948755955 /nfs/dbraw/zinc/75/59/55/948755955.db2.gz BXQJWUVFBLNDGV-GOSISDBHSA-N 1 0 364.493 3.701 20 30 FHEDRO CCC[N@H+](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000520737842 948803327 /nfs/dbraw/zinc/80/33/27/948803327.db2.gz UMSAWOVIHOKUAU-UHFFFAOYSA-N 1 0 353.422 3.639 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000045789714 208339030 /nfs/dbraw/zinc/33/90/30/208339030.db2.gz OBQVYBLIYRCMCL-UHFFFAOYSA-N 1 0 364.493 3.740 20 30 FHEDRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(C#N)cc1 ZINC000047052357 208372024 /nfs/dbraw/zinc/37/20/24/208372024.db2.gz GDWRCSACKIPZIU-GOSISDBHSA-N 1 0 368.525 3.917 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967583 567889500 /nfs/dbraw/zinc/88/95/00/567889500.db2.gz HHXPESBHEUWVRC-NXEZZACHSA-N 1 0 355.269 3.821 20 30 FHEDRO N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000150812417 567926334 /nfs/dbraw/zinc/92/63/34/567926334.db2.gz CTUREMSGHMRRQM-HXUWFJFHSA-N 1 0 369.509 3.584 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000481459522 567956219 /nfs/dbraw/zinc/95/62/19/567956219.db2.gz MPNKZUOGUAAJNO-MOPGFXCFSA-N 1 0 370.541 3.846 20 30 FHEDRO C[NH+](C)C[C@H](NC(=O)NCCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602245972 567959203 /nfs/dbraw/zinc/95/92/03/567959203.db2.gz CKRUCFWSJBBDOG-HNNXBMFYSA-N 1 0 357.285 3.589 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000602519203 567986919 /nfs/dbraw/zinc/98/69/19/567986919.db2.gz VFEYTHPUAYMMSD-LBPRGKRZSA-N 1 0 355.251 3.777 20 30 FHEDRO COc1cccc([C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N2CCCC2)c1 ZINC000602505251 567988650 /nfs/dbraw/zinc/98/86/50/567988650.db2.gz YFBCGWPTTGDGBO-NQIIRXRSSA-N 1 0 371.525 3.521 20 30 FHEDRO Cc1ccc([C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N2CCCC2)cc1 ZINC000602532107 567988819 /nfs/dbraw/zinc/98/88/19/567988819.db2.gz KCJSWJSYJMGWRW-FPOVZHCZSA-N 1 0 355.526 3.821 20 30 FHEDRO N#Cc1cccc(C[NH2+]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)n1 ZINC000602508962 567988940 /nfs/dbraw/zinc/98/89/40/567988940.db2.gz CTTZZZYKZITQEI-NXEZZACHSA-N 1 0 351.294 3.952 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000602549466 567990466 /nfs/dbraw/zinc/99/04/66/567990466.db2.gz CNTSQBJKOSXOLW-OALUTQOASA-N 1 0 355.526 3.901 20 30 FHEDRO N#CC1CCC([NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)CC1 ZINC000602550661 567990704 /nfs/dbraw/zinc/99/07/04/567990704.db2.gz MCGLHUNLSWZQKY-KITAHSCOSA-N 1 0 361.489 3.586 20 30 FHEDRO CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000602535688 567992244 /nfs/dbraw/zinc/99/22/44/567992244.db2.gz XMSPRUNMSSYCLW-INIZCTEOSA-N 1 0 355.404 3.711 20 30 FHEDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)CC2(C#N)CCOCC2)n(-c2ccccc2)n1 ZINC000602583863 567994127 /nfs/dbraw/zinc/99/41/27/567994127.db2.gz ZYOWEPCUIVPRQP-HKUYNNGSSA-N 1 0 366.509 3.800 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000602587437 567994439 /nfs/dbraw/zinc/99/44/39/567994439.db2.gz GTQNOLMLHSCZLJ-OXJNMPFZSA-N 1 0 356.491 3.709 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000602598129 568000003 /nfs/dbraw/zinc/00/00/03/568000003.db2.gz BTLSQYUYUGPIPO-GJZGRUSLSA-N 1 0 365.880 3.746 20 30 FHEDRO CC1=Nc2ccccc2C12CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000602858902 568003042 /nfs/dbraw/zinc/00/30/42/568003042.db2.gz COGHIIWHQNIFHI-KKSFZXQISA-N 1 0 366.509 3.569 20 30 FHEDRO CN1CC[C@@H]([NH2+]CC2(CC#N)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000602641845 568003109 /nfs/dbraw/zinc/00/31/09/568003109.db2.gz FTXGWNTVXXDJDR-SJORKVTESA-N 1 0 362.315 3.868 20 30 FHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000481502723 568005470 /nfs/dbraw/zinc/00/54/70/568005470.db2.gz CDVSOYSSSCYYMJ-UHFFFAOYSA-N 1 0 362.477 3.781 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000602705860 568018067 /nfs/dbraw/zinc/01/80/67/568018067.db2.gz NFTTWHMVHMOLGB-IRXDYDNUSA-N 1 0 361.917 3.855 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000602723977 568023513 /nfs/dbraw/zinc/02/35/13/568023513.db2.gz FJGCHWIBDRQXHM-NSHDSACASA-N 1 0 373.241 3.916 20 30 FHEDRO CCC[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CC[N@@H+]1CCOC ZINC000568336820 568026156 /nfs/dbraw/zinc/02/61/56/568026156.db2.gz GFYMNHWCHGIIRT-QGZVFWFLSA-N 1 0 369.431 3.510 20 30 FHEDRO Cc1ncc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)s1 ZINC000602953638 568028434 /nfs/dbraw/zinc/02/84/34/568028434.db2.gz AFEQUBLQVNEBJA-OLZOCXBDSA-N 1 0 374.535 3.993 20 30 FHEDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)s1 ZINC000602956240 568029155 /nfs/dbraw/zinc/02/91/55/568029155.db2.gz NBWVBUKPIFBFEP-GFCCVEGCSA-N 1 0 362.886 3.702 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000568418156 568032199 /nfs/dbraw/zinc/03/21/99/568032199.db2.gz KBKNHEZQPALJAD-SFHVURJKSA-N 1 0 356.857 3.945 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[C@H]1C#N ZINC000602976059 568036069 /nfs/dbraw/zinc/03/60/69/568036069.db2.gz KJVXKFDJSPRXGN-XHDPSFHLSA-N 1 0 368.250 3.541 20 30 FHEDRO CCc1nnc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c(C#N)c1CC ZINC000568497775 568037377 /nfs/dbraw/zinc/03/73/77/568037377.db2.gz NZFBPVRJYRBTHN-GOSISDBHSA-N 1 0 351.454 3.602 20 30 FHEDRO Cc1cc(C#N)cc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000568597456 568074695 /nfs/dbraw/zinc/07/46/95/568074695.db2.gz DCWSPJJCPCYIOI-LEWJYISDSA-N 1 0 374.488 3.853 20 30 FHEDRO Cc1cc(C#N)cc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000568597460 568074704 /nfs/dbraw/zinc/07/47/04/568074704.db2.gz DCWSPJJCPCYIOI-RTWAWAEBSA-N 1 0 374.488 3.853 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000481656441 568081460 /nfs/dbraw/zinc/08/14/60/568081460.db2.gz XXCAZPYFZWHFHZ-FQEVSTJZSA-N 1 0 372.465 3.528 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[NH+](C)C)cc1 ZINC000481656054 568082191 /nfs/dbraw/zinc/08/21/91/568082191.db2.gz JMLRQMOPMLSLCX-IBGZPJMESA-N 1 0 354.429 3.684 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000481712341 568090443 /nfs/dbraw/zinc/09/04/43/568090443.db2.gz MKRSCHPSLBAJJM-LJQANCHMSA-N 1 0 368.456 3.772 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)cc1OC ZINC000603519001 568109207 /nfs/dbraw/zinc/10/92/07/568109207.db2.gz UOYMMLFPUNCEED-KRWDZBQOSA-N 1 0 355.434 3.882 20 30 FHEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603843107 568155333 /nfs/dbraw/zinc/15/53/33/568155333.db2.gz ZRWDLWHBKBVAMM-KNQAVFIVSA-N 1 0 350.462 3.638 20 30 FHEDRO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000603853667 568167267 /nfs/dbraw/zinc/16/72/67/568167267.db2.gz KUVFGNMPISVYMM-KNQAVFIVSA-N 1 0 353.510 3.929 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000481918630 568183221 /nfs/dbraw/zinc/18/32/21/568183221.db2.gz IAXWTIBQPHRYRT-IERDGZPVSA-N 1 0 372.415 3.633 20 30 FHEDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)c(C)c1 ZINC000604081574 568209081 /nfs/dbraw/zinc/20/90/81/568209081.db2.gz XFQGREGUJUNXEC-UYAOXDASSA-N 1 0 352.478 3.802 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000568806699 568229149 /nfs/dbraw/zinc/22/91/49/568229149.db2.gz JTTBWYFCUGRDPH-NHCUHLMSSA-N 1 0 374.488 3.853 20 30 FHEDRO CN(C)c1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)[nH+]1 ZINC000541945085 568272724 /nfs/dbraw/zinc/27/27/24/568272724.db2.gz SKHUGWKUYLCCQX-UHFFFAOYSA-N 1 0 358.445 3.632 20 30 FHEDRO N#Cc1csc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000506433222 568288269 /nfs/dbraw/zinc/28/82/69/568288269.db2.gz PQDATZCVESSZFL-UHFFFAOYSA-N 1 0 351.397 3.961 20 30 FHEDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604503377 568302133 /nfs/dbraw/zinc/30/21/33/568302133.db2.gz IRKMBJPVNKQRID-IRLDBZIGSA-N 1 0 352.478 3.966 20 30 FHEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)o1 ZINC000604506124 568303402 /nfs/dbraw/zinc/30/34/02/568303402.db2.gz DHLCZBSCLGMNQS-UHFFFAOYSA-N 1 0 364.496 3.754 20 30 FHEDRO CC(C)N(CC[NH+](C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000152010640 568306955 /nfs/dbraw/zinc/30/69/55/568306955.db2.gz RPXLZOYLNHCFQK-UHFFFAOYSA-N 1 0 351.450 3.763 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)C(C)C ZINC000604746791 568356387 /nfs/dbraw/zinc/35/63/87/568356387.db2.gz ITBQISQEIKWIDQ-TXPKVOOTSA-N 1 0 362.464 3.883 20 30 FHEDRO COC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000569704445 568413045 /nfs/dbraw/zinc/41/30/45/568413045.db2.gz OWVCZDZLARRTDI-NRFANRHFSA-N 1 0 353.441 3.643 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1-c1nc([C@@H]2CN(C3CC3)CCO2)no1 ZINC000570024238 568441778 /nfs/dbraw/zinc/44/17/78/568441778.db2.gz ZNLIUGWOUKTNCI-HNNXBMFYSA-N 1 0 366.446 3.667 20 30 FHEDRO C[NH+](C)CCN(Cc1conc1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000569949919 568444142 /nfs/dbraw/zinc/44/41/42/568444142.db2.gz MTPYTLNFPHRVNZ-UHFFFAOYSA-N 1 0 374.488 3.701 20 30 FHEDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCC(=O)Nc3ccc(C#N)cc3)nc2c1 ZINC000570318108 568467832 /nfs/dbraw/zinc/46/78/32/568467832.db2.gz BKNKUGUPMNXUIC-HXUWFJFHSA-N 1 0 373.460 3.909 20 30 FHEDRO C=CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605168057 568596041 /nfs/dbraw/zinc/59/60/41/568596041.db2.gz SFZSQGWDHQWGPW-GDBMZVCRSA-N 1 0 355.404 3.574 20 30 FHEDRO N#Cc1c(C#N)c(N2CC[C@@H]([NH+]3CCCCC3)C2)nc2c1CCCCCC2 ZINC000408327257 568688204 /nfs/dbraw/zinc/68/82/04/568688204.db2.gz AVRVVFMQCGNSSF-QGZVFWFLSA-N 1 0 363.509 3.549 20 30 FHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cc(C#N)ccc1OC ZINC000050107855 568725538 /nfs/dbraw/zinc/72/55/38/568725538.db2.gz AWFQTHPULDRXBN-UHFFFAOYSA-N 1 0 366.465 3.730 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC)c1ccsc1 ZINC000050108223 568727739 /nfs/dbraw/zinc/72/77/39/568727739.db2.gz KXJMTODCJZSYJP-QGZVFWFLSA-N 1 0 372.494 3.833 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000819758674 599395717 /nfs/dbraw/zinc/39/57/17/599395717.db2.gz FLGSEWZHGXOUHN-CYBMUJFWSA-N 1 0 369.856 3.936 20 30 FHEDRO N#CCC[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826381287 608525096 /nfs/dbraw/zinc/52/50/96/608525096.db2.gz FYBVWKJUPKLJSU-PMACEKPBSA-N 1 0 358.449 3.879 20 30 FHEDRO N#Cc1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164627292 719058088 /nfs/dbraw/zinc/05/80/88/719058088.db2.gz QKYHWXQRQAGPLK-PKOBYXMFSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1c2c(cnc1N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC001164628571 719112341 /nfs/dbraw/zinc/11/23/41/719112341.db2.gz NOMIRIUMYGQICH-NFBKMPQASA-N 1 0 372.516 3.933 20 30 FHEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725941 720385732 /nfs/dbraw/zinc/38/57/32/720385732.db2.gz OGLHBCGCGNGSPZ-HZPDHXFCSA-N 1 0 374.275 3.508 20 30 FHEDRO Cc1ccc(C#N)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993945 722195912 /nfs/dbraw/zinc/19/59/12/722195912.db2.gz JSFHLQSQEAPGOC-NRFANRHFSA-N 1 0 350.441 3.646 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C(C)C ZINC000582981345 936341308 /nfs/dbraw/zinc/34/13/08/936341308.db2.gz FULHYJKSLUTEOL-CQSZACIVSA-N 1 0 361.471 3.710 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc4cccnc4o3)C2)c(F)c1 ZINC000583005228 936365900 /nfs/dbraw/zinc/36/59/00/936365900.db2.gz UOGRODYGIQLVEA-MRXNPFEDSA-N 1 0 350.397 3.597 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1[nH]c(=O)c2ccccc2c1C)C(C)C ZINC000654781650 927312010 /nfs/dbraw/zinc/31/20/10/927312010.db2.gz LXLBZIPILLRELB-LJQANCHMSA-N 1 0 367.493 3.677 20 30 FHEDRO CC1(C)CCc2cc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc2O1 ZINC000430179565 927582240 /nfs/dbraw/zinc/58/22/40/927582240.db2.gz PDKIUFIHXZAAKH-IBGZPJMESA-N 1 0 363.461 3.710 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000186973129 927688376 /nfs/dbraw/zinc/68/83/76/927688376.db2.gz FHEBRTRLFGNQOX-QUCCMNQESA-N 1 0 365.521 3.703 20 30 FHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1-n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001167059634 927752636 /nfs/dbraw/zinc/75/26/36/927752636.db2.gz GKEZUKSJMHBUOL-NSHDSACASA-N 1 0 355.804 3.552 20 30 FHEDRO Cc1cccc2nc(Cl)c(C#N)c(-n3ccnc3[C@@H]3CCC[NH2+]C3)c12 ZINC001167059666 927754138 /nfs/dbraw/zinc/75/41/38/927754138.db2.gz HCRGSKWPCQHILE-CYBMUJFWSA-N 1 0 351.841 3.721 20 30 FHEDRO Cc1nc(N2CC3(CC[NH2+]CC3)c3ccccc32)c(C#N)c(C)c1Cl ZINC001167071881 928250934 /nfs/dbraw/zinc/25/09/34/928250934.db2.gz PYKBMNVOAQKQPT-UHFFFAOYSA-N 1 0 352.869 3.996 20 30 FHEDRO COc1sc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1Br ZINC000583233148 937264340 /nfs/dbraw/zinc/26/43/40/937264340.db2.gz WASOVVHEWHETSD-UHFFFAOYSA-N 1 0 367.268 3.689 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2N2CCCCC2)CC1 ZINC000182722154 928670737 /nfs/dbraw/zinc/67/07/37/928670737.db2.gz VLJPQCJTMVEZTO-UHFFFAOYSA-N 1 0 370.541 3.517 20 30 FHEDRO C[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@@H+]1CCc2sccc2C1 ZINC000120529483 928786412 /nfs/dbraw/zinc/78/64/12/928786412.db2.gz ONIYJCUJPALYST-OMBDHMDGSA-N 1 0 351.475 3.868 20 30 FHEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278157137 937278304 /nfs/dbraw/zinc/27/83/04/937278304.db2.gz AZCPBTCYPGLMMN-YWZLYKJASA-N 1 0 371.506 3.610 20 30 FHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000510130283 928897782 /nfs/dbraw/zinc/89/77/82/928897782.db2.gz CIFCRHXUSISKSN-CQSZACIVSA-N 1 0 355.360 3.660 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)CC1 ZINC000179807447 929068745 /nfs/dbraw/zinc/06/87/45/929068745.db2.gz ORHKGHBFGIRSRC-ICSRJNTNSA-N 1 0 350.547 3.909 20 30 FHEDRO N#CCCN(Cc1ccccn1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413370407 929137330 /nfs/dbraw/zinc/13/73/30/929137330.db2.gz ZQELDHXGWGGWJC-UHFFFAOYSA-N 1 0 362.477 3.624 20 30 FHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1c(F)cc(C#N)cc1F ZINC000154781484 929276951 /nfs/dbraw/zinc/27/69/51/929276951.db2.gz PCJUJUBJAMRPOI-KXBFYZLASA-N 1 0 367.399 3.593 20 30 FHEDRO CCc1cc[n+](C(C(=O)c2nccs2)C(=S)NC(C)(C)CC)cc1 ZINC000278181957 937318431 /nfs/dbraw/zinc/31/84/31/937318431.db2.gz FGDCVTPXZLIZJP-UHFFFAOYSA-O 1 0 362.544 3.710 20 30 FHEDRO C=CCC[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000180035455 929326931 /nfs/dbraw/zinc/32/69/31/929326931.db2.gz SVSBSOLXBONROZ-VQTJNVASSA-N 1 0 350.462 3.924 20 30 FHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000583290141 937323394 /nfs/dbraw/zinc/32/33/94/937323394.db2.gz KNQVIUARLMTLGY-UHFFFAOYSA-N 1 0 374.444 3.789 20 30 FHEDRO N#Cc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2n1 ZINC000610245011 929534301 /nfs/dbraw/zinc/53/43/01/929534301.db2.gz XOOSSSLMHZKVEG-RMKNXTFCSA-N 1 0 354.457 3.942 20 30 FHEDRO CCC(CC)(CC)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000471239654 929560489 /nfs/dbraw/zinc/56/04/89/929560489.db2.gz WLWRNMRNFAQKDJ-UHFFFAOYSA-N 1 0 354.416 3.732 20 30 FHEDRO C=CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000150901252 937345670 /nfs/dbraw/zinc/34/56/70/937345670.db2.gz BHWOMOYGGNZDEF-UHFFFAOYSA-N 1 0 371.525 3.542 20 30 FHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccccc3Br)CC2)c1 ZINC000560174096 929633987 /nfs/dbraw/zinc/63/39/87/929633987.db2.gz HYLYWLNJDJJLIS-UHFFFAOYSA-N 1 0 370.250 3.538 20 30 FHEDRO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000579970032 929688431 /nfs/dbraw/zinc/68/84/31/929688431.db2.gz XKZZKVJEYPIPNF-RBUKOAKNSA-N 1 0 362.477 3.515 20 30 FHEDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000023677894 929693196 /nfs/dbraw/zinc/69/31/96/929693196.db2.gz WBTGDDZGVMDSRM-UYAOXDASSA-N 1 0 358.869 3.887 20 30 FHEDRO Cc1cc([C@H]([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C2CC2)ccc1F ZINC000578964173 929755581 /nfs/dbraw/zinc/75/55/81/929755581.db2.gz VEZZSUDSHZOFAQ-QZTJIDSGSA-N 1 0 369.465 3.914 20 30 FHEDRO COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1Cl ZINC000412041507 929758853 /nfs/dbraw/zinc/75/88/53/929758853.db2.gz MZJOFZIJZVTPDB-ZDUSSCGKSA-N 1 0 357.841 3.679 20 30 FHEDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728268140 929827291 /nfs/dbraw/zinc/82/72/91/929827291.db2.gz KKPSMHXMKAYEHD-UHFFFAOYSA-N 1 0 364.493 3.570 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@H]([S@](=O)CC)C2)c(O)c1 ZINC000255138335 929925367 /nfs/dbraw/zinc/92/53/67/929925367.db2.gz DMODYGNBNOFCLO-SFTSXPTPSA-N 1 0 350.528 3.737 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000610322090 929925993 /nfs/dbraw/zinc/92/59/93/929925993.db2.gz NGJTWOAGLIRXDE-LAUBAEHRSA-N 1 0 362.477 3.535 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)cc1 ZINC000047509960 929942925 /nfs/dbraw/zinc/94/29/25/929942925.db2.gz NCOFWKVEPDYFSN-UHFFFAOYSA-N 1 0 360.383 3.684 20 30 FHEDRO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(C#N)c3)C2=O)c1 ZINC000610346196 930046897 /nfs/dbraw/zinc/04/68/97/930046897.db2.gz NTMBOKDSQCEKJP-KXBFYZLASA-N 1 0 351.425 3.852 20 30 FHEDRO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(C#N)c1 ZINC000610347792 930057352 /nfs/dbraw/zinc/05/73/52/930057352.db2.gz XXNBGAJTWZGRMY-QGZVFWFLSA-N 1 0 362.477 3.714 20 30 FHEDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(C#N)c1 ZINC000610351040 930076111 /nfs/dbraw/zinc/07/61/11/930076111.db2.gz IUFKDLFZEIXSPG-UTKZUKDTSA-N 1 0 368.525 3.963 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000610351860 930090306 /nfs/dbraw/zinc/09/03/06/930090306.db2.gz KSVWOBNROKTQFS-IRXDYDNUSA-N 1 0 356.514 3.819 20 30 FHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610370297 930170169 /nfs/dbraw/zinc/17/01/69/930170169.db2.gz JDRCNGVWNABFFS-YADHBBJMSA-N 1 0 366.505 3.754 20 30 FHEDRO CCc1cccc(NC(=O)C/[NH+]=C/c2ccc(N(CC)CC)cc2O)c1 ZINC000748147920 930237941 /nfs/dbraw/zinc/23/79/41/930237941.db2.gz KUJOEGIYXVONID-HYARGMPZSA-N 1 0 353.466 3.858 20 30 FHEDRO N#Cc1ccncc1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000091671911 937405128 /nfs/dbraw/zinc/40/51/28/937405128.db2.gz HRLDMFYEZKSXBK-UHFFFAOYSA-N 1 0 352.441 3.845 20 30 FHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(C#N)CCCCC3)cc2)C1 ZINC000610398943 930357088 /nfs/dbraw/zinc/35/70/88/930357088.db2.gz AMMVJRQCHFGPEU-KRWDZBQOSA-N 1 0 355.482 3.820 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000610400751 930372797 /nfs/dbraw/zinc/37/27/97/930372797.db2.gz QJMKEZPUKGBGFJ-FXAWDEMLSA-N 1 0 354.498 3.617 20 30 FHEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(OC(F)(F)F)nc3)sc2C1 ZINC001210819628 930375067 /nfs/dbraw/zinc/37/50/67/930375067.db2.gz IEEDOJMYGFAUPW-UHFFFAOYSA-N 1 0 354.357 3.645 20 30 FHEDRO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)sc1C ZINC000328711283 930500980 /nfs/dbraw/zinc/50/09/80/930500980.db2.gz NBIXMNOSUNHQCG-LKPRIIMKSA-N 1 0 365.543 3.998 20 30 FHEDRO C[C@H]1C[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000379681130 930530377 /nfs/dbraw/zinc/53/03/77/930530377.db2.gz PFPDYNSWICXLEA-KXBFYZLASA-N 1 0 350.422 3.931 20 30 FHEDRO C[C@@H]1C[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379677364 930530616 /nfs/dbraw/zinc/53/06/16/930530616.db2.gz CKDLFZFXSACPLA-CRAIPNDOSA-N 1 0 350.422 3.931 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCS1 ZINC000083415915 930538238 /nfs/dbraw/zinc/53/82/38/930538238.db2.gz MZJKHBMNPRVEFM-UHFFFAOYSA-N 1 0 363.552 3.655 20 30 FHEDRO C[C@H](CCNC(=O)c1cc2ccccc2n1CC#N)[N@H+](C)Cc1ccccc1 ZINC000610434543 930565147 /nfs/dbraw/zinc/56/51/47/930565147.db2.gz YVIPTAIPGIUKDA-GOSISDBHSA-N 1 0 374.488 3.805 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)ccc1OC ZINC000580381579 930600143 /nfs/dbraw/zinc/60/01/43/930600143.db2.gz LOXNRQMWMLJOSP-OFNKIYASSA-N 1 0 367.489 3.906 20 30 FHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1cccc(C#N)c1 ZINC000471573999 930633540 /nfs/dbraw/zinc/63/35/40/930633540.db2.gz LQGBCOOYSLNPKT-IAGOWNOFSA-N 1 0 362.477 3.836 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc32)c(OC)c1 ZINC000580460943 930701734 /nfs/dbraw/zinc/70/17/34/930701734.db2.gz VABIMKNBNHFTOY-UYAOXDASSA-N 1 0 371.452 3.580 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000580499148 930759124 /nfs/dbraw/zinc/75/91/24/930759124.db2.gz PXVBERXTKHHGTG-UHFFFAOYSA-N 1 0 369.896 3.710 20 30 FHEDRO C[N@H+](Cc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160541073 930846753 /nfs/dbraw/zinc/84/67/53/930846753.db2.gz CELDWBFIUVALLO-DFNIBXOVSA-N 1 0 355.482 3.921 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1 ZINC000580553642 930848594 /nfs/dbraw/zinc/84/85/94/930848594.db2.gz CPNWFVUYGPVNAB-OEMFJLHTSA-N 1 0 372.468 3.791 20 30 FHEDRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000145654443 930863304 /nfs/dbraw/zinc/86/33/04/930863304.db2.gz AARKXBNSLXPQIQ-JTHBVZDNSA-N 1 0 364.489 3.698 20 30 FHEDRO CC1(C)CC[N@H+](CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000561146668 930889034 /nfs/dbraw/zinc/88/90/34/930889034.db2.gz UDRYFRZXKJEEDN-UHFFFAOYSA-N 1 0 363.461 3.808 20 30 FHEDRO CN(C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000160598185 931011909 /nfs/dbraw/zinc/01/19/09/931011909.db2.gz RDFGHXRPPGCZFH-HNNXBMFYSA-N 1 0 366.387 3.615 20 30 FHEDRO C[C@H](C#N)C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000510342287 931091467 /nfs/dbraw/zinc/09/14/67/931091467.db2.gz NJHWJIGFFWCUHY-CQSZACIVSA-N 1 0 373.909 3.872 20 30 FHEDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000177855978 931349348 /nfs/dbraw/zinc/34/93/48/931349348.db2.gz GCCNLEUAATULOB-AWEZNQCLSA-N 1 0 373.859 3.878 20 30 FHEDRO N#Cc1cnccc1NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000548154021 931533419 /nfs/dbraw/zinc/53/34/19/931533419.db2.gz KHXLHRYQSBYDHV-HXUWFJFHSA-N 1 0 360.486 3.648 20 30 FHEDRO N#Cc1nnc2ccccc2c1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000077214119 931584792 /nfs/dbraw/zinc/58/47/92/931584792.db2.gz GKEMLCKQRPDYDU-OAHLLOKOSA-N 1 0 363.490 3.887 20 30 FHEDRO [NH2+]=C(NCc1cccc(-c2ccccn2)c1)N[C@H]1CCOc2ccccc21 ZINC000160787845 931626138 /nfs/dbraw/zinc/62/61/38/931626138.db2.gz XGGDPBDJVQHXRA-FQEVSTJZSA-N 1 0 358.445 3.677 20 30 FHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000581218865 931694236 /nfs/dbraw/zinc/69/42/36/931694236.db2.gz BIBCPYQMOPRAKM-VQTJNVASSA-N 1 0 365.525 3.679 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2c(C)cccc2OC(F)F)CC1 ZINC000069327925 931716320 /nfs/dbraw/zinc/71/63/20/931716320.db2.gz RTDITRFMTDUGBM-UHFFFAOYSA-N 1 0 353.413 3.758 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC000581357520 931895991 /nfs/dbraw/zinc/89/59/91/931895991.db2.gz FCCSGZUXRSDPHH-OXQOHEQNSA-N 1 0 362.433 3.566 20 30 FHEDRO C[NH+](C)CCc1ccc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000276172359 931981171 /nfs/dbraw/zinc/98/11/71/931981171.db2.gz UANMAOLVABIVEJ-NRFANRHFSA-N 1 0 364.493 3.635 20 30 FHEDRO COc1ccc2cc([C@H](C)C(=O)N(CCC#N)CCC[NH+](C)C)ccc2c1 ZINC000129020889 932012760 /nfs/dbraw/zinc/01/27/60/932012760.db2.gz ZFCFNMJEYXIZEM-KRWDZBQOSA-N 1 0 367.493 3.646 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000510446265 932434308 /nfs/dbraw/zinc/43/43/08/932434308.db2.gz WBDVHLYGLAZMEL-APWZRJJASA-N 1 0 366.465 3.657 20 30 FHEDRO N#Cc1ccc(CC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000178099343 932450284 /nfs/dbraw/zinc/45/02/84/932450284.db2.gz NTPHHGCGLDPKMV-UHFFFAOYSA-N 1 0 363.461 3.604 20 30 FHEDRO C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000187970081 932551411 /nfs/dbraw/zinc/55/14/11/932551411.db2.gz PTDJPFCLHNPEHL-BXWFABGCSA-N 1 0 373.497 3.885 20 30 FHEDRO Cc1cc(Cl)cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000477466658 932626298 /nfs/dbraw/zinc/62/62/98/932626298.db2.gz YQQDMGKEKXEKLT-UHFFFAOYSA-N 1 0 355.869 3.724 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(OC)cc2OC)ccc1OC ZINC000127283391 932631974 /nfs/dbraw/zinc/63/19/74/932631974.db2.gz AACKHSXULNTKGM-UHFFFAOYSA-N 1 0 357.450 3.957 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCOC1 ZINC000328818571 932681742 /nfs/dbraw/zinc/68/17/42/932681742.db2.gz OIIPIDZYAWTUPP-RDBSUJKOSA-N 1 0 361.511 3.880 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(C(=O)NC3CC3)CC2)cc1 ZINC000055913556 932737314 /nfs/dbraw/zinc/73/73/14/932737314.db2.gz PQAXQEOFVSZEBL-UHFFFAOYSA-N 1 0 359.473 3.716 20 30 FHEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000051262526 932761256 /nfs/dbraw/zinc/76/12/56/932761256.db2.gz FSHRYTDLUMCXPI-QGZVFWFLSA-N 1 0 355.507 3.764 20 30 FHEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000178178717 932761890 /nfs/dbraw/zinc/76/18/90/932761890.db2.gz BNTSPNYEJRHPNQ-JXFKEZNVSA-N 1 0 365.477 3.827 20 30 FHEDRO O=C(c1cccc(Cl)c1)C(C(=S)NCC(F)(F)F)[n+]1ccccc1 ZINC000101535171 932765739 /nfs/dbraw/zinc/76/57/39/932765739.db2.gz MJAJNPNWGXCHCK-UHFFFAOYSA-O 1 0 373.807 3.718 20 30 FHEDRO CC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000328842158 932894511 /nfs/dbraw/zinc/89/45/11/932894511.db2.gz VSQGNFPUIGEFCQ-NRFANRHFSA-N 1 0 371.525 3.776 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000471810094 932998693 /nfs/dbraw/zinc/99/86/93/932998693.db2.gz MYZFZMISPPFJAV-FXAWDEMLSA-N 1 0 359.489 3.802 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000101601241 933007086 /nfs/dbraw/zinc/00/70/86/933007086.db2.gz ZAOYTIJTSJKTFZ-UHFFFAOYSA-N 1 0 360.251 3.760 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\C2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC000255390318 933050035 /nfs/dbraw/zinc/05/00/35/933050035.db2.gz GQNGTLHNOXCYFG-JLPGSUDCSA-N 1 0 366.509 3.717 20 30 FHEDRO C[C@H](CCc1ccc(I)cc1)[NH2+]CC1(CC#N)CC1 ZINC000430737713 933189853 /nfs/dbraw/zinc/18/98/53/933189853.db2.gz XVPONBUEEYVHAW-CYBMUJFWSA-N 1 0 368.262 3.896 20 30 FHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c(F)cc(C#N)cc1F)[NH+](C)C ZINC000510551250 933216556 /nfs/dbraw/zinc/21/65/56/933216556.db2.gz ORQGMUMHXVNOJA-YJYMSZOUSA-N 1 0 357.404 3.566 20 30 FHEDRO CC(C)[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000510596029 933256397 /nfs/dbraw/zinc/25/63/97/933256397.db2.gz IRLOEJPOVMFZSV-NHCUHLMSSA-N 1 0 370.541 3.846 20 30 FHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000471866911 933265891 /nfs/dbraw/zinc/26/58/91/933265891.db2.gz YFBWXNZXBYORIS-UHFFFAOYSA-N 1 0 373.541 3.664 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430927922 933415511 /nfs/dbraw/zinc/41/55/11/933415511.db2.gz SAJLZPWPEGWVPH-CTNGQTDRSA-N 1 0 358.526 3.523 20 30 FHEDRO COC1CCN(c2ccc(C[N@H+](C)Cc3cc(C#N)cs3)cc2)CC1 ZINC000933772911 933501013 /nfs/dbraw/zinc/50/10/13/933501013.db2.gz XEXGJAUFRDMYDQ-UHFFFAOYSA-N 1 0 355.507 3.867 20 30 FHEDRO C[C@@H]1C[C@H](CCNC(=O)Nc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510719469 933517699 /nfs/dbraw/zinc/51/76/99/933517699.db2.gz KYNKTNBBBWYZKB-XLIONFOSSA-N 1 0 362.477 3.980 20 30 FHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610633487 933563656 /nfs/dbraw/zinc/56/36/56/933563656.db2.gz BCKXPKKUNDNASC-VQTJNVASSA-N 1 0 372.432 3.571 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000510742102 933628545 /nfs/dbraw/zinc/62/85/45/933628545.db2.gz WIOXIKYQYWGHGM-CYBMUJFWSA-N 1 0 368.399 3.650 20 30 FHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933846769 933706846 /nfs/dbraw/zinc/70/68/46/933706846.db2.gz ZAYFXJGBFHTAIN-UHFFFAOYSA-N 1 0 352.438 3.624 20 30 FHEDRO COc1ccccc1-c1nc(C2CC[NH+](CCC(C)(C)C#N)CC2)no1 ZINC000276843557 933772929 /nfs/dbraw/zinc/77/29/29/933772929.db2.gz SLMSIAAHOXIURB-UHFFFAOYSA-N 1 0 354.454 3.864 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000510861415 933882929 /nfs/dbraw/zinc/88/29/29/933882929.db2.gz YPVCWFDHYIPPFK-UHFFFAOYSA-N 1 0 370.541 3.990 20 30 FHEDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000891918232 934033292 /nfs/dbraw/zinc/03/32/92/934033292.db2.gz UZFCNIDJVQBJGK-NQIIRXRSSA-N 1 0 356.514 3.828 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000891919636 934036690 /nfs/dbraw/zinc/03/66/90/934036690.db2.gz ZHAGOOYUZMUCBE-TZIWHRDSSA-N 1 0 354.498 3.597 20 30 FHEDRO COc1cccc(/C=N/C[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1O ZINC000022769452 934356147 /nfs/dbraw/zinc/35/61/47/934356147.db2.gz ALFRYKCINRFVMQ-OVBDPADQSA-N 1 0 354.450 3.665 20 30 FHEDRO N#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458191194 934363441 /nfs/dbraw/zinc/36/34/41/934363441.db2.gz KDLXRPYXBQUUGS-LEWJYISDSA-N 1 0 365.452 3.604 20 30 FHEDRO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(C#N)cn3)CC1)CCC2 ZINC000610809483 934450915 /nfs/dbraw/zinc/45/09/15/934450915.db2.gz CUJUIQJUBIDPBT-NRFANRHFSA-N 1 0 362.477 3.598 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277095035 934487900 /nfs/dbraw/zinc/48/79/00/934487900.db2.gz OGJXRCIDVZNPRK-HOTGVXAUSA-N 1 0 360.527 3.886 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277095040 934488203 /nfs/dbraw/zinc/48/82/03/934488203.db2.gz OGJXRCIDVZNPRK-JKSUJKDBSA-N 1 0 360.527 3.886 20 30 FHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000610830020 934502803 /nfs/dbraw/zinc/50/28/03/934502803.db2.gz YACHQZCVVHSRBL-GJZGRUSLSA-N 1 0 367.449 3.643 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(OC)CCC2)cc1OC ZINC000181082004 934527577 /nfs/dbraw/zinc/52/75/77/934527577.db2.gz DZLQESVLYSSJNR-UHFFFAOYSA-N 1 0 370.287 3.681 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000156599749 934553128 /nfs/dbraw/zinc/55/31/28/934553128.db2.gz PFVFCFCQCWWVIK-KDOFPFPSSA-N 1 0 358.873 3.692 20 30 FHEDRO Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)ccc1C[NH+](C)C ZINC000458268293 934571736 /nfs/dbraw/zinc/57/17/36/934571736.db2.gz GFQRYUYTJCSWOE-UHFFFAOYSA-N 1 0 351.450 3.724 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000176230035 934644638 /nfs/dbraw/zinc/64/46/38/934644638.db2.gz QHZCYYDNOYFIIW-UHFFFAOYSA-N 1 0 372.465 3.530 20 30 FHEDRO C[C@@H](c1ccccc1)[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CC1 ZINC000610968453 934663317 /nfs/dbraw/zinc/66/33/17/934663317.db2.gz WAINMUPNMAPJIN-LAUBAEHRSA-N 1 0 350.462 3.718 20 30 FHEDRO C=C(C)[C@@H](CC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1)OCC ZINC000535879229 934686856 /nfs/dbraw/zinc/68/68/56/934686856.db2.gz CVGKGYTUWCCURC-PZJWPPBQSA-N 1 0 374.525 3.710 20 30 FHEDRO C=C(C)[C@@H](CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)OCC ZINC000535883999 934702791 /nfs/dbraw/zinc/70/27/91/934702791.db2.gz ZBNUDVCOHQDLAR-OAQYLSRUSA-N 1 0 358.526 3.728 20 30 FHEDRO C=CCSCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000236628768 934755304 /nfs/dbraw/zinc/75/53/04/934755304.db2.gz OLLQOJLDEFGJQK-UHFFFAOYSA-N 1 0 352.301 3.848 20 30 FHEDRO C#CCOc1ccc(C[NH2+]Cc2cc3c(cc2OCC)C[C@H](C)O3)cc1 ZINC000236873990 934847479 /nfs/dbraw/zinc/84/74/79/934847479.db2.gz VGQVWGWTLYAVIG-INIZCTEOSA-N 1 0 351.446 3.711 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000511001924 934850305 /nfs/dbraw/zinc/85/03/05/934850305.db2.gz SHMBZZRBECUVRA-JXFKEZNVSA-N 1 0 365.452 3.582 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC000329022385 934873880 /nfs/dbraw/zinc/87/38/80/934873880.db2.gz UBELTRNFOAHCNB-IEBWSBKVSA-N 1 0 357.498 3.571 20 30 FHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCCO[C@@H](C)c2ccccc2)c1 ZINC000104157778 935003950 /nfs/dbraw/zinc/00/39/50/935003950.db2.gz PPCDEWQBFJGKNQ-HNNXBMFYSA-N 1 0 357.454 3.598 20 30 FHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3cccc(F)c3C#N)cc2)C[C@H](C)O1 ZINC000071952649 935065745 /nfs/dbraw/zinc/06/57/45/935065745.db2.gz RKKUUUAGLWDUOB-HOTGVXAUSA-N 1 0 353.441 3.919 20 30 FHEDRO Cc1cc(C)c(C#N)c(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000071952652 935066048 /nfs/dbraw/zinc/06/60/48/935066048.db2.gz AEDQZESJKILIKB-QZTJIDSGSA-N 1 0 364.493 3.791 20 30 FHEDRO C=CCCn1cc(CNCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000657313190 935115808 /nfs/dbraw/zinc/11/58/08/935115808.db2.gz PMKUWGBXAJKXHJ-KDURUIRLSA-N 1 0 367.541 3.622 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1Cl ZINC000051376707 935135659 /nfs/dbraw/zinc/13/56/59/935135659.db2.gz MHURIHCYFQVFIR-UHFFFAOYSA-N 1 0 356.857 3.807 20 30 FHEDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)C12CCCCC2 ZINC001167538305 935150125 /nfs/dbraw/zinc/15/01/25/935150125.db2.gz BDVKZHQHSBVTTL-OALUTQOASA-N 1 0 355.482 3.556 20 30 FHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCCN2C2CC2)c(-c2ccccc2)n1 ZINC000277447593 935189974 /nfs/dbraw/zinc/18/99/74/935189974.db2.gz FXZPSDOMIXEXFM-OAQYLSRUSA-N 1 0 363.509 3.570 20 30 FHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cn2ccccc2n1 ZINC000551288112 935240468 /nfs/dbraw/zinc/24/04/68/935240468.db2.gz JATGFLUOWKMFTR-FAEJEUNOSA-N 1 0 361.449 3.642 20 30 FHEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051425950 935246881 /nfs/dbraw/zinc/24/68/81/935246881.db2.gz CWDATJZVTLWQCF-RDJZCZTQSA-N 1 0 358.869 3.839 20 30 FHEDRO N#CC1CCC(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000582117972 935303099 /nfs/dbraw/zinc/30/30/99/935303099.db2.gz QWFVUZKLZZWTKJ-PIMMBPRGSA-N 1 0 357.281 3.653 20 30 FHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000551548600 935305661 /nfs/dbraw/zinc/30/56/61/935305661.db2.gz ZLZRCNSIBMIFBE-MRXNPFEDSA-N 1 0 355.507 3.885 20 30 FHEDRO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000519598094 945092535 /nfs/dbraw/zinc/09/25/35/945092535.db2.gz SFBVXQXTYAPDPV-HRAATJIYSA-N 1 0 366.461 3.580 20 30 FHEDRO C[NH+](C)C1(CNC(=O)N[C@@H](CCC#N)c2ccccc2)CCCCCC1 ZINC000438837985 945097889 /nfs/dbraw/zinc/09/78/89/945097889.db2.gz JLJPBCOTRCNUSS-IBGZPJMESA-N 1 0 356.514 3.985 20 30 FHEDRO CCC[N@H+](CC)CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000472215116 935520478 /nfs/dbraw/zinc/52/04/78/935520478.db2.gz BCKVIMCURRGLNZ-UHFFFAOYSA-N 1 0 365.477 3.599 20 30 FHEDRO C[C@H]([NH3+])CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414899320 945106639 /nfs/dbraw/zinc/10/66/39/945106639.db2.gz FJTAKWDRORWKSI-GUYCJALGSA-N 1 0 356.857 3.854 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(C#N)c(F)c1 ZINC000540706664 935541054 /nfs/dbraw/zinc/54/10/54/935541054.db2.gz QDJGOUHXAWZOPT-PNLZDCPESA-N 1 0 367.468 3.637 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000660514633 945108232 /nfs/dbraw/zinc/10/82/32/945108232.db2.gz NXSJIJYXRNLSBS-MSOLQXFVSA-N 1 0 361.555 3.958 20 30 FHEDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000582390140 935621837 /nfs/dbraw/zinc/62/18/37/935621837.db2.gz UGBXMZUTHBAWLB-QGZVFWFLSA-N 1 0 369.852 3.826 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000091212829 935651672 /nfs/dbraw/zinc/65/16/72/935651672.db2.gz CSZNBZYGFBRVPH-FCHUYYIVSA-N 1 0 374.488 3.651 20 30 FHEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1sccc1C#N)CCC2 ZINC000152580636 935757252 /nfs/dbraw/zinc/75/72/52/935757252.db2.gz PHRYFSVZPOMZRS-AWEZNQCLSA-N 1 0 374.535 3.977 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000178587858 935767592 /nfs/dbraw/zinc/76/75/92/935767592.db2.gz SMZLXIDFTKBARB-UHFFFAOYSA-N 1 0 362.477 3.995 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@H](C)C[C@@H]2C)c1C#N ZINC000472231087 935823790 /nfs/dbraw/zinc/82/37/90/935823790.db2.gz FKMVTNARQLRDHG-CABCVRRESA-N 1 0 368.481 3.677 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H]2C)c1C#N ZINC000472231093 935824030 /nfs/dbraw/zinc/82/40/30/935824030.db2.gz FKMVTNARQLRDHG-HUUCEWRRSA-N 1 0 368.481 3.677 20 30 FHEDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000611620241 935826104 /nfs/dbraw/zinc/82/61/04/935826104.db2.gz BXDYOAJODSSLMQ-UHFFFAOYSA-N 1 0 367.453 3.549 20 30 FHEDRO Cc1nc(CC(C)C)sc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329077944 935827012 /nfs/dbraw/zinc/82/70/12/935827012.db2.gz BKHODOOJCBCZHL-UHFFFAOYSA-N 1 0 365.543 3.600 20 30 FHEDRO N#Cc1ccc(NC2CC2)c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000563392209 935830661 /nfs/dbraw/zinc/83/06/61/935830661.db2.gz GISWSLYJNUMZPZ-SFHVURJKSA-N 1 0 360.461 3.593 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000893394204 945128716 /nfs/dbraw/zinc/12/87/16/945128716.db2.gz HHNHHSXQYAHTBF-UHFFFAOYSA-N 1 0 360.527 3.558 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Br)cc1 ZINC000023994850 935878250 /nfs/dbraw/zinc/87/82/50/935878250.db2.gz IHHCSONYYGGNJR-OLZOCXBDSA-N 1 0 372.266 3.999 20 30 FHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2sccc2C#N)CC1 ZINC000128008645 935887004 /nfs/dbraw/zinc/88/70/04/935887004.db2.gz MDOHLKAOVCZIMO-UHFFFAOYSA-N 1 0 374.897 3.667 20 30 FHEDRO C=CC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccccc1 ZINC000427165961 945134860 /nfs/dbraw/zinc/13/48/60/945134860.db2.gz YXBBXLQCQPXCAI-QFIPXVFZSA-N 1 0 364.489 3.942 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)[NH+](CC)CC)cc1 ZINC000562190619 935957896 /nfs/dbraw/zinc/95/78/96/935957896.db2.gz RFFBACPVLMJDBC-QFIPXVFZSA-N 1 0 363.505 3.862 20 30 FHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C#N)c1F)C2 ZINC000934610105 936004822 /nfs/dbraw/zinc/00/48/22/936004822.db2.gz HAZCYKGWQCMTDT-JQFCIGGWSA-N 1 0 359.445 3.575 20 30 FHEDRO CC[C@@H](C)[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472250269 936017340 /nfs/dbraw/zinc/01/73/40/936017340.db2.gz UFFWVWVVSGLSEK-CQSZACIVSA-N 1 0 356.470 3.677 20 30 FHEDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075752916 936019024 /nfs/dbraw/zinc/01/90/24/936019024.db2.gz QYZQBOGSZJZCHI-QGZVFWFLSA-N 1 0 360.417 3.606 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1Cl ZINC000657574656 936045041 /nfs/dbraw/zinc/04/50/41/936045041.db2.gz KJYOQRUOCJDIEG-QGZVFWFLSA-N 1 0 356.853 3.582 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc1Cl ZINC000657580075 936049771 /nfs/dbraw/zinc/04/97/71/936049771.db2.gz YTBJXJZEQGSTDO-SOLBZPMBSA-N 1 0 353.890 3.561 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)cc1Cl ZINC000657580079 936049880 /nfs/dbraw/zinc/04/98/80/936049880.db2.gz YTBJXJZEQGSTDO-XYJFISCASA-N 1 0 353.890 3.561 20 30 FHEDRO COc1cc2cccnc2c(N(c2cccc(C#N)n2)[C@H](C)CCC[NH3+])c1 ZINC001167615931 936114972 /nfs/dbraw/zinc/11/49/72/936114972.db2.gz PYOYSOGCWJCZJG-OAHLLOKOSA-N 1 0 361.449 3.776 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC(CCC#N)CC3)CC2)CC1 ZINC000582783334 936118515 /nfs/dbraw/zinc/11/85/15/936118515.db2.gz KEIQNPQGCXLSRX-UHFFFAOYSA-N 1 0 360.546 3.755 20 30 FHEDRO C=CCC1([NH2+]Cc2csc(COc3ccc(OC)cc3)n2)CCOCC1 ZINC000657633317 936127743 /nfs/dbraw/zinc/12/77/43/936127743.db2.gz LQTJQTUDVDUFPC-UHFFFAOYSA-N 1 0 374.506 3.946 20 30 FHEDRO CCc1cccc(NC(=O)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000329110201 936135275 /nfs/dbraw/zinc/13/52/75/936135275.db2.gz JGXPVTZDJRVHPN-LJQANCHMSA-N 1 0 372.513 3.701 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000329110460 936143041 /nfs/dbraw/zinc/14/30/41/936143041.db2.gz JKSSRQTYRZXWCE-QAPCUYQASA-N 1 0 363.477 3.663 20 30 FHEDRO CC1CCN(c2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)CC1 ZINC000119979083 936172827 /nfs/dbraw/zinc/17/28/27/936172827.db2.gz UQRRZXWUHFSTFG-UHFFFAOYSA-N 1 0 371.529 3.622 20 30 FHEDRO C=CCOCCC[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000657658733 936183854 /nfs/dbraw/zinc/18/38/54/936183854.db2.gz BSNJOEOGUKEFAF-UHFFFAOYSA-N 1 0 364.287 3.626 20 30 FHEDRO C=C(C)COc1cc(C[NH+]2CCC(CC(=O)OCC)CC2)ccc1OC ZINC000507331680 945150838 /nfs/dbraw/zinc/15/08/38/945150838.db2.gz VTQWXUKTCURNEF-UHFFFAOYSA-N 1 0 361.482 3.815 20 30 FHEDRO C#CCOc1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000237850146 936308921 /nfs/dbraw/zinc/30/89/21/936308921.db2.gz QFOXCUKASGIGEZ-KRWDZBQOSA-N 1 0 372.415 3.669 20 30 FHEDRO C=CCCOCCNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000536037468 938264443 /nfs/dbraw/zinc/26/44/43/938264443.db2.gz XSAMFMDUHGETBQ-KDURUIRLSA-N 1 0 373.541 3.556 20 30 FHEDRO C=CCOc1ccccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145728142 938278277 /nfs/dbraw/zinc/27/82/77/938278277.db2.gz IWQOKFSNJNDVTK-UHFFFAOYSA-N 1 0 370.518 3.955 20 30 FHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000458567316 938286628 /nfs/dbraw/zinc/28/66/28/938286628.db2.gz JKPBTFSFZAADEY-IBGZPJMESA-N 1 0 370.522 3.866 20 30 FHEDRO Cc1[nH]c2ccccc2c1C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329272639 938311449 /nfs/dbraw/zinc/31/14/49/938311449.db2.gz AHNVEIMKWVUNDV-QGZVFWFLSA-N 1 0 366.509 3.806 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000245954790 938326908 /nfs/dbraw/zinc/32/69/08/938326908.db2.gz BRIDJAAYTAMLKV-BLLLJJGKSA-N 1 0 368.403 3.771 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000245992520 938326950 /nfs/dbraw/zinc/32/69/50/938326950.db2.gz GSMYCBZTXKBAAU-NVXWUHKLSA-N 1 0 361.873 3.897 20 30 FHEDRO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000329296552 938331782 /nfs/dbraw/zinc/33/17/82/938331782.db2.gz OVTNPAROSQRROE-SFHVURJKSA-N 1 0 367.497 3.595 20 30 FHEDRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000329306361 938338183 /nfs/dbraw/zinc/33/81/83/938338183.db2.gz YSFXSESDWLLAKD-IBGZPJMESA-N 1 0 360.546 3.613 20 30 FHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458656854 938383652 /nfs/dbraw/zinc/38/36/52/938383652.db2.gz NAPLOJLUIBIRIH-UYAOXDASSA-N 1 0 356.514 3.985 20 30 FHEDRO Cc1ccnc(-c2cccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)n1 ZINC000329429295 938404590 /nfs/dbraw/zinc/40/45/90/938404590.db2.gz GZJMEVIMCAUDQU-IBGZPJMESA-N 1 0 365.481 3.558 20 30 FHEDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1C ZINC000329453237 938421816 /nfs/dbraw/zinc/42/18/16/938421816.db2.gz PFVJYBNXWZTHSQ-WMQCIHAUSA-N 1 0 373.541 3.636 20 30 FHEDRO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000329470891 938433634 /nfs/dbraw/zinc/43/36/34/938433634.db2.gz ZDKMAVRWPNEJCT-UHFFFAOYSA-N 1 0 354.498 3.664 20 30 FHEDRO CC[NH+](CC)[C@H](C(=O)N[C@H](C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000161938619 938470026 /nfs/dbraw/zinc/47/00/26/938470026.db2.gz WTTCXWVAXFRQEA-CVEARBPZSA-N 1 0 353.388 3.507 20 30 FHEDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000329565703 938489416 /nfs/dbraw/zinc/48/94/16/938489416.db2.gz SOYBYWVXWSZUHC-SFHVURJKSA-N 1 0 358.486 3.659 20 30 FHEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000583960904 938505717 /nfs/dbraw/zinc/50/57/17/938505717.db2.gz AFYJHLFEYUJSPZ-HUUCEWRRSA-N 1 0 366.427 3.587 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000151272072 938517272 /nfs/dbraw/zinc/51/72/72/938517272.db2.gz AQQHYXIWJFNMNV-QUCCMNQESA-N 1 0 356.514 3.699 20 30 FHEDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278559071 938532380 /nfs/dbraw/zinc/53/23/80/938532380.db2.gz CGHPSPXHJMAWMS-VQTJNVASSA-N 1 0 367.497 3.542 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536193438 938543642 /nfs/dbraw/zinc/54/36/42/938543642.db2.gz VGCXEJZRHSXPTQ-FCHUYYIVSA-N 1 0 363.505 3.872 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000179023802 938546720 /nfs/dbraw/zinc/54/67/20/938546720.db2.gz KOSQDMLKOARSPO-INIZCTEOSA-N 1 0 363.465 3.609 20 30 FHEDRO CC#CCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000458776058 938557797 /nfs/dbraw/zinc/55/77/97/938557797.db2.gz QYYHGIXMJXBXDJ-QZNYNHHHSA-N 1 0 373.928 3.919 20 30 FHEDRO CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000329640807 938568417 /nfs/dbraw/zinc/56/84/17/938568417.db2.gz XHRCBUAXHLQPOS-NEWSRXKRSA-N 1 0 374.529 3.795 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1OC ZINC000584058824 938575863 /nfs/dbraw/zinc/57/58/63/938575863.db2.gz PAOHIPUSVDWBMO-IBGZPJMESA-N 1 0 368.477 3.569 20 30 FHEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000329653925 938579977 /nfs/dbraw/zinc/57/99/77/938579977.db2.gz LLLBRLAOXSWLEK-ONTIZHBOSA-N 1 0 366.509 3.581 20 30 FHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278610151 938581788 /nfs/dbraw/zinc/58/17/88/938581788.db2.gz FJHZVBQOPPBCIT-HUUCEWRRSA-N 1 0 353.388 3.596 20 30 FHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458793829 938593628 /nfs/dbraw/zinc/59/36/28/938593628.db2.gz AAAKSKAYBKYRCN-UYAOXDASSA-N 1 0 356.514 3.795 20 30 FHEDRO CC(C)[NH2+]C1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000584092239 938594131 /nfs/dbraw/zinc/59/41/31/938594131.db2.gz ZMTRUKRJOIYHAY-UHFFFAOYSA-N 1 0 373.298 3.836 20 30 FHEDRO COc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(OC)c1OC ZINC000573032845 938596002 /nfs/dbraw/zinc/59/60/02/938596002.db2.gz DECBNVSTOLKFDT-SFHVURJKSA-N 1 0 352.434 3.751 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000584108843 938601110 /nfs/dbraw/zinc/60/11/10/938601110.db2.gz WYQLMTBGTACOPU-SAABIXHNSA-N 1 0 374.893 3.521 20 30 FHEDRO COc1ccccc1C1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCC1 ZINC000262372111 938606758 /nfs/dbraw/zinc/60/67/58/938606758.db2.gz LXONENHTGDTZEO-SFHVURJKSA-N 1 0 365.477 3.545 20 30 FHEDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807211 938613304 /nfs/dbraw/zinc/61/33/04/938613304.db2.gz SDGDIAMOMRGBIK-MRXNPFEDSA-N 1 0 356.491 3.701 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000657829881 938614154 /nfs/dbraw/zinc/61/41/54/938614154.db2.gz AXCICCLNGZXYCO-WIYYLYMNSA-N 1 0 355.526 3.814 20 30 FHEDRO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1COc2ccccc2O1 ZINC000584144843 938616614 /nfs/dbraw/zinc/61/66/14/938616614.db2.gz QTCSCWZTUYBCDA-OAHLLOKOSA-N 1 0 362.351 3.849 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccs1 ZINC000278648821 938618179 /nfs/dbraw/zinc/61/81/79/938618179.db2.gz MGQCWDWJKSPIFE-MRXNPFEDSA-N 1 0 365.506 3.889 20 30 FHEDRO Cc1cc(C#N)cc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000584215842 938645360 /nfs/dbraw/zinc/64/53/60/938645360.db2.gz ZEVYRWSSXZIYMT-GOSISDBHSA-N 1 0 354.498 3.987 20 30 FHEDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278721916 938685819 /nfs/dbraw/zinc/68/58/19/938685819.db2.gz SUPBERIJWWZEJK-XLIONFOSSA-N 1 0 367.497 3.544 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000516737520 945196392 /nfs/dbraw/zinc/19/63/92/945196392.db2.gz HBYXIINKOKKEQO-GOSISDBHSA-N 1 0 358.526 3.850 20 30 FHEDRO CC(C)(C#N)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000584353018 938696957 /nfs/dbraw/zinc/69/69/57/938696957.db2.gz KKTHXIWQRXAKFF-IBGZPJMESA-N 1 0 353.510 3.685 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000437272257 945197167 /nfs/dbraw/zinc/19/71/67/945197167.db2.gz XLUAEZLYDFXNFL-YWZLYKJASA-N 1 0 355.434 3.804 20 30 FHEDRO C=CCCC(C)(C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000664783645 945200469 /nfs/dbraw/zinc/20/04/69/945200469.db2.gz DRTZGYMGLRTJNF-UHFFFAOYSA-N 1 0 361.452 3.836 20 30 FHEDRO Cc1ccc(N(CCC#N)C(=O)C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000081300863 938782247 /nfs/dbraw/zinc/78/22/47/938782247.db2.gz RISJGPSSZKEDIT-UHFFFAOYSA-N 1 0 362.477 3.549 20 30 FHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@]2(C)OCCc3sccc32)cc1 ZINC000262393725 938875800 /nfs/dbraw/zinc/87/58/00/938875800.db2.gz SEHTZWOJEZGNTC-LJQANCHMSA-N 1 0 359.495 3.750 20 30 FHEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000248759213 938887216 /nfs/dbraw/zinc/88/72/16/938887216.db2.gz GKXKZWJDVPYPOD-XHBSWPGZSA-N 1 0 352.265 3.771 20 30 FHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458798348 938936190 /nfs/dbraw/zinc/93/61/90/938936190.db2.gz HVVHSCKUKACXNT-VQTJNVASSA-N 1 0 356.514 3.937 20 30 FHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427243051 945218255 /nfs/dbraw/zinc/21/82/55/945218255.db2.gz QNXNCGFAYCSBQS-UHFFFAOYSA-N 1 0 373.504 3.762 20 30 FHEDRO N#CCCn1cc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000278776224 938966534 /nfs/dbraw/zinc/96/65/34/938966534.db2.gz YQUJFUCQJIZIGY-CTNGQTDRSA-N 1 0 357.461 3.580 20 30 FHEDRO Cc1c(Cl)cnc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C#N ZINC000544066741 938980094 /nfs/dbraw/zinc/98/00/94/938980094.db2.gz HDLYBBMUPNHZFM-DYVFJYSZSA-N 1 0 360.914 3.894 20 30 FHEDRO FC(F)CN1CC[C@@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000926598906 938995798 /nfs/dbraw/zinc/99/57/98/938995798.db2.gz BSKJRJROIGRFLX-SNVBAGLBSA-N 1 0 356.301 3.969 20 30 FHEDRO C=CC1(CC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCCCC1 ZINC001125753826 938996538 /nfs/dbraw/zinc/99/65/38/938996538.db2.gz KURZEZHIUXCBGN-OAQYLSRUSA-N 1 0 369.553 3.618 20 30 FHEDRO C=CCn1c(CC2CC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000685550701 938999037 /nfs/dbraw/zinc/99/90/37/938999037.db2.gz CZWGKKQHOATHKU-FQEVSTJZSA-N 1 0 365.525 3.517 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000657944543 939010376 /nfs/dbraw/zinc/01/03/76/939010376.db2.gz OMEZJQPVYXBMRY-RXVVDRJESA-N 1 0 355.526 3.931 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCC2(CCO)CCCCC2)c1 ZINC000176948314 939016898 /nfs/dbraw/zinc/01/68/98/939016898.db2.gz SFWUDBHSYNYLNN-UHFFFAOYSA-N 1 0 363.502 3.544 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000091949074 939021414 /nfs/dbraw/zinc/02/14/14/939021414.db2.gz HWMZFCFDYJOEQT-GOSISDBHSA-N 1 0 356.510 3.722 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000188191709 939031661 /nfs/dbraw/zinc/03/16/61/939031661.db2.gz KZKZNFJJEGQBRU-PGRDOPGGSA-N 1 0 373.500 3.759 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000612106075 939054510 /nfs/dbraw/zinc/05/45/10/939054510.db2.gz QYDAFOBWQSPZIT-XMSQKQJNSA-N 1 0 368.525 3.896 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000612097145 939058515 /nfs/dbraw/zinc/05/85/15/939058515.db2.gz XEMKGDSOVMKOID-NRFANRHFSA-N 1 0 354.498 3.508 20 30 FHEDRO N#CC1(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CCCCC1 ZINC000511828133 945226593 /nfs/dbraw/zinc/22/65/93/945226593.db2.gz DBKYMWHLUJBPHF-AQNXPRMDSA-N 1 0 351.494 3.597 20 30 FHEDRO N#CCc1ccc(C[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)cc1 ZINC000796682781 939092031 /nfs/dbraw/zinc/09/20/31/939092031.db2.gz KWXRTSFCLIHMII-FQEVSTJZSA-N 1 0 355.482 3.776 20 30 FHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000612133330 939126034 /nfs/dbraw/zinc/12/60/34/939126034.db2.gz WVUSGVWEEFZOLE-YTQUADARSA-N 1 0 365.502 3.650 20 30 FHEDRO N#Cc1csc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612133322 939126213 /nfs/dbraw/zinc/12/62/13/939126213.db2.gz WBVHRJUDWDFMJN-GBESFXJTSA-N 1 0 365.502 3.650 20 30 FHEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C(=O)Nc1nccs1 ZINC000179436867 939159991 /nfs/dbraw/zinc/15/99/91/939159991.db2.gz UHZYIUVDDHVRSI-WMLDXEAASA-N 1 0 372.494 3.577 20 30 FHEDRO CC(C)C[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C(=O)Nc1nccs1 ZINC000179436879 939160022 /nfs/dbraw/zinc/16/00/22/939160022.db2.gz UHZYIUVDDHVRSI-PBHICJAKSA-N 1 0 372.494 3.577 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000507429961 945231997 /nfs/dbraw/zinc/23/19/97/945231997.db2.gz QXRFUCCNWAZPLL-BFUOFWGJSA-N 1 0 355.388 3.683 20 30 FHEDRO COc1cc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1OC ZINC000179622266 939895930 /nfs/dbraw/zinc/89/59/30/939895930.db2.gz XKMWOABVUVGECS-CYBMUJFWSA-N 1 0 373.478 3.625 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000179636220 939906708 /nfs/dbraw/zinc/90/67/08/939906708.db2.gz ANEDSEPKEWBEPJ-OAHLLOKOSA-N 1 0 370.449 3.622 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000179636228 939907037 /nfs/dbraw/zinc/90/70/37/939907037.db2.gz ANEDSEPKEWBEPJ-HNNXBMFYSA-N 1 0 370.449 3.622 20 30 FHEDRO C=CCC[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000438976062 945281989 /nfs/dbraw/zinc/28/19/89/945281989.db2.gz HTBWYFNDHWIXHO-KRWDZBQOSA-N 1 0 365.315 3.903 20 30 FHEDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000364469900 939950200 /nfs/dbraw/zinc/95/02/00/939950200.db2.gz ATXDYKJCDMQPSO-NRFANRHFSA-N 1 0 357.473 3.700 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000612357876 940020652 /nfs/dbraw/zinc/02/06/52/940020652.db2.gz SOJNBJGHRJCGCX-UYAOXDASSA-N 1 0 374.916 3.812 20 30 FHEDRO C[NH+]1CCC(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000612425582 940062167 /nfs/dbraw/zinc/06/21/67/940062167.db2.gz GNHPKIMZEYOXFV-UHFFFAOYSA-N 1 0 363.461 3.808 20 30 FHEDRO CSCc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930827 940078313 /nfs/dbraw/zinc/07/83/13/940078313.db2.gz NFHKQRDIWLVKEG-UHFFFAOYSA-N 1 0 367.518 3.625 20 30 FHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000065931642 940079279 /nfs/dbraw/zinc/07/92/79/940079279.db2.gz AKSLCXFBORKBHS-UHFFFAOYSA-N 1 0 356.441 3.595 20 30 FHEDRO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000548936822 940107944 /nfs/dbraw/zinc/10/79/44/940107944.db2.gz NOHZMRGFFMDSMC-KRWDZBQOSA-N 1 0 362.477 3.756 20 30 FHEDRO C=CCOc1ccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)cc1OC ZINC000506775816 945297081 /nfs/dbraw/zinc/29/70/81/945297081.db2.gz KLCPXRJRDKEGEM-KRWDZBQOSA-N 1 0 355.434 3.532 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)c1ccc(C#N)cc1 ZINC000548936538 940113557 /nfs/dbraw/zinc/11/35/57/940113557.db2.gz VGGPVJJPOLIRIQ-LLVKDONJSA-N 1 0 354.410 3.596 20 30 FHEDRO COc1ccc(C[N@H+](Cc2ccc(F)c(C#N)c2)[C@H](CO)C(C)C)cc1 ZINC000179924453 940132706 /nfs/dbraw/zinc/13/27/06/940132706.db2.gz VOFBEODWPOBRBQ-OAQYLSRUSA-N 1 0 356.441 3.725 20 30 FHEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000179933913 940146312 /nfs/dbraw/zinc/14/63/12/940146312.db2.gz GIWUSROJMFKNMQ-UHFFFAOYSA-N 1 0 360.461 3.989 20 30 FHEDRO N#Cc1c(F)ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c1Cl ZINC000365407248 940152737 /nfs/dbraw/zinc/15/27/37/940152737.db2.gz VNPQUQTVPRVYLF-UHFFFAOYSA-N 1 0 371.843 3.745 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000660596541 945299371 /nfs/dbraw/zinc/29/93/71/945299371.db2.gz DTYMNKIRXKMVLY-UHFFFAOYSA-N 1 0 356.297 3.833 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000413825038 940160377 /nfs/dbraw/zinc/16/03/77/940160377.db2.gz FAIYEHVUELYQFE-NRFANRHFSA-N 1 0 357.542 3.937 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[NH+]2CCCC2)o1 ZINC000540884628 940179314 /nfs/dbraw/zinc/17/93/14/940179314.db2.gz WSGQMGWNRNICCL-QGZVFWFLSA-N 1 0 357.841 3.680 20 30 FHEDRO C[C@@H]1CCC[C@@](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)([NH+](C)C)C1 ZINC000507524837 945302844 /nfs/dbraw/zinc/30/28/44/945302844.db2.gz CBRAGDGGEDMXSU-QVKFZJNVSA-N 1 0 359.489 3.602 20 30 FHEDRO N#C[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000612652621 940203313 /nfs/dbraw/zinc/20/33/13/940203313.db2.gz XJMDTJYQMKZWRK-HOCLYGCPSA-N 1 0 352.265 3.549 20 30 FHEDRO C=CCc1cc(CNc2cc[nH+]c(C)c2Br)cc(OC)c1O ZINC000584505143 940321894 /nfs/dbraw/zinc/32/18/94/940321894.db2.gz CQQQXVZFQBYDSK-UHFFFAOYSA-N 1 0 363.255 3.629 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000066178388 940327079 /nfs/dbraw/zinc/32/70/79/940327079.db2.gz IRCVXEZOVAZKJB-ROUUACIJSA-N 1 0 356.514 3.741 20 30 FHEDRO CN(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCCC1 ZINC000180054014 940347485 /nfs/dbraw/zinc/34/74/85/940347485.db2.gz YHIDQCSHICHWJU-NRFANRHFSA-N 1 0 365.525 3.559 20 30 FHEDRO COc1ccccc1CC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180081266 940426105 /nfs/dbraw/zinc/42/61/05/940426105.db2.gz YAWPXEVSPUVURC-UHFFFAOYSA-N 1 0 360.461 3.642 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)O1 ZINC000376178684 940426770 /nfs/dbraw/zinc/42/67/70/940426770.db2.gz SVEAVUXMLFJXKO-XRXFAXGQSA-N 1 0 367.493 3.755 20 30 FHEDRO COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000376178045 940429498 /nfs/dbraw/zinc/42/94/98/940429498.db2.gz NIBODZUSEBQUQB-BQJUDKOJSA-N 1 0 372.509 3.740 20 30 FHEDRO Cc1cccc(C)c1OCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180093873 940469949 /nfs/dbraw/zinc/46/99/49/940469949.db2.gz YATRSEQBQYAVTG-UHFFFAOYSA-N 1 0 360.461 3.744 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nnc(-c4ccc(F)cc4)n3C1)CC2 ZINC000580488146 940476737 /nfs/dbraw/zinc/47/67/37/940476737.db2.gz AKVQSGFQIOTGAY-AZUAARDMSA-N 1 0 373.435 3.548 20 30 FHEDRO N#C[C@H]1CCC[C@@H](Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)C1 ZINC000613252251 940493574 /nfs/dbraw/zinc/49/35/74/940493574.db2.gz MKFVQRBTGWHMTG-FXAWDEMLSA-N 1 0 354.498 3.995 20 30 FHEDRO C[C@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581334500 940499545 /nfs/dbraw/zinc/49/95/45/940499545.db2.gz YTBPIZVINQEVFC-KSSFIOAISA-N 1 0 368.868 3.996 20 30 FHEDRO CC1CC[NH+]([C@H](C/N=C/c2ccc(O)c(O)c2O)c2ccccc2)CC1 ZINC000124767346 945328547 /nfs/dbraw/zinc/32/85/47/945328547.db2.gz VCXDSZUBEUYODM-MNOULKQQSA-N 1 0 354.450 3.696 20 30 FHEDRO Cc1ccccc1NC(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000173329546 940609659 /nfs/dbraw/zinc/60/96/59/940609659.db2.gz ZSGOFNFPOSIJSD-UHFFFAOYSA-N 1 0 363.461 3.739 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2ccccc2F)c(OC)c1 ZINC000613373412 940643257 /nfs/dbraw/zinc/64/32/57/940643257.db2.gz NLDXAEKXRIHZJU-FUHWJXTLSA-N 1 0 373.468 3.996 20 30 FHEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000511861211 945339339 /nfs/dbraw/zinc/33/93/39/945339339.db2.gz SCKNLFUGTYUNRN-ULQDDVLXSA-N 1 0 352.400 3.718 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OC(F)F)CC1 ZINC000174059672 940699277 /nfs/dbraw/zinc/69/92/77/940699277.db2.gz PDQSCNMBHYEJFQ-UHFFFAOYSA-N 1 0 357.376 3.589 20 30 FHEDRO N#CC1(c2ccc(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000180166829 940748782 /nfs/dbraw/zinc/74/87/82/940748782.db2.gz XBSWFGITZYQNGH-UHFFFAOYSA-N 1 0 373.500 3.884 20 30 FHEDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000582599065 940751495 /nfs/dbraw/zinc/75/14/95/940751495.db2.gz UVZBBOWGKXVHBP-GOSISDBHSA-N 1 0 354.450 3.695 20 30 FHEDRO C[N@H+](CCN(Cc1ccccc1)C(=O)c1c[nH]c(C#N)c1)Cc1ccccc1 ZINC000540907533 940755543 /nfs/dbraw/zinc/75/55/43/940755543.db2.gz FURFBSSKCORZTF-UHFFFAOYSA-N 1 0 372.472 3.661 20 30 FHEDRO N#Cc1ccc(CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C2CC2)cc1 ZINC000549029167 940759582 /nfs/dbraw/zinc/75/95/82/940759582.db2.gz YKGXRISHQKFSHE-UHFFFAOYSA-N 1 0 359.473 3.959 20 30 FHEDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cccc(C(F)F)c1C#N ZINC000582616728 940763801 /nfs/dbraw/zinc/76/38/01/940763801.db2.gz PVTBVLGAISPWKP-HNNXBMFYSA-N 1 0 371.435 3.513 20 30 FHEDRO Cn1cc(C[NH2+]CCOC2CCCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180227454 940843876 /nfs/dbraw/zinc/84/38/76/940843876.db2.gz AUADVWIQWBWKRP-UHFFFAOYSA-N 1 0 352.482 3.788 20 30 FHEDRO Cc1cc(F)c(C#N)c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)c1 ZINC000892585790 940848722 /nfs/dbraw/zinc/84/87/22/940848722.db2.gz BELDBQPASKEHFF-ZDUSSCGKSA-N 1 0 359.474 3.796 20 30 FHEDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(C)c(C#N)c3)C2)cc(OC)c1 ZINC001167772102 945357102 /nfs/dbraw/zinc/35/71/02/945357102.db2.gz GGXWDWBQMFTHHN-LJQANCHMSA-N 1 0 365.477 3.960 20 30 FHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1csc(-c2ncccc2F)n1 ZINC000330104526 945359338 /nfs/dbraw/zinc/35/93/38/945359338.db2.gz JBFJQZXAWAHUAC-UHFFFAOYSA-N 1 0 360.458 3.666 20 30 FHEDRO COCC[N@H+](C)CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838275 940913634 /nfs/dbraw/zinc/91/36/34/940913634.db2.gz BYDQDIJHQDFDML-GOTSBHOMSA-N 1 0 363.505 3.845 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000414304654 940931171 /nfs/dbraw/zinc/93/11/71/940931171.db2.gz PBPQSMDTYOGMOO-VQIMIIECSA-N 1 0 358.507 3.896 20 30 FHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1csc(Nc2ccccn2)n1 ZINC000330114652 945362658 /nfs/dbraw/zinc/36/26/58/945362658.db2.gz SZNBFNTYESOZOR-UHFFFAOYSA-N 1 0 357.483 3.603 20 30 FHEDRO CC1CCC([NH+]2CCN(C(=O)c3cccc(SCC#N)c3)CC2)CC1 ZINC000175976087 940961733 /nfs/dbraw/zinc/96/17/33/940961733.db2.gz KPUCSMZSGBFJHM-UHFFFAOYSA-N 1 0 357.523 3.639 20 30 FHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(F)cc1C#N ZINC000176030222 940975551 /nfs/dbraw/zinc/97/55/51/940975551.db2.gz XXGHBAKQQOFNJP-UHFFFAOYSA-N 1 0 374.382 3.825 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCN(C(=O)C3CCCCC3)C2)c(O)c1 ZINC000255909354 941012257 /nfs/dbraw/zinc/01/22/57/941012257.db2.gz YZLXQNFXIICBIF-MIDMBNTASA-N 1 0 371.525 3.839 20 30 FHEDRO N#Cc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000180642597 941059100 /nfs/dbraw/zinc/05/91/00/941059100.db2.gz MOBHTFAKEDHSCM-UHFFFAOYSA-N 1 0 369.856 3.645 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000376473127 941065895 /nfs/dbraw/zinc/06/58/95/941065895.db2.gz RJQXKBXVSYIQGV-QUCCMNQESA-N 1 0 352.482 3.965 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)c2cc(C#N)cs2)c2cccs2)CC1 ZINC000176862113 941081465 /nfs/dbraw/zinc/08/14/65/941081465.db2.gz AZCTUPZIARFAAM-OAHLLOKOSA-N 1 0 359.520 3.884 20 30 FHEDRO CN(Cc1ccc(C#N)cc1Br)[C@H]1CCCc2c1cnn2C ZINC000181186639 941112332 /nfs/dbraw/zinc/11/23/32/941112332.db2.gz IYJGWWRVLXBBPT-INIZCTEOSA-N 1 0 359.271 3.564 20 30 FHEDRO C[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1n1ccnc1 ZINC000181183990 941112361 /nfs/dbraw/zinc/11/23/61/941112361.db2.gz BPVMLFILADQCGN-DYVFJYSZSA-N 1 0 359.271 3.600 20 30 FHEDRO Cc1cnc(CCN(C)Cc2ccc(C#N)cc2Br)s1 ZINC000181191820 941112477 /nfs/dbraw/zinc/11/24/77/941112477.db2.gz KWHZASLIXVQNLN-UHFFFAOYSA-N 1 0 350.285 3.760 20 30 FHEDRO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000181304945 941119746 /nfs/dbraw/zinc/11/97/46/941119746.db2.gz QSHGXCCWGYOPRI-HNNXBMFYSA-N 1 0 354.837 3.999 20 30 FHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CC2CCC2)c2ccccc2)c1 ZINC000181354542 941132168 /nfs/dbraw/zinc/13/21/68/941132168.db2.gz LCSLRCKEARIBNW-NRFANRHFSA-N 1 0 368.502 3.853 20 30 FHEDRO CC(C)[N@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccc(C#N)cc1 ZINC000188981898 941138019 /nfs/dbraw/zinc/13/80/19/941138019.db2.gz CNESPWPBNDBWAF-UHFFFAOYSA-N 1 0 361.489 3.744 20 30 FHEDRO C[NH+](C)C1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000189472881 941158499 /nfs/dbraw/zinc/15/84/99/941158499.db2.gz WBIKNWXBHSFCDD-UHFFFAOYSA-N 1 0 364.449 3.908 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)c1ccc(C(F)(F)F)cc1 ZINC000659472572 941291116 /nfs/dbraw/zinc/29/11/16/941291116.db2.gz OJIIFVOFQKWDME-MNQCNDSGSA-N 1 0 367.415 3.845 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000181503322 941363209 /nfs/dbraw/zinc/36/32/09/941363209.db2.gz INSXZCSJWPEPAC-LSDHHAIUSA-N 1 0 355.413 3.517 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000181558648 941365333 /nfs/dbraw/zinc/36/53/33/941365333.db2.gz UIUOUZUWXVHMCT-QZTJIDSGSA-N 1 0 365.477 3.995 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000181524415 941366639 /nfs/dbraw/zinc/36/66/39/941366639.db2.gz KIOJUPUESGEXCG-KRWDZBQOSA-N 1 0 351.450 3.607 20 30 FHEDRO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC#N)cc1 ZINC000181722573 941370338 /nfs/dbraw/zinc/37/03/38/941370338.db2.gz RIBWAVSDGHHCOA-DLBZAZTESA-N 1 0 373.497 3.887 20 30 FHEDRO C#CCC(CC#C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000376660275 941375167 /nfs/dbraw/zinc/37/51/67/941375167.db2.gz OBQAHVIPOPAGJA-ICSRJNTNSA-N 1 0 356.897 3.502 20 30 FHEDRO C#CCC(CC#C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000376660274 941375259 /nfs/dbraw/zinc/37/52/59/941375259.db2.gz OBQAHVIPOPAGJA-AZUAARDMSA-N 1 0 356.897 3.502 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCCC(F)(F)[C@@H]3O)c2)c1 ZINC000414538748 941376104 /nfs/dbraw/zinc/37/61/04/941376104.db2.gz QXLFHZRDFNZDMN-VQTJNVASSA-N 1 0 372.415 3.776 20 30 FHEDRO N#Cc1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c(C(F)(F)F)c1 ZINC000414553329 941377938 /nfs/dbraw/zinc/37/79/38/941377938.db2.gz LBSABESDMWKUFO-UHFFFAOYSA-N 1 0 364.411 3.854 20 30 FHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)CCN2C2CC2)c1 ZINC000549115534 941379477 /nfs/dbraw/zinc/37/94/77/941379477.db2.gz JEDJDRBNNFLUNN-FCHUYYIVSA-N 1 0 365.452 3.774 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC(C)(C)CCC#N ZINC000376709028 941385366 /nfs/dbraw/zinc/38/53/66/941385366.db2.gz FMWDGUHBQIRRLC-HKUYNNGSSA-N 1 0 356.514 3.526 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c1 ZINC000414590659 941388518 /nfs/dbraw/zinc/38/85/18/941388518.db2.gz XUHWXRDUPFTUDC-RXVVDRJESA-N 1 0 350.462 3.778 20 30 FHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(I)c(C)c1 ZINC001218452074 941402088 /nfs/dbraw/zinc/40/20/88/941402088.db2.gz QVBDVYSYBZQNMZ-HUUCEWRRSA-N 1 0 357.235 3.675 20 30 FHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(I)cc1F ZINC001218452076 941402143 /nfs/dbraw/zinc/40/21/43/941402143.db2.gz QYLGNZKFBYAKRY-TZMCWYRMSA-N 1 0 361.198 3.506 20 30 FHEDRO CC(C)C[C@H]([NH3+])c1noc(-c2cnn(CCC#N)c2-c2ccccc2)n1 ZINC000414624885 941412569 /nfs/dbraw/zinc/41/25/69/941412569.db2.gz WHLQTJXGVBXATN-INIZCTEOSA-N 1 0 350.426 3.560 20 30 FHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cnccc2C)cc1C ZINC000782999046 941425278 /nfs/dbraw/zinc/42/52/78/941425278.db2.gz LNCIVUUSMAFQAZ-GOSISDBHSA-N 1 0 350.466 3.604 20 30 FHEDRO CCOc1ccccc1Oc1ccc(CNC(=[NH2+])Nc2ccccn2)cn1 ZINC000170911869 941433764 /nfs/dbraw/zinc/43/37/64/941433764.db2.gz RCWFBVRVIGUQDO-UHFFFAOYSA-N 1 0 363.421 3.594 20 30 FHEDRO CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376844830 941449132 /nfs/dbraw/zinc/44/91/32/941449132.db2.gz UZTSTHYOVGQTNL-UONOGXRCSA-N 1 0 356.495 3.588 20 30 FHEDRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000613618286 941475071 /nfs/dbraw/zinc/47/50/71/941475071.db2.gz DWFQVNJIVGVVBT-HZPDHXFCSA-N 1 0 351.450 3.555 20 30 FHEDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000414959963 941528643 /nfs/dbraw/zinc/52/86/43/941528643.db2.gz GIGRIJOOSJDEMM-OAHLLOKOSA-N 1 0 370.840 3.830 20 30 FHEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415006660 941538070 /nfs/dbraw/zinc/53/80/70/941538070.db2.gz KUUGCSCNSAPXMO-CABCVRRESA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000415007597 941538437 /nfs/dbraw/zinc/53/84/37/941538437.db2.gz LPXZASIPEVVWKB-BEFAXECRSA-N 1 0 364.449 3.990 20 30 FHEDRO CC1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[NH2+]CC1 ZINC000415013735 941547048 /nfs/dbraw/zinc/54/70/48/941547048.db2.gz VOMIJLFDNXJQEW-UHFFFAOYSA-N 1 0 364.449 3.862 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415030035 941553760 /nfs/dbraw/zinc/55/37/60/941553760.db2.gz BQAFISZVUIXNJU-DOTOQJQBSA-N 1 0 364.449 3.942 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)cc1 ZINC000415030859 941554506 /nfs/dbraw/zinc/55/45/06/941554506.db2.gz CWTKPUIVKWSCJO-KRWDZBQOSA-N 1 0 364.449 3.943 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[NH2+]1 ZINC000415043012 941562242 /nfs/dbraw/zinc/56/22/42/941562242.db2.gz RBCPBEMFBYFARN-YOEHRIQHSA-N 1 0 350.422 3.613 20 30 FHEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415048127 941565112 /nfs/dbraw/zinc/56/51/12/941565112.db2.gz WUJWKRITSQHVDK-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO CCC[NH2+]CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415057937 941570925 /nfs/dbraw/zinc/57/09/25/941570925.db2.gz HVNFWFOKEPHWJL-UHFFFAOYSA-N 1 0 352.438 3.780 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000415063421 941580616 /nfs/dbraw/zinc/58/06/16/941580616.db2.gz OYNFQRFXPGYAHK-FOIQADDNSA-N 1 0 364.449 3.779 20 30 FHEDRO CCC[NH2+]CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000415120163 941616871 /nfs/dbraw/zinc/61/68/71/941616871.db2.gz IWZALQQFFLQZCD-UHFFFAOYSA-N 1 0 366.465 3.567 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000415148770 941630203 /nfs/dbraw/zinc/63/02/03/941630203.db2.gz MEZUFBWUUORAMD-HZPDHXFCSA-N 1 0 350.422 3.742 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1C[NH3+] ZINC000415147630 941633448 /nfs/dbraw/zinc/63/34/48/941633448.db2.gz HZINFHCHJFFKMT-DOTOQJQBSA-N 1 0 364.449 3.799 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[NH2+]1 ZINC000415153903 941636990 /nfs/dbraw/zinc/63/69/90/941636990.db2.gz DEZBNPAGRYJPIP-RHSMWYFYSA-N 1 0 350.422 3.613 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415159979 941643188 /nfs/dbraw/zinc/64/31/88/941643188.db2.gz KITXLMZSDMUAKN-KXBFYZLASA-N 1 0 358.511 3.546 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415161580 941643571 /nfs/dbraw/zinc/64/35/71/941643571.db2.gz MSPWLMWAMYOVOP-JYJNAYRXSA-N 1 0 360.527 3.967 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415161089 941644311 /nfs/dbraw/zinc/64/43/11/941644311.db2.gz MGJXFQUQTGOZQB-RDJZCZTQSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415164428 941646643 /nfs/dbraw/zinc/64/66/43/941646643.db2.gz PRZVHZGQDNDWIK-BZUAXINKSA-N 1 0 360.527 3.825 20 30 FHEDRO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000415165359 941647002 /nfs/dbraw/zinc/64/70/02/941647002.db2.gz DXONHCMKISZXLF-NRFANRHFSA-N 1 0 367.468 3.781 20 30 FHEDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415165417 941647021 /nfs/dbraw/zinc/64/70/21/941647021.db2.gz QJIWGDBBTMAHIN-FQEVSTJZSA-N 1 0 350.422 3.553 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415166171 941648020 /nfs/dbraw/zinc/64/80/20/941648020.db2.gz RAAIJWLIXLXNCU-FXUDXRNXSA-N 1 0 358.511 3.672 20 30 FHEDRO CN(C(=O)OC(C)(C)C)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000178322498 941652419 /nfs/dbraw/zinc/65/24/19/941652419.db2.gz GWXVQORRLWRWFH-UHFFFAOYSA-N 1 0 373.497 3.658 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000472744622 941663838 /nfs/dbraw/zinc/66/38/38/941663838.db2.gz CJMULIQZIDJEPT-XXBNENTESA-N 1 0 367.489 3.978 20 30 FHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)c(C#N)c1C ZINC000181547702 941667806 /nfs/dbraw/zinc/66/78/06/941667806.db2.gz DEIIULPAUJXZFP-SFHVURJKSA-N 1 0 353.491 3.786 20 30 FHEDRO N#Cc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000415212269 941680295 /nfs/dbraw/zinc/68/02/95/941680295.db2.gz MKSGDSCLHUHQBV-DOTOQJQBSA-N 1 0 374.366 3.536 20 30 FHEDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000415237506 941692427 /nfs/dbraw/zinc/69/24/27/941692427.db2.gz IVSYDQKHNKFEDE-FQEVSTJZSA-N 1 0 368.412 3.692 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc1F ZINC000415238593 941692682 /nfs/dbraw/zinc/69/26/82/941692682.db2.gz MAPAMZLINVKODR-CQSZACIVSA-N 1 0 368.412 3.611 20 30 FHEDRO C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000613672612 941693758 /nfs/dbraw/zinc/69/37/58/941693758.db2.gz WAXWMBGPKPAKKX-IERDGZPVSA-N 1 0 360.461 3.586 20 30 FHEDRO C[C@H](NC(=O)c1cc2ccccc2n1CC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000613672614 941694929 /nfs/dbraw/zinc/69/49/29/941694929.db2.gz WAXWMBGPKPAKKX-KKSFZXQISA-N 1 0 360.461 3.586 20 30 FHEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)c(OC)c1 ZINC000729266755 941705164 /nfs/dbraw/zinc/70/51/64/941705164.db2.gz CKYDBGRQIHWLJG-FQEVSTJZSA-N 1 0 352.434 3.943 20 30 FHEDRO COc1ccc2c(c1)CCC[C@H]2NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330100718 941714422 /nfs/dbraw/zinc/71/44/22/941714422.db2.gz DSQBQLOFKWAFKS-OAQYLSRUSA-N 1 0 371.525 3.983 20 30 FHEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000178863477 941734632 /nfs/dbraw/zinc/73/46/32/941734632.db2.gz QPWAOADMCUOIBU-UHFFFAOYSA-N 1 0 366.461 3.646 20 30 FHEDRO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000729372790 941739907 /nfs/dbraw/zinc/73/99/07/941739907.db2.gz RNABAIYNZIDGDY-HXUWFJFHSA-N 1 0 364.493 3.522 20 30 FHEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000377466340 941748488 /nfs/dbraw/zinc/74/84/88/941748488.db2.gz XVYQPDVNYMTEKJ-PSBWJHGTSA-N 1 0 362.539 3.619 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000513183895 941774904 /nfs/dbraw/zinc/77/49/04/941774904.db2.gz KXSAKNSGFVPUOQ-QGZVFWFLSA-N 1 0 371.828 3.764 20 30 FHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549261568 941785138 /nfs/dbraw/zinc/78/51/38/941785138.db2.gz ROLRCDDCAGNWBF-LJQANCHMSA-N 1 0 365.525 3.833 20 30 FHEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000085612650 941803178 /nfs/dbraw/zinc/80/31/78/941803178.db2.gz QCHCLALIYNDWRG-UHFFFAOYSA-N 1 0 356.392 3.629 20 30 FHEDRO N#Cc1ccc(CCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000365588786 941805558 /nfs/dbraw/zinc/80/55/58/941805558.db2.gz XGYPNMNOENWGAD-JOCHJYFZSA-N 1 0 361.489 3.519 20 30 FHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549272759 941813268 /nfs/dbraw/zinc/81/32/68/941813268.db2.gz MLBNXLZTJRECPJ-AZUAARDMSA-N 1 0 371.573 3.896 20 30 FHEDRO C[C@H](NC(=[NH2+])NCc1nccn1C(F)F)c1ccc(Cl)cc1Cl ZINC000262021112 941839741 /nfs/dbraw/zinc/83/97/41/941839741.db2.gz XUZUFZLMMMIFGV-QMMMGPOBSA-N 1 0 362.211 3.751 20 30 FHEDRO CSc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[NH+](C)C)cc1 ZINC000549285377 941840783 /nfs/dbraw/zinc/84/07/83/941840783.db2.gz GTCDWEQJFIJQQS-SFHVURJKSA-N 1 0 356.451 3.903 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[NH2+]1 ZINC000415540978 941887490 /nfs/dbraw/zinc/88/74/90/941887490.db2.gz ZQTHPVPRZTXUCF-PBHICJAKSA-N 1 0 350.422 3.613 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000182515245 941938121 /nfs/dbraw/zinc/93/81/21/941938121.db2.gz WXGCQLNMOCEYAG-JTQLQIEISA-N 1 0 369.368 3.808 20 30 FHEDRO CCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000513490329 941959659 /nfs/dbraw/zinc/95/96/59/941959659.db2.gz NDPLAUNSWPEMJA-FGZHOGPDSA-N 1 0 364.489 3.567 20 30 FHEDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1Cc1nc(C)c(C)o1)c1ccc(C#N)cc1 ZINC000377788848 941989931 /nfs/dbraw/zinc/98/99/31/941989931.db2.gz XIBGYILBRPLBPL-SLFFLAALSA-N 1 0 370.472 3.816 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3ccco3)nn2C(C)C)CC1 ZINC000433919670 941998211 /nfs/dbraw/zinc/99/82/11/941998211.db2.gz CKROZKPPYMQHTI-UHFFFAOYSA-N 1 0 371.485 3.886 20 30 FHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000472888422 942040756 /nfs/dbraw/zinc/04/07/56/942040756.db2.gz ULCCOBQEWPAZSM-LEWJYISDSA-N 1 0 359.473 3.835 20 30 FHEDRO O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]2CCC[C@H]21)C1CCCCC1 ZINC000328774179 942052983 /nfs/dbraw/zinc/05/29/83/942052983.db2.gz KFZBFPCCZUKTMS-ZYSHUDEJSA-N 1 0 372.513 3.649 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000415799615 942055328 /nfs/dbraw/zinc/05/53/28/942055328.db2.gz COSNPZNTCKTTJH-CQSZACIVSA-N 1 0 352.463 3.535 20 30 FHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415801599 942059013 /nfs/dbraw/zinc/05/90/13/942059013.db2.gz GTOSDSZOSRLKDM-KRWDZBQOSA-N 1 0 366.490 3.925 20 30 FHEDRO C[C@@H](CCC[NH3+])NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415802219 942059344 /nfs/dbraw/zinc/05/93/44/942059344.db2.gz HWLMQLHFFDDZGB-AWEZNQCLSA-N 1 0 354.479 3.958 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC[C@@H]1[NH3+] ZINC000415804381 942061420 /nfs/dbraw/zinc/06/14/20/942061420.db2.gz KQCNRIJAKBPKLX-KSSFIOAISA-N 1 0 366.490 3.910 20 30 FHEDRO CC(C)(C#N)CCC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000377931927 942075898 /nfs/dbraw/zinc/07/58/98/942075898.db2.gz MEWNHJHEWQQKKX-QGZVFWFLSA-N 1 0 355.530 3.904 20 30 FHEDRO C=C(C)[C@@H](CC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)OCC ZINC000279997990 942087868 /nfs/dbraw/zinc/08/78/68/942087868.db2.gz KXLVJAQSWILVLG-OAQYLSRUSA-N 1 0 373.541 3.774 20 30 FHEDRO COc1ccccc1CNC(=[NH2+])NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000178578670 942089404 /nfs/dbraw/zinc/08/94/04/942089404.db2.gz UHSDVPNIGYZCEI-TZIWHRDSSA-N 1 0 367.493 3.576 20 30 FHEDRO Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(OCC[NH+](C)C)c1 ZINC000280024879 942089873 /nfs/dbraw/zinc/08/98/73/942089873.db2.gz FTPGVBPLUKMBEN-UHFFFAOYSA-N 1 0 365.477 3.989 20 30 FHEDRO CCC[N@H+](C)[C@@H](CNC(=O)NCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000501859211 942093545 /nfs/dbraw/zinc/09/35/45/942093545.db2.gz OTRQGLPDUHWKDH-INIZCTEOSA-N 1 0 350.894 3.572 20 30 FHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C)c1C#N ZINC000501927942 942117239 /nfs/dbraw/zinc/11/72/39/942117239.db2.gz IUYJIAOXPRWATH-YWZLYKJASA-N 1 0 364.493 3.742 20 30 FHEDRO COc1cccc(C=C2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000472926016 942130725 /nfs/dbraw/zinc/13/07/25/942130725.db2.gz JMLSBJBIUOFHII-HTAPYJJXSA-N 1 0 369.509 3.617 20 30 FHEDRO C[C@H]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000513690731 942150911 /nfs/dbraw/zinc/15/09/11/942150911.db2.gz LLNLAPPIBAHGOQ-INIZCTEOSA-N 1 0 367.880 3.948 20 30 FHEDRO CCCc1ccc(C(=O)C(C(=S)NC2CC2)[n+]2ccc(C)cc2)cc1 ZINC000280503645 942192526 /nfs/dbraw/zinc/19/25/26/942192526.db2.gz CXMPKKWFTNUBPD-UHFFFAOYSA-O 1 0 353.511 3.926 20 30 FHEDRO CNC(=S)C(C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1ccccc1 ZINC000024566609 942241638 /nfs/dbraw/zinc/24/16/38/942241638.db2.gz SHBLNBZBHVCPLZ-UHFFFAOYSA-O 1 0 363.462 3.925 20 30 FHEDRO CCC1(CNC(=O)NCC2(C#N)CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000419472724 942271032 /nfs/dbraw/zinc/27/10/32/942271032.db2.gz IMHWXVYFXNFILY-UHFFFAOYSA-N 1 0 368.525 3.672 20 30 FHEDRO C=CCOc1c(Br)cc(C[N@H+](C[C@@H](C)O)C(C)C)cc1OC ZINC000093144608 942272805 /nfs/dbraw/zinc/27/28/05/942272805.db2.gz XDKOBZPULHVPQS-CYBMUJFWSA-N 1 0 372.303 3.614 20 30 FHEDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1OCCCC#N ZINC000414490049 942301669 /nfs/dbraw/zinc/30/16/69/942301669.db2.gz UVRFYOLSVUEJMX-WOJBJXKFSA-N 1 0 366.461 3.686 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000501116596 942317270 /nfs/dbraw/zinc/31/72/70/942317270.db2.gz YLGCKGWIQKPWBD-HXUWFJFHSA-N 1 0 368.521 3.866 20 30 FHEDRO CC(C)[NH+](CCN(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000419632014 942333218 /nfs/dbraw/zinc/33/32/18/942333218.db2.gz FKBOBYYHPQGLCE-FQEVSTJZSA-N 1 0 356.514 3.696 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000416113708 942357543 /nfs/dbraw/zinc/35/75/43/942357543.db2.gz XLFVBKVVCFRMEX-QHCPKHFHSA-N 1 0 373.500 3.964 20 30 FHEDRO C=CCN1CC[C@@H]([N@H+](C)C/C(C)=C\c2ccccc2C(F)(F)F)C1=O ZINC000502357304 942377463 /nfs/dbraw/zinc/37/74/63/942377463.db2.gz WUKGSAISGZZVPU-BHEFUSTPSA-N 1 0 352.400 3.827 20 30 FHEDRO C[NH+](C)[C@H](CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000416169488 942436962 /nfs/dbraw/zinc/43/69/62/942436962.db2.gz FFWBNBZDSWDSQZ-YPAWHYETSA-N 1 0 361.489 3.978 20 30 FHEDRO C[NH+](C)[C@H](CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000416169485 942437025 /nfs/dbraw/zinc/43/70/25/942437025.db2.gz FFWBNBZDSWDSQZ-BHDDXSALSA-N 1 0 361.489 3.978 20 30 FHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000378252474 942471247 /nfs/dbraw/zinc/47/12/47/942471247.db2.gz ZOZCMEXTMIJQMG-HXUWFJFHSA-N 1 0 362.477 3.768 20 30 FHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000378252473 942471253 /nfs/dbraw/zinc/47/12/53/942471253.db2.gz ZOZCMEXTMIJQMG-FQEVSTJZSA-N 1 0 362.477 3.768 20 30 FHEDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)N2CCCC2)cc1 ZINC000421322356 942482413 /nfs/dbraw/zinc/48/24/13/942482413.db2.gz DLLYJGHQJLMFMC-OAQYLSRUSA-N 1 0 353.441 3.633 20 30 FHEDRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421326688 942484042 /nfs/dbraw/zinc/48/40/42/942484042.db2.gz OMHNCBQLYIRNNP-INIZCTEOSA-N 1 0 359.832 3.728 20 30 FHEDRO Cc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502508217 942485480 /nfs/dbraw/zinc/48/54/80/942485480.db2.gz QCJCKFUDOBPCSC-QFIPXVFZSA-N 1 0 362.473 3.704 20 30 FHEDRO COC(=O)c1cccc(OCC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502497734 942492256 /nfs/dbraw/zinc/49/22/56/942492256.db2.gz YMMCKYVSWXFFFC-UHFFFAOYSA-N 1 0 362.429 3.513 20 30 FHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000421344407 942498275 /nfs/dbraw/zinc/49/82/75/942498275.db2.gz SYSBSZNWNMYCGA-RTWAWAEBSA-N 1 0 363.440 3.755 20 30 FHEDRO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(C#N)s1 ZINC000421350185 942502823 /nfs/dbraw/zinc/50/28/23/942502823.db2.gz KTVVAMKOHQLKBO-ZDUSSCGKSA-N 1 0 361.898 3.800 20 30 FHEDRO CCc1nc(CN2CCC(C[NH2+]Cc3ccc(C#N)c(F)c3)CC2)cs1 ZINC000421363924 942516459 /nfs/dbraw/zinc/51/64/59/942516459.db2.gz NAFIJMJAVFWNQJ-UHFFFAOYSA-N 1 0 372.513 3.718 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCC2(O)CCC2)c1 ZINC000421367587 942519245 /nfs/dbraw/zinc/51/92/45/942519245.db2.gz FIMMMBIJTZILSE-UHFFFAOYSA-N 1 0 350.462 3.922 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)cc1 ZINC000421369878 942521609 /nfs/dbraw/zinc/52/16/09/942521609.db2.gz CPCBISZIWOBEIL-IBGZPJMESA-N 1 0 355.551 3.646 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000501533807 942535531 /nfs/dbraw/zinc/53/55/31/942535531.db2.gz JSWTXJCEMKHUIZ-QZTJIDSGSA-N 1 0 356.514 3.600 20 30 FHEDRO CCCCCCCCCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000378309767 942566695 /nfs/dbraw/zinc/56/66/95/942566695.db2.gz BRMXIUCUJZNEPZ-PMACEKPBSA-N 1 0 351.579 3.612 20 30 FHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc(F)c(F)c(F)c1 ZINC000161697625 942574607 /nfs/dbraw/zinc/57/46/07/942574607.db2.gz CWKLZIMCBQARGM-LBPRGKRZSA-N 1 0 360.383 3.690 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000513898939 942587793 /nfs/dbraw/zinc/58/77/93/942587793.db2.gz SXNUERINUUXANT-INIZCTEOSA-N 1 0 358.486 3.563 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000502639112 942605832 /nfs/dbraw/zinc/60/58/32/942605832.db2.gz XWWAGQNIQZSGRZ-QGZVFWFLSA-N 1 0 358.486 3.731 20 30 FHEDRO N#Cc1cccc(CC[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000366972740 942616056 /nfs/dbraw/zinc/61/60/56/942616056.db2.gz HYOCGPFDGFBRCE-UHFFFAOYSA-N 1 0 367.880 3.649 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000378350006 942630450 /nfs/dbraw/zinc/63/04/50/942630450.db2.gz QEYODSOTWVQDEG-KRWDZBQOSA-N 1 0 361.445 3.893 20 30 FHEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000183583087 942636461 /nfs/dbraw/zinc/63/64/61/942636461.db2.gz QDVAHADJAOXNLM-DOTOQJQBSA-N 1 0 350.418 3.703 20 30 FHEDRO C=C(C)[C@@H](CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)OCC ZINC000425076772 942642073 /nfs/dbraw/zinc/64/20/73/942642073.db2.gz GOHSATNDENIFIS-CQSZACIVSA-N 1 0 351.516 3.610 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC2)cc1 ZINC000366982833 942643102 /nfs/dbraw/zinc/64/31/02/942643102.db2.gz PGEPZPVNZXOXJP-FQEVSTJZSA-N 1 0 371.484 3.810 20 30 FHEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(F)cc(F)c1OC)C2 ZINC001143559935 942737418 /nfs/dbraw/zinc/73/74/18/942737418.db2.gz BLVJTNWGWFIIII-AZUAARDMSA-N 1 0 367.436 3.547 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000502795477 942748561 /nfs/dbraw/zinc/74/85/61/942748561.db2.gz LGUKZMYQTBHDQZ-INIZCTEOSA-N 1 0 368.308 3.930 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000514106446 942749581 /nfs/dbraw/zinc/74/95/81/942749581.db2.gz YKOZPXVAXKAXJK-UHFFFAOYSA-N 1 0 361.482 3.814 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000378425174 942750075 /nfs/dbraw/zinc/75/00/75/942750075.db2.gz SRMUKWGAOREJQB-NHCUHLMSSA-N 1 0 374.488 3.651 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000414547361 942763619 /nfs/dbraw/zinc/76/36/19/942763619.db2.gz ZGLKCQYFNOYRCR-QFIPXVFZSA-N 1 0 367.489 3.871 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)C12CCCCC2 ZINC000502827370 942781712 /nfs/dbraw/zinc/78/17/12/942781712.db2.gz NCPPXJABAMXUAE-JKSUJKDBSA-N 1 0 361.511 3.666 20 30 FHEDRO CSc1ccccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378476118 942804942 /nfs/dbraw/zinc/80/49/42/942804942.db2.gz OEHNPRFJPFEGKR-UHFFFAOYSA-N 1 0 365.502 3.697 20 30 FHEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000378475756 942804956 /nfs/dbraw/zinc/80/49/56/942804956.db2.gz PFZWUAXFSOTJLI-UIFIKXQLSA-N 1 0 357.498 3.670 20 30 FHEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000514238468 942853238 /nfs/dbraw/zinc/85/32/38/942853238.db2.gz SGPVCDGCEYIDLE-QGZVFWFLSA-N 1 0 365.477 3.597 20 30 FHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000378528363 942865221 /nfs/dbraw/zinc/86/52/21/942865221.db2.gz SUAYQCIOXUPHNU-UZLBHIALSA-N 1 0 369.852 3.518 20 30 FHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000378528361 942865590 /nfs/dbraw/zinc/86/55/90/942865590.db2.gz SUAYQCIOXUPHNU-OXJNMPFZSA-N 1 0 369.852 3.518 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NCCCc2ccc(Cl)cc2Cl)CC1 ZINC000472995455 942877724 /nfs/dbraw/zinc/87/77/24/942877724.db2.gz APBRTJUQUXMQNF-UHFFFAOYSA-N 1 0 370.324 3.876 20 30 FHEDRO CN(CCC#N)C(=O)CC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000505496041 942915918 /nfs/dbraw/zinc/91/59/18/942915918.db2.gz QDKIKBGZBGDTLI-UHFFFAOYSA-N 1 0 367.415 3.826 20 30 FHEDRO CN(CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000505539785 942989330 /nfs/dbraw/zinc/98/93/30/942989330.db2.gz JIHYFRLDRJWVSZ-INIZCTEOSA-N 1 0 362.260 3.806 20 30 FHEDRO C[C@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)[NH+]1CCCCCC1 ZINC000505541094 942990563 /nfs/dbraw/zinc/99/05/63/942990563.db2.gz VGNMLLQGXZQBAO-DOMZBBRYSA-N 1 0 354.281 3.939 20 30 FHEDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000434868852 943019311 /nfs/dbraw/zinc/01/93/11/943019311.db2.gz KYKLJRPSYMGFRS-KDOFPFPSSA-N 1 0 369.490 3.863 20 30 FHEDRO COCC[N@H+](C)CC[C@H](Nc1ncc2c(c1C#N)CCC2)c1ccccc1 ZINC000425230466 943021344 /nfs/dbraw/zinc/02/13/44/943021344.db2.gz SSZFZVQFUDZTOI-NRFANRHFSA-N 1 0 364.493 3.563 20 30 FHEDRO CC1(C)CC(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC(C)(C)[NH2+]1 ZINC000416677527 943030848 /nfs/dbraw/zinc/03/08/48/943030848.db2.gz FHDYADWECQJSFS-SFHVURJKSA-N 1 0 354.498 3.544 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416699682 943050200 /nfs/dbraw/zinc/05/02/00/943050200.db2.gz YTAANUNHGPYWLY-DYESRHJHSA-N 1 0 368.525 3.889 20 30 FHEDRO COc1ccc(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1OCCCC#N ZINC000271789874 943050847 /nfs/dbraw/zinc/05/08/47/943050847.db2.gz GKWSYVMHPPWPNK-QGZVFWFLSA-N 1 0 360.498 3.656 20 30 FHEDRO COc1cc([C@@H](C)[NH2+]CCCSCC#N)ccc1OCc1ccncc1 ZINC000271839544 943059119 /nfs/dbraw/zinc/05/91/19/943059119.db2.gz YHNCIJSFLSKTEG-MRXNPFEDSA-N 1 0 371.506 3.967 20 30 FHEDRO C[C@H](c1ccsc1)N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000184974160 943076944 /nfs/dbraw/zinc/07/69/44/943076944.db2.gz AELSOSYUFGTKHO-GOSISDBHSA-N 1 0 368.550 3.977 20 30 FHEDRO C=CCc1cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)cc(OC)c1O ZINC000434989325 943089123 /nfs/dbraw/zinc/08/91/23/943089123.db2.gz CBMCXKHCVSHAAQ-FQEVSTJZSA-N 1 0 352.478 3.618 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)cc1 ZINC000503272700 943094627 /nfs/dbraw/zinc/09/46/27/943094627.db2.gz RYITWTQYSGTZGZ-GOSISDBHSA-N 1 0 362.267 3.837 20 30 FHEDRO N#Cc1cccc(C2(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)CC2)c1 ZINC000435023463 943102432 /nfs/dbraw/zinc/10/24/32/943102432.db2.gz KLKSDHLGZPZKTR-HXUWFJFHSA-N 1 0 365.521 3.704 20 30 FHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000505589717 943102727 /nfs/dbraw/zinc/10/27/27/943102727.db2.gz APBBGEBTOPEUBR-HRAATJIYSA-N 1 0 368.477 3.681 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(c3ccnn3CC)CC2)cc1OC ZINC000435040414 943106193 /nfs/dbraw/zinc/10/61/93/943106193.db2.gz LLSJTQRFECZOGM-UHFFFAOYSA-N 1 0 355.482 3.856 20 30 FHEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000435042832 943109812 /nfs/dbraw/zinc/10/98/12/943109812.db2.gz WXZBMPIOBXODDB-AYBZRNKSSA-N 1 0 365.502 3.678 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000514565253 943112945 /nfs/dbraw/zinc/11/29/45/943112945.db2.gz DDYCZBYWNZAFJJ-UHFFFAOYSA-N 1 0 355.935 3.974 20 30 FHEDRO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272222071 943116462 /nfs/dbraw/zinc/11/64/62/943116462.db2.gz CFCLKMOOUVIBFP-YLJYHZDGSA-N 1 0 362.477 3.785 20 30 FHEDRO C=CCOC(=O)[C@@H](Nc1ccc(COC2CC[NH2+]CC2)cc1)[C@@H](C)CC ZINC001167957342 943125462 /nfs/dbraw/zinc/12/54/62/943125462.db2.gz HYCDZQNVBXZULD-JXFKEZNVSA-N 1 0 360.498 3.511 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnccc1C(F)(F)F)C(C)C ZINC000514614477 943149403 /nfs/dbraw/zinc/14/94/03/943149403.db2.gz VGIRNPKDHKGAHK-INIZCTEOSA-N 1 0 355.404 3.529 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC(C)(C#N)CC2)c2cccs2)CC1 ZINC000272416201 943152392 /nfs/dbraw/zinc/15/23/92/943152392.db2.gz MLXCPKGERZSDJZ-QGZVFWFLSA-N 1 0 374.554 3.856 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])cnc1S[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425274993 943161674 /nfs/dbraw/zinc/16/16/74/943161674.db2.gz BFLCNZWQDHAPAL-KRWDZBQOSA-N 1 0 354.435 3.618 20 30 FHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422557923 943180089 /nfs/dbraw/zinc/18/00/89/943180089.db2.gz MCTJHPUXOWXHEK-UHFFFAOYSA-N 1 0 366.465 3.695 20 30 FHEDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435132547 943185635 /nfs/dbraw/zinc/18/56/35/943185635.db2.gz KBYULEJUEACJJV-OALUTQOASA-N 1 0 369.538 3.965 20 30 FHEDRO C#CCOc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000236687102 943194952 /nfs/dbraw/zinc/19/49/52/943194952.db2.gz NBDJCKNMSPQGLJ-NOTZXAQLSA-N 1 0 360.501 3.984 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000435160475 943216038 /nfs/dbraw/zinc/21/60/38/943216038.db2.gz HYIZGNGUKNAIMW-KDOFPFPSSA-N 1 0 352.413 3.654 20 30 FHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCCC#N)cc1 ZINC000273004287 943259012 /nfs/dbraw/zinc/25/90/12/943259012.db2.gz ADEMKHXZDQHFBG-UHFFFAOYSA-N 1 0 350.466 3.518 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@]2(C)Cc2ccccc2F)CC1 ZINC000645265809 943263063 /nfs/dbraw/zinc/26/30/63/943263063.db2.gz HTFDCKBVYTVXEO-OAQYLSRUSA-N 1 0 359.489 3.583 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000273075579 943269564 /nfs/dbraw/zinc/26/95/64/943269564.db2.gz PJNZGBBSBLCURC-VOBQZIQPSA-N 1 0 373.522 3.567 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273075582 943269843 /nfs/dbraw/zinc/26/98/43/943269843.db2.gz PJNZGBBSBLCURC-XMCHAPAWSA-N 1 0 373.522 3.567 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000664333745 943357886 /nfs/dbraw/zinc/35/78/86/943357886.db2.gz RJJVRMNZDPQNCH-SFHVURJKSA-N 1 0 356.514 3.567 20 30 FHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000423048131 943368431 /nfs/dbraw/zinc/36/84/31/943368431.db2.gz IEYQSXXLKIUTJI-FQEVSTJZSA-N 1 0 369.509 3.737 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000435382869 943371509 /nfs/dbraw/zinc/37/15/09/943371509.db2.gz CQRRUXNGSVEKEU-QGZVFWFLSA-N 1 0 357.479 3.724 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000431924709 943382378 /nfs/dbraw/zinc/38/23/78/943382378.db2.gz KRPIKBVWWQLPLW-HXUWFJFHSA-N 1 0 354.498 3.761 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000503912145 943417130 /nfs/dbraw/zinc/41/71/30/943417130.db2.gz RQNAQEOELPJZRX-ZJVMWOEPSA-N 1 0 353.510 3.914 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000435502343 943458762 /nfs/dbraw/zinc/45/87/62/943458762.db2.gz QTYUSUFHIPZLQC-RBUKOAKNSA-N 1 0 365.562 3.652 20 30 FHEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000504005298 943462629 /nfs/dbraw/zinc/46/26/29/943462629.db2.gz ZNCZJIPZJQSJAS-CQSZACIVSA-N 1 0 360.383 3.855 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000425393568 943478998 /nfs/dbraw/zinc/47/89/98/943478998.db2.gz JKQHBHWPSABHAM-INIZCTEOSA-N 1 0 350.466 3.522 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)cc1C#N ZINC000435547387 943480441 /nfs/dbraw/zinc/48/04/41/943480441.db2.gz FHNUWTVQVFTCDZ-UHFFFAOYSA-N 1 0 358.486 3.779 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(CCC#N)CC2)[C@@H]1c1cccs1 ZINC000584717698 943480571 /nfs/dbraw/zinc/48/05/71/943480571.db2.gz JTKMKGRXOPCRCY-PKOBYXMFSA-N 1 0 374.554 3.856 20 30 FHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)C1 ZINC000582106035 943552723 /nfs/dbraw/zinc/55/27/23/943552723.db2.gz VDTDONRNKWYJMQ-ONZODILHSA-N 1 0 366.436 3.859 20 30 FHEDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417383178 943561016 /nfs/dbraw/zinc/56/10/16/943561016.db2.gz JXPBGMQSENYVAD-QVKFZJNVSA-N 1 0 363.461 3.951 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000435728655 943572446 /nfs/dbraw/zinc/57/24/46/943572446.db2.gz OTHPJRVLCJBSOG-KBXCAEBGSA-N 1 0 358.463 3.610 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000435748029 943582765 /nfs/dbraw/zinc/58/27/65/943582765.db2.gz MGCUDLZEROVWKR-YVEFUNNKSA-N 1 0 370.287 3.537 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cncnc1-c1ccccc1)C(C)C ZINC000515257122 943606733 /nfs/dbraw/zinc/60/67/33/943606733.db2.gz RXIGISWTAFIPBO-FQEVSTJZSA-N 1 0 364.493 3.572 20 30 FHEDRO Cc1ccc(CN(CCc2ccccc2)C(=O)[C@@H]([NH3+])CCCC#N)s1 ZINC000424068428 943707033 /nfs/dbraw/zinc/70/70/33/943707033.db2.gz SACAZIJEFBURFT-IBGZPJMESA-N 1 0 355.507 3.649 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000424062470 943715959 /nfs/dbraw/zinc/71/59/59/943715959.db2.gz LAFMPQITBYLCNB-KRWDZBQOSA-N 1 0 373.403 3.838 20 30 FHEDRO COc1ccccc1Oc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1F ZINC000424108562 943734333 /nfs/dbraw/zinc/73/43/33/943734333.db2.gz XJIPCKZNGVMSMS-OAHLLOKOSA-N 1 0 357.385 3.586 20 30 FHEDRO COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424117545 943740363 /nfs/dbraw/zinc/74/03/63/943740363.db2.gz CKYQCLFVXBWCPS-UZLBHIALSA-N 1 0 365.477 3.903 20 30 FHEDRO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424117541 943740492 /nfs/dbraw/zinc/74/04/92/943740492.db2.gz CKYQCLFVXBWCPS-OXJNMPFZSA-N 1 0 365.477 3.903 20 30 FHEDRO Cc1cccc(COc2ccc([C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N)cc2)c1 ZINC000424117941 943740913 /nfs/dbraw/zinc/74/09/13/943740913.db2.gz ZJWNLJXNGOTFQR-DYESRHJHSA-N 1 0 365.477 3.772 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000424130800 943758713 /nfs/dbraw/zinc/75/87/13/943758713.db2.gz HYDMWIIEDACMAW-QGZVFWFLSA-N 1 0 356.857 3.912 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000424177884 943762444 /nfs/dbraw/zinc/76/24/44/943762444.db2.gz VISBKVPTASKBIG-ZFWWWQNUSA-N 1 0 370.287 3.537 20 30 FHEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000516873880 943784703 /nfs/dbraw/zinc/78/47/03/943784703.db2.gz UZGVWCKPHOUTJV-UHFFFAOYSA-N 1 0 369.488 3.501 20 30 FHEDRO C=CCc1cc(C[N@H+](CC)Cc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000506050445 943813741 /nfs/dbraw/zinc/81/37/41/943813741.db2.gz AWUQXBLNBVZTJG-UHFFFAOYSA-N 1 0 355.434 3.880 20 30 FHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(C#N)c(C)c3)CCN2C2CC2)c1 ZINC000549476624 943817584 /nfs/dbraw/zinc/81/75/84/943817584.db2.gz FZAAWKFILGDAEJ-DHIUTWEWSA-N 1 0 361.489 3.943 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1I ZINC000424293083 943823054 /nfs/dbraw/zinc/82/30/54/943823054.db2.gz HZBRBOKXXPYJGA-HUBLWGQQSA-N 1 0 357.235 3.533 20 30 FHEDRO C=C[C@@H]1OCCC[C@H]1c1nc(-c2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000424348975 943856905 /nfs/dbraw/zinc/85/69/05/943856905.db2.gz PRGOGQSLFTVERH-MOPGFXCFSA-N 1 0 369.465 3.660 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000506061535 943871491 /nfs/dbraw/zinc/87/14/91/943871491.db2.gz NSLBDIKBFIHMDP-SFTDATJTSA-N 1 0 367.489 3.653 20 30 FHEDRO C=CCCCC(=O)N(CC[NH+](CC)CC)c1ccc(Br)cn1 ZINC000516972617 943872571 /nfs/dbraw/zinc/87/25/71/943872571.db2.gz CWIWSIAOMLEUQA-UHFFFAOYSA-N 1 0 368.319 3.875 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000437545351 943917995 /nfs/dbraw/zinc/91/79/95/943917995.db2.gz GOXBRRXCUBMILG-YJBOKZPZSA-N 1 0 353.466 3.955 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000437545348 943918023 /nfs/dbraw/zinc/91/80/23/943918023.db2.gz GOXBRRXCUBMILG-MAUKXSAKSA-N 1 0 353.466 3.955 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000437545350 943918248 /nfs/dbraw/zinc/91/82/48/943918248.db2.gz GOXBRRXCUBMILG-QAPCUYQASA-N 1 0 353.466 3.955 20 30 FHEDRO C[C@@H]1C[C@H](Nc2c(C#N)cnc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000584502662 943928151 /nfs/dbraw/zinc/92/81/51/943928151.db2.gz POKKUGBOAPZKFB-YPMHNXCESA-N 1 0 371.282 3.906 20 30 FHEDRO C[C@H]1C[C@H](CCNc2nccc(C#N)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511641562 943929106 /nfs/dbraw/zinc/92/91/06/943929106.db2.gz CFGNPFFXAJOARR-RDJZCZTQSA-N 1 0 365.437 3.574 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2C(C)C)CC1 ZINC000424651612 944035305 /nfs/dbraw/zinc/03/53/05/944035305.db2.gz PFTDBARUSVQGMI-UHFFFAOYSA-N 1 0 366.509 3.766 20 30 FHEDRO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417984217 944037704 /nfs/dbraw/zinc/03/77/04/944037704.db2.gz CXWZVUWKWXOZSY-HRAATJIYSA-N 1 0 362.477 3.680 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000436135008 944047126 /nfs/dbraw/zinc/04/71/26/944047126.db2.gz FAQSNWDKZZGYMD-HOTGVXAUSA-N 1 0 365.477 3.868 20 30 FHEDRO C[C@@H](NC(=O)NC1(C)CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417997936 944047979 /nfs/dbraw/zinc/04/79/79/944047979.db2.gz SFRZXKHPPKJDEE-MRXNPFEDSA-N 1 0 362.477 3.728 20 30 FHEDRO C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418002337 944050407 /nfs/dbraw/zinc/05/04/07/944050407.db2.gz XJVLJRFJDQWGOK-CVEARBPZSA-N 1 0 350.466 3.713 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000437735232 944065177 /nfs/dbraw/zinc/06/51/77/944065177.db2.gz SBOIFAHFBPQRBF-RUCARUNLSA-N 1 0 361.917 3.926 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccc(F)c(F)c1 ZINC000418030783 944077402 /nfs/dbraw/zinc/07/74/02/944077402.db2.gz NERPLIQJCFCJDO-GOSISDBHSA-N 1 0 363.452 3.757 20 30 FHEDRO C=CCn1c(SCCC[NH+]2CCCC2)nnc1-c1cccc(OC)c1 ZINC000436186218 944080408 /nfs/dbraw/zinc/08/04/08/944080408.db2.gz INVNRVLSOYRJTM-UHFFFAOYSA-N 1 0 358.511 3.718 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000517190965 944087063 /nfs/dbraw/zinc/08/70/63/944087063.db2.gz AELITSBZGFZVFI-MJUUVYJYSA-N 1 0 356.510 3.516 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)c2cccs2)CC1 ZINC000517218147 944111998 /nfs/dbraw/zinc/11/19/98/944111998.db2.gz DCDDMCCYYLQMAB-BZSNNMDCSA-N 1 0 374.554 3.903 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000425491126 944123427 /nfs/dbraw/zinc/12/34/27/944123427.db2.gz LYCSDSCPWVFFNR-INIZCTEOSA-N 1 0 354.498 3.668 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000425491251 944123502 /nfs/dbraw/zinc/12/35/02/944123502.db2.gz LYCSDSCPWVFFNR-MRXNPFEDSA-N 1 0 354.498 3.668 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1OC ZINC000437832848 944143698 /nfs/dbraw/zinc/14/36/98/944143698.db2.gz ISGOYOOTUPHKAD-LJQANCHMSA-N 1 0 372.509 3.787 20 30 FHEDRO COC(=O)[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H]1c1ccc(F)cc1F ZINC000425508235 944157228 /nfs/dbraw/zinc/15/72/28/944157228.db2.gz IPKMETXRHXFUIX-DLBZAZTESA-N 1 0 364.436 3.873 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 ZINC000515744643 944163613 /nfs/dbraw/zinc/16/36/13/944163613.db2.gz HGEQFINEQUNQAD-HXUWFJFHSA-N 1 0 369.440 3.541 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 ZINC000515744640 944163797 /nfs/dbraw/zinc/16/37/97/944163797.db2.gz HGEQFINEQUNQAD-FQEVSTJZSA-N 1 0 369.440 3.541 20 30 FHEDRO N#CCSc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000437837585 944169947 /nfs/dbraw/zinc/16/99/47/944169947.db2.gz JPQXWHYAHVYHBL-SFHVURJKSA-N 1 0 357.523 3.829 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]([NH3+])C2CC2)cc1Cl ZINC000414915782 944183442 /nfs/dbraw/zinc/18/34/42/944183442.db2.gz ZVIKQBUXYQTRAY-IEBWSBKVSA-N 1 0 368.868 3.854 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000436304660 944186892 /nfs/dbraw/zinc/18/68/92/944186892.db2.gz YMLYRSLTASOZFD-DOXZYTNZSA-N 1 0 350.890 3.936 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1I ZINC000436307128 944190336 /nfs/dbraw/zinc/19/03/36/944190336.db2.gz JYRPRNSXHCPXGB-ZENOOKHLSA-N 1 0 371.262 3.923 20 30 FHEDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@H]1c1ccc(F)cc1F ZINC000425515530 944196959 /nfs/dbraw/zinc/19/69/59/944196959.db2.gz XIVREPJJOHVLOB-ZNZDAUKMSA-N 1 0 370.399 3.786 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000517341263 944219287 /nfs/dbraw/zinc/21/92/87/944219287.db2.gz JXWYSALUIAJNNI-FPOVZHCZSA-N 1 0 355.526 3.738 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000436383291 944252570 /nfs/dbraw/zinc/25/25/70/944252570.db2.gz CXHVOBFHTYSACD-QGZVFWFLSA-N 1 0 365.477 3.849 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000473702874 944255372 /nfs/dbraw/zinc/25/53/72/944255372.db2.gz XHMCCKHPPPBUQB-JOCHJYFZSA-N 1 0 358.526 3.764 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000425529718 944263030 /nfs/dbraw/zinc/26/30/30/944263030.db2.gz CPCOJABRBLBROF-KXBFYZLASA-N 1 0 358.869 3.782 20 30 FHEDRO CCOc1ccccc1NC(=O)CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425529036 944265663 /nfs/dbraw/zinc/26/56/63/944265663.db2.gz AJZGCYORLKXAQZ-MRXNPFEDSA-N 1 0 351.450 3.979 20 30 FHEDRO CCC[N@H+](C)[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000425549124 944302496 /nfs/dbraw/zinc/30/24/96/944302496.db2.gz NPETVSDJQNDMNC-QGTPRVQTSA-N 1 0 362.905 3.714 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@@H+]1C ZINC000438062001 944321638 /nfs/dbraw/zinc/32/16/38/944321638.db2.gz VQSDCSSPMCRVDF-QAPCUYQASA-N 1 0 364.449 3.955 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(OC(F)F)c1 ZINC000425556417 944332432 /nfs/dbraw/zinc/33/24/32/944332432.db2.gz TWIUMEHQTMKBSO-SFHVURJKSA-N 1 0 362.420 3.941 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cccc([C@@H](C#N)C(=O)OC(C)(C)C)n1 ZINC001167750874 944334698 /nfs/dbraw/zinc/33/46/98/944334698.db2.gz FDRXAKNCSJMMEJ-IAGOWNOFSA-N 1 0 372.513 3.707 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000506484597 944344057 /nfs/dbraw/zinc/34/40/57/944344057.db2.gz YSNGOSVEUBHEAM-OALUTQOASA-N 1 0 350.510 3.897 20 30 FHEDRO C=CCNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc(CC)cc1 ZINC000123562562 944378316 /nfs/dbraw/zinc/37/83/16/944378316.db2.gz UQGGFAIKIGXLEM-UHFFFAOYSA-O 1 0 359.902 3.904 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)c2cccc(CC#N)c2)c2ccccc2)CC1 ZINC000515983543 944394990 /nfs/dbraw/zinc/39/49/90/944394990.db2.gz VXKUEPSBDNEXQF-JOCHJYFZSA-N 1 0 361.489 3.956 20 30 FHEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000418340702 944426203 /nfs/dbraw/zinc/42/62/03/944426203.db2.gz CLOWAOCFKTXSQR-HXUWFJFHSA-N 1 0 362.477 3.670 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccnc2Nc2ccccc2F)CC1 ZINC000518496123 944441778 /nfs/dbraw/zinc/44/17/78/944441778.db2.gz KDSCVXAXELHKCC-UHFFFAOYSA-N 1 0 368.456 3.735 20 30 FHEDRO N#Cc1cccc(OC2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)c1 ZINC000729467100 944447626 /nfs/dbraw/zinc/44/76/26/944447626.db2.gz LJCQTPPRQMRKGR-UHFFFAOYSA-N 1 0 359.429 3.855 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc3ccccc3c2)CC1 ZINC000518510840 944455094 /nfs/dbraw/zinc/45/50/94/944455094.db2.gz DOOQBIXAHOZHFF-UHFFFAOYSA-N 1 0 351.494 3.722 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000517630518 944465046 /nfs/dbraw/zinc/46/50/46/944465046.db2.gz IBHFAVLHSKZICS-GOSISDBHSA-N 1 0 354.837 3.802 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000566652216 944475241 /nfs/dbraw/zinc/47/52/41/944475241.db2.gz VNNZXELEYTVUPV-SFHVURJKSA-N 1 0 364.449 3.815 20 30 FHEDRO C[C@H](CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000544271541 944485876 /nfs/dbraw/zinc/48/58/76/944485876.db2.gz BZJAUKOLOYNVNM-CYBMUJFWSA-N 1 0 368.403 3.963 20 30 FHEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000517663767 944488266 /nfs/dbraw/zinc/48/82/66/944488266.db2.gz JVHODTNHBGPIHK-IBGZPJMESA-N 1 0 363.461 3.759 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)c1cccs1 ZINC000517664228 944488419 /nfs/dbraw/zinc/48/84/19/944488419.db2.gz PYEPNQSCQDOZRU-GOSISDBHSA-N 1 0 371.506 3.588 20 30 FHEDRO C=CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H](C)COC ZINC000664841598 944492305 /nfs/dbraw/zinc/49/23/05/944492305.db2.gz RNEJSUFZVVNIBQ-ICSRJNTNSA-N 1 0 373.541 3.520 20 30 FHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000092802509 944495656 /nfs/dbraw/zinc/49/56/56/944495656.db2.gz OLWJIQKJDPDRIU-INIZCTEOSA-N 1 0 356.495 3.585 20 30 FHEDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000053644135 944504954 /nfs/dbraw/zinc/50/49/54/944504954.db2.gz MHZRDBFYRGWOEM-ICSRJNTNSA-N 1 0 356.441 3.814 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000518581847 944506835 /nfs/dbraw/zinc/50/68/35/944506835.db2.gz RNLNRXUCGLSQDQ-RHSMWYFYSA-N 1 0 353.491 3.780 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000660394206 944546548 /nfs/dbraw/zinc/54/65/48/944546548.db2.gz ZHMWIADRUYGFRO-BGYRXZFFSA-N 1 0 371.525 3.800 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000390624371 944580386 /nfs/dbraw/zinc/58/03/86/944580386.db2.gz HPCJHTPLIWRPPK-HSZRJFAPSA-N 1 0 366.505 3.632 20 30 FHEDRO C=CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2O)CC1)c1ccco1 ZINC000436746355 944586291 /nfs/dbraw/zinc/58/62/91/944586291.db2.gz YHKOOUAIFWUTJZ-GOSISDBHSA-N 1 0 354.450 3.887 20 30 FHEDRO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000439422177 944594210 /nfs/dbraw/zinc/59/42/10/944594210.db2.gz MKPZAHZLYJIMSD-IYBDPMFKSA-N 1 0 361.917 3.533 20 30 FHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000516242587 944611460 /nfs/dbraw/zinc/61/14/60/944611460.db2.gz QUJHRAXZPPUKLN-KZNAEPCWSA-N 1 0 361.505 3.890 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(CCc3ccccc3)ccc2O)CC1 ZINC000436767066 944617363 /nfs/dbraw/zinc/61/73/63/944617363.db2.gz FXEABZIRVZRMPR-UHFFFAOYSA-N 1 0 364.489 3.558 20 30 FHEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000439451657 944633840 /nfs/dbraw/zinc/63/38/40/944633840.db2.gz LMCOLHAGQJVMSZ-UHFFFAOYSA-N 1 0 354.376 3.527 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418461803 944634128 /nfs/dbraw/zinc/63/41/28/944634128.db2.gz MNDXWCMBASONMM-INIZCTEOSA-N 1 0 353.466 3.613 20 30 FHEDRO COc1ccccc1/C=C\C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438468214 944652915 /nfs/dbraw/zinc/65/29/15/944652915.db2.gz CUGNSNGFIUEQLI-DAXSKMNVSA-N 1 0 363.461 3.955 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000438469930 944653292 /nfs/dbraw/zinc/65/32/92/944653292.db2.gz HDELHZPAPVEWKN-UHFFFAOYSA-N 1 0 363.461 3.998 20 30 FHEDRO C=CCOc1ccccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506248630 944668949 /nfs/dbraw/zinc/66/89/49/944668949.db2.gz XOCLWPRNLBFKFX-UHFFFAOYSA-N 1 0 361.489 3.831 20 30 FHEDRO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCOCc2ccccc2)c(C#N)c1C ZINC000439479144 944680512 /nfs/dbraw/zinc/68/05/12/944680512.db2.gz SGVAYMDUXOKATK-INIZCTEOSA-N 1 0 369.465 3.634 20 30 FHEDRO CC[NH+](CC)[C@H](C/N=C/c1cc(OC)ccc1O)c1cccc(OC)c1 ZINC000017701184 944681651 /nfs/dbraw/zinc/68/16/51/944681651.db2.gz HKOJXPUARIHYNJ-YRXLECQKSA-N 1 0 356.466 3.911 20 30 FHEDRO CSCCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000439483194 944686029 /nfs/dbraw/zinc/68/60/29/944686029.db2.gz GIWIHSKQJVQURK-ZDUSSCGKSA-N 1 0 365.568 3.901 20 30 FHEDRO C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000518735276 944687523 /nfs/dbraw/zinc/68/75/23/944687523.db2.gz FUZDVVCQQWPMQT-WIYYLYMNSA-N 1 0 353.510 3.809 20 30 FHEDRO CN(c1ccc(C#N)cc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000500398721 944770743 /nfs/dbraw/zinc/77/07/43/944770743.db2.gz NOENJUDDXZFCQX-UHFFFAOYSA-N 1 0 350.422 3.567 20 30 FHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000499869702 944778428 /nfs/dbraw/zinc/77/84/28/944778428.db2.gz XHXOLVPDPTYQKZ-NWDGAFQWSA-N 1 0 354.376 3.523 20 30 FHEDRO CC(C)[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCCCC1 ZINC000517893967 944804725 /nfs/dbraw/zinc/80/47/25/944804725.db2.gz ZKNHZEKNAYRSHS-JOCHJYFZSA-N 1 0 361.489 3.930 20 30 FHEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000507018823 944866478 /nfs/dbraw/zinc/86/64/78/944866478.db2.gz AARJIFHGTPARIX-FQEVSTJZSA-N 1 0 353.441 3.691 20 30 FHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000438641342 944876547 /nfs/dbraw/zinc/87/65/47/944876547.db2.gz LSJXCOGNMLOCAR-ZDUSSCGKSA-N 1 0 368.403 3.821 20 30 FHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000438641341 944876819 /nfs/dbraw/zinc/87/68/19/944876819.db2.gz LSJXCOGNMLOCAR-CYBMUJFWSA-N 1 0 368.403 3.821 20 30 FHEDRO FC(F)(F)c1ccc(C#CCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000426466625 944883492 /nfs/dbraw/zinc/88/34/92/944883492.db2.gz DHNUTBLFYYVEJU-GOSISDBHSA-N 1 0 350.428 3.865 20 30 FHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438647990 944889960 /nfs/dbraw/zinc/88/99/60/944889960.db2.gz PPPWKWUODRLUKD-STQMWFEESA-N 1 0 368.403 3.819 20 30 FHEDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438665688 944908860 /nfs/dbraw/zinc/90/88/60/944908860.db2.gz FHFXLQJDOLJVRI-UHFFFAOYSA-N 1 0 370.428 3.951 20 30 FHEDRO CC[C@](C)(C#N)C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505924023 944919935 /nfs/dbraw/zinc/91/99/35/944919935.db2.gz ZUHWCRUFZRIMIA-GOSISDBHSA-N 1 0 367.415 3.680 20 30 FHEDRO CCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cccc(=O)[nH]1)C2 ZINC001270164015 944953865 /nfs/dbraw/zinc/95/38/65/944953865.db2.gz MUCFXQYYBGGBJI-UHFFFAOYSA-N 1 0 359.514 3.572 20 30 FHEDRO CCCCCCCCC(=O)N1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001270163253 944967097 /nfs/dbraw/zinc/96/70/97/944967097.db2.gz AGMPZOCPFHPPAO-OAQYLSRUSA-N 1 0 360.546 3.975 20 30 FHEDRO N#Cc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(Cl)c1 ZINC000426152928 945021720 /nfs/dbraw/zinc/02/17/20/945021720.db2.gz IVIQENKIRFDBQA-MRXNPFEDSA-N 1 0 358.829 3.763 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000426155577 945041662 /nfs/dbraw/zinc/04/16/62/945041662.db2.gz YSHQSRJDGJDJPH-QGZVFWFLSA-N 1 0 368.868 3.998 20 30 FHEDRO C=CCc1cc(C[NH+]2CCC(Nc3nc(C)cs3)CC2)cc(OC)c1O ZINC000473070823 945046529 /nfs/dbraw/zinc/04/65/29/945046529.db2.gz GBQGGAJVZJLBLS-UHFFFAOYSA-N 1 0 373.522 3.971 20 30 FHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000426162399 945054407 /nfs/dbraw/zinc/05/44/07/945054407.db2.gz PNMVLZJCHQJLIU-AWEZNQCLSA-N 1 0 368.868 3.780 20 30 FHEDRO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C[C@@H]1CCCCO1 ZINC000440305441 945389699 /nfs/dbraw/zinc/38/96/99/945389699.db2.gz KASSELFVWTYNAL-FQEVSTJZSA-N 1 0 371.525 3.831 20 30 FHEDRO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)cc1 ZINC000330215449 945406685 /nfs/dbraw/zinc/40/66/85/945406685.db2.gz MJZHCYGRCSTCJP-NLWGTHIKSA-N 1 0 371.525 3.530 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1C ZINC000330247924 945422470 /nfs/dbraw/zinc/42/24/70/945422470.db2.gz LYLXKNNSMFSCRV-KRWDZBQOSA-N 1 0 359.470 3.540 20 30 FHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C ZINC000330266731 945433702 /nfs/dbraw/zinc/43/37/02/945433702.db2.gz QBKQWOUQVWBLCZ-QLFBSQMISA-N 1 0 358.486 3.538 20 30 FHEDRO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000330266958 945434095 /nfs/dbraw/zinc/43/40/95/945434095.db2.gz HWPWYLZGRWSSGB-AWEZNQCLSA-N 1 0 351.516 3.525 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000507682901 945448527 /nfs/dbraw/zinc/44/85/27/945448527.db2.gz LCPVEJOUGHSXTL-UHFFFAOYSA-N 1 0 370.415 3.732 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000507699156 945463695 /nfs/dbraw/zinc/46/36/95/945463695.db2.gz RLQAJKNLVCSZIA-UHFFFAOYSA-N 1 0 358.526 3.576 20 30 FHEDRO CCCNC(=O)C1([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000440392034 945489740 /nfs/dbraw/zinc/48/97/40/945489740.db2.gz PWZNGEWDMQHEOM-UHFFFAOYSA-N 1 0 366.427 3.876 20 30 FHEDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1cccc(C#N)c1 ZINC000151387395 945494799 /nfs/dbraw/zinc/49/47/99/945494799.db2.gz VHWYSXZCHYLTSZ-OAHLLOKOSA-N 1 0 355.869 3.738 20 30 FHEDRO C[NH+]=C(NCC1(c2cccs2)CCCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000262014093 945497680 /nfs/dbraw/zinc/49/76/80/945497680.db2.gz XIMQROFUJYPKFA-LJQANCHMSA-N 1 0 361.555 3.638 20 30 FHEDRO COc1cccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000262017421 945520391 /nfs/dbraw/zinc/52/03/91/945520391.db2.gz WRQIVOKQRZXQBU-SNVBAGLBSA-N 1 0 353.253 3.563 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000664901470 945533019 /nfs/dbraw/zinc/53/30/19/945533019.db2.gz DIVRBODNLVDOJE-ZVDOUQERSA-N 1 0 371.525 3.969 20 30 FHEDRO C[C@@H](c1nc2ccccc2s1)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000053782345 945536368 /nfs/dbraw/zinc/53/63/68/945536368.db2.gz KVSBGDQXECSXMS-HOCLYGCPSA-N 1 0 367.474 3.601 20 30 FHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000330316294 945537568 /nfs/dbraw/zinc/53/75/68/945537568.db2.gz ZFVRMWNKBHUETD-NVXWUHKLSA-N 1 0 361.461 3.542 20 30 FHEDRO Cc1ccccc1C(=O)NC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000330315505 945537913 /nfs/dbraw/zinc/53/79/13/945537913.db2.gz YSUGAKFSGUGWLD-LJQANCHMSA-N 1 0 371.525 3.555 20 30 FHEDRO Cc1nn(C(C)C)cc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000281154206 945545529 /nfs/dbraw/zinc/54/55/29/945545529.db2.gz BDIMMPOAUPZIBB-UHFFFAOYSA-N 1 0 353.470 3.519 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2(CCO)CCC2)c1 ZINC000136534419 945549392 /nfs/dbraw/zinc/54/93/92/945549392.db2.gz USGUZCYDUUAFLN-UHFFFAOYSA-N 1 0 350.462 3.780 20 30 FHEDRO C[C@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000187744213 945580424 /nfs/dbraw/zinc/58/04/24/945580424.db2.gz IEYUUVFSXSJWCD-INIZCTEOSA-N 1 0 371.481 3.807 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000093107308 945587234 /nfs/dbraw/zinc/58/72/34/945587234.db2.gz DIRMDFIPWWHWGN-SFHVURJKSA-N 1 0 350.462 3.732 20 30 FHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000796649974 945591945 /nfs/dbraw/zinc/59/19/45/945591945.db2.gz JNEXFWIWFYVUFK-GJYPPUQNSA-N 1 0 373.497 3.713 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000550048151 945631976 /nfs/dbraw/zinc/63/19/76/945631976.db2.gz CHXJNRXWIZGCGT-WBVHZDCISA-N 1 0 357.523 3.999 20 30 FHEDRO N#Cc1ccc(OC2CCN(Cc3cnn(C4CCC4)c3)CC2)c(F)c1 ZINC000894422265 945633330 /nfs/dbraw/zinc/63/33/30/945633330.db2.gz IRYXERJOCUYZSJ-UHFFFAOYSA-N 1 0 354.429 3.662 20 30 FHEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000519664828 945638541 /nfs/dbraw/zinc/63/85/41/945638541.db2.gz YEILJILAFVPMSF-YJYMSZOUSA-N 1 0 354.841 3.725 20 30 FHEDRO Cc1cc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)ccc1C#N ZINC000443979678 945671021 /nfs/dbraw/zinc/67/10/21/945671021.db2.gz LCHRKZSUIJDRCD-OAQYLSRUSA-N 1 0 369.896 3.683 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(CC)cc1 ZINC000027311536 945693796 /nfs/dbraw/zinc/69/37/96/945693796.db2.gz MNKOLSLJKQGQRA-UHFFFAOYSA-O 1 0 369.510 3.650 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000443991898 945698404 /nfs/dbraw/zinc/69/84/04/945698404.db2.gz XFDDCDPRXMLKQD-INIZCTEOSA-N 1 0 365.395 3.610 20 30 FHEDRO N#C[C@@H](c1ccccc1)N1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000440612269 945707705 /nfs/dbraw/zinc/70/77/05/945707705.db2.gz KPBGCAHPECBZNB-QHCPKHFHSA-N 1 0 363.505 3.518 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc(CC)cc1 ZINC000027324343 945709089 /nfs/dbraw/zinc/70/90/89/945709089.db2.gz JJTKHGGXXVIPNU-UHFFFAOYSA-O 1 0 358.531 3.810 20 30 FHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)C1 ZINC000651698481 945719580 /nfs/dbraw/zinc/71/95/80/945719580.db2.gz SAROSYBNSWSULK-XLIONFOSSA-N 1 0 356.510 3.563 20 30 FHEDRO COc1ccc(C2([NH2+]Cc3ccc(C#N)cc3F)CCOCC2)cc1F ZINC000444013541 945724801 /nfs/dbraw/zinc/72/48/01/945724801.db2.gz YNZLQVFXTAKAGC-UHFFFAOYSA-N 1 0 358.388 3.641 20 30 FHEDRO N#CCCC[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000487456860 945731454 /nfs/dbraw/zinc/73/14/54/945731454.db2.gz WYNHTCPWEXBVFM-HXUWFJFHSA-N 1 0 369.509 3.573 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000661116250 945748556 /nfs/dbraw/zinc/74/85/56/945748556.db2.gz XGGFWZZVBJIOKK-IRLDBZIGSA-N 1 0 370.537 3.919 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000661116247 945748762 /nfs/dbraw/zinc/74/87/62/945748762.db2.gz XGGFWZZVBJIOKK-IFMALSPDSA-N 1 0 370.537 3.919 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000661117389 945749913 /nfs/dbraw/zinc/74/99/13/945749913.db2.gz QMRNTRKALYDOLJ-HZPDHXFCSA-N 1 0 357.523 3.680 20 30 FHEDRO [NH2+]=C(Nc1cccc(OC(F)(F)F)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000262378978 945836167 /nfs/dbraw/zinc/83/61/67/945836167.db2.gz NYSXXDTXWYVQGY-RBSFLKMASA-N 1 0 369.387 3.660 20 30 FHEDRO CC(C)C[N@H+](CC(=O)N1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000519908264 945876057 /nfs/dbraw/zinc/87/60/57/945876057.db2.gz PCZCZYWODDSCJQ-UHFFFAOYSA-N 1 0 361.489 3.996 20 30 FHEDRO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C#N)cc1)C2 ZINC001271562281 945883337 /nfs/dbraw/zinc/88/33/37/945883337.db2.gz PWITYCPPJYRICP-QFUCXCTJSA-N 1 0 353.510 3.921 20 30 FHEDRO Cc1cc(Cl)nc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000281853200 945886607 /nfs/dbraw/zinc/88/66/07/945886607.db2.gz BKNLSQSPPIAZCC-UHFFFAOYSA-N 1 0 366.856 3.505 20 30 FHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c(-c2ccncc2)n1 ZINC000281921420 945933633 /nfs/dbraw/zinc/93/36/33/945933633.db2.gz GWABISHNIUKFLX-HNNXBMFYSA-N 1 0 359.424 3.774 20 30 FHEDRO C=CCOc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000121301757 945953171 /nfs/dbraw/zinc/95/31/71/945953171.db2.gz JGDIGFVKQICWOQ-UHFFFAOYSA-N 1 0 352.478 3.720 20 30 FHEDRO C=CCn1c(CC2CC2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000508463819 945958552 /nfs/dbraw/zinc/95/85/52/945958552.db2.gz JDWWBAKNLYWENM-UHFFFAOYSA-N 1 0 365.525 3.517 20 30 FHEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281944415 945970292 /nfs/dbraw/zinc/97/02/92/945970292.db2.gz JCGVMEVKDHBTJI-IBGZPJMESA-N 1 0 366.509 3.910 20 30 FHEDRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC001126576759 946014405 /nfs/dbraw/zinc/01/44/05/946014405.db2.gz RXMLVGZXEBBYOQ-CHHLAKQQSA-N 1 0 359.473 3.867 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000440910555 946023213 /nfs/dbraw/zinc/02/32/13/946023213.db2.gz JDTLKEXNCMTXLH-OCCSQVGLSA-N 1 0 368.399 3.625 20 30 FHEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)C1 ZINC000661382179 946049190 /nfs/dbraw/zinc/04/91/90/946049190.db2.gz UBFIICRIABJQPY-IEBWSBKVSA-N 1 0 372.509 3.655 20 30 FHEDRO C=CC[C@H]1CCC[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000661380079 946052385 /nfs/dbraw/zinc/05/23/85/946052385.db2.gz DRHXWFPVKORDCV-LPHOPBHVSA-N 1 0 355.507 3.637 20 30 FHEDRO C[C@H](NC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(Cl)cc1Cl ZINC000262507249 946075571 /nfs/dbraw/zinc/07/55/71/946075571.db2.gz BQPJFECWTIRZOV-FFFUXKDYSA-N 1 0 356.297 3.772 20 30 FHEDRO Cc1ccc2c(c1)nc(CNC(=[NH2+])Nc1ccc(OC(C)C)cc1)n2C ZINC000262409099 946102108 /nfs/dbraw/zinc/10/21/08/946102108.db2.gz OYDFAVSRPXAMOE-UHFFFAOYSA-N 1 0 351.454 3.596 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000441112637 946221084 /nfs/dbraw/zinc/22/10/84/946221084.db2.gz LMNDJFZKVFCJGJ-JKSUJKDBSA-N 1 0 352.569 3.869 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2c3c(ccc2Cl)CC(C)(C)O3)CC1 ZINC000579189643 946247850 /nfs/dbraw/zinc/24/78/50/946247850.db2.gz FMPXMGIXLBVOFH-UHFFFAOYSA-N 1 0 363.889 3.825 20 30 FHEDRO CC(C)([NH2+]C[C@H](O)COc1ccc2ccccc2c1)c1cccc(C#N)c1 ZINC000595634914 946331954 /nfs/dbraw/zinc/33/19/54/946331954.db2.gz IHNBBCLHCBOKGV-NRFANRHFSA-N 1 0 360.457 3.976 20 30 FHEDRO N#CCCOCC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000549553800 946338168 /nfs/dbraw/zinc/33/81/68/946338168.db2.gz FXBICDJPJWMAFT-MRXNPFEDSA-N 1 0 355.251 3.949 20 30 FHEDRO C#Cc1ccc(C(=O)Nc2ccc3c(ccn3CC[NH+](CC)CC)c2)cn1 ZINC000728823986 946354881 /nfs/dbraw/zinc/35/48/81/946354881.db2.gz CBDOWGZTVXNTSZ-UHFFFAOYSA-N 1 0 360.461 3.612 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2cc(OC)c(Br)cc2Cl)CCC[NH2+]1 ZINC000662917694 946361288 /nfs/dbraw/zinc/36/12/88/946361288.db2.gz BZRCCMJBLWPOSK-OAHLLOKOSA-N 1 0 373.678 3.748 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441274242 946386837 /nfs/dbraw/zinc/38/68/37/946386837.db2.gz BQDZRXDFMOOFMJ-DLBZAZTESA-N 1 0 353.384 3.685 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000520312172 946401651 /nfs/dbraw/zinc/40/16/51/946401651.db2.gz OALOOUPBWDEZEY-KRWDZBQOSA-N 1 0 373.566 3.808 20 30 FHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1csc(-c2cccs2)n1 ZINC000121307457 946412947 /nfs/dbraw/zinc/41/29/47/946412947.db2.gz JSLPXUSHPSZRLY-CQSZACIVSA-N 1 0 362.520 3.691 20 30 FHEDRO Cc1cc(C#N)cc(C)c1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000896991565 946415348 /nfs/dbraw/zinc/41/53/48/946415348.db2.gz BIZHUOLLKIMEJM-QGZVFWFLSA-N 1 0 362.477 3.526 20 30 FHEDRO Cc1cc(C#N)cc(C)c1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000896991564 946415867 /nfs/dbraw/zinc/41/58/67/946415867.db2.gz BIZHUOLLKIMEJM-KRWDZBQOSA-N 1 0 362.477 3.526 20 30 FHEDRO CCCN(CCC[NH+](C)C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444417073 946462452 /nfs/dbraw/zinc/46/24/52/946462452.db2.gz YWPSHXIRGPIASL-UHFFFAOYSA-N 1 0 354.498 3.749 20 30 FHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N(C)Cc2cc(C#N)cs2)CC1 ZINC000893494573 946486037 /nfs/dbraw/zinc/48/60/37/946486037.db2.gz PDBWGVNTSKZVLX-UHFFFAOYSA-N 1 0 362.543 3.519 20 30 FHEDRO N#CC1CCC(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000441344431 946492907 /nfs/dbraw/zinc/49/29/07/946492907.db2.gz DBKLTJLYVSZJRA-UHFFFAOYSA-N 1 0 364.280 3.994 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H](CO)CC3CCC3)c2)c1 ZINC000475500599 946500088 /nfs/dbraw/zinc/50/00/88/946500088.db2.gz HDVUKNWFHYFZPI-OAQYLSRUSA-N 1 0 350.462 3.778 20 30 FHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](COCc4ccccc4)C3)o2)c1 ZINC000441350600 946503979 /nfs/dbraw/zinc/50/39/79/946503979.db2.gz BVIQYWKLEFWQKW-IBGZPJMESA-N 1 0 374.444 3.647 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)c1cc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000186132472 946507095 /nfs/dbraw/zinc/50/70/95/946507095.db2.gz FZLWPTFWHQPWAM-CQSZACIVSA-N 1 0 367.396 3.671 20 30 FHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCC(F)(F)F)sc2C1 ZINC000104677972 946509849 /nfs/dbraw/zinc/50/98/49/946509849.db2.gz AXXJNGYONKQECI-NSHDSACASA-N 1 0 373.444 3.957 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC)c(Cl)c1 ZINC000823915378 946517921 /nfs/dbraw/zinc/51/79/21/946517921.db2.gz WLPHGXXQLLJBCX-UHFFFAOYSA-N 1 0 369.856 3.717 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccccc1C#N)c1ccsc1 ZINC000029415139 946524087 /nfs/dbraw/zinc/52/40/87/946524087.db2.gz BXGJLTHHAYBSPT-YXBWYFRISA-N 1 0 353.491 3.832 20 30 FHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000840789407 946531692 /nfs/dbraw/zinc/53/16/92/946531692.db2.gz GGVNIEYLUJKLQW-MRXNPFEDSA-N 1 0 360.527 3.506 20 30 FHEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000609916453 946539042 /nfs/dbraw/zinc/53/90/42/946539042.db2.gz PJZWHASUTAABCF-WMZOPIPTSA-N 1 0 357.473 3.688 20 30 FHEDRO Cn1ccc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 ZINC000897054899 946540344 /nfs/dbraw/zinc/54/03/44/946540344.db2.gz KZMLHNLNDKMYIY-UWVGGRQHSA-N 1 0 362.264 3.628 20 30 FHEDRO CSC1(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000897056855 946543593 /nfs/dbraw/zinc/54/35/93/946543593.db2.gz YMKOMMMRTZBQMK-YUMQZZPRSA-N 1 0 369.321 3.985 20 30 FHEDRO FC1(F)[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897056803 946543638 /nfs/dbraw/zinc/54/36/38/946543638.db2.gz WMHRPVGUGWWKOQ-OPRDCNLKSA-N 1 0 365.264 3.782 20 30 FHEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609926759 946559957 /nfs/dbraw/zinc/55/99/57/946559957.db2.gz XIJUVGZDZNKKTN-OZOXKJRCSA-N 1 0 368.452 3.509 20 30 FHEDRO C=CC[N@@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)C(C)(C)C ZINC000661759531 946591293 /nfs/dbraw/zinc/59/12/93/946591293.db2.gz IFBUUYSZBGJXST-UHFFFAOYSA-N 1 0 354.878 3.972 20 30 FHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000186200179 946599890 /nfs/dbraw/zinc/59/98/90/946599890.db2.gz QZOTXFHIMMSBQY-UHFFFAOYSA-N 1 0 359.433 3.691 20 30 FHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000186608034 946693410 /nfs/dbraw/zinc/69/34/10/946693410.db2.gz VWFARHLYCYRCQN-QGZVFWFLSA-N 1 0 361.489 3.835 20 30 FHEDRO C=CCn1c(SCC[C@@H]2CCC[N@H+]2C)nc2cc(Cl)ccc2c1=O ZINC000432233702 946706633 /nfs/dbraw/zinc/70/66/33/946706633.db2.gz AZLHHMVRKFMYTC-AWEZNQCLSA-N 1 0 363.914 3.812 20 30 FHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508494835 946722467 /nfs/dbraw/zinc/72/24/67/946722467.db2.gz RNOXWAWFYXCLES-UHFFFAOYSA-N 1 0 357.546 3.652 20 30 FHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000186266670 946730310 /nfs/dbraw/zinc/73/03/10/946730310.db2.gz POSBMIPPKOLNBY-UHFFFAOYSA-N 1 0 365.452 3.534 20 30 FHEDRO COc1cccc(NC(=[NH2+])NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000303906738 946734269 /nfs/dbraw/zinc/73/42/69/946734269.db2.gz WGGOODHMWPJRJL-UHFFFAOYSA-N 1 0 353.344 3.563 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2cccc(Nc3ccc(C#N)cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000609964561 946739659 /nfs/dbraw/zinc/73/96/59/946739659.db2.gz VVIXIUGEJHXZFE-GASCZTMLSA-N 1 0 366.421 3.819 20 30 FHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1cccc(OC)c1O ZINC000303986756 946753303 /nfs/dbraw/zinc/75/33/03/946753303.db2.gz UVKIQBQTLNJXSI-UHFFFAOYSA-N 1 0 355.482 3.745 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(OC)cc2C(F)(F)F)cc1 ZINC000303988034 946753637 /nfs/dbraw/zinc/75/36/37/946753637.db2.gz WCYGJQHUGLAZEY-UHFFFAOYSA-N 1 0 353.344 3.649 20 30 FHEDRO C=CCC1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCCC1 ZINC000661861479 946775705 /nfs/dbraw/zinc/77/57/05/946775705.db2.gz BHHOSUVIJUXYHE-UHFFFAOYSA-N 1 0 372.328 3.701 20 30 FHEDRO [NH2+]=C(NCCc1ccc(C(F)(F)F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000304501646 946784266 /nfs/dbraw/zinc/78/42/66/946784266.db2.gz RWQNHUXPTXVRMG-MRXNPFEDSA-N 1 0 363.383 3.676 20 30 FHEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000304740449 946791436 /nfs/dbraw/zinc/79/14/36/946791436.db2.gz BPHOUZMKMVFDNS-UHFFFAOYSA-N 1 0 355.829 3.934 20 30 FHEDRO C=CCC1([NH2+]Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CCCC1 ZINC000661865570 946791561 /nfs/dbraw/zinc/79/15/61/946791561.db2.gz RFUHPWITHFJVMU-UHFFFAOYSA-N 1 0 373.453 3.741 20 30 FHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000609984423 946797893 /nfs/dbraw/zinc/79/78/93/946797893.db2.gz DEVZHMPUQORVHZ-NRFANRHFSA-N 1 0 363.461 3.763 20 30 FHEDRO Cc1nc(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)sc1C ZINC000305045932 946807722 /nfs/dbraw/zinc/80/77/22/946807722.db2.gz AOOPWYUNQQFHOF-UHFFFAOYSA-N 1 0 358.389 3.628 20 30 FHEDRO CCCOc1ccc(CNC(NCc2ccco2)=[NH+]C)c(OC(F)F)c1 ZINC000305088518 946813354 /nfs/dbraw/zinc/81/33/54/946813354.db2.gz OSZLFRUOOPGKJJ-UHFFFAOYSA-N 1 0 367.396 3.535 20 30 FHEDRO C[NH+]=C(NCc1ccco1)NCC(C)(C)c1ccccc1Br ZINC000305220610 946835798 /nfs/dbraw/zinc/83/57/98/946835798.db2.gz SZKMZMZRAZEBAQ-UHFFFAOYSA-N 1 0 364.287 3.685 20 30 FHEDRO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508496774 946845499 /nfs/dbraw/zinc/84/54/99/946845499.db2.gz GJRLKEZORHMMKL-FQEVSTJZSA-N 1 0 365.525 3.758 20 30 FHEDRO COc1ccc(C[C@H](C)CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)cc1 ZINC000305650224 946855585 /nfs/dbraw/zinc/85/55/85/946855585.db2.gz DHFKMNUQQNQNSQ-ZDUSSCGKSA-N 1 0 361.873 3.963 20 30 FHEDRO CCOc1c(Cl)cc(CNC(=[NH2+])NC2CCCCCC2)cc1OC ZINC000305746315 946866401 /nfs/dbraw/zinc/86/64/01/946866401.db2.gz PVWQLNHVWOLDEA-UHFFFAOYSA-N 1 0 353.894 3.874 20 30 FHEDRO C#CCOc1ccccc1CNc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000123577295 946873297 /nfs/dbraw/zinc/87/32/97/946873297.db2.gz OCBQJJTYKMXSKI-UHFFFAOYSA-N 1 0 363.505 3.841 20 30 FHEDRO C=CCc1cc(C(=O)Nc2cccc(C[NH2+]CC)c2)cc(OC)c1OC ZINC000123688056 946876580 /nfs/dbraw/zinc/87/65/80/946876580.db2.gz AGEGJTPUKWMCSA-UHFFFAOYSA-N 1 0 354.450 3.794 20 30 FHEDRO C=CCN(C(=O)CSCC[NH+](CC)CC)c1nc2c(s1)CCCC2 ZINC000444456672 946892508 /nfs/dbraw/zinc/89/25/08/946892508.db2.gz WZKGMZVGBWYVDX-UHFFFAOYSA-N 1 0 367.584 3.616 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccccc1 ZINC000895041825 946923659 /nfs/dbraw/zinc/92/36/59/946923659.db2.gz OOGPNNBIXNKDDC-HXUWFJFHSA-N 1 0 354.498 3.738 20 30 FHEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000113329042 946928036 /nfs/dbraw/zinc/92/80/36/946928036.db2.gz CPUNYQATUJYIAA-INIZCTEOSA-N 1 0 350.418 3.506 20 30 FHEDRO N#CC(CC[NH2+][C@H]1CCCC[C@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000193120287 946932234 /nfs/dbraw/zinc/93/22/34/946932234.db2.gz SAOLFDTYRSZNOU-RTWAWAEBSA-N 1 0 361.489 3.520 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@]3(C)CCC(=O)NC3)c2)CC1 ZINC000328639177 946962593 /nfs/dbraw/zinc/96/25/93/946962593.db2.gz DPFRUBMIRNZLBX-HXUWFJFHSA-N 1 0 358.486 3.562 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)C[N@@H+]1Cc1ccccc1 ZINC000328693005 946990924 /nfs/dbraw/zinc/99/09/24/946990924.db2.gz CKBMEEMDUXTNNF-HOJAQTOUSA-N 1 0 371.525 3.502 20 30 FHEDRO Cc1ccc2nc(NC(=O)C[N@@H+]3CC[C@@H](C4CCOCC4)C3)sc2c1 ZINC000328812065 947032856 /nfs/dbraw/zinc/03/28/56/947032856.db2.gz FNPDFOFCVFOODR-OAHLLOKOSA-N 1 0 359.495 3.941 20 30 FHEDRO O=C(Nc1cccc2ccsc21)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000328813447 947034192 /nfs/dbraw/zinc/03/41/92/947034192.db2.gz NELNMLSGBODAOA-AWEZNQCLSA-N 1 0 359.495 3.728 20 30 FHEDRO O=C(CN1CCC[C@H]2C(=O)NC[C@H]21)NCC1(c2ccccc2)CCCCC1 ZINC000328836618 947057753 /nfs/dbraw/zinc/05/77/53/947057753.db2.gz SQRHRSLRJSKBNY-RTBURBONSA-N 1 0 369.509 3.896 20 30 FHEDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1coc(C2CCCC2)n1 ZINC000328839911 947060307 /nfs/dbraw/zinc/06/03/07/947060307.db2.gz YVLHTFSGVMTYOE-UHFFFAOYSA-N 1 0 363.527 3.998 20 30 FHEDRO C[C@@H]1CC[C@H](CNC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000328849040 947064181 /nfs/dbraw/zinc/06/41/81/947064181.db2.gz BCRBHTFNLFZOIA-AEFFLSMTSA-N 1 0 359.514 3.599 20 30 FHEDRO CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000328863800 947071478 /nfs/dbraw/zinc/07/14/78/947071478.db2.gz MPWNRIBSHWJMQF-OAQYLSRUSA-N 1 0 371.525 3.920 20 30 FHEDRO CC(C)(C#N)C[C@H](O)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000598596372 947079790 /nfs/dbraw/zinc/07/97/90/947079790.db2.gz PAAUJSOAKYSILL-FQEVSTJZSA-N 1 0 355.457 3.566 20 30 FHEDRO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000328881773 947081097 /nfs/dbraw/zinc/08/10/97/947081097.db2.gz WTODGWATTHYQMM-UHFFFAOYSA-N 1 0 352.482 3.873 20 30 FHEDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328894403 947085401 /nfs/dbraw/zinc/08/54/01/947085401.db2.gz VPSVMNMBVIODRB-NHCUHLMSSA-N 1 0 371.525 3.634 20 30 FHEDRO COC(=O)[C@]1(C)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444643214 947086154 /nfs/dbraw/zinc/08/61/54/947086154.db2.gz SYUUMLCSPFUIDN-JOCHJYFZSA-N 1 0 362.473 3.771 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000444645083 947087441 /nfs/dbraw/zinc/08/74/41/947087441.db2.gz WVFBTAZOKUMSEY-MJGOQNOKSA-N 1 0 371.525 3.874 20 30 FHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444686145 947088235 /nfs/dbraw/zinc/08/82/35/947088235.db2.gz RMGYRUFDYLUKTM-LJQANCHMSA-N 1 0 361.489 3.985 20 30 FHEDRO Cc1nc([C@H]2CCCOC2)sc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000328954761 947099360 /nfs/dbraw/zinc/09/93/60/947099360.db2.gz MYGNGJPZEJTOMK-PCKAHOCUSA-N 1 0 365.543 3.771 20 30 FHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCSc2ccccc21 ZINC000328952841 947099417 /nfs/dbraw/zinc/09/94/17/947099417.db2.gz NYRPMPQJSIUUJC-OTWHNJEPSA-N 1 0 374.550 3.990 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000328954514 947099755 /nfs/dbraw/zinc/09/97/55/947099755.db2.gz MYGNGJPZEJTOMK-HWOWSKLDSA-N 1 0 365.543 3.771 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)CC1 ZINC000328955858 947100838 /nfs/dbraw/zinc/10/08/38/947100838.db2.gz ZCQLFNXOJSZVEW-IEBWSBKVSA-N 1 0 362.518 3.763 20 30 FHEDRO C[C@@H]1CN(Cc2cccc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)c2)C[C@H](C)O1 ZINC000328960243 947125268 /nfs/dbraw/zinc/12/52/68/947125268.db2.gz PLBAVFMMSSGEHV-LISAXSMJSA-N 1 0 358.482 3.889 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000049798420 947157245 /nfs/dbraw/zinc/15/72/45/947157245.db2.gz BUMIZHQLIGFKRV-SFHVURJKSA-N 1 0 361.486 3.888 20 30 FHEDRO CC(C)(CNC(=O)Nc1ncc(C(F)(F)F)s1)[NH+]1CCCCC1 ZINC000330421510 947171401 /nfs/dbraw/zinc/17/14/01/947171401.db2.gz DDAFOGVVKQCEBZ-UHFFFAOYSA-N 1 0 350.410 3.752 20 30 FHEDRO COc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000330474079 947178448 /nfs/dbraw/zinc/17/84/48/947178448.db2.gz RAJOFTZCKLDYSP-GFCCVEGCSA-N 1 0 370.291 3.658 20 30 FHEDRO CN1Cc2ccccc2[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1=O ZINC000598942049 947185353 /nfs/dbraw/zinc/18/53/53/947185353.db2.gz KRUIZJBSKHIOIM-YUVVGHDESA-N 1 0 359.473 3.693 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC000330518332 947189135 /nfs/dbraw/zinc/18/91/35/947189135.db2.gz OPBLIKIBGYMTJE-QYZOEREBSA-N 1 0 361.530 3.695 20 30 FHEDRO C=CC[C@H]1[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CCCC1(C)C ZINC000444778115 947213497 /nfs/dbraw/zinc/21/34/97/947213497.db2.gz HNGCGNIIUZXJEC-TZIWHRDSSA-N 1 0 369.553 3.696 20 30 FHEDRO CC(C)NC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000330578466 947219027 /nfs/dbraw/zinc/21/90/27/947219027.db2.gz HMTMNDOKCQUSPT-CVEARBPZSA-N 1 0 360.502 3.846 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000662087541 947228786 /nfs/dbraw/zinc/22/87/86/947228786.db2.gz BWUQDDJVYGOTES-SCTDSRPQSA-N 1 0 353.491 3.532 20 30 FHEDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330705538 947253352 /nfs/dbraw/zinc/25/33/52/947253352.db2.gz NQJWJFIJTQBHTQ-QWHCGFSZSA-N 1 0 351.472 3.883 20 30 FHEDRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000330876631 947290048 /nfs/dbraw/zinc/29/00/48/947290048.db2.gz FYHMZFNARVUXIR-QWHCGFSZSA-N 1 0 366.893 3.649 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000523489446 947306314 /nfs/dbraw/zinc/30/63/14/947306314.db2.gz KJPRIOUEKRZHLT-AWEZNQCLSA-N 1 0 370.415 3.684 20 30 FHEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000249067672 947318786 /nfs/dbraw/zinc/31/87/86/947318786.db2.gz PYXNXGJZDOXPEE-GPXNEJASSA-N 1 0 373.500 3.759 20 30 FHEDRO Cc1c(NC(=O)N(C)C)cccc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000331024943 947323591 /nfs/dbraw/zinc/32/35/91/947323591.db2.gz TVSYIRHLHWTLSS-UHFFFAOYSA-N 1 0 360.502 3.553 20 30 FHEDRO C=CC[NH+]1CCC(Nc2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000301394313 947325049 /nfs/dbraw/zinc/32/50/49/947325049.db2.gz KIPPWTBRPVAWQO-UHFFFAOYSA-N 1 0 358.392 3.770 20 30 FHEDRO CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)C1 ZINC000330981607 947325975 /nfs/dbraw/zinc/32/59/75/947325975.db2.gz NYZHKPPXCQWCIN-ZDUSSCGKSA-N 1 0 350.532 3.593 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)CC1 ZINC000331006471 947331282 /nfs/dbraw/zinc/33/12/82/947331282.db2.gz SUAFDOQYBGDAHI-UHFFFAOYSA-N 1 0 364.559 3.983 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000331004096 947331744 /nfs/dbraw/zinc/33/17/44/947331744.db2.gz YHDCPSZGXPPUAV-CYBMUJFWSA-N 1 0 364.559 3.841 20 30 FHEDRO COc1cc(C[NH2+]CCc2ccccc2OC(F)(F)F)ccc1C#N ZINC000440613048 947359203 /nfs/dbraw/zinc/35/92/03/947359203.db2.gz DFRJEJYHVJPBNO-UHFFFAOYSA-N 1 0 350.340 3.798 20 30 FHEDRO Cc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1OC(C)C ZINC000331154461 947359515 /nfs/dbraw/zinc/35/95/15/947359515.db2.gz PFZKOBYNVLEHIW-SFHVURJKSA-N 1 0 351.516 3.545 20 30 FHEDRO CC(C)c1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(C(C)C)c1 ZINC000331156015 947360011 /nfs/dbraw/zinc/36/00/11/947360011.db2.gz DHKPAQNASPDLOA-SJORKVTESA-N 1 0 361.530 3.866 20 30 FHEDRO CC1(C)CC(NC(=O)NCc2c(F)cc(F)c(F)c2F)CC(C)(C)[NH2+]1 ZINC000331162704 947360225 /nfs/dbraw/zinc/36/02/25/947360225.db2.gz XGRWEYSQGUULOW-UHFFFAOYSA-N 1 0 361.383 3.556 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000331287309 947377811 /nfs/dbraw/zinc/37/78/11/947377811.db2.gz HSGALKDOAFHUIU-FIXISWKDSA-N 1 0 372.332 3.604 20 30 FHEDRO Cc1ccc(Cl)c(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000331248169 947380321 /nfs/dbraw/zinc/38/03/21/947380321.db2.gz QXKRJQLKQUZYHV-OAHLLOKOSA-N 1 0 353.894 3.640 20 30 FHEDRO CCN(CC)C(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000331308961 947383863 /nfs/dbraw/zinc/38/38/63/947383863.db2.gz YBVNQRXKNBLZFT-LPHOPBHVSA-N 1 0 374.529 3.519 20 30 FHEDRO C[NH+](C)CC1(CNC(=O)c2cccc(C#N)c2Br)CCCC1 ZINC000331296964 947391141 /nfs/dbraw/zinc/39/11/41/947391141.db2.gz CXXKBZKBZNAKPQ-UHFFFAOYSA-N 1 0 364.287 3.747 20 30 FHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000458939600 947394867 /nfs/dbraw/zinc/39/48/67/947394867.db2.gz QRAPPPNGUUPGEX-FQEVSTJZSA-N 1 0 368.525 3.743 20 30 FHEDRO COc1cc(C[NH2+][C@H](Cn2ccnc2)c2ccc(C)cc2C)ccc1C#N ZINC000440632100 947410960 /nfs/dbraw/zinc/41/09/60/947410960.db2.gz BPRFPGSJEVWTKC-OAQYLSRUSA-N 1 0 360.461 3.911 20 30 FHEDRO CN(CC1CC[NH+](C)CC1)c1c(C#N)cnc2c(Br)cccc21 ZINC000440633383 947431708 /nfs/dbraw/zinc/43/17/08/947431708.db2.gz GKSUKRZJTSJIEO-UHFFFAOYSA-N 1 0 373.298 3.647 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)ccc1C#N ZINC000440641011 947445875 /nfs/dbraw/zinc/44/58/75/947445875.db2.gz UVCSGXBERVXVAF-OAHLLOKOSA-N 1 0 359.832 3.728 20 30 FHEDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)c2ccc(F)cc2C1 ZINC000184535184 947470544 /nfs/dbraw/zinc/47/05/44/947470544.db2.gz NHPMBQWAYQKISG-SPLOXXLWSA-N 1 0 351.425 3.841 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000093918843 947525423 /nfs/dbraw/zinc/52/54/23/947525423.db2.gz CHUYWGJXZCIKHZ-JKSUJKDBSA-N 1 0 353.441 3.904 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)CCC[NH2+]1 ZINC000662453478 947824433 /nfs/dbraw/zinc/82/44/33/947824433.db2.gz AOLKGWFCLMDQRR-IBGZPJMESA-N 1 0 357.479 3.764 20 30 FHEDRO Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001126243839 947840546 /nfs/dbraw/zinc/84/05/46/947840546.db2.gz OPPPUYPYQVLJMK-GHTZIAJQSA-N 1 0 361.489 3.992 20 30 FHEDRO C=CC[C@]1(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC000662493298 947860684 /nfs/dbraw/zinc/86/06/84/947860684.db2.gz JUGGGFRAAPYOFH-JTNHKYCSSA-N 1 0 372.353 3.710 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)CCC[NH2+]1 ZINC000662531525 947899616 /nfs/dbraw/zinc/89/96/16/947899616.db2.gz GQUSCPRIVICFSM-MGPUTAFESA-N 1 0 355.507 3.994 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CCC[NH2+]1 ZINC000662664475 947966778 /nfs/dbraw/zinc/96/67/78/947966778.db2.gz YCKNDEOSZZIRGQ-QRWLVFNGSA-N 1 0 355.507 3.701 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCC(c3nc4ccccc4s3)CC2)CCC[NH2+]1 ZINC000662663158 947969604 /nfs/dbraw/zinc/96/96/04/947969604.db2.gz LVYWXDHIHHIEQD-FQEVSTJZSA-N 1 0 355.507 3.701 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)CCC[NH2+]1 ZINC000662683480 947978682 /nfs/dbraw/zinc/97/86/82/947978682.db2.gz OIXRVMYXRJMMRE-OAQYLSRUSA-N 1 0 367.449 3.828 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CCC[NH2+]1 ZINC000662685841 947979579 /nfs/dbraw/zinc/97/95/79/947979579.db2.gz YWQQNRDDNJUDBU-NRFANRHFSA-N 1 0 352.482 3.692 20 30 FHEDRO C=CCC(C)(C)CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000458812773 948142844 /nfs/dbraw/zinc/14/28/44/948142844.db2.gz RFGMOEFHGABLCU-WOJBJXKFSA-N 1 0 355.526 3.752 20 30 FHEDRO C=C(C)CN(C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000181685231 948224611 /nfs/dbraw/zinc/22/46/11/948224611.db2.gz NMKORPGPVKYPHB-UHFFFAOYSA-N 1 0 372.513 3.931 20 30 FHEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000184707885 948245271 /nfs/dbraw/zinc/24/52/71/948245271.db2.gz ZTNMWNRNMYCPMK-QFBILLFUSA-N 1 0 365.481 3.631 20 30 FHEDRO COc1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1OCCCC#N ZINC000585743457 948249671 /nfs/dbraw/zinc/24/96/71/948249671.db2.gz REAPHGUHZPKTAE-UHFFFAOYSA-N 1 0 364.449 3.586 20 30 FHEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)[C@@H](C)COC ZINC000663583202 948251348 /nfs/dbraw/zinc/25/13/48/948251348.db2.gz REXHEXYIYDEVPR-OALUTQOASA-N 1 0 373.541 3.651 20 30 FHEDRO C[NH+]1CCC(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000106763954 948262861 /nfs/dbraw/zinc/26/28/61/948262861.db2.gz FSZZSZRNEQHXIL-UHFFFAOYSA-N 1 0 367.424 3.561 20 30 FHEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000585794457 948297671 /nfs/dbraw/zinc/29/76/71/948297671.db2.gz XNHFHQDXHVXWAU-IVZQSRNASA-N 1 0 364.468 3.974 20 30 FHEDRO C=CCCCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000473994431 948302395 /nfs/dbraw/zinc/30/23/95/948302395.db2.gz OHFPEZFALXAZAI-UHFFFAOYSA-N 1 0 353.304 3.732 20 30 FHEDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135164502 948388184 /nfs/dbraw/zinc/38/81/84/948388184.db2.gz VKFXUYCTQLBNEX-KRWDZBQOSA-N 1 0 355.526 3.860 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520128037 948420467 /nfs/dbraw/zinc/42/04/67/948420467.db2.gz RECYEXWTYBWMGV-JOCHJYFZSA-N 1 0 363.505 3.701 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(F)ccc(C)c2Br)CC1 ZINC000279074404 948467561 /nfs/dbraw/zinc/46/75/61/948467561.db2.gz RDWXZMXAWHTACR-UHFFFAOYSA-N 1 0 369.278 3.667 20 30 FHEDRO C=CCc1cc(CN2CCO[C@@H](c3cccc(OC)c3)C2)cc(OC)c1O ZINC000093079775 948479289 /nfs/dbraw/zinc/47/92/89/948479289.db2.gz QDQRFUAHLMYXCA-OAQYLSRUSA-N 1 0 369.461 3.711 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2oc3ccccc3c2COC(C)C)CC1 ZINC000520682751 948579827 /nfs/dbraw/zinc/57/98/27/948579827.db2.gz NBSLFVWZZVYGJQ-UHFFFAOYSA-N 1 0 356.466 3.738 20 30 FHEDRO CN(C(=O)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000520698219 948603835 /nfs/dbraw/zinc/60/38/35/948603835.db2.gz JBVDLMXUUWOKDF-FQEVSTJZSA-N 1 0 353.510 3.626 20 30 FHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000512166097 948605110 /nfs/dbraw/zinc/60/51/10/948605110.db2.gz MFFYADNKFRTZFA-LJQANCHMSA-N 1 0 373.493 3.515 20 30 FHEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549637434 948729277 /nfs/dbraw/zinc/72/92/77/948729277.db2.gz NNRXYNGWDBATFZ-UHFFFAOYSA-N 1 0 369.488 3.643 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1 ZINC000523969566 948746362 /nfs/dbraw/zinc/74/63/62/948746362.db2.gz VNKDIHZLAQDERB-DYESRHJHSA-N 1 0 357.498 3.609 20 30 FHEDRO N#Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000109548406 209309155 /nfs/dbraw/zinc/30/91/55/209309155.db2.gz KBVNMHMQUIBZCF-LJQANCHMSA-N 1 0 373.378 3.951 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000062373096 567950107 /nfs/dbraw/zinc/95/01/07/567950107.db2.gz MPQILHGNRCNQGT-UHFFFAOYSA-N 1 0 374.847 3.946 20 30 FHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)CCO2 ZINC000161684197 567959812 /nfs/dbraw/zinc/95/98/12/567959812.db2.gz IZOYHDLHOTZFSR-FQEVSTJZSA-N 1 0 362.477 3.598 20 30 FHEDRO CCOc1cc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)ccc1OC(F)F ZINC000602520810 567987220 /nfs/dbraw/zinc/98/72/20/567987220.db2.gz MNFOJULVHHEZRH-CQSZACIVSA-N 1 0 368.424 3.875 20 30 FHEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602522246 567987315 /nfs/dbraw/zinc/98/73/15/567987315.db2.gz SMMUVMPVRLBEOG-IRXDYDNUSA-N 1 0 357.498 3.860 20 30 FHEDRO COc1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1Br ZINC000602528246 567988015 /nfs/dbraw/zinc/98/80/15/567988015.db2.gz QSFASZLGJOXLFX-ZDUSSCGKSA-N 1 0 367.287 3.646 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000602531238 567988414 /nfs/dbraw/zinc/98/84/14/567988414.db2.gz GDLJMJADYPYNKX-QGZVFWFLSA-N 1 0 357.498 3.982 20 30 FHEDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N2CCCC2)cc1 ZINC000602532108 567988773 /nfs/dbraw/zinc/98/87/73/567988773.db2.gz KCJSWJSYJMGWRW-PZJWPPBQSA-N 1 0 355.526 3.821 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(Br)ccc1F ZINC000602508157 567988911 /nfs/dbraw/zinc/98/89/11/567988911.db2.gz UDHAMPKQGPTPFD-LBPRGKRZSA-N 1 0 355.251 3.777 20 30 FHEDRO COc1ccc(Br)cc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602545208 567990081 /nfs/dbraw/zinc/99/00/81/567990081.db2.gz VEUVXLHLHWYZLR-ZDUSSCGKSA-N 1 0 367.287 3.646 20 30 FHEDRO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602549471 567990473 /nfs/dbraw/zinc/99/04/73/567990473.db2.gz CNTSQBJKOSXOLW-RBUKOAKNSA-N 1 0 355.526 3.901 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000602580399 567993611 /nfs/dbraw/zinc/99/36/11/567993611.db2.gz GMLLZRKGZRPURK-HNNXBMFYSA-N 1 0 370.415 3.954 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000602581578 567993796 /nfs/dbraw/zinc/99/37/96/567993796.db2.gz USEASPKQESMWOK-HOTGVXAUSA-N 1 0 354.454 3.529 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000602585100 567994291 /nfs/dbraw/zinc/99/42/91/567994291.db2.gz MJODHQCYCQUUOK-RHSMWYFYSA-N 1 0 367.415 3.726 20 30 FHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602586123 567994410 /nfs/dbraw/zinc/99/44/10/567994410.db2.gz ZMEMTQVRPGKJEB-HZPDHXFCSA-N 1 0 371.378 3.919 20 30 FHEDRO Cc1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c(OC[C@@H]2CCCO2)c1 ZINC000602567551 567995825 /nfs/dbraw/zinc/99/58/25/567995825.db2.gz FPFCXYVODGEDJO-QUCCMNQESA-N 1 0 372.509 3.741 20 30 FHEDRO CN1CC[C@H]([NH2+]CC(C)(C)C#N)C[C@@H]1c1ccc(Br)cc1 ZINC000602617658 567998166 /nfs/dbraw/zinc/99/81/66/567998166.db2.gz YRTFUQFZTQQVRH-JKSUJKDBSA-N 1 0 350.304 3.724 20 30 FHEDRO COc1ccccc1-c1nc(C2CC[NH+](C[C@@H](C)CCC#N)CC2)no1 ZINC000602635011 568001816 /nfs/dbraw/zinc/00/18/16/568001816.db2.gz RLPPFOFLDZSARO-HNNXBMFYSA-N 1 0 354.454 3.864 20 30 FHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602856899 568002504 /nfs/dbraw/zinc/00/25/04/568002504.db2.gz SZARLYOKVBMKOX-UYAOXDASSA-N 1 0 362.477 3.596 20 30 FHEDRO CN(C(=O)Nc1cccc2c1CN(c1ccccn1)C2)[C@@H]1CCC[C@@H]1C#N ZINC000602916601 568012260 /nfs/dbraw/zinc/01/22/60/568012260.db2.gz NZJNXABBHRVVJC-DNVCBOLYSA-N 1 0 361.449 3.758 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481530652 568016550 /nfs/dbraw/zinc/01/65/50/568016550.db2.gz SKYHKVLRESRGTM-VBKZILBWSA-N 1 0 374.868 3.965 20 30 FHEDRO COC(=O)c1ccc2c(c1)[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)CCC2 ZINC000602710910 568019160 /nfs/dbraw/zinc/01/91/60/568019160.db2.gz ZZSDORJFPGHSFF-APWZRJJASA-N 1 0 370.493 3.582 20 30 FHEDRO COC(=O)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000159223419 568020075 /nfs/dbraw/zinc/02/00/75/568020075.db2.gz WZPQXWYNBKGMTI-UHFFFAOYSA-N 1 0 364.445 3.522 20 30 FHEDRO Cc1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1Br ZINC000602750120 568029736 /nfs/dbraw/zinc/02/97/36/568029736.db2.gz BNEINGLXVQQMIU-CQSZACIVSA-N 1 0 351.288 3.946 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c(C#N)c1C ZINC000181870309 568041602 /nfs/dbraw/zinc/04/16/02/568041602.db2.gz MGYWUXKQNHULAF-HNNXBMFYSA-N 1 0 366.465 3.658 20 30 FHEDRO COC(=O)c1cc(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)no1 ZINC000603000487 568044042 /nfs/dbraw/zinc/04/40/42/568044042.db2.gz BDBKGSIGFHEFBJ-UHFFFAOYSA-N 1 0 367.449 3.642 20 30 FHEDRO Cc1cc(C#N)cc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000568597461 568074722 /nfs/dbraw/zinc/07/47/22/568074722.db2.gz DCWSPJJCPCYIOI-SFTDATJTSA-N 1 0 374.488 3.853 20 30 FHEDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481647058 568080087 /nfs/dbraw/zinc/08/00/87/568080087.db2.gz ZKMZZBAGQDYCDO-AOMKIAJQSA-N 1 0 372.472 3.714 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000481712339 568090753 /nfs/dbraw/zinc/09/07/53/568090753.db2.gz MKRSCHPSLBAJJM-IBGZPJMESA-N 1 0 368.456 3.772 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)CC2CCCCC2)cc1 ZINC000603457164 568104468 /nfs/dbraw/zinc/10/44/68/568104468.db2.gz UTMBTONOEBTDIU-UHFFFAOYSA-N 1 0 357.498 3.844 20 30 FHEDRO O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330288522 568131044 /nfs/dbraw/zinc/13/10/44/568131044.db2.gz DBTYJXCJTSPALP-MJGOQNOKSA-N 1 0 373.472 3.685 20 30 FHEDRO CCc1ccc(C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000603845742 568157192 /nfs/dbraw/zinc/15/71/92/568157192.db2.gz NKQFMVLSVQRTJO-QFIPXVFZSA-N 1 0 364.489 3.719 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 ZINC000481848460 568159631 /nfs/dbraw/zinc/15/96/31/568159631.db2.gz OESOKARFUACIRM-WIYYLYMNSA-N 1 0 364.489 3.788 20 30 FHEDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000604017672 568199432 /nfs/dbraw/zinc/19/94/32/568199432.db2.gz RXQKRINWKPETSL-LJQANCHMSA-N 1 0 357.473 3.517 20 30 FHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000330308179 568222080 /nfs/dbraw/zinc/22/20/80/568222080.db2.gz SPBNQXGRJQXKJK-KXBFYZLASA-N 1 0 358.442 3.638 20 30 FHEDRO Cc1csc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C#N ZINC000568881899 568244207 /nfs/dbraw/zinc/24/42/07/568244207.db2.gz YTLMKXJXSXBEMV-MRXNPFEDSA-N 1 0 360.527 3.904 20 30 FHEDRO Cc1csc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1C#N ZINC000568930355 568253490 /nfs/dbraw/zinc/25/34/90/568253490.db2.gz YBWQYJYBRUSYDT-UHFFFAOYSA-N 1 0 368.506 3.711 20 30 FHEDRO COC(=O)c1cccc(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1C#N ZINC000568939058 568253894 /nfs/dbraw/zinc/25/38/94/568253894.db2.gz LHQFWTIJWHYOOK-OAQYLSRUSA-N 1 0 352.409 3.648 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H](c1nccn1C)C(F)(F)F ZINC000569000545 568266014 /nfs/dbraw/zinc/26/60/14/568266014.db2.gz LHGXYRCTIQAVJE-IUODEOHRSA-N 1 0 364.371 3.547 20 30 FHEDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1(CC)CC ZINC000482145119 568285151 /nfs/dbraw/zinc/28/51/51/568285151.db2.gz CPOLVUDXJOPECU-SJORKVTESA-N 1 0 363.889 3.724 20 30 FHEDRO CC(C)C[N@H+](CCc1ccc(F)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000604500709 568301683 /nfs/dbraw/zinc/30/16/83/568301683.db2.gz KPARMFMJRBNLIF-UHFFFAOYSA-N 1 0 359.489 3.669 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1OCCCC#N ZINC000563150134 568304330 /nfs/dbraw/zinc/30/43/30/568304330.db2.gz MOADQLNKKVUNED-MOPGFXCFSA-N 1 0 358.482 3.769 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604827594 568376740 /nfs/dbraw/zinc/37/67/40/568376740.db2.gz WVJLQZRAKVAKDU-IBGZPJMESA-N 1 0 361.530 3.759 20 30 FHEDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000570597806 568490164 /nfs/dbraw/zinc/49/01/64/568490164.db2.gz XYYAPYLGPXSOLG-IIBYNOLFSA-N 1 0 363.461 3.802 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000570679370 568495231 /nfs/dbraw/zinc/49/52/31/568495231.db2.gz UEHSQGKCFFINLV-NRFANRHFSA-N 1 0 350.487 3.933 20 30 FHEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1Br)C1(CO)CCC1 ZINC000570586639 568496214 /nfs/dbraw/zinc/49/62/14/568496214.db2.gz WFAYLMTYOOKTPB-INIZCTEOSA-N 1 0 351.288 3.598 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1CCOc2ccccc21)C(C)C ZINC000605128115 568580170 /nfs/dbraw/zinc/58/01/70/568580170.db2.gz XJURCHPFUDDINP-AZUAARDMSA-N 1 0 356.510 3.758 20 30 FHEDRO N#CC1(NC(=O)c2ccnc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000365394896 568607935 /nfs/dbraw/zinc/60/79/35/568607935.db2.gz MPTJZERONQSGQP-UHFFFAOYSA-N 1 0 370.456 3.523 20 30 FHEDRO CCN(CC)c1ccc(C=[NH+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(O)c1 ZINC000821198928 599398848 /nfs/dbraw/zinc/39/88/48/599398848.db2.gz YGCQAGVWGWDDQH-HADWXUJASA-N 1 0 364.453 3.599 20 30 FHEDRO CCN(CC)c1ccc(C=[NH+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c(O)c1 ZINC000821198926 599399215 /nfs/dbraw/zinc/39/92/15/599399215.db2.gz YGCQAGVWGWDDQH-CNRHGSOZSA-N 1 0 364.453 3.599 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc2ccccc2n1 ZINC000735425583 599443231 /nfs/dbraw/zinc/44/32/31/599443231.db2.gz CGOUQYNNGKEDEU-UHFFFAOYSA-N 1 0 356.433 3.603 20 30 FHEDRO C=CCC[C@H](CCC)[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000823894091 608287559 /nfs/dbraw/zinc/28/75/59/608287559.db2.gz HGBIYVCMBSKGFO-AOCRQIFASA-N 1 0 370.501 3.676 20 30 FHEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553650 608487026 /nfs/dbraw/zinc/48/70/26/608487026.db2.gz FBIAEJOOJUKSKW-ZDUSSCGKSA-N 1 0 371.366 3.588 20 30 FHEDRO C=C1CC[NH+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000823883727 608682592 /nfs/dbraw/zinc/68/25/92/608682592.db2.gz ZCOWNTPJZLBRQO-UHFFFAOYSA-N 1 0 361.449 3.598 20 30 FHEDRO N#Cc1ccc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1Cl ZINC001164418475 718891464 /nfs/dbraw/zinc/89/14/64/718891464.db2.gz OHEPAKIEYXBDDN-CQSZACIVSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4C[C@@]4([NH3+])C3)cnc2Cl)c1 ZINC001164422919 718897565 /nfs/dbraw/zinc/89/75/65/718897565.db2.gz YYROYQGAIYYTJJ-KBXCAEBGSA-N 1 0 374.822 3.746 20 30 FHEDRO N#Cc1cnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164627288 719057777 /nfs/dbraw/zinc/05/77/77/719057777.db2.gz QKYHWXQRQAGPLK-IEBWSBKVSA-N 1 0 352.869 3.707 20 30 FHEDRO Cc1cc(C#N)cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164998531 722211625 /nfs/dbraw/zinc/21/16/25/722211625.db2.gz WTSWJHUAQAOQSA-NRFANRHFSA-N 1 0 350.441 3.646 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 ZINC000255563890 936380893 /nfs/dbraw/zinc/38/08/93/936380893.db2.gz VHVYGZWXNIMREQ-DBBWNDPISA-N 1 0 351.494 3.684 20 30 FHEDRO CSc1nnc(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)n1CC(C)C ZINC000583054775 937083165 /nfs/dbraw/zinc/08/31/65/937083165.db2.gz XYKPRHCPQVFTIM-GOSISDBHSA-N 1 0 369.538 3.737 20 30 FHEDRO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000583097913 937120938 /nfs/dbraw/zinc/12/09/38/937120938.db2.gz HNLNJZLGCGWSGO-SFTDATJTSA-N 1 0 360.461 3.994 20 30 FHEDRO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000583097912 937120986 /nfs/dbraw/zinc/12/09/86/937120986.db2.gz HNLNJZLGCGWSGO-RTWAWAEBSA-N 1 0 360.461 3.994 20 30 FHEDRO C[N@H+](CCc1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1)C1CC1 ZINC000471102692 927123115 /nfs/dbraw/zinc/12/31/15/927123115.db2.gz BJWCSSANNCCTAF-FQEVSTJZSA-N 1 0 372.472 3.516 20 30 FHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000583114934 937141367 /nfs/dbraw/zinc/14/13/67/937141367.db2.gz HDPCKROIBJXVQR-UHFFFAOYSA-N 1 0 364.367 3.931 20 30 FHEDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1OCCCC#N ZINC000579726059 927206078 /nfs/dbraw/zinc/20/60/78/927206078.db2.gz WJQQPNLFDFFTJB-MJGOQNOKSA-N 1 0 360.498 3.893 20 30 FHEDRO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCCC[C@@H]1C ZINC000120107359 927253185 /nfs/dbraw/zinc/25/31/85/927253185.db2.gz RRALIUQWYLOYLS-QFBILLFUSA-N 1 0 365.481 3.583 20 30 FHEDRO Cc1cc(C#N)nc(N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000557647737 927275177 /nfs/dbraw/zinc/27/51/77/927275177.db2.gz YIJYPUVVSRFTDK-ROUUACIJSA-N 1 0 357.408 3.571 20 30 FHEDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000543981222 927706347 /nfs/dbraw/zinc/70/63/47/927706347.db2.gz KEIMECSPGXOIAA-NHUHVJRWSA-N 1 0 356.514 3.614 20 30 FHEDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000543981220 927713380 /nfs/dbraw/zinc/71/33/80/927713380.db2.gz KEIMECSPGXOIAA-GWWPLSDWSA-N 1 0 356.514 3.614 20 30 FHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178804947 937208245 /nfs/dbraw/zinc/20/82/45/937208245.db2.gz XFRSOVCGGZAENS-FUHWJXTLSA-N 1 0 369.513 3.595 20 30 FHEDRO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001211500188 928036986 /nfs/dbraw/zinc/03/69/86/928036986.db2.gz YUTGWOCCBMHNNT-RHSMWYFYSA-N 1 0 359.470 3.554 20 30 FHEDRO C=C(C)[C@@H](NCC(=O)NC(=O)Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000187778775 937218767 /nfs/dbraw/zinc/21/87/67/937218767.db2.gz HYQKUTPJERYBAG-GOSISDBHSA-N 1 0 359.376 3.520 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000154513285 928887804 /nfs/dbraw/zinc/88/78/04/928887804.db2.gz HYOSUICNTKTLBB-UHFFFAOYSA-N 1 0 363.461 3.825 20 30 FHEDRO N#Cc1c(Cl)cc(Cl)nc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167089396 929030117 /nfs/dbraw/zinc/03/01/17/929030117.db2.gz UJKLNQMSLFCNFE-UHFFFAOYSA-N 1 0 361.207 3.989 20 30 FHEDRO C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000610239022 929138831 /nfs/dbraw/zinc/13/88/31/929138831.db2.gz SIJGPYBWDNWSKE-AWEZNQCLSA-N 1 0 355.404 3.503 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000165178619 929195298 /nfs/dbraw/zinc/19/52/98/929195298.db2.gz TYDXQUKFAVHPEN-KRWDZBQOSA-N 1 0 368.452 3.525 20 30 FHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cccc(C#N)c1C ZINC000510149169 929264244 /nfs/dbraw/zinc/26/42/44/929264244.db2.gz RLBJEVASSTWPQP-UHFFFAOYSA-N 1 0 355.404 3.603 20 30 FHEDRO COc1ccc(C[NH2+]CC[C@@](C)(O)c2ccccc2)cc1OCCCC#N ZINC000275034641 929273294 /nfs/dbraw/zinc/27/32/94/929273294.db2.gz DIOJNLIILMNKGN-JOCHJYFZSA-N 1 0 368.477 3.765 20 30 FHEDRO N#Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1F ZINC000547763422 929561807 /nfs/dbraw/zinc/56/18/07/929561807.db2.gz DDIWPKZPJOEQIH-IHWFROFDSA-N 1 0 363.436 3.623 20 30 FHEDRO C=CCc1ccc(OCC(=O)Nc2cccc(C[NH+](C)C)c2)c(OC)c1 ZINC000047453277 929587987 /nfs/dbraw/zinc/58/79/87/929587987.db2.gz VNDJWGVWSRIFCA-UHFFFAOYSA-N 1 0 354.450 3.503 20 30 FHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(CC#N)cc3)CCN2C2CC2)c1 ZINC000569627470 937344817 /nfs/dbraw/zinc/34/48/17/937344817.db2.gz KHIQDSNPCSVWNK-XZOQPEGZSA-N 1 0 361.489 3.829 20 30 FHEDRO N#Cc1c(Cl)nc2cccc(F)c2c1-n1ccc2cc(C[NH3+])cnc21 ZINC001167311572 929666663 /nfs/dbraw/zinc/66/66/63/929666663.db2.gz RJQXHOXXCOSNOY-UHFFFAOYSA-N 1 0 351.772 3.697 20 30 FHEDRO C=CCC[C@H](O)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278202750 937349538 /nfs/dbraw/zinc/34/95/38/937349538.db2.gz CQQIDWDGNYGFFL-HNNXBMFYSA-N 1 0 359.388 3.508 20 30 FHEDRO N#Cc1c(Cl)cc(Br)cc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167313028 929700684 /nfs/dbraw/zinc/70/06/84/929700684.db2.gz DKSLITFNSVYKFE-UHFFFAOYSA-N 1 0 361.630 3.772 20 30 FHEDRO COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCCCc3cc(C#N)ccc31)CCC2 ZINC000578938167 929741983 /nfs/dbraw/zinc/74/19/83/929741983.db2.gz OGIPODZNIAIBRB-NHCUHLMSSA-N 1 0 364.493 3.836 20 30 FHEDRO COc1cccc(SCC[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC001167318897 929758131 /nfs/dbraw/zinc/75/81/31/929758131.db2.gz XPSXSZKTJNGFLN-UHFFFAOYSA-N 1 0 367.518 3.871 20 30 FHEDRO Cc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)c(OCC[NH+](C)C)c1 ZINC000610326478 929966161 /nfs/dbraw/zinc/96/61/61/929966161.db2.gz VHZMIIPMFNPJQP-MRXNPFEDSA-N 1 0 366.465 3.690 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000610343321 930039766 /nfs/dbraw/zinc/03/97/66/930039766.db2.gz DGVXNLAVHZBERW-IAEZVDICSA-N 1 0 351.494 3.682 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(Br)c1 ZINC000610343417 930044319 /nfs/dbraw/zinc/04/43/19/930044319.db2.gz GHJMGPATYVMKKQ-QWHCGFSZSA-N 1 0 372.266 3.999 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1 ZINC000610346243 930046912 /nfs/dbraw/zinc/04/69/12/930046912.db2.gz QJEHOWBOMRKMTF-CHWSQXEVSA-N 1 0 372.266 3.999 20 30 FHEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1=O ZINC000610346466 930056805 /nfs/dbraw/zinc/05/68/05/930056805.db2.gz VKQXFDKWTONACB-BEFAXECRSA-N 1 0 351.425 3.852 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000610347789 930057447 /nfs/dbraw/zinc/05/74/47/930057447.db2.gz XJVXYBHNNUVAGY-UTKZUKDTSA-N 1 0 362.477 3.756 20 30 FHEDRO C[C@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000610348344 930059694 /nfs/dbraw/zinc/05/96/94/930059694.db2.gz HBIJMZPCOYBKKM-KSZLIROESA-N 1 0 356.514 3.677 20 30 FHEDRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(C#N)c1 ZINC000610351039 930076088 /nfs/dbraw/zinc/07/60/88/930076088.db2.gz IUFKDLFZEIXSPG-LAUBAEHRSA-N 1 0 368.525 3.963 20 30 FHEDRO COc1cc(C[NH2+]Cc2cc(C#N)cs2)cc(Br)c1OC ZINC000177697009 930167778 /nfs/dbraw/zinc/16/77/78/930167778.db2.gz QIMYBMBDPSXQGJ-UHFFFAOYSA-N 1 0 367.268 3.689 20 30 FHEDRO CCC[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000047740360 930171506 /nfs/dbraw/zinc/17/15/06/930171506.db2.gz NAKXBVBOOZIABZ-UHFFFAOYSA-N 1 0 353.441 3.568 20 30 FHEDRO N#Cc1cnn(-c2ccc(F)cc2)c1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210706203 930185490 /nfs/dbraw/zinc/18/54/90/930185490.db2.gz UXUFBMSMGXYODW-SFHVURJKSA-N 1 0 351.429 3.827 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@H]([S@@](=O)CC)C2)c(O)c1 ZINC000175896354 930258053 /nfs/dbraw/zinc/25/80/53/930258053.db2.gz DMODYGNBNOFCLO-RWQIHWOWSA-N 1 0 350.528 3.737 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)c2)cc1 ZINC000560984030 930264816 /nfs/dbraw/zinc/26/48/16/930264816.db2.gz LKTLRYDBGBASDL-SFHVURJKSA-N 1 0 362.433 3.709 20 30 FHEDRO C=C[C@](C)(O)CC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000583411119 937419030 /nfs/dbraw/zinc/41/90/30/937419030.db2.gz VZZCTEAJVSGQOG-AEFFLSMTSA-N 1 0 372.431 3.532 20 30 FHEDRO O=C(C[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)NCc1ccc(F)cc1 ZINC000580308533 930467348 /nfs/dbraw/zinc/46/73/48/930467348.db2.gz JZQQKUCXVPMZMQ-NRFANRHFSA-N 1 0 364.464 3.596 20 30 FHEDRO CCOc1cc(C#N)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000579530996 930490604 /nfs/dbraw/zinc/49/06/04/930490604.db2.gz QGSNQGVYHLWEHT-FQEVSTJZSA-N 1 0 366.461 3.627 20 30 FHEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000255387056 930493185 /nfs/dbraw/zinc/49/31/85/930493185.db2.gz BNUZZORESXLLNV-LIRRHRJNSA-N 1 0 373.547 3.765 20 30 FHEDRO Cc1cccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000610432906 930531895 /nfs/dbraw/zinc/53/18/95/930531895.db2.gz JPVRPVRMMAYREE-UHFFFAOYSA-N 1 0 368.506 3.663 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000177755561 930596301 /nfs/dbraw/zinc/59/63/01/930596301.db2.gz UGXVMBQRRJALKN-UHFFFAOYSA-N 1 0 361.489 3.522 20 30 FHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 ZINC000580509019 930776999 /nfs/dbraw/zinc/77/69/99/930776999.db2.gz OZTDGLMFACVETM-DYESRHJHSA-N 1 0 372.415 3.678 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CCC(C)C)c1C#N ZINC000610447447 930853547 /nfs/dbraw/zinc/85/35/47/930853547.db2.gz OWPHSVGTZQODDX-UHFFFAOYSA-N 1 0 370.497 3.924 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000119248933 930951767 /nfs/dbraw/zinc/95/17/67/930951767.db2.gz GPVFTJIJZLMOCN-PBHICJAKSA-N 1 0 369.415 3.619 20 30 FHEDRO COc1ncc(Br)cc1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001203155751 931027726 /nfs/dbraw/zinc/02/77/26/931027726.db2.gz GRBIZCZDBDOOJK-UHFFFAOYSA-N 1 0 360.255 3.631 20 30 FHEDRO COc1ccc(CC[N@@H+](Cc2nc(C#N)cs2)CC(C)C)cc1OC ZINC000580805664 931172612 /nfs/dbraw/zinc/17/26/12/931172612.db2.gz AIXHWTJVCIMNJJ-UHFFFAOYSA-N 1 0 359.495 3.733 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)Cc1ccccc1 ZINC000119340115 931216766 /nfs/dbraw/zinc/21/67/66/931216766.db2.gz CURUGLUKAYQTRO-KRWDZBQOSA-N 1 0 371.431 3.519 20 30 FHEDRO N#Cc1cc(Cl)cc(Br)c1N1CCN(C2CCC2)CC1 ZINC000561185974 931223796 /nfs/dbraw/zinc/22/37/96/931223796.db2.gz OJBJSUFFDYHVRY-UHFFFAOYSA-N 1 0 354.679 3.649 20 30 FHEDRO COc1ccc(C2(c3nc(-c4ccc(C#N)c(C)c4)no3)CC[NH2+]CC2)cc1 ZINC001211503275 931255168 /nfs/dbraw/zinc/25/51/68/931255168.db2.gz WJLVVRJOCPHFQX-UHFFFAOYSA-N 1 0 374.444 3.595 20 30 FHEDRO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328756456 931326395 /nfs/dbraw/zinc/32/63/95/931326395.db2.gz UFDWYNJTSWWOPU-QGZVFWFLSA-N 1 0 371.481 3.834 20 30 FHEDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000177857032 931327571 /nfs/dbraw/zinc/32/75/71/931327571.db2.gz IHRPLRGCVKLSJY-INIZCTEOSA-N 1 0 365.502 3.733 20 30 FHEDRO COc1cc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)ccc1C ZINC000160691028 931336944 /nfs/dbraw/zinc/33/69/44/931336944.db2.gz PXNZXZXXRKEJHW-UHFFFAOYSA-N 1 0 353.344 3.829 20 30 FHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001167442508 931463104 /nfs/dbraw/zinc/46/31/04/931463104.db2.gz FMIGQUVIXNMFAY-MOPGFXCFSA-N 1 0 357.498 3.802 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000155963262 931468974 /nfs/dbraw/zinc/46/89/74/931468974.db2.gz PGXHCMPLVYGIAB-INIZCTEOSA-N 1 0 370.522 3.949 20 30 FHEDRO CN(C)[C@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000581019510 931474919 /nfs/dbraw/zinc/47/49/19/931474919.db2.gz GEEJDGVCUNMDJJ-PZJWPPBQSA-N 1 0 367.880 3.510 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077203865 931514180 /nfs/dbraw/zinc/51/41/80/931514180.db2.gz BEWYTOSKKDPYDM-JKSUJKDBSA-N 1 0 358.511 3.640 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000255263807 931551727 /nfs/dbraw/zinc/55/17/27/931551727.db2.gz UPCOEKNXQRGHPH-OJLKCKLKSA-N 1 0 359.473 3.741 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\C2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC000255267377 931562578 /nfs/dbraw/zinc/56/25/78/931562578.db2.gz RFIHRJFJDNSVMK-JLPGSUDCSA-N 1 0 366.509 3.717 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 ZINC000175979140 931564220 /nfs/dbraw/zinc/56/42/20/931564220.db2.gz LIFPAEHNGJYYQN-CRAIPNDOSA-N 1 0 355.869 3.999 20 30 FHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(F)cc1C#N ZINC000177922295 931569004 /nfs/dbraw/zinc/56/90/04/931569004.db2.gz CVJMKAFNFPLKRK-UHFFFAOYSA-N 1 0 354.429 3.813 20 30 FHEDRO CCOc1ccc(NC(=O)CC[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000177926213 931603299 /nfs/dbraw/zinc/60/32/99/931603299.db2.gz IAPVZJCRFCGTNJ-UHFFFAOYSA-N 1 0 363.461 3.950 20 30 FHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2cn(C)nc2C(F)(F)F)cc1 ZINC000160805675 931663803 /nfs/dbraw/zinc/66/38/03/931663803.db2.gz RFKXTFNIGVJINN-LLVKDONJSA-N 1 0 353.392 3.879 20 30 FHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2cn(C)nc2C(F)(F)F)cc1 ZINC000160805797 931664576 /nfs/dbraw/zinc/66/45/76/931664576.db2.gz RFKXTFNIGVJINN-NSHDSACASA-N 1 0 353.392 3.879 20 30 FHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000581218860 931694607 /nfs/dbraw/zinc/69/46/07/931694607.db2.gz BIBCPYQMOPRAKM-PMACEKPBSA-N 1 0 365.525 3.679 20 30 FHEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000156975188 931752224 /nfs/dbraw/zinc/75/22/24/931752224.db2.gz LXFQZNNZUAHFIT-FGZHOGPDSA-N 1 0 374.488 3.567 20 30 FHEDRO CCCCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C1(C)C ZINC000477062336 931793838 /nfs/dbraw/zinc/79/38/38/931793838.db2.gz XHBSFMIGKXGXRH-CVEARBPZSA-N 1 0 363.527 3.864 20 30 FHEDRO CC(C)[C@@H](C#N)N1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000610504453 931998540 /nfs/dbraw/zinc/99/85/40/931998540.db2.gz ANUYTEFCDBYMCQ-GOSISDBHSA-N 1 0 353.432 3.804 20 30 FHEDRO CC(C)[C@H](C#N)N1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000610504455 931998834 /nfs/dbraw/zinc/99/88/34/931998834.db2.gz ANUYTEFCDBYMCQ-SFHVURJKSA-N 1 0 353.432 3.804 20 30 FHEDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000581421813 932024275 /nfs/dbraw/zinc/02/42/75/932024275.db2.gz FGBABFNEPNPMIL-NQIIRXRSSA-N 1 0 366.509 3.979 20 30 FHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000605408385 932067321 /nfs/dbraw/zinc/06/73/21/932067321.db2.gz OPQNIKKFPNRPAN-GOSISDBHSA-N 1 0 367.518 3.953 20 30 FHEDRO C=CCOc1c(Br)cc(CN(C)CC(C)(C)[NH3+])cc1OCC ZINC000656783592 932411187 /nfs/dbraw/zinc/41/11/87/932411187.db2.gz QWIHOEODCVKNAT-UHFFFAOYSA-N 1 0 371.319 3.582 20 30 FHEDRO C#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000933373909 932501999 /nfs/dbraw/zinc/50/19/99/932501999.db2.gz UFOHUMRVKPTFEH-UHFFFAOYSA-N 1 0 368.868 3.502 20 30 FHEDRO C=CCN(C)C(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000155737781 932608438 /nfs/dbraw/zinc/60/84/38/932608438.db2.gz VADUKQJFAJFYTO-IRXDYDNUSA-N 1 0 353.869 3.830 20 30 FHEDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000548212071 932636634 /nfs/dbraw/zinc/63/66/34/932636634.db2.gz WMVGUWZXPJQWIJ-SJLPKXTDSA-N 1 0 369.490 3.847 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCOC1 ZINC000328818568 932681685 /nfs/dbraw/zinc/68/16/85/932681685.db2.gz OIIPIDZYAWTUPP-HZSPNIEDSA-N 1 0 361.511 3.880 20 30 FHEDRO CC1(C)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H]1c1ccccc1 ZINC000933513140 932753731 /nfs/dbraw/zinc/75/37/31/932753731.db2.gz NXKHLGCWFYLTPC-PMACEKPBSA-N 1 0 356.510 3.573 20 30 FHEDRO C=CC[N@H+](Cc1cccs1)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000051262528 932760373 /nfs/dbraw/zinc/76/03/73/932760373.db2.gz FSHRYTDLUMCXPI-KRWDZBQOSA-N 1 0 355.507 3.764 20 30 FHEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1OCC(=O)N(C)C ZINC000178178757 932761997 /nfs/dbraw/zinc/76/19/97/932761997.db2.gz BNTSPNYEJRHPNQ-OXQOHEQNSA-N 1 0 365.477 3.827 20 30 FHEDRO COc1cc2[nH+]ccc(N3CCC(C#N)(c4ccccn4)CC3)c2cc1OC ZINC000581871520 932770151 /nfs/dbraw/zinc/77/01/51/932770151.db2.gz ZHXUTONADULDPZ-UHFFFAOYSA-N 1 0 374.444 3.709 20 30 FHEDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1ncc(C#N)cc1Cl ZINC000891569597 932775032 /nfs/dbraw/zinc/77/50/32/932775032.db2.gz QAKPDNJIUCORPM-OAHLLOKOSA-N 1 0 370.884 3.820 20 30 FHEDRO N#Cc1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000165838935 932830857 /nfs/dbraw/zinc/83/08/57/932830857.db2.gz QEPSFUUTNSLDLQ-UHFFFAOYSA-N 1 0 354.385 3.682 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000548318692 932948934 /nfs/dbraw/zinc/94/89/34/932948934.db2.gz CKLVOSGMNWHMMA-QGZVFWFLSA-N 1 0 362.260 3.898 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000247413838 932955366 /nfs/dbraw/zinc/95/53/66/932955366.db2.gz JGZZURNPYUMITJ-HKUYNNGSSA-N 1 0 368.506 3.502 20 30 FHEDRO C=CCn1c(N(C)C2CC[NH+](Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC000581972173 933149579 /nfs/dbraw/zinc/14/95/79/933149579.db2.gz ZPOYEACEOYUAOL-UHFFFAOYSA-N 1 0 367.541 3.862 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C)[NH+](C)C ZINC000510630913 933328712 /nfs/dbraw/zinc/32/87/12/933328712.db2.gz DNMKBKDOGVVIPL-OAHLLOKOSA-N 1 0 352.438 3.731 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000610615026 933538262 /nfs/dbraw/zinc/53/82/62/933538262.db2.gz SBRRSSCVFFHJPW-IBGZPJMESA-N 1 0 371.431 3.866 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000187662192 934026620 /nfs/dbraw/zinc/02/66/20/934026620.db2.gz XPKLTQPKUFWVCU-KRWDZBQOSA-N 1 0 359.473 3.921 20 30 FHEDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610783292 934181925 /nfs/dbraw/zinc/18/19/25/934181925.db2.gz BLYGJTSDSSIHBE-OFNKIYASSA-N 1 0 364.489 3.748 20 30 FHEDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000187739171 934200100 /nfs/dbraw/zinc/20/01/00/934200100.db2.gz ZEBVNCICQPMOJM-UHFFFAOYSA-N 1 0 366.461 3.672 20 30 FHEDRO N#CC1(F)CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000510947834 934211976 /nfs/dbraw/zinc/21/19/76/934211976.db2.gz DMLNZZAMCJOQLX-UHFFFAOYSA-N 1 0 365.452 3.610 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000510979451 934247878 /nfs/dbraw/zinc/24/78/78/934247878.db2.gz OQTVNJWTCSEQKJ-LPHOPBHVSA-N 1 0 365.452 3.582 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000510979453 934247906 /nfs/dbraw/zinc/24/79/06/934247906.db2.gz OQTVNJWTCSEQKJ-VQIMIIECSA-N 1 0 365.452 3.582 20 30 FHEDRO CCCC[NH+]1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458171944 934343751 /nfs/dbraw/zinc/34/37/51/934343751.db2.gz VOFDZPBPSZYRBT-HXUWFJFHSA-N 1 0 356.514 3.985 20 30 FHEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000610829970 934502527 /nfs/dbraw/zinc/50/25/27/934502527.db2.gz VDJBKKXEADKUCT-CABCVRRESA-N 1 0 367.449 3.643 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000610859526 934533404 /nfs/dbraw/zinc/53/34/04/934533404.db2.gz GWBRTVWZFPKTQZ-UHFFFAOYSA-N 1 0 361.489 3.507 20 30 FHEDRO CC(=O)c1cc(F)ccc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000684626686 934659072 /nfs/dbraw/zinc/65/90/72/934659072.db2.gz ZYRHTVGOVAADNJ-UHFFFAOYSA-N 1 0 351.425 3.612 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(Cl)c(C#N)c1)C1CC1 ZINC000548504295 934663577 /nfs/dbraw/zinc/66/35/77/934663577.db2.gz JQOZAHYIPWYJJQ-FQEVSTJZSA-N 1 0 367.880 3.852 20 30 FHEDRO C[NH+](C)CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000181500239 934709528 /nfs/dbraw/zinc/70/95/28/934709528.db2.gz MASOGUUTCDUTOL-KRWDZBQOSA-N 1 0 356.857 3.679 20 30 FHEDRO C=C(C)[C@H](CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)OCC ZINC000535896149 934726377 /nfs/dbraw/zinc/72/63/77/934726377.db2.gz WTIBVGXLYJMTAY-NRFANRHFSA-N 1 0 358.526 3.906 20 30 FHEDRO C=CCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181551457 934740830 /nfs/dbraw/zinc/74/08/30/934740830.db2.gz RCTLLIQUATXPHF-WMZOPIPTSA-N 1 0 372.509 3.643 20 30 FHEDRO Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)n2c3ccccc3nc2c1C#N ZINC000538193919 934807941 /nfs/dbraw/zinc/80/79/41/934807941.db2.gz GCBZEVPZSMOFDV-UHFFFAOYSA-N 1 0 359.477 3.732 20 30 FHEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000538323670 934828834 /nfs/dbraw/zinc/82/88/34/934828834.db2.gz QVYQPLRSRBMZCM-BLEKSLEDSA-N 1 0 370.880 3.938 20 30 FHEDRO N#Cc1ccccc1Cn1cccc1C[NH2+]Cc1ccccc1-n1ccnc1 ZINC000187712542 934863335 /nfs/dbraw/zinc/86/33/35/934863335.db2.gz SYQKKIGGSJMHCX-UHFFFAOYSA-N 1 0 367.456 3.884 20 30 FHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431286645 934882570 /nfs/dbraw/zinc/88/25/70/934882570.db2.gz ZFMMVEVMLNVTHL-HBFSDRIKSA-N 1 0 356.514 3.841 20 30 FHEDRO N#Cc1ccc([C@@H](O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000156710105 934896931 /nfs/dbraw/zinc/89/69/31/934896931.db2.gz GAUXZEOGYMAUMS-AQNXPRMDSA-N 1 0 354.450 3.553 20 30 FHEDRO C=CCc1cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)cc(OC)c1O ZINC000472050975 934901211 /nfs/dbraw/zinc/90/12/11/934901211.db2.gz CVAYOZUKALDGPX-KKSFZXQISA-N 1 0 354.494 3.910 20 30 FHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCSCc2ccc(C)cc2)c1 ZINC000104156580 935003830 /nfs/dbraw/zinc/00/38/30/935003830.db2.gz SCRLURYIEMLZEZ-UHFFFAOYSA-N 1 0 359.495 3.672 20 30 FHEDRO COc1ccc(C(C)(C)CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)cc1 ZINC000104182508 935004523 /nfs/dbraw/zinc/00/45/23/935004523.db2.gz FTJNNRGQWBMAJQ-UHFFFAOYSA-N 1 0 369.465 3.561 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548616121 935013997 /nfs/dbraw/zinc/01/39/97/935013997.db2.gz RJIKZQHJTYOFHE-YWZLYKJASA-N 1 0 367.880 3.852 20 30 FHEDRO N#Cc1cccc(OCC[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC001167533986 935148717 /nfs/dbraw/zinc/14/87/17/935148717.db2.gz PJLKJKQQMSEJBE-JOCHJYFZSA-N 1 0 350.462 3.699 20 30 FHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)C12CCCCC2 ZINC001167538307 935150151 /nfs/dbraw/zinc/15/01/51/935150151.db2.gz BDVKZHQHSBVTTL-RBUKOAKNSA-N 1 0 355.482 3.556 20 30 FHEDRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000472140841 935163773 /nfs/dbraw/zinc/16/37/73/935163773.db2.gz UQYVONMYMCEDIS-QGZVFWFLSA-N 1 0 364.493 3.755 20 30 FHEDRO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3ccc4ccccc4c3)CC2)c1C#N ZINC000472148752 935203711 /nfs/dbraw/zinc/20/37/11/935203711.db2.gz AKNYCHDNGASZQV-KRWDZBQOSA-N 1 0 359.477 3.637 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000660510818 945083699 /nfs/dbraw/zinc/08/36/99/945083699.db2.gz GRMVFBVBUXKUSB-SFHVURJKSA-N 1 0 361.555 3.958 20 30 FHEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051425868 935246774 /nfs/dbraw/zinc/24/67/74/935246774.db2.gz RKGKYHQVSMBFRL-BEFAXECRSA-N 1 0 358.869 3.839 20 30 FHEDRO C[N@H+](CC#Cc1ccccc1Cl)Cc1ccc(N2CCOCC2)cc1 ZINC000134962022 935252668 /nfs/dbraw/zinc/25/26/68/935252668.db2.gz BBTKSDGRXOPVEI-UHFFFAOYSA-N 1 0 354.881 3.660 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@H](c2ncccc2C)C(C)(C)C)c(C#N)c1C ZINC000934292244 935269769 /nfs/dbraw/zinc/26/97/69/935269769.db2.gz OTXBZDJSXAGLRN-GOSISDBHSA-N 1 0 354.454 3.787 20 30 FHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000562023670 935375426 /nfs/dbraw/zinc/37/54/26/935375426.db2.gz PNRKCZHRTQRREB-HXUWFJFHSA-N 1 0 366.465 3.770 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CSCC1CC[NH2+]CC1 ZINC000582178954 935380222 /nfs/dbraw/zinc/38/02/22/935380222.db2.gz BQKZAADSSXGNJP-CQSZACIVSA-N 1 0 363.552 3.610 20 30 FHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(N=Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000158272022 935478007 /nfs/dbraw/zinc/47/80/07/935478007.db2.gz BAPQWQZFPLHLSD-WTJYETQFSA-N 1 0 360.461 3.980 20 30 FHEDRO C[C@]12C[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000582281892 935485908 /nfs/dbraw/zinc/48/59/08/935485908.db2.gz LIKPAOCGHMPAKA-UGGKCQTMSA-N 1 0 361.493 3.727 20 30 FHEDRO CCCOc1cccc2c(N3CCN(c4ccc(C#N)cn4)CC3)ccnc12 ZINC000478298533 935611796 /nfs/dbraw/zinc/61/17/96/935611796.db2.gz JCSDIAQQXNDXIA-UHFFFAOYSA-N 1 0 373.460 3.617 20 30 FHEDRO CSc1ccccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000511109194 935611829 /nfs/dbraw/zinc/61/18/29/935611829.db2.gz JXQINYJVQQDYPY-UHFFFAOYSA-N 1 0 351.519 3.988 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000431402419 935659019 /nfs/dbraw/zinc/65/90/19/935659019.db2.gz JZSHDYIMVCLGJY-VDGAXYAQSA-N 1 0 356.514 3.819 20 30 FHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187757353 935675990 /nfs/dbraw/zinc/67/59/90/935675990.db2.gz DCFQBZKJAZBDJY-IFXJQAMLSA-N 1 0 351.368 3.751 20 30 FHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)sc2C1 ZINC000519105666 945128743 /nfs/dbraw/zinc/12/87/43/945128743.db2.gz OYRYUCXMSIWZCY-UICACZKSSA-N 1 0 357.523 3.851 20 30 FHEDRO C=CCN(CC=C)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000611642905 935863904 /nfs/dbraw/zinc/86/39/04/935863904.db2.gz GESNFOPJHPBCDM-FQEVSTJZSA-N 1 0 357.498 3.606 20 30 FHEDRO CC(C)(C#N)CCCC[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000277737460 935868447 /nfs/dbraw/zinc/86/84/47/935868447.db2.gz OQBYQLJTVHLDDC-QGZVFWFLSA-N 1 0 355.404 3.716 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1OC ZINC000237258762 935872398 /nfs/dbraw/zinc/87/23/98/935872398.db2.gz CGJHIPGJZAWBNP-LJQANCHMSA-N 1 0 368.477 3.813 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000153024812 935934409 /nfs/dbraw/zinc/93/44/09/935934409.db2.gz HYCONEADQCTLNP-GOSISDBHSA-N 1 0 368.525 3.631 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062230480 935951500 /nfs/dbraw/zinc/95/15/00/935951500.db2.gz JACICPKBHJAIIA-HXUWFJFHSA-N 1 0 364.489 3.893 20 30 FHEDRO N#Cc1csc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000158741756 935955308 /nfs/dbraw/zinc/95/53/08/935955308.db2.gz KQSPKRCXAHPNFR-UHFFFAOYSA-N 1 0 351.475 3.677 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2COC(C)(C)C2)cc1OC ZINC000657530712 935964507 /nfs/dbraw/zinc/96/45/07/935964507.db2.gz RNGPEOQYMGDPFF-ZDUSSCGKSA-N 1 0 370.287 3.680 20 30 FHEDRO N#CCOc1cccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000077747687 936054295 /nfs/dbraw/zinc/05/42/95/936054295.db2.gz WCXIMLZHOYUMFD-FQEVSTJZSA-N 1 0 364.449 3.548 20 30 FHEDRO C=CCC1([NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)CCOCC1 ZINC000657634870 936125435 /nfs/dbraw/zinc/12/54/35/936125435.db2.gz QSLATQPUKKMOKD-UHFFFAOYSA-N 1 0 371.424 3.563 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1 ZINC000078460989 936166638 /nfs/dbraw/zinc/16/66/38/936166638.db2.gz JNKRQWOJCMQCNX-UHFFFAOYSA-N 1 0 363.509 3.712 20 30 FHEDRO Cc1nc(N2C(C)(C)CC([NH3+])CC2(C)C)c(C#N)c(C)c1Br ZINC001167624426 936183502 /nfs/dbraw/zinc/18/35/02/936183502.db2.gz HOTRUIWWZLCCLD-UHFFFAOYSA-N 1 0 365.319 3.817 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000078531640 936197815 /nfs/dbraw/zinc/19/78/15/936197815.db2.gz OEDLZCCHOVRADU-FXAWDEMLSA-N 1 0 362.477 3.899 20 30 FHEDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCO1 ZINC000583423152 938249292 /nfs/dbraw/zinc/24/92/92/938249292.db2.gz CJCUZYRKMNKCOY-IHPCNDPISA-N 1 0 350.466 3.569 20 30 FHEDRO Cc1cc(OC[C@@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)c(C(C)C)cc1Cl ZINC000583435924 938253669 /nfs/dbraw/zinc/25/36/69/938253669.db2.gz KHYMGGRPXKGBHR-XHSDSOJGSA-N 1 0 350.890 3.793 20 30 FHEDRO Cc1cc[n+](C(C(=O)c2nccs2)C(=S)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000278268404 938265209 /nfs/dbraw/zinc/26/52/09/938265209.db2.gz OMVHSNUDMRLGNG-GJZGRUSLSA-O 1 0 374.555 3.846 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(C#N)cs1 ZINC000511802694 945161677 /nfs/dbraw/zinc/16/16/77/945161677.db2.gz SYXBILWYRWALCT-SFHVURJKSA-N 1 0 353.491 3.650 20 30 FHEDRO C=CCC[C@H](C)[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000449677407 938269659 /nfs/dbraw/zinc/26/96/59/938269659.db2.gz AZPMCBFWPSZZBK-KBPBESRZSA-N 1 0 356.304 3.553 20 30 FHEDRO CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000329154114 938270075 /nfs/dbraw/zinc/27/00/75/938270075.db2.gz AKUYGQCVAGQKRA-IAGOWNOFSA-N 1 0 368.481 3.966 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245433764 938295917 /nfs/dbraw/zinc/29/59/17/938295917.db2.gz PIVAFADRRNGROZ-FUHWJXTLSA-N 1 0 361.555 3.565 20 30 FHEDRO CCc1nc2c(s1)[C@@H]([NH2+]C1CCN(c3ccc(C#N)cn3)CC1)CCC2 ZINC000161707608 938300490 /nfs/dbraw/zinc/30/04/90/938300490.db2.gz CSBJFFKVTOHWPD-INIZCTEOSA-N 1 0 367.522 3.608 20 30 FHEDRO C=CCN(CC=C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245696871 938310228 /nfs/dbraw/zinc/31/02/28/938310228.db2.gz MQRKWXIXWABTNK-CRAIPNDOSA-N 1 0 365.880 3.856 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000329275937 938312235 /nfs/dbraw/zinc/31/22/35/938312235.db2.gz BVSKDZLZKKTXJS-UZLBHIALSA-N 1 0 352.482 3.846 20 30 FHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000245951273 938328884 /nfs/dbraw/zinc/32/88/84/938328884.db2.gz PIQFHGYCWSHCIL-LLGFUMIMSA-N 1 0 356.510 3.770 20 30 FHEDRO N#CCc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000583640147 938335180 /nfs/dbraw/zinc/33/51/80/938335180.db2.gz CDBPJCXAVLBCCW-QGZVFWFLSA-N 1 0 368.868 3.652 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1nccs1)[n+]1ccc(C(C)(C)C)cc1 ZINC000278355834 938336276 /nfs/dbraw/zinc/33/62/76/938336276.db2.gz XUBYZJBHSASHKC-UHFFFAOYSA-O 1 0 374.555 3.833 20 30 FHEDRO C[C@H]1C[C@H](N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000583675943 938353330 /nfs/dbraw/zinc/35/33/30/938353330.db2.gz NGPPHDPXRCEYFL-OXJNMPFZSA-N 1 0 364.449 3.956 20 30 FHEDRO C[C@@H](CCNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000458678982 938412566 /nfs/dbraw/zinc/41/25/66/938412566.db2.gz VRJWCWFDFDYLCB-AZUAARDMSA-N 1 0 356.514 3.985 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000458677455 938415861 /nfs/dbraw/zinc/41/58/61/938415861.db2.gz PSOSTJFOUZKQBJ-MAUKXSAKSA-N 1 0 351.441 3.706 20 30 FHEDRO COc1ccccc1[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329490472 938444649 /nfs/dbraw/zinc/44/46/49/938444649.db2.gz HWNYRCCDXDSAKT-IXDOHACOSA-N 1 0 359.514 3.913 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)cc1C#N ZINC000157929521 938455108 /nfs/dbraw/zinc/45/51/08/938455108.db2.gz JORRXDLBWNMIPC-INIZCTEOSA-N 1 0 370.497 3.826 20 30 FHEDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000329536094 938468158 /nfs/dbraw/zinc/46/81/58/938468158.db2.gz LUEHIOJHLBJZQG-IOMROCGXSA-N 1 0 373.541 3.636 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000536162032 938482029 /nfs/dbraw/zinc/48/20/29/938482029.db2.gz YCBCSQDLWINQOH-HXUWFJFHSA-N 1 0 359.489 3.925 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000151272147 938517268 /nfs/dbraw/zinc/51/72/68/938517268.db2.gz AQQHYXIWJFNMNV-ICSRJNTNSA-N 1 0 356.514 3.699 20 30 FHEDRO CC(C)CSCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278581713 938556160 /nfs/dbraw/zinc/55/61/60/938556160.db2.gz FYDOWVZNTYYVAP-UHFFFAOYSA-N 1 0 357.527 3.728 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000329628948 938556220 /nfs/dbraw/zinc/55/62/20/938556220.db2.gz QCDDDAIUOGTNGQ-SJORKVTESA-N 1 0 352.438 3.545 20 30 FHEDRO C[NH+](C)CCC1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458795620 938596737 /nfs/dbraw/zinc/59/67/37/938596737.db2.gz CQDMMTPWCNBSIP-FQEVSTJZSA-N 1 0 356.514 3.795 20 30 FHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(-c2ccncc2)n1 ZINC000278634779 938604181 /nfs/dbraw/zinc/60/41/81/938604181.db2.gz KWYVEWPQRGFUQP-BDTNDASRSA-N 1 0 369.472 3.534 20 30 FHEDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(CC#N)cc1 ZINC000584112983 938605651 /nfs/dbraw/zinc/60/56/51/938605651.db2.gz VEEZPONUHTWQNN-MRXNPFEDSA-N 1 0 369.896 3.933 20 30 FHEDRO Cc1cccc([C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)N2CCOCC2)c1 ZINC000584142754 938618367 /nfs/dbraw/zinc/61/83/67/938618367.db2.gz QQQYLJJZKSRMAC-PKTZIBPZSA-N 1 0 361.489 3.517 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000516737521 945196052 /nfs/dbraw/zinc/19/60/52/945196052.db2.gz HBYXIINKOKKEQO-SFHVURJKSA-N 1 0 358.526 3.850 20 30 FHEDRO Cc1cccc(Oc2ccccc2C[NH2+]Cc2cnc3c(C#N)cnn3c2)c1 ZINC000584164343 938623124 /nfs/dbraw/zinc/62/31/24/938623124.db2.gz PVGFGDYIAWOWBK-UHFFFAOYSA-N 1 0 369.428 3.992 20 30 FHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CCCC1 ZINC000052908625 938655023 /nfs/dbraw/zinc/65/50/23/938655023.db2.gz HQMNDADTXWXPET-UHFFFAOYSA-N 1 0 368.481 3.821 20 30 FHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCOc3ccccc32)c(-c2ccncc2)n1 ZINC000278697340 938664114 /nfs/dbraw/zinc/66/41/14/938664114.db2.gz QNXRPACJRCUXNG-SFHVURJKSA-N 1 0 373.460 3.515 20 30 FHEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)c1c(C)nn(C)c1C ZINC000525695831 938683917 /nfs/dbraw/zinc/68/39/17/938683917.db2.gz CTHUMWUWQORGGU-GOSISDBHSA-N 1 0 370.497 3.969 20 30 FHEDRO C[NH+](C)Cc1cccc(NCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278750630 938795272 /nfs/dbraw/zinc/79/52/72/938795272.db2.gz WGIUKEGJBUJELM-UHFFFAOYSA-N 1 0 360.465 3.532 20 30 FHEDRO Cc1ncsc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000329792412 938811424 /nfs/dbraw/zinc/81/14/24/938811424.db2.gz AALQSYIMERPZRB-BBRMVZONSA-N 1 0 364.540 3.600 20 30 FHEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000118394850 938818807 /nfs/dbraw/zinc/81/88/07/938818807.db2.gz HDGIHILKMSRKAT-INIZCTEOSA-N 1 0 367.518 3.752 20 30 FHEDRO CC1(C)CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000519197653 945208990 /nfs/dbraw/zinc/20/89/90/945208990.db2.gz LWPVKFXQKFAZNV-UHFFFAOYSA-N 1 0 366.440 3.826 20 30 FHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511823524 945209768 /nfs/dbraw/zinc/20/97/68/945209768.db2.gz QTSXGNAFWMSYPS-IRXDYDNUSA-N 1 0 367.415 3.693 20 30 FHEDRO O=C(NCc1coc(-c2ccccc2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329807794 938855707 /nfs/dbraw/zinc/85/57/07/938855707.db2.gz OXSJZTGHGDPFAS-UHFFFAOYSA-N 1 0 368.481 3.706 20 30 FHEDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000472327416 938970910 /nfs/dbraw/zinc/97/09/10/938970910.db2.gz LRUITVSBZWJVIB-VMRPVKRXSA-N 1 0 354.425 3.520 20 30 FHEDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611939320 938993746 /nfs/dbraw/zinc/99/37/46/938993746.db2.gz ICTOZUNAYZTKAG-CQSZACIVSA-N 1 0 368.506 3.881 20 30 FHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CC[C@H]2CCCO2)c1C#N ZINC000467154372 938993988 /nfs/dbraw/zinc/99/39/88/938993988.db2.gz YTANJNUSPUJJSN-GOSISDBHSA-N 1 0 372.513 3.531 20 30 FHEDRO C[C@H](CCSc1ccccc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000431619313 939009789 /nfs/dbraw/zinc/00/97/89/939009789.db2.gz IGBMXZKEDKCIQM-QGZVFWFLSA-N 1 0 352.507 3.646 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000657944539 939010363 /nfs/dbraw/zinc/01/03/63/939010363.db2.gz OMEZJQPVYXBMRY-GHTZIAJQSA-N 1 0 355.526 3.931 20 30 FHEDRO C(=[NH+]OCc1ncc(-c2ccccc2)o1)c1ccc(N2CCOCC2)cc1 ZINC000255657481 939037991 /nfs/dbraw/zinc/03/79/91/939037991.db2.gz PXMJOWLLQRBCQW-UHFFFAOYSA-N 1 0 363.417 3.729 20 30 FHEDRO CCSc1cc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)ccn1 ZINC000518230966 945225487 /nfs/dbraw/zinc/22/54/87/945225487.db2.gz POJCEMQVDBIHRB-UHFFFAOYSA-N 1 0 352.507 3.824 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)c2ccccc2)CC1 ZINC000612114433 939078951 /nfs/dbraw/zinc/07/89/51/939078951.db2.gz FZEVWOAWDQQYIE-IRLDBZIGSA-N 1 0 368.525 3.795 20 30 FHEDRO C=CCCC1(CNC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCCC1 ZINC000658294389 939101271 /nfs/dbraw/zinc/10/12/71/939101271.db2.gz NAXVNLGUSAOTAZ-UHFFFAOYSA-N 1 0 371.525 3.638 20 30 FHEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000179471951 939167436 /nfs/dbraw/zinc/16/74/36/939167436.db2.gz GFJCSRZWWOOPCX-SFHVURJKSA-N 1 0 373.497 3.810 20 30 FHEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@]3(C#N)CC34CCCC4)C2)s1 ZINC000516777188 945246406 /nfs/dbraw/zinc/24/64/06/945246406.db2.gz PCMWAURTQDHLHI-LAUBAEHRSA-N 1 0 371.550 3.811 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414901612 945254738 /nfs/dbraw/zinc/25/47/38/945254738.db2.gz ITBONADWEQLJGQ-QAPCUYQASA-N 1 0 368.868 3.950 20 30 FHEDRO C[NH2+]CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414901669 945256603 /nfs/dbraw/zinc/25/66/03/945256603.db2.gz IZUZRUWSHVLFBF-QGZVFWFLSA-N 1 0 356.857 3.726 20 30 FHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425791491 945260182 /nfs/dbraw/zinc/26/01/82/945260182.db2.gz UOSUBQDYEPFXHQ-TXPKVOOTSA-N 1 0 368.481 3.983 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000519271063 945263125 /nfs/dbraw/zinc/26/31/25/945263125.db2.gz LXIMGUJAQTYRSN-UHFFFAOYSA-N 1 0 354.475 3.688 20 30 FHEDRO C=CCn1c(CC)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000518261641 945264326 /nfs/dbraw/zinc/26/43/26/945264326.db2.gz MWMLBMVKXOCCCG-MJGOQNOKSA-N 1 0 353.514 3.688 20 30 FHEDRO C=CCSCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511853039 945278543 /nfs/dbraw/zinc/27/85/43/945278543.db2.gz XHJVLHWRJWZRRL-GOSISDBHSA-N 1 0 361.555 3.506 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccccc2C#N)[C@@H]1c1cccs1 ZINC000255841886 939911703 /nfs/dbraw/zinc/91/17/03/939911703.db2.gz QUORSUDELIHDKQ-RPXNHKNHSA-N 1 0 365.502 3.832 20 30 FHEDRO CC(=O)N1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000375843604 939965947 /nfs/dbraw/zinc/96/59/47/939965947.db2.gz YMASFVMFMGBEGK-QFIPXVFZSA-N 1 0 374.488 3.615 20 30 FHEDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000364682818 939982124 /nfs/dbraw/zinc/98/21/24/939982124.db2.gz QGVLIFSNTNQPKG-HNNXBMFYSA-N 1 0 374.444 3.581 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1Cl ZINC000518279834 945287002 /nfs/dbraw/zinc/28/70/02/945287002.db2.gz ALEMDWKGARZCDM-LJQANCHMSA-N 1 0 370.880 3.796 20 30 FHEDRO Cc1sc(CNC(=[NH2+])N2CCSCC2)nc1-c1ccc(Cl)cc1 ZINC000262007379 945287846 /nfs/dbraw/zinc/28/78/46/945287846.db2.gz SANYKFWAYJBJKK-UHFFFAOYSA-N 1 0 366.943 3.635 20 30 FHEDRO COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000329943738 940039724 /nfs/dbraw/zinc/03/97/24/940039724.db2.gz HXBXOMPDUOTOSW-YSSFQJQWSA-N 1 0 368.481 3.766 20 30 FHEDRO C=CCSCC[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185968530 940062128 /nfs/dbraw/zinc/06/21/28/940062128.db2.gz RZVXZXPXTJLRPD-ZWKOTPCHSA-N 1 0 353.553 3.589 20 30 FHEDRO C=CCSCC[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185968578 940063371 /nfs/dbraw/zinc/06/33/71/940063371.db2.gz RZVXZXPXTJLRPD-MSOLQXFVSA-N 1 0 353.553 3.589 20 30 FHEDRO Cn1cc(C[N@H+](C)Cc2ccc(F)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000179927861 940133633 /nfs/dbraw/zinc/13/36/33/940133633.db2.gz GFCCVMDOVQUVIJ-UHFFFAOYSA-N 1 0 352.388 3.869 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000413811466 940140498 /nfs/dbraw/zinc/14/04/98/940140498.db2.gz BFNSCCKRONXXPF-OAQYLSRUSA-N 1 0 355.526 3.691 20 30 FHEDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000065981729 940147315 /nfs/dbraw/zinc/14/73/15/940147315.db2.gz MXWIWBKIBOXGRQ-DLBZAZTESA-N 1 0 365.477 3.530 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000413823965 940158660 /nfs/dbraw/zinc/15/86/60/940158660.db2.gz BOWQUDAPORIERB-LEWJYISDSA-N 1 0 355.526 3.547 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)CC1 ZINC000660597931 945300285 /nfs/dbraw/zinc/30/02/85/945300285.db2.gz SURJIOJQIDJPNZ-IBGZPJMESA-N 1 0 357.498 3.947 20 30 FHEDRO C=CCc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc(OC)c1OC ZINC000177425563 940193873 /nfs/dbraw/zinc/19/38/73/940193873.db2.gz NWTATQOGRBOCJA-UHFFFAOYSA-N 1 0 372.509 3.569 20 30 FHEDRO N#C[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000612652622 940203219 /nfs/dbraw/zinc/20/32/19/940203219.db2.gz XJMDTJYQMKZWRK-ZBFHGGJFSA-N 1 0 352.265 3.549 20 30 FHEDRO N#C[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000612652619 940203308 /nfs/dbraw/zinc/20/33/08/940203308.db2.gz XJMDTJYQMKZWRK-GDBMZVCRSA-N 1 0 352.265 3.549 20 30 FHEDRO C=CCN1C(=O)N(CCC[NH+](C(C)C)C(C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000431697654 940322487 /nfs/dbraw/zinc/32/24/87/940322487.db2.gz POLDHKJSBWDYFS-HXUWFJFHSA-N 1 0 371.525 3.557 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000066179277 940326867 /nfs/dbraw/zinc/32/68/67/940326867.db2.gz OJMZAAMOOWRCSI-LJQANCHMSA-N 1 0 370.541 3.990 20 30 FHEDRO N#Cc1ccc([C@@H](O)C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000177724959 940387324 /nfs/dbraw/zinc/38/73/24/940387324.db2.gz RXNZHSJNPQAXMP-KRWDZBQOSA-N 1 0 357.251 3.633 20 30 FHEDRO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)cc1OC ZINC000376162718 940399104 /nfs/dbraw/zinc/39/91/04/940399104.db2.gz NRPITLXEKCKPSW-OKYOBFRVSA-N 1 0 372.509 3.811 20 30 FHEDRO C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000580281066 940471716 /nfs/dbraw/zinc/47/17/16/940471716.db2.gz DCEZHQWSUIAUHH-IERDGZPVSA-N 1 0 373.456 3.626 20 30 FHEDRO N#Cc1csc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000580745896 940484599 /nfs/dbraw/zinc/48/45/99/940484599.db2.gz BRECGSMLEWWQBB-MJGOQNOKSA-N 1 0 352.507 3.501 20 30 FHEDRO C=CCC(C)(C)CNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000458805562 940490250 /nfs/dbraw/zinc/49/02/50/940490250.db2.gz AUULAJQVGPEMQI-ROUUACIJSA-N 1 0 365.562 3.510 20 30 FHEDRO C[NH+](C)C1(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCCCC1 ZINC000431780742 940496287 /nfs/dbraw/zinc/49/62/87/940496287.db2.gz GWEPRFOSUWLIPZ-IBGZPJMESA-N 1 0 356.514 3.985 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000581339815 940499837 /nfs/dbraw/zinc/49/98/37/940499837.db2.gz PNZXVJXELYQKQI-NHCUHLMSSA-N 1 0 374.488 3.853 20 30 FHEDRO C[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccccc1SCC#N ZINC000173532127 940637604 /nfs/dbraw/zinc/63/76/04/940637604.db2.gz WWAMNQOHZXPNQJ-HNNXBMFYSA-N 1 0 351.475 3.688 20 30 FHEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+]Cc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000582137499 940649672 /nfs/dbraw/zinc/64/96/72/940649672.db2.gz SITASPWYBZBORT-OAQYLSRUSA-N 1 0 370.460 3.550 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(Nc3ccc(C#N)c([N+](=O)[O-])c3)c2)CC1 ZINC000582214178 940654534 /nfs/dbraw/zinc/65/45/34/940654534.db2.gz WWJZYPQMTSXWNT-UHFFFAOYSA-N 1 0 365.437 3.740 20 30 FHEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(C#N)cc1Br ZINC000613388525 940657016 /nfs/dbraw/zinc/65/70/16/940657016.db2.gz AXXQGMZDHGVHKN-ACJLOTCBSA-N 1 0 359.267 3.575 20 30 FHEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)CS(C)(=O)=O ZINC000376284573 940703169 /nfs/dbraw/zinc/70/31/69/940703169.db2.gz ZNIDCQDAHCGFQZ-CVEARBPZSA-N 1 0 356.491 3.557 20 30 FHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccc(F)c(F)c1 ZINC000187791590 940732664 /nfs/dbraw/zinc/73/26/64/940732664.db2.gz ZXMMXIXZMNOSRL-KDOFPFPSSA-N 1 0 353.434 3.811 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000582574917 940734077 /nfs/dbraw/zinc/73/40/77/940734077.db2.gz PURMBJWWNORBAI-AZUAARDMSA-N 1 0 355.869 3.755 20 30 FHEDRO Cc1cccc(NC(=O)NCC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000330077203 945346903 /nfs/dbraw/zinc/34/69/03/945346903.db2.gz MTVLLSQGQLCRGK-UHFFFAOYSA-N 1 0 358.486 3.684 20 30 FHEDRO CCc1cccc2c1OCC[C@H]2NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330099486 945356710 /nfs/dbraw/zinc/35/67/10/945356710.db2.gz DAXYLHJUSPZSPS-HXUWFJFHSA-N 1 0 371.525 3.983 20 30 FHEDRO Cc1ccc(O[C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180255472 940884294 /nfs/dbraw/zinc/88/42/94/940884294.db2.gz GUATXETZHURBNS-QGZVFWFLSA-N 1 0 360.461 3.824 20 30 FHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000332903503 940914036 /nfs/dbraw/zinc/91/40/36/940914036.db2.gz QBPGTQOWEPFYEZ-ZWKOTPCHSA-N 1 0 371.550 3.832 20 30 FHEDRO C[C@H](O)C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180294220 940936352 /nfs/dbraw/zinc/93/63/52/940936352.db2.gz ZMXYNLUPLQYYBD-LAUBAEHRSA-N 1 0 374.488 3.603 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(SCC#N)c2)C1 ZINC000176048810 940973752 /nfs/dbraw/zinc/97/37/52/940973752.db2.gz NUFMPAOSFNWAIX-MRXNPFEDSA-N 1 0 359.539 3.933 20 30 FHEDRO CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186307790 940980060 /nfs/dbraw/zinc/98/00/60/940980060.db2.gz MBCAIYUDSRZLBB-JOCHJYFZSA-N 1 0 373.500 3.978 20 30 FHEDRO Cc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)c(C[NH+](C)C)c1 ZINC000180357907 940983492 /nfs/dbraw/zinc/98/34/92/940983492.db2.gz JUXMVAIBQPHTRZ-UHFFFAOYSA-N 1 0 359.477 3.941 20 30 FHEDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351084 940986424 /nfs/dbraw/zinc/98/64/24/940986424.db2.gz DCEATDDUMSXALS-HRAATJIYSA-N 1 0 360.461 3.561 20 30 FHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3cc(C#N)cs3)CCN2C2CC2)c1 ZINC000180379108 940992546 /nfs/dbraw/zinc/99/25/46/940992546.db2.gz HRWQWXGAUGFTQD-WOJBJXKFSA-N 1 0 353.491 3.696 20 30 FHEDRO C[Si](C)(C)C#Cc1cc(Cl)cnc1-n1nc(C[NH3+])c2ccccc21 ZINC001167697432 941004071 /nfs/dbraw/zinc/00/40/71/941004071.db2.gz YSVXOUKKIBMPQO-UHFFFAOYSA-N 1 0 354.917 3.762 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C(C)C)[C@@H](C)C1 ZINC000584511720 941018130 /nfs/dbraw/zinc/01/81/30/941018130.db2.gz KCPOOBLPGMWEDQ-QFBILLFUSA-N 1 0 366.513 3.564 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(N3CCOC3=O)cc2)c(O)c1 ZINC000782879453 941147531 /nfs/dbraw/zinc/14/75/31/941147531.db2.gz FSPOGZFBUQDRIX-JCMHNJIXSA-N 1 0 367.449 3.814 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000177916810 941153064 /nfs/dbraw/zinc/15/30/64/941153064.db2.gz LDEGASLMBWEOOI-KXBFYZLASA-N 1 0 366.440 3.872 20 30 FHEDRO C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000189481789 941158867 /nfs/dbraw/zinc/15/88/67/941158867.db2.gz AIWULGLRYVCOKZ-UHFFFAOYSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1cccc(N2CCCC2=O)c1 ZINC000181426235 941218346 /nfs/dbraw/zinc/21/83/46/941218346.db2.gz BNMJVWPSJLOHTN-QGZVFWFLSA-N 1 0 363.461 3.805 20 30 FHEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589191670 941237124 /nfs/dbraw/zinc/23/71/24/941237124.db2.gz AOXHISHSYMXIEK-IBGZPJMESA-N 1 0 365.502 3.850 20 30 FHEDRO N#CC(CC[NH+]1CCC2(CCOC2=O)CC1)(c1ccccc1)c1ccccc1 ZINC000376632914 941369296 /nfs/dbraw/zinc/36/92/96/941369296.db2.gz BDFFAFCPVJLWDL-UHFFFAOYSA-N 1 0 374.484 3.915 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c(C(F)(F)F)c1 ZINC000414548554 941377297 /nfs/dbraw/zinc/37/72/97/941377297.db2.gz KINNOPNNWHZOSA-MRXNPFEDSA-N 1 0 365.399 3.554 20 30 FHEDRO N#CC1CCC(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000376673624 941377351 /nfs/dbraw/zinc/37/73/51/941377351.db2.gz RRBHCEBVYWQGLO-GZNCHQMQSA-N 1 0 368.525 3.528 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCC[C@H](CO)C3)c2)c1 ZINC000414578707 941385115 /nfs/dbraw/zinc/38/51/15/941385115.db2.gz PSVUAQDSIVZGOE-PZJWPPBQSA-N 1 0 350.462 3.778 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000376724878 941390177 /nfs/dbraw/zinc/39/01/77/941390177.db2.gz VCDXREYOYVIVEA-UHFFFAOYSA-N 1 0 370.541 3.570 20 30 FHEDRO CC(C)C[C@@H]([NH3+])c1noc(C2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000414624807 941412487 /nfs/dbraw/zinc/41/24/87/941412487.db2.gz WBUWCSJLPASILA-MRXNPFEDSA-N 1 0 357.433 3.510 20 30 FHEDRO CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376844831 941448980 /nfs/dbraw/zinc/44/89/80/941448980.db2.gz UZTSTHYOVGQTNL-ZIAGYGMSSA-N 1 0 356.495 3.588 20 30 FHEDRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000613618283 941474794 /nfs/dbraw/zinc/47/47/94/941474794.db2.gz DWFQVNJIVGVVBT-HOTGVXAUSA-N 1 0 351.450 3.555 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000376995869 941486264 /nfs/dbraw/zinc/48/62/64/941486264.db2.gz ZOPFFIHMXBRASZ-NRFANRHFSA-N 1 0 356.514 3.528 20 30 FHEDRO C=CCCCCCCNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377044823 941502492 /nfs/dbraw/zinc/50/24/92/941502492.db2.gz QVPALWLLHWOFNN-PMACEKPBSA-N 1 0 358.530 3.852 20 30 FHEDRO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000414903594 941505699 /nfs/dbraw/zinc/50/56/99/941505699.db2.gz KDONRHORRXMHQR-OAQYLSRUSA-N 1 0 367.468 3.781 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415002432 941535676 /nfs/dbraw/zinc/53/56/76/941535676.db2.gz DLRKVHOYVHBUPB-WBVHZDCISA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415001935 941535810 /nfs/dbraw/zinc/53/58/10/941535810.db2.gz CUVWCHFKODREQF-HOCLYGCPSA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000415011532 941540044 /nfs/dbraw/zinc/54/00/44/941540044.db2.gz QQVQJRRVRNUEIG-NRFANRHFSA-N 1 0 362.433 3.568 20 30 FHEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415013468 941540637 /nfs/dbraw/zinc/54/06/37/941540637.db2.gz VCPGUVLBOCLQTK-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[C@@H]1[NH3+] ZINC000415005183 941541486 /nfs/dbraw/zinc/54/14/86/941541486.db2.gz ITILUBPRNGLXSO-KDOFPFPSSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H](C[NH3+])C1 ZINC000415003678 941541574 /nfs/dbraw/zinc/54/15/74/941541574.db2.gz GJEJBEVTWOSWKS-YJBOKZPZSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000415015049 941542323 /nfs/dbraw/zinc/54/23/23/941542323.db2.gz XUJDYEXNVAAMGQ-HNNXBMFYSA-N 1 0 364.449 3.942 20 30 FHEDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415029363 941550395 /nfs/dbraw/zinc/55/03/95/941550395.db2.gz AVMDTMAGZMEXEN-QGZVFWFLSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H](C)C[NH2+]1 ZINC000415033200 941556330 /nfs/dbraw/zinc/55/63/30/941556330.db2.gz GSLKNXAXBQSOCX-HUUCEWRRSA-N 1 0 350.422 3.565 20 30 FHEDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000415038000 941558753 /nfs/dbraw/zinc/55/87/53/941558753.db2.gz LRYCNATXKVLSPD-OAHLLOKOSA-N 1 0 364.449 3.942 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415060260 941571933 /nfs/dbraw/zinc/57/19/33/941571933.db2.gz JYKAODJLDFRUQK-NVXWUHKLSA-N 1 0 364.449 3.860 20 30 FHEDRO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000549170744 941577692 /nfs/dbraw/zinc/57/76/92/941577692.db2.gz DEAIKCOPRBYSCT-UZLBHIALSA-N 1 0 365.477 3.875 20 30 FHEDRO N#CC1(CC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000590237329 941615476 /nfs/dbraw/zinc/61/54/76/941615476.db2.gz GHNKHJLYNNEJCF-UHFFFAOYSA-N 1 0 353.510 3.531 20 30 FHEDRO C[NH2+]CC1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000415150275 941630757 /nfs/dbraw/zinc/63/07/57/941630757.db2.gz PTCFEZHQEYPWEF-UHFFFAOYSA-N 1 0 364.449 3.814 20 30 FHEDRO C[C@](C[NH3+])(NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 ZINC000415146469 941632128 /nfs/dbraw/zinc/63/21/28/941632128.db2.gz GNSYYPMHDIKPQO-HXUWFJFHSA-N 1 0 350.422 3.599 20 30 FHEDRO C[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000415151702 941635049 /nfs/dbraw/zinc/63/50/49/941635049.db2.gz AVXCSZXJSMARII-UHFFFAOYSA-N 1 0 364.449 3.814 20 30 FHEDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415152650 941635523 /nfs/dbraw/zinc/63/55/23/941635523.db2.gz VJDSIJAMBDJSHS-SFHVURJKSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)C[NH2+]1 ZINC000415154508 941636565 /nfs/dbraw/zinc/63/65/65/941636565.db2.gz YBIWQVLXAZVKLS-CABCVRRESA-N 1 0 350.422 3.565 20 30 FHEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415153911 941636798 /nfs/dbraw/zinc/63/67/98/941636798.db2.gz DFQWXEANTUCFDX-GDBMZVCRSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415169536 941645704 /nfs/dbraw/zinc/64/57/04/941645704.db2.gz WDYKYOYPSJTRHF-OAHLLOKOSA-N 1 0 352.438 3.990 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](CC[NH3+])C3)cc2)c1 ZINC000415165406 941647260 /nfs/dbraw/zinc/64/72/60/941647260.db2.gz QJEPPPLOGGQKLH-MRXNPFEDSA-N 1 0 364.449 3.943 20 30 FHEDRO C[C@]1(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCC[NH2+]C1 ZINC000415167049 941648467 /nfs/dbraw/zinc/64/84/67/941648467.db2.gz SBDOUTCFUSMGGV-NRFANRHFSA-N 1 0 364.449 3.862 20 30 FHEDRO CC1(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[NH2+]CC1 ZINC000415170658 941652386 /nfs/dbraw/zinc/65/23/86/941652386.db2.gz WRUFMLUATJDRSV-UHFFFAOYSA-N 1 0 364.449 3.862 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000472747868 941667861 /nfs/dbraw/zinc/66/78/61/941667861.db2.gz IBBRFHFRHXGFTC-CJNGLKHVSA-N 1 0 371.262 3.755 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[C@@H]1[NH3+] ZINC000415236423 941691432 /nfs/dbraw/zinc/69/14/32/941691432.db2.gz FTSNTGSCKSCNAQ-GUYCJALGSA-N 1 0 368.412 3.691 20 30 FHEDRO COC(=O)C[C@@](C)([NH2+]CCC(C)(C)C#N)c1ccc(Br)cc1 ZINC000513161719 941695476 /nfs/dbraw/zinc/69/54/76/941695476.db2.gz UYUOZYCAIHJZLP-QGZVFWFLSA-N 1 0 367.287 3.757 20 30 FHEDRO C[C@H](CCC[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415244615 941698010 /nfs/dbraw/zinc/69/80/10/941698010.db2.gz YDIXXKXQISWEGB-CYBMUJFWSA-N 1 0 356.401 3.739 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC1 ZINC000729418961 941748691 /nfs/dbraw/zinc/74/86/91/941748691.db2.gz GLTSUFKZFWNOCX-UHFFFAOYSA-N 1 0 367.320 3.732 20 30 FHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549252088 941754569 /nfs/dbraw/zinc/75/45/69/941754569.db2.gz KAZAYRJLEHMFQT-UHFFFAOYSA-N 1 0 364.497 3.533 20 30 FHEDRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1OC ZINC000151147284 941760608 /nfs/dbraw/zinc/76/06/08/941760608.db2.gz MEFDWLFHVBUPFY-CQSZACIVSA-N 1 0 358.413 3.582 20 30 FHEDRO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(C#N)cc1F ZINC000151154116 941764107 /nfs/dbraw/zinc/76/41/07/941764107.db2.gz FFMCIIGKPCURAL-CQSZACIVSA-N 1 0 373.859 3.878 20 30 FHEDRO C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H](C)[N@H+]1C ZINC000513201395 941778022 /nfs/dbraw/zinc/77/80/22/941778022.db2.gz ZBRHBKVTYTYEGT-IYBDPMFKSA-N 1 0 365.502 3.874 20 30 FHEDRO COCC[NH+]1CCC(Nc2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000549259839 941780898 /nfs/dbraw/zinc/78/08/98/941780898.db2.gz OECDTHIEZULGMA-UHFFFAOYSA-N 1 0 358.873 3.591 20 30 FHEDRO C=CCc1cc(C[N@@H+]2C[C@H](C(=O)NCCCC)CC[C@H]2C)cc(OC)c1O ZINC000511524606 941794149 /nfs/dbraw/zinc/79/41/49/941794149.db2.gz SCUNXLVUNZSFPX-VQIMIIECSA-N 1 0 374.525 3.646 20 30 FHEDRO CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000458839387 941797354 /nfs/dbraw/zinc/79/73/54/941797354.db2.gz MRGVHZOPJPZYTF-XNMUZJSGSA-N 1 0 354.498 3.688 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000377569464 941816217 /nfs/dbraw/zinc/81/62/17/941816217.db2.gz WANUYKKJJQUOCS-HXUWFJFHSA-N 1 0 356.514 3.749 20 30 FHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000892973616 941827751 /nfs/dbraw/zinc/82/77/51/941827751.db2.gz SYFBTERTIMXQJG-FGTMMUONSA-N 1 0 373.497 3.760 20 30 FHEDRO COc1cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614683 941844540 /nfs/dbraw/zinc/84/45/40/941844540.db2.gz JPLVINXYZSBIBK-ZWKOTPCHSA-N 1 0 352.434 3.681 20 30 FHEDRO CCN(Cc1cnc2ccc(C#N)cn12)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000119021511 941863498 /nfs/dbraw/zinc/86/34/98/941863498.db2.gz CHPKZLMBPGGRAP-RXVVDRJESA-N 1 0 373.504 3.863 20 30 FHEDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000893016283 941885682 /nfs/dbraw/zinc/88/56/82/941885682.db2.gz WHBXOWRSRSASRU-QAPCUYQASA-N 1 0 366.465 3.548 20 30 FHEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCOC(C)(C)C1 ZINC000377670376 941889237 /nfs/dbraw/zinc/88/92/37/941889237.db2.gz GXAPURSBVYJWPP-IBGZPJMESA-N 1 0 352.482 3.738 20 30 FHEDRO N#Cc1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1Oc1ccccc1 ZINC000415536951 941889245 /nfs/dbraw/zinc/88/92/45/941889245.db2.gz ODZPKSHWBFKZDK-JKSUJKDBSA-N 1 0 350.422 3.742 20 30 FHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000513398495 941895118 /nfs/dbraw/zinc/89/51/18/941895118.db2.gz TZJRZPJPNBXYPO-GOSISDBHSA-N 1 0 352.434 3.619 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@]2(CO)CCc3ccccc32)ccc1OC ZINC000135884098 941906556 /nfs/dbraw/zinc/90/65/56/941906556.db2.gz VDHWPTCGTUGJJK-JOCHJYFZSA-N 1 0 353.462 3.574 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc2n[nH]cc2c1 ZINC000513416906 941913481 /nfs/dbraw/zinc/91/34/81/941913481.db2.gz RLHSFXNKMDTGIG-WZHMAMEKSA-N 1 0 367.497 3.533 20 30 FHEDRO CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](CCCSCC#N)CC2)C1 ZINC000377715842 941928136 /nfs/dbraw/zinc/92/81/36/941928136.db2.gz ALWYHIKMUGPMLV-QGZVFWFLSA-N 1 0 367.559 3.602 20 30 FHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@H](C)C3)sc2C1 ZINC000328672509 941961515 /nfs/dbraw/zinc/96/15/15/941961515.db2.gz IFQPGKYSDUMVJE-ZIAGYGMSSA-N 1 0 361.511 3.691 20 30 FHEDRO C=C(C)[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(F)c(F)c1 ZINC000433910398 941980183 /nfs/dbraw/zinc/98/01/83/941980183.db2.gz FLBINSRRSNCRJE-APWZRJJASA-N 1 0 363.452 3.898 20 30 FHEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728712198 941986118 /nfs/dbraw/zinc/98/61/18/941986118.db2.gz YLYJKPOEBSFQIH-CVEARBPZSA-N 1 0 352.434 3.817 20 30 FHEDRO C[C@H]1COCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000328700499 941995389 /nfs/dbraw/zinc/99/53/89/941995389.db2.gz WESZLRHIZQBWQC-CQSZACIVSA-N 1 0 361.511 3.835 20 30 FHEDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415801330 942059089 /nfs/dbraw/zinc/05/90/89/942059089.db2.gz GIGJVUCMNUZXAX-QGZVFWFLSA-N 1 0 354.479 3.814 20 30 FHEDRO C=CCOc1ccc(Br)cc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000415802497 942059959 /nfs/dbraw/zinc/05/99/59/942059959.db2.gz ICLKAYGYBMANEC-UHFFFAOYSA-N 1 0 370.291 3.653 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000415813053 942064490 /nfs/dbraw/zinc/06/44/90/942064490.db2.gz ZMIADMHFGATPJI-UHFFFAOYSA-N 1 0 366.490 3.973 20 30 FHEDRO C[C@@H](C#N)CN(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000513681643 942073356 /nfs/dbraw/zinc/07/33/56/942073356.db2.gz GQUZCYBKHUJOBI-KRWDZBQOSA-N 1 0 370.497 3.707 20 30 FHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460771277 942077990 /nfs/dbraw/zinc/07/79/90/942077990.db2.gz OGWODIWFCALCQJ-AEFFLSMTSA-N 1 0 371.554 3.570 20 30 FHEDRO CC(C)(C#N)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000280136473 942112694 /nfs/dbraw/zinc/11/26/94/942112694.db2.gz DTICQUXMCJUYMB-SFHVURJKSA-N 1 0 351.450 3.648 20 30 FHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C)c1C#N ZINC000501897889 942112971 /nfs/dbraw/zinc/11/29/71/942112971.db2.gz FYTDVMZITDOJRQ-LIRRHRJNSA-N 1 0 350.466 3.683 20 30 FHEDRO C[NH+](C)Cc1cc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1F ZINC000280125077 942115434 /nfs/dbraw/zinc/11/54/34/942115434.db2.gz MCZKPCLHYUVODI-UHFFFAOYSA-N 1 0 353.441 3.618 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415901836 942120956 /nfs/dbraw/zinc/12/09/56/942120956.db2.gz NNQHIVVVSGDCBV-UHFFFAOYSA-N 1 0 355.486 3.794 20 30 FHEDRO C[S@@](=O)C1(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CCC1 ZINC000280582353 942206858 /nfs/dbraw/zinc/20/68/58/942206858.db2.gz MXTUSRCBAJFNMI-RUZDIDTESA-N 1 0 357.479 3.507 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(=C)C)c2ccc(F)c(F)c2)CC1 ZINC000187836922 942233083 /nfs/dbraw/zinc/23/30/83/942233083.db2.gz OKNXVUORXKSGQG-IBGZPJMESA-N 1 0 363.452 3.922 20 30 FHEDRO C[C@@H](CCNC(=O)C1(c2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000187895944 942243302 /nfs/dbraw/zinc/24/33/02/942243302.db2.gz NTTQTTDYIIXMDU-SFHVURJKSA-N 1 0 361.489 3.617 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnc(C4CC4)s3)CC2)cc1 ZINC000122839058 942251969 /nfs/dbraw/zinc/25/19/69/942251969.db2.gz SRNNYEZFHHMVMG-UHFFFAOYSA-N 1 0 352.507 3.600 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000419412714 942258710 /nfs/dbraw/zinc/25/87/10/942258710.db2.gz JKNVJCVUMRJJGM-LEWJYISDSA-N 1 0 362.477 3.538 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000481007520 942275595 /nfs/dbraw/zinc/27/55/95/942275595.db2.gz NWKSOMUMCJBNDE-HNNXBMFYSA-N 1 0 351.450 3.622 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)ccc1OC ZINC000414488133 942298035 /nfs/dbraw/zinc/29/80/35/942298035.db2.gz QLQWFNDIRWFVIZ-UXHICEINSA-N 1 0 353.462 3.958 20 30 FHEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000421056112 942310831 /nfs/dbraw/zinc/31/08/31/942310831.db2.gz HORUMTQGQBOIHY-GOSISDBHSA-N 1 0 364.449 3.908 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000106329502 942313250 /nfs/dbraw/zinc/31/32/50/942313250.db2.gz TZYOPTFPGQFQEA-HXUWFJFHSA-N 1 0 353.466 3.709 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)CC(C)C ZINC000180025034 942315512 /nfs/dbraw/zinc/31/55/12/942315512.db2.gz DOEXALCVVYETCY-IRXDYDNUSA-N 1 0 360.502 3.855 20 30 FHEDRO C[NH+](C)CC[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000502303733 942344114 /nfs/dbraw/zinc/34/41/14/942344114.db2.gz MYRMJDKMEWFBDC-FQEVSTJZSA-N 1 0 368.525 3.723 20 30 FHEDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000501218688 942349462 /nfs/dbraw/zinc/34/94/62/942349462.db2.gz QKNHXGDQPNTTAN-UHFFFAOYSA-N 1 0 352.434 3.522 20 30 FHEDRO [NH3+]CCc1ccn(-c2ccc(C#Cc3ccc(Br)cc3)cc2)n1 ZINC001167730720 942368371 /nfs/dbraw/zinc/36/83/71/942368371.db2.gz POHXKYLXZOMRGU-UHFFFAOYSA-N 1 0 366.262 3.536 20 30 FHEDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197739 942378001 /nfs/dbraw/zinc/37/80/01/942378001.db2.gz CWHIMIQWQDTGFA-UVFQYZLESA-N 1 0 371.916 3.679 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416148199 942398780 /nfs/dbraw/zinc/39/87/80/942398780.db2.gz ZFDOZZPRTCVTRN-UHFFFAOYSA-N 1 0 359.473 3.521 20 30 FHEDRO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000424852867 942405288 /nfs/dbraw/zinc/40/52/88/942405288.db2.gz UMCHIEUJJTZRFZ-HXUWFJFHSA-N 1 0 370.537 3.634 20 30 FHEDRO [NH3+]CCc1ccn(-c2ccc(N=C(c3ccccc3)c3ccccc3)nc2)n1 ZINC001167731895 942418419 /nfs/dbraw/zinc/41/84/19/942418419.db2.gz BRBNTRBEZFQUDM-UHFFFAOYSA-N 1 0 367.456 3.938 20 30 FHEDRO C=C(CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000501404710 942463210 /nfs/dbraw/zinc/46/32/10/942463210.db2.gz ZLXCACCURVTVFZ-DENIHFKCSA-N 1 0 363.505 3.910 20 30 FHEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(=O)N1CCc2sccc2C1 ZINC000421323638 942482114 /nfs/dbraw/zinc/48/21/14/942482114.db2.gz ITJLYJPPWYMBLQ-GOSISDBHSA-N 1 0 371.481 3.602 20 30 FHEDRO N#Cc1ccc(OCC[NH2+]Cc2c(F)ccc(Br)c2F)cc1 ZINC000501448178 942482332 /nfs/dbraw/zinc/48/23/32/942482332.db2.gz KVSLFWAUXANEIF-UHFFFAOYSA-N 1 0 367.193 3.768 20 30 FHEDRO COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccc(C#N)s3)c2C)cc1 ZINC000421347302 942500373 /nfs/dbraw/zinc/50/03/73/942500373.db2.gz BYNVTWUYCUGYIP-UHFFFAOYSA-N 1 0 366.490 3.780 20 30 FHEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421348110 942501211 /nfs/dbraw/zinc/50/12/11/942501211.db2.gz FAMXTXZPMIDZRZ-NSHDSACASA-N 1 0 363.870 3.789 20 30 FHEDRO CC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](CC)O1 ZINC000421382800 942535955 /nfs/dbraw/zinc/53/59/55/942535955.db2.gz CHQODFGDITZEOW-BGYRXZFFSA-N 1 0 352.482 3.853 20 30 FHEDRO C=CCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000430040173 942567590 /nfs/dbraw/zinc/56/75/90/942567590.db2.gz ORJISQDVRATSJY-NVXWUHKLSA-N 1 0 369.431 3.916 20 30 FHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)c2nc(C)ccc12 ZINC000513890605 942581777 /nfs/dbraw/zinc/58/17/77/942581777.db2.gz QGHYSBYWVMCYDR-UHFFFAOYSA-N 1 0 361.445 3.769 20 30 FHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513971849 942635923 /nfs/dbraw/zinc/63/59/23/942635923.db2.gz RHKHDIADSQOPOD-OAQYLSRUSA-N 1 0 361.489 3.933 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC(C)(C)C#N ZINC000501733921 942640601 /nfs/dbraw/zinc/64/06/01/942640601.db2.gz HYMZVCCCRBTCCU-UHFFFAOYSA-N 1 0 355.404 3.535 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC(C)(C)C#N ZINC000501752936 942653707 /nfs/dbraw/zinc/65/37/07/942653707.db2.gz OFVLLZQSAUKASB-UHFFFAOYSA-N 1 0 355.404 3.535 20 30 FHEDRO Cc1c(C#N)c(C#N)ccc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000421556322 942658891 /nfs/dbraw/zinc/65/88/91/942658891.db2.gz JQVJOLMVJZXMGI-UHFFFAOYSA-N 1 0 372.472 3.979 20 30 FHEDRO CCC1(CNC(=O)N2CCC(C#N)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000514014511 942671000 /nfs/dbraw/zinc/67/10/00/942671000.db2.gz ZWIVUPNIEQWWHO-UHFFFAOYSA-N 1 0 368.525 3.624 20 30 FHEDRO C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H](C)Cc1ccc(C)s1 ZINC000261845731 942676608 /nfs/dbraw/zinc/67/66/08/942676608.db2.gz XGAVGECRKDIMPQ-ZDUSSCGKSA-N 1 0 355.511 3.537 20 30 FHEDRO C=CCOc1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000501824839 942693212 /nfs/dbraw/zinc/69/32/12/942693212.db2.gz IEZRRPDLLOJKLS-IEBWSBKVSA-N 1 0 371.525 3.704 20 30 FHEDRO COc1cc(C[NH+]2CCC3(C[C@@H]3c3nnc(C(C)C)o3)CC2)ccc1C#N ZINC000367029637 942718154 /nfs/dbraw/zinc/71/81/54/942718154.db2.gz KNGIACISKMPMJK-QGZVFWFLSA-N 1 0 366.465 3.843 20 30 FHEDRO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccc(Br)cc1)C(C)C ZINC000514105737 942748746 /nfs/dbraw/zinc/74/87/46/942748746.db2.gz SXGYDSYQSCOPAO-UHFFFAOYSA-N 1 0 365.315 3.860 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)c2ccccc2n1 ZINC000378454407 942781884 /nfs/dbraw/zinc/78/18/84/942781884.db2.gz PLPMUPNJICWDDU-MMTROXRISA-N 1 0 351.450 3.573 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)O1 ZINC000378451135 942783720 /nfs/dbraw/zinc/78/37/20/942783720.db2.gz DDZDQAUNCCSHLF-ZKXLYKBJSA-N 1 0 369.292 3.856 20 30 FHEDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000378456375 942789499 /nfs/dbraw/zinc/78/94/99/942789499.db2.gz SXNHAHAPBVNXPS-OOSNJVJTSA-N 1 0 352.482 3.564 20 30 FHEDRO CCOC(=O)CC1([NH2+]Cc2ccc(C#N)cc2OC(F)F)CCCC1 ZINC000434611912 942796508 /nfs/dbraw/zinc/79/65/08/942796508.db2.gz MCWAWZCRQBISHG-UHFFFAOYSA-N 1 0 352.381 3.515 20 30 FHEDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000434613650 942799816 /nfs/dbraw/zinc/79/98/16/942799816.db2.gz DUODNGPDMJFUTR-NRFANRHFSA-N 1 0 353.441 3.643 20 30 FHEDRO COc1ccc(C[NH2+]CC(C)(C)c2cccnc2)cc1OCCCC#N ZINC000414552227 942806011 /nfs/dbraw/zinc/80/60/11/942806011.db2.gz CPWPBMNLBFNTDV-UHFFFAOYSA-N 1 0 353.466 3.840 20 30 FHEDRO CC(C)C[C@H](C)OCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378481063 942809865 /nfs/dbraw/zinc/80/98/65/942809865.db2.gz ICXALADQDDGNPM-IBGZPJMESA-N 1 0 371.525 3.502 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425131582 942855848 /nfs/dbraw/zinc/85/58/48/942855848.db2.gz PZWXUXWIRGIPKE-PGRDOPGGSA-N 1 0 361.489 3.990 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425131581 942855950 /nfs/dbraw/zinc/85/59/50/942855950.db2.gz PZWXUXWIRGIPKE-GCJKJVERSA-N 1 0 361.489 3.990 20 30 FHEDRO N#CCOc1ccc(/C=C/C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)cc1 ZINC000378532460 942867731 /nfs/dbraw/zinc/86/77/31/942867731.db2.gz XWXREFRVJRZFKT-IZZDOVSWSA-N 1 0 359.429 3.719 20 30 FHEDRO CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000312200651 942903332 /nfs/dbraw/zinc/90/33/32/942903332.db2.gz FCUGUPTUTCYXHU-MOPGFXCFSA-N 1 0 373.497 3.905 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc(F)c(F)c1 ZINC000894265725 942948509 /nfs/dbraw/zinc/94/85/09/942948509.db2.gz WSPRJNCKLHNLBM-LJQANCHMSA-N 1 0 363.452 3.898 20 30 FHEDRO CCOc1ccccc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000236946580 942950332 /nfs/dbraw/zinc/95/03/32/942950332.db2.gz WZSHJCPQGBZKER-SFHVURJKSA-N 1 0 353.441 3.855 20 30 FHEDRO C=CCOc1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000549446580 942956840 /nfs/dbraw/zinc/95/68/40/942956840.db2.gz OGRURZFFGNSLCL-UHFFFAOYSA-N 1 0 360.461 3.997 20 30 FHEDRO Fc1ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc1C(F)(F)F ZINC000434796532 942959762 /nfs/dbraw/zinc/95/97/62/942959762.db2.gz UVLPHXFCYHXMAI-UHFFFAOYSA-N 1 0 351.237 3.851 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Cc1c(F)cccc1C#N)c1ccsc1 ZINC000505534850 942986395 /nfs/dbraw/zinc/98/63/95/942986395.db2.gz ZFWFNJAGGGLIRX-GOSISDBHSA-N 1 0 359.470 3.501 20 30 FHEDRO C[C@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)[NH+]1CCCCCC1 ZINC000505541095 942990174 /nfs/dbraw/zinc/99/01/74/942990174.db2.gz VGNMLLQGXZQBAO-IUODEOHRSA-N 1 0 354.281 3.939 20 30 FHEDRO C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000282020110 943026238 /nfs/dbraw/zinc/02/62/38/943026238.db2.gz PDIRGNBBCGIRFW-FQEVSTJZSA-N 1 0 355.526 3.683 20 30 FHEDRO CCN(C(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000271707334 943038413 /nfs/dbraw/zinc/03/84/13/943038413.db2.gz VCFSXIWIIKXGHV-CQSZACIVSA-N 1 0 364.474 3.872 20 30 FHEDRO COc1ccc(COCCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271860944 943061966 /nfs/dbraw/zinc/06/19/66/943061966.db2.gz KFZSHWBIPJRLLE-QGZVFWFLSA-N 1 0 354.450 3.855 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(CNc3c(C#N)cccc3[N+](=O)[O-])cc2)CC1 ZINC000425251493 943062395 /nfs/dbraw/zinc/06/23/95/943062395.db2.gz HSYHPPJIHZNUBW-UHFFFAOYSA-N 1 0 366.421 3.552 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccc(OCC#N)cc1 ZINC000271901627 943067886 /nfs/dbraw/zinc/06/78/86/943067886.db2.gz VQVFXTUTVIUGBK-KRWDZBQOSA-N 1 0 350.466 3.825 20 30 FHEDRO C[C@H](C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1)c1nccs1 ZINC000434986749 943087812 /nfs/dbraw/zinc/08/78/12/943087812.db2.gz QBYZPVDBCJQCLE-OAHLLOKOSA-N 1 0 366.494 3.551 20 30 FHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(c4cccc(C#N)c4)CC3)C2)CC1 ZINC000435028035 943111057 /nfs/dbraw/zinc/11/10/57/943111057.db2.gz HIPBHACTVJDROZ-HXUWFJFHSA-N 1 0 365.521 3.560 20 30 FHEDRO C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272193853 943111345 /nfs/dbraw/zinc/11/13/45/943111345.db2.gz BZJUXPOGBRIIBJ-GHTZIAJQSA-N 1 0 373.500 3.882 20 30 FHEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000185232105 943129430 /nfs/dbraw/zinc/12/94/30/943129430.db2.gz YUGMNPZVTFGYKU-SFHVURJKSA-N 1 0 357.498 3.881 20 30 FHEDRO CC1(C#N)CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000272402643 943150109 /nfs/dbraw/zinc/15/01/09/943150109.db2.gz BCHCXBPUTSSIIU-UHFFFAOYSA-N 1 0 368.525 3.898 20 30 FHEDRO CC1(C#N)CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000272506954 943168019 /nfs/dbraw/zinc/16/80/19/943168019.db2.gz HGHLHWLYYJORSC-IHWFROFDSA-N 1 0 366.509 3.517 20 30 FHEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000503411483 943169254 /nfs/dbraw/zinc/16/92/54/943169254.db2.gz GCDLCRLMQOANKD-LJQANCHMSA-N 1 0 364.493 3.740 20 30 FHEDRO CC1(C#N)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000272574193 943180136 /nfs/dbraw/zinc/18/01/36/943180136.db2.gz NLAHLDRMDCSMEF-UHFFFAOYSA-N 1 0 370.522 3.843 20 30 FHEDRO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435126770 943181432 /nfs/dbraw/zinc/18/14/32/943181432.db2.gz QSZHHCCQCMWTAM-KRWDZBQOSA-N 1 0 357.461 3.806 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514743508 943254427 /nfs/dbraw/zinc/25/44/27/943254427.db2.gz VUXLHJUYKYVSQR-IBGZPJMESA-N 1 0 365.525 3.690 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000273075577 943269765 /nfs/dbraw/zinc/26/97/65/943269765.db2.gz PJNZGBBSBLCURC-UAOJZALGSA-N 1 0 373.522 3.567 20 30 FHEDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000435274070 943295752 /nfs/dbraw/zinc/29/57/52/943295752.db2.gz FXIKRBBWYMVJCJ-FXAWDEMLSA-N 1 0 364.445 3.569 20 30 FHEDRO CCc1cccc(NC(=[NH2+])NCC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000186879927 943385407 /nfs/dbraw/zinc/38/54/07/943385407.db2.gz NRAFUEUIXVXUHE-UHFFFAOYSA-N 1 0 358.486 3.543 20 30 FHEDRO CC(C)c1ccc([C@@H](N)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000423253218 943460097 /nfs/dbraw/zinc/46/00/97/943460097.db2.gz YRLKDOFHSDZUCG-QHCPKHFHSA-N 1 0 362.521 3.940 20 30 FHEDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1F ZINC000423358571 943489824 /nfs/dbraw/zinc/48/98/24/943489824.db2.gz BTFJTWOJDXTCTA-KRYHZZBUSA-N 1 0 359.395 3.772 20 30 FHEDRO N#Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C(N)=O)cc1 ZINC000435668513 943549601 /nfs/dbraw/zinc/54/96/01/943549601.db2.gz ZPQQLCYBNBSFGH-UAGQMJEPSA-N 1 0 360.244 3.537 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000425404598 943568685 /nfs/dbraw/zinc/56/86/85/943568685.db2.gz WVCBUDINHIFZPI-QGZVFWFLSA-N 1 0 356.514 3.915 20 30 FHEDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417395728 943570666 /nfs/dbraw/zinc/57/06/66/943570666.db2.gz WOMBQCBNXBZSSH-KXBFYZLASA-N 1 0 363.461 3.951 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000435728658 943572402 /nfs/dbraw/zinc/57/24/02/943572402.db2.gz OTHPJRVLCJBSOG-RDTXWAMCSA-N 1 0 358.463 3.610 20 30 FHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417397258 943572612 /nfs/dbraw/zinc/57/26/12/943572612.db2.gz XXNUUEGIQSAXOS-BTYIYWSLSA-N 1 0 363.461 3.951 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000435752430 943586108 /nfs/dbraw/zinc/58/61/08/943586108.db2.gz XXUXQBMNJQRSME-PXAZEXFGSA-N 1 0 370.287 3.537 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000435738397 943590577 /nfs/dbraw/zinc/59/05/77/943590577.db2.gz AFQUVFMVLCYLFM-DENIHFKCSA-N 1 0 368.477 3.740 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000435746262 943595610 /nfs/dbraw/zinc/59/56/10/943595610.db2.gz VRNGZLFXJFIZDH-CVAIRZPRSA-N 1 0 365.901 3.969 20 30 FHEDRO C=CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccccc1 ZINC000435763056 943596832 /nfs/dbraw/zinc/59/68/32/943596832.db2.gz KOUHHYDAMHTHCJ-NRFANRHFSA-N 1 0 366.509 3.862 20 30 FHEDRO N#CCCC[C@@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000515279393 943608338 /nfs/dbraw/zinc/60/83/38/943608338.db2.gz CQDJYXMUJRTLSP-QXIGDHTLSA-N 1 0 365.521 3.952 20 30 FHEDRO Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000364142610 943676494 /nfs/dbraw/zinc/67/64/94/943676494.db2.gz FXCQMRNAOYAQSN-HNNXBMFYSA-N 1 0 364.424 3.901 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000424084364 943720968 /nfs/dbraw/zinc/72/09/68/943720968.db2.gz YDZRIYYHSYJTHH-INIZCTEOSA-N 1 0 364.474 3.847 20 30 FHEDRO CC(C)(C)c1cc(NC(=O)[C@H]([NH3+])CCCC#N)n(-c2cccc(Cl)c2)n1 ZINC000424092958 943728501 /nfs/dbraw/zinc/72/85/01/943728501.db2.gz IIIQGJJSNMXUPN-OAHLLOKOSA-N 1 0 373.888 3.783 20 30 FHEDRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@H]([NH3+])CCCC#N)s1 ZINC000424093010 943728567 /nfs/dbraw/zinc/72/85/67/943728567.db2.gz QGFQEYUTGGGSNN-OAHLLOKOSA-N 1 0 362.886 3.655 20 30 FHEDRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H]([NH3+])CCCC#N)c(C)c1 ZINC000424127091 943746311 /nfs/dbraw/zinc/74/63/11/943746311.db2.gz AGFDXNQVLDMOTI-MRXNPFEDSA-N 1 0 367.497 3.746 20 30 FHEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424149918 943753043 /nfs/dbraw/zinc/75/30/43/943753043.db2.gz XVMMNMQGXZPHIN-HOCLYGCPSA-N 1 0 356.495 3.659 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000424162220 943768396 /nfs/dbraw/zinc/76/83/96/943768396.db2.gz YFJCNCVHHJDYEI-KRWDZBQOSA-N 1 0 368.308 3.796 20 30 FHEDRO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCCC[C@H]1C ZINC000435784540 943769545 /nfs/dbraw/zinc/76/95/45/943769545.db2.gz FRQUSGHZXPRUPP-QZTJIDSGSA-N 1 0 366.509 3.938 20 30 FHEDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000424189914 943778472 /nfs/dbraw/zinc/77/84/72/943778472.db2.gz OOKXDYXRKCFBTP-UHFFFAOYSA-N 1 0 371.525 3.875 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2cn(CCCC#N)c3ccccc23)CCCC1 ZINC000435812055 943786217 /nfs/dbraw/zinc/78/62/17/943786217.db2.gz VPQUDFCEJOBVPB-UHFFFAOYSA-N 1 0 352.482 3.549 20 30 FHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000424248382 943804016 /nfs/dbraw/zinc/80/40/16/943804016.db2.gz OCZGIQYTGNZFMC-QGZVFWFLSA-N 1 0 365.591 3.977 20 30 FHEDRO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000424259342 943809889 /nfs/dbraw/zinc/80/98/89/943809889.db2.gz XQNVDPLPMFERMT-IAGOWNOFSA-N 1 0 363.575 3.590 20 30 FHEDRO C[C@H]1CCc2c(sc3nc(CC[NH+]4CCC(C)(C#N)CC4)nc(N)c23)C1 ZINC000506052572 943818551 /nfs/dbraw/zinc/81/85/51/943818551.db2.gz VPQZOSYVBDOMPK-ZDUSSCGKSA-N 1 0 369.538 3.566 20 30 FHEDRO C=CCOc1ccc(C[N@@H+](Cc2cnc(N(C)C)nc2)C(C)(C)C)cc1 ZINC000506052194 943819129 /nfs/dbraw/zinc/81/91/29/943819129.db2.gz WBADHWDPMDVJPK-UHFFFAOYSA-N 1 0 354.498 3.908 20 30 FHEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000424290960 943822489 /nfs/dbraw/zinc/82/24/89/943822489.db2.gz CWRBVIFBRBEIFJ-DLBZAZTESA-N 1 0 350.388 3.909 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000516914555 943823797 /nfs/dbraw/zinc/82/37/97/943823797.db2.gz LGTLCNGMUCQQDT-HNNXBMFYSA-N 1 0 350.422 3.553 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000424300643 943826974 /nfs/dbraw/zinc/82/69/74/943826974.db2.gz YFBONCVZUWMESJ-RCBQFDQVSA-N 1 0 352.272 3.844 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000366671068 943858399 /nfs/dbraw/zinc/85/83/99/943858399.db2.gz UMWGRZMCMWOWHN-QFBILLFUSA-N 1 0 362.901 3.515 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C#N)cc2OC)C1 ZINC000546005190 943873605 /nfs/dbraw/zinc/87/36/05/943873605.db2.gz FRBWUQXRBJCONF-HNNXBMFYSA-N 1 0 358.486 3.589 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000437572489 943928139 /nfs/dbraw/zinc/92/81/39/943928139.db2.gz VZHNNQTYGWCMKW-QFIPXVFZSA-N 1 0 358.526 3.764 20 30 FHEDRO C[C@H]1C[C@@H](CCNc2nccc(C#N)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511641558 943929540 /nfs/dbraw/zinc/92/95/40/943929540.db2.gz CFGNPFFXAJOARR-DOTOQJQBSA-N 1 0 365.437 3.574 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(CNc2ccc(C#N)cc2)cc1OC ZINC000515501620 943930964 /nfs/dbraw/zinc/93/09/64/943930964.db2.gz JBTLPGRHAZODOV-UHFFFAOYSA-N 1 0 353.466 3.900 20 30 FHEDRO C[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000458850489 943938743 /nfs/dbraw/zinc/93/87/43/943938743.db2.gz UPVCGIZDEHOBPW-WIYYLYMNSA-N 1 0 368.525 3.937 20 30 FHEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](CC)c2ccc(Br)cc2)C1=O ZINC000500017300 943955854 /nfs/dbraw/zinc/95/58/54/943955854.db2.gz UHWGZJLORHMRLQ-CVEARBPZSA-N 1 0 351.288 3.619 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2ccc3c(c2)OCCO3)CC1 ZINC000500024880 943964193 /nfs/dbraw/zinc/96/41/93/943964193.db2.gz KXFGJOAMHOPVBQ-UHFFFAOYSA-N 1 0 362.473 3.994 20 30 FHEDRO C=CCC1(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCOCC1 ZINC000424579802 943995111 /nfs/dbraw/zinc/99/51/11/943995111.db2.gz BWTROYWBAOSDGT-LJQANCHMSA-N 1 0 370.537 3.908 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000500041768 943997217 /nfs/dbraw/zinc/99/72/17/943997217.db2.gz XPQGENNNHFEYHG-IRXDYDNUSA-N 1 0 362.477 3.993 20 30 FHEDRO CN(Cc1ccc([S@@](C)=O)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437651066 944000248 /nfs/dbraw/zinc/00/02/48/944000248.db2.gz NZIMUNCBLYIWHP-RUZDIDTESA-N 1 0 364.417 3.529 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000566552211 944033935 /nfs/dbraw/zinc/03/39/35/944033935.db2.gz IALAHENRUAMQNF-INIZCTEOSA-N 1 0 353.491 3.639 20 30 FHEDRO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417987309 944043106 /nfs/dbraw/zinc/04/31/06/944043106.db2.gz HLKBEXJUYRJFMH-HZPDHXFCSA-N 1 0 350.466 3.583 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417999683 944048585 /nfs/dbraw/zinc/04/85/85/944048585.db2.gz VCPQQQQDZAXFSR-QYWGDWMGSA-N 1 0 362.477 3.665 20 30 FHEDRO C[C@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001314 944049211 /nfs/dbraw/zinc/04/92/11/944049211.db2.gz WWWOTBOVLFLYDS-ZACQAIPSSA-N 1 0 362.477 3.678 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000437709046 944050230 /nfs/dbraw/zinc/05/02/30/944050230.db2.gz KBYZZUTYOQGLLA-DOTOQJQBSA-N 1 0 368.308 3.799 20 30 FHEDRO C[C@H](NC(=O)N(C)CC(C)(C)C[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417994682 944052795 /nfs/dbraw/zinc/05/27/95/944052795.db2.gz PEAVVTBGBKLZJG-INIZCTEOSA-N 1 0 364.493 3.913 20 30 FHEDRO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000424678147 944058276 /nfs/dbraw/zinc/05/82/76/944058276.db2.gz BHQLGZVYAGFTLN-WMZOPIPTSA-N 1 0 362.539 3.620 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000431969984 944060097 /nfs/dbraw/zinc/06/00/97/944060097.db2.gz GTDFZERHLDHNRQ-UYAOXDASSA-N 1 0 354.498 3.738 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000436159885 944064683 /nfs/dbraw/zinc/06/46/83/944064683.db2.gz GXRBFWRDYKSJPY-UHFFFAOYSA-N 1 0 353.422 3.577 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000418023516 944069851 /nfs/dbraw/zinc/06/98/51/944069851.db2.gz CCDPXPIUJBJLIC-APWZRJJASA-N 1 0 363.452 3.613 20 30 FHEDRO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000424703053 944075890 /nfs/dbraw/zinc/07/58/90/944075890.db2.gz GMDFQANCFKDNKH-AZUAARDMSA-N 1 0 356.510 3.529 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[NH2+]1 ZINC000414912948 944088492 /nfs/dbraw/zinc/08/84/92/944088492.db2.gz VJDHZQDDZFLEGF-KDOFPFPSSA-N 1 0 368.868 3.821 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[NH2+]1 ZINC000414912953 944088773 /nfs/dbraw/zinc/08/87/73/944088773.db2.gz VJDHZQDDZFLEGF-RDTXWAMCSA-N 1 0 368.868 3.821 20 30 FHEDRO N#Cc1ccc(SCC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000436230218 944119979 /nfs/dbraw/zinc/11/99/79/944119979.db2.gz APXGBPMOEYRUFH-GOSISDBHSA-N 1 0 357.523 3.564 20 30 FHEDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414914885 944153790 /nfs/dbraw/zinc/15/37/90/944153790.db2.gz YBLXTPBISYAILM-KDOFPFPSSA-N 1 0 370.884 3.972 20 30 FHEDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414915272 944155107 /nfs/dbraw/zinc/15/51/07/944155107.db2.gz YUQQNBUKBRULSW-SUMWQHHRSA-N 1 0 356.857 3.806 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000436294104 944180346 /nfs/dbraw/zinc/18/03/46/944180346.db2.gz PMAQHKURYRBZIK-LPMFXHHGSA-N 1 0 366.889 3.637 20 30 FHEDRO N#CC1CCC(C[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000418128726 944182569 /nfs/dbraw/zinc/18/25/69/944182569.db2.gz AVXHBZXWLCTQNN-UHFFFAOYSA-N 1 0 372.225 3.850 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000436299614 944183132 /nfs/dbraw/zinc/18/31/32/944183132.db2.gz KHMSCVWGYYGQHV-NXHRZFHOSA-N 1 0 350.300 3.877 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000436303410 944186874 /nfs/dbraw/zinc/18/68/74/944186874.db2.gz BNDWUWHYWFNOPJ-SYNHAJSKSA-N 1 0 364.917 3.648 20 30 FHEDRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418140243 944199567 /nfs/dbraw/zinc/19/95/67/944199567.db2.gz FNRNISRBUGPETG-QVKFZJNVSA-N 1 0 364.445 3.666 20 30 FHEDRO CCN(C(C)=O)c1nc(CN[C@@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000418140771 944203468 /nfs/dbraw/zinc/20/34/68/944203468.db2.gz FUHDEULHLLHTQU-GOSISDBHSA-N 1 0 354.479 3.555 20 30 FHEDRO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000426256051 944252949 /nfs/dbraw/zinc/25/29/49/944252949.db2.gz MNVVKEVXQMUKCN-QMMLZNLJSA-N 1 0 369.509 3.723 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000425531545 944255278 /nfs/dbraw/zinc/25/52/78/944255278.db2.gz AESNSCRSFLOYPX-FQEVSTJZSA-N 1 0 356.510 3.535 20 30 FHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)sc2c1CCCCC2 ZINC000518331921 944280533 /nfs/dbraw/zinc/28/05/33/944280533.db2.gz WVQQSRGKQCUKLZ-KMFMINBZSA-N 1 0 357.523 3.995 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)CC(=O)N1CCSc2ccccc21 ZINC000425540523 944283232 /nfs/dbraw/zinc/28/32/32/944283232.db2.gz OGMOFEAHXCGLHY-HNNXBMFYSA-N 1 0 351.475 3.690 20 30 FHEDRO Cc1csc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C#N ZINC000515864924 944298113 /nfs/dbraw/zinc/29/81/13/944298113.db2.gz RBMXYPYOCKQRAP-HNNXBMFYSA-N 1 0 358.467 3.870 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505823258 944323360 /nfs/dbraw/zinc/32/33/60/944323360.db2.gz CPESECFMDYZEPQ-TZIWHRDSSA-N 1 0 367.489 3.556 20 30 FHEDRO Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C#N)cc1N(C)C ZINC000436500424 944367061 /nfs/dbraw/zinc/36/70/61/944367061.db2.gz VUAFGBNUDHSKKF-MRXNPFEDSA-N 1 0 371.529 3.566 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000517541097 944371676 /nfs/dbraw/zinc/37/16/76/944371676.db2.gz RIKGVXLGBGEETM-UHFFFAOYSA-N 1 0 350.462 3.646 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000438175003 944387175 /nfs/dbraw/zinc/38/71/75/944387175.db2.gz HXGZLNYQXDBXKN-GOSISDBHSA-N 1 0 366.427 3.745 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nc(C4CC4)cs3)CC2)cc1 ZINC000543139989 944392976 /nfs/dbraw/zinc/39/29/76/944392976.db2.gz YZONFIDTGPIFHK-UHFFFAOYSA-N 1 0 352.507 3.600 20 30 FHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)c(OC)c1 ZINC000015366989 944407244 /nfs/dbraw/zinc/40/72/44/944407244.db2.gz WISITUGXPSELMI-HXUWFJFHSA-N 1 0 352.434 3.791 20 30 FHEDRO CN(C)c1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000517582639 944416263 /nfs/dbraw/zinc/41/62/63/944416263.db2.gz ZDHMBBUOJWHHNH-GOSISDBHSA-N 1 0 352.457 3.522 20 30 FHEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000418346875 944443609 /nfs/dbraw/zinc/44/36/09/944443609.db2.gz IDIKJSYXOAPMJR-FQEVSTJZSA-N 1 0 350.466 3.523 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000506516830 944444305 /nfs/dbraw/zinc/44/43/05/944444305.db2.gz RSLQXYROXAIUNT-IRXDYDNUSA-N 1 0 373.516 3.849 20 30 FHEDRO Cc1nc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)ccc1C#N ZINC000517620732 944449386 /nfs/dbraw/zinc/44/93/86/944449386.db2.gz MXXFBHDEGSQTNK-KRWDZBQOSA-N 1 0 362.477 3.655 20 30 FHEDRO C[C@H](OC[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000046836067 944455645 /nfs/dbraw/zinc/45/56/45/944455645.db2.gz NQNWGHYGFVRXOW-YWZLYKJASA-N 1 0 358.869 3.782 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)CCC)c2)CC1 ZINC000518513525 944458581 /nfs/dbraw/zinc/45/85/81/944458581.db2.gz COCGXONHUPGYHQ-UHFFFAOYSA-N 1 0 358.486 3.587 20 30 FHEDRO CC(C)C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCCc2cccnc21 ZINC000518534746 944486127 /nfs/dbraw/zinc/48/61/27/944486127.db2.gz MDRNIESFIIYUTR-LJQANCHMSA-N 1 0 360.465 3.532 20 30 FHEDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000438333945 944503325 /nfs/dbraw/zinc/50/33/25/944503325.db2.gz WJSSNZQIXOXEQY-JOCHJYFZSA-N 1 0 366.509 3.885 20 30 FHEDRO C[N@H+](CCOc1ccc(C#N)cc1)CCc1ccc(Br)cc1 ZINC000518581165 944505749 /nfs/dbraw/zinc/50/57/49/944505749.db2.gz WUUWVMLYQMLZIO-UHFFFAOYSA-N 1 0 359.267 3.874 20 30 FHEDRO C[C@H]1C[NH+](CC2CCN(Cc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000439422175 944594318 /nfs/dbraw/zinc/59/43/18/944594318.db2.gz MKPZAHZLYJIMSD-HOTGVXAUSA-N 1 0 361.917 3.533 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418439923 944594917 /nfs/dbraw/zinc/59/49/17/944594917.db2.gz GPXNZOCRGWWXFE-UHFFFAOYSA-N 1 0 354.498 3.568 20 30 FHEDRO CC[NH+](CC)CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000063767691 944652433 /nfs/dbraw/zinc/65/24/33/944652433.db2.gz QBHHHBWTWWWCDD-UHFFFAOYSA-N 1 0 351.450 3.612 20 30 FHEDRO CCOc1cccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000438483806 944664029 /nfs/dbraw/zinc/66/40/29/944664029.db2.gz GBGYEVPVFGQFHS-UHFFFAOYSA-N 1 0 351.450 3.832 20 30 FHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438492628 944685579 /nfs/dbraw/zinc/68/55/79/944685579.db2.gz PLBRZGBYBNVVKG-CVDCTZTESA-N 1 0 361.489 3.985 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000429801365 944735266 /nfs/dbraw/zinc/73/52/66/944735266.db2.gz LXWVJYQWZNFZMD-KBPBESRZSA-N 1 0 355.507 3.932 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCc2sc(C)nc21)C(C)C ZINC000426423637 944749075 /nfs/dbraw/zinc/74/90/75/944749075.db2.gz BHDXADZLCOIWBG-IRXDYDNUSA-N 1 0 361.555 3.686 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000517911364 944812097 /nfs/dbraw/zinc/81/20/97/944812097.db2.gz MVOYGROWLSXTOZ-IRLDBZIGSA-N 1 0 358.526 3.634 20 30 FHEDRO C=CCC1(NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CCCC1 ZINC000664852618 944817840 /nfs/dbraw/zinc/81/78/40/944817840.db2.gz PEDOLMPCOFEITM-UHFFFAOYSA-N 1 0 371.525 3.848 20 30 FHEDRO N#CCNC(=O)C[N@@H+](CC1(c2ccc(Cl)c(Cl)c2)CCC1)C1CC1 ZINC000426802997 944824527 /nfs/dbraw/zinc/82/45/27/944824527.db2.gz ZNMJMZZUKGZWAE-UHFFFAOYSA-N 1 0 366.292 3.519 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc3ncccc3c2)c1 ZINC000195292968 944847155 /nfs/dbraw/zinc/84/71/55/944847155.db2.gz JWLLRGAJKIWUNM-UHFFFAOYSA-N 1 0 364.449 3.959 20 30 FHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438647982 944890520 /nfs/dbraw/zinc/89/05/20/944890520.db2.gz PPPWKWUODRLUKD-OLZOCXBDSA-N 1 0 368.403 3.819 20 30 FHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438647981 944890651 /nfs/dbraw/zinc/89/06/51/944890651.db2.gz PPPWKWUODRLUKD-CHWSQXEVSA-N 1 0 368.403 3.819 20 30 FHEDRO C=CCc1cc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)cc(OC)c1O ZINC000511669850 944896066 /nfs/dbraw/zinc/89/60/66/944896066.db2.gz DTZZYOJGWLTQNH-NRFANRHFSA-N 1 0 353.462 3.875 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000516476727 944911952 /nfs/dbraw/zinc/91/19/52/944911952.db2.gz XJPZMRPHZPZEKV-LJQANCHMSA-N 1 0 354.425 3.792 20 30 FHEDRO O=C(NC1CCCCC1)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000438687825 944912113 /nfs/dbraw/zinc/91/21/13/944912113.db2.gz OFCDZWAHCRLUDN-UHFFFAOYSA-N 1 0 358.913 3.852 20 30 FHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1C#N ZINC000426482332 944929564 /nfs/dbraw/zinc/92/95/64/944929564.db2.gz KTHCDRWJCUTHBO-LPHOPBHVSA-N 1 0 354.498 3.905 20 30 FHEDRO CC(C)[NH+](CCNc1c(C#N)cnc2ccc(OC(F)F)cc21)C(C)C ZINC000507091320 944929617 /nfs/dbraw/zinc/92/96/17/944929617.db2.gz ZBOKPUQQMIGSJA-UHFFFAOYSA-N 1 0 362.424 3.660 20 30 FHEDRO CC(C)Oc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)[NH+](C)C)cc1 ZINC000516507636 944956072 /nfs/dbraw/zinc/95/60/72/944956072.db2.gz ZISFAJFYJVTFSU-FQEVSTJZSA-N 1 0 368.437 3.968 20 30 FHEDRO CCC[N@H+](C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000518049286 944959638 /nfs/dbraw/zinc/95/96/38/944959638.db2.gz FQYUQWZAKXZXRI-UHFFFAOYSA-N 1 0 351.450 3.726 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000432040634 944961430 /nfs/dbraw/zinc/96/14/30/944961430.db2.gz OWZHMXTWILYKJY-UHFFFAOYSA-N 1 0 368.487 3.778 20 30 FHEDRO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CC[C@H](O)CC1 ZINC000439784253 944968945 /nfs/dbraw/zinc/96/89/45/944968945.db2.gz VYBYROZXZYIKOZ-MEMLXQNLSA-N 1 0 350.462 3.873 20 30 FHEDRO C=CCc1cc(C(=O)N2CCC([NH2+]C3CCCC3)CC2)cc(OC)c1OC ZINC000109926258 944983495 /nfs/dbraw/zinc/98/34/95/944983495.db2.gz PTWYNWIRXSHKNQ-UHFFFAOYSA-N 1 0 372.509 3.569 20 30 FHEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000439799213 944984424 /nfs/dbraw/zinc/98/44/24/944984424.db2.gz FVYZHLIUVIXNBO-UHFFFAOYSA-N 1 0 367.424 3.557 20 30 FHEDRO O=C(Nc1cccc(F)c1)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000439802048 944987496 /nfs/dbraw/zinc/98/74/96/944987496.db2.gz AINPCYVQTUXMMW-UHFFFAOYSA-N 1 0 354.400 3.667 20 30 FHEDRO Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)n2c3ccccc3nc2c1C#N ZINC000518065303 944988654 /nfs/dbraw/zinc/98/86/54/944988654.db2.gz BVMUGLBOLPTYFC-KRWDZBQOSA-N 1 0 359.477 3.732 20 30 FHEDRO N#Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000426131212 944989905 /nfs/dbraw/zinc/98/99/05/944989905.db2.gz NNMUMKNOGUPBGH-QGZVFWFLSA-N 1 0 368.868 3.998 20 30 FHEDRO C=CCNC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000516553416 945000158 /nfs/dbraw/zinc/00/01/58/945000158.db2.gz KIMSPVYXCCMVOM-UHFFFAOYSA-N 1 0 359.470 3.567 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000111388869 945003150 /nfs/dbraw/zinc/00/31/50/945003150.db2.gz DJESTWKCPQJEKH-KBXCAEBGSA-N 1 0 369.852 3.526 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000111388875 945004524 /nfs/dbraw/zinc/00/45/24/945004524.db2.gz DJESTWKCPQJEKH-KDOFPFPSSA-N 1 0 369.852 3.526 20 30 FHEDRO CC(C)C1CCC(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000511752409 945019569 /nfs/dbraw/zinc/01/95/69/945019569.db2.gz CPCDWZPLNYDKAA-MNLRITNHSA-N 1 0 353.510 3.711 20 30 FHEDRO C=C(Cc1ccccc1)C(=O)N1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001270170964 945022065 /nfs/dbraw/zinc/02/20/65/945022065.db2.gz BFBVCSHNWDIJKM-UHFFFAOYSA-N 1 0 366.427 3.662 20 30 FHEDRO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1(C)C ZINC000437105436 945025978 /nfs/dbraw/zinc/02/59/78/945025978.db2.gz RXLWHQCRRHWKJF-GMNCBBECSA-N 1 0 357.498 3.825 20 30 FHEDRO Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000519594105 945034121 /nfs/dbraw/zinc/03/41/21/945034121.db2.gz CWGSXWAITBHNKR-NQAVQENRSA-N 1 0 364.489 3.744 20 30 FHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426157901 945035746 /nfs/dbraw/zinc/03/57/46/945035746.db2.gz ZFJXNLSQQZOHJK-UHFFFAOYSA-N 1 0 362.886 3.869 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000507230557 945052125 /nfs/dbraw/zinc/05/21/25/945052125.db2.gz OJWKSBPLXBXWCZ-HUUCEWRRSA-N 1 0 368.506 3.878 20 30 FHEDRO C[C@@H]1CC(N2CC[C@H]3SC(=O)C=C3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047579 945371302 /nfs/dbraw/zinc/37/13/02/945371302.db2.gz QUKRMIKBSQRRHK-JXXFODFXSA-N 1 0 356.535 3.702 20 30 FHEDRO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330167881 945384911 /nfs/dbraw/zinc/38/49/11/945384911.db2.gz ZNKMAQZZRFIQBN-IBGZPJMESA-N 1 0 357.498 3.648 20 30 FHEDRO CC(C)c1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cnn1-c1ccccc1 ZINC000330172647 945387702 /nfs/dbraw/zinc/38/77/02/945387702.db2.gz GOXNIPCEFNKDJI-MJGOQNOKSA-N 1 0 367.497 3.948 20 30 FHEDRO C[C@H]1CN(C(C)(C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000507652545 945405330 /nfs/dbraw/zinc/40/53/30/945405330.db2.gz ISLFXJCRNARTSB-OGWRGKRKSA-N 1 0 369.553 3.868 20 30 FHEDRO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1C ZINC000330226190 945411828 /nfs/dbraw/zinc/41/18/28/945411828.db2.gz BKCDTCACEUBWNN-QGZVFWFLSA-N 1 0 359.470 3.554 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1Br ZINC000330258638 945429311 /nfs/dbraw/zinc/42/93/11/945429311.db2.gz MQJPCSISNARLHJ-VQISRLSMSA-N 1 0 353.260 3.583 20 30 FHEDRO O=C(NCc1cccc(NC(=O)N2CCCC2)c1)C1CC[NH+](C2CC2)CC1 ZINC000330262039 945431619 /nfs/dbraw/zinc/43/16/19/945431619.db2.gz PPDJOLBKNAYLOQ-UHFFFAOYSA-N 1 0 370.497 3.659 20 30 FHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000330288568 945446835 /nfs/dbraw/zinc/44/68/35/945446835.db2.gz DCURFHSRPGTUCG-QGZVFWFLSA-N 1 0 360.498 3.956 20 30 FHEDRO CC[N@H+](C[C@@H](O)COc1cc(C)cc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000507699956 945465148 /nfs/dbraw/zinc/46/51/48/945465148.db2.gz DYPPOKWNFMIDFK-WIYYLYMNSA-N 1 0 352.478 3.998 20 30 FHEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1OC ZINC000280947094 945475699 /nfs/dbraw/zinc/47/56/99/945475699.db2.gz RHAVSNUPZAZCFS-HOTGVXAUSA-N 1 0 354.450 3.888 20 30 FHEDRO CCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(C(C)(C)C)cc1 ZINC000027057218 945505905 /nfs/dbraw/zinc/50/59/05/945505905.db2.gz GIQVFLSGIFZOTA-UHFFFAOYSA-O 1 0 371.526 3.829 20 30 FHEDRO C=CCN(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H](C)COC ZINC000664930626 945571687 /nfs/dbraw/zinc/57/16/87/945571687.db2.gz KBPPYTVLIGSEBL-FPOVZHCZSA-N 1 0 373.541 3.521 20 30 FHEDRO C[C@@H]([NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000187744229 945580225 /nfs/dbraw/zinc/58/02/25/945580225.db2.gz IEYUUVFSXSJWCD-MRXNPFEDSA-N 1 0 371.481 3.807 20 30 FHEDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000519735094 945697922 /nfs/dbraw/zinc/69/79/22/945697922.db2.gz OLFGMLGDBOFGFX-DHIUTWEWSA-N 1 0 361.489 3.517 20 30 FHEDRO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000550078161 945720986 /nfs/dbraw/zinc/72/09/86/945720986.db2.gz UVEIGKOWXLHGLX-CQSZACIVSA-N 1 0 358.835 3.944 20 30 FHEDRO COc1ccc(C[NH2+]CCN2CCCC(C)(C)C2)cc1OCCCC#N ZINC000444010974 945721582 /nfs/dbraw/zinc/72/15/82/945721582.db2.gz QYRYVDPJTFOSBE-UHFFFAOYSA-N 1 0 359.514 3.589 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(CCC#N)CC2)CC1 ZINC000519772227 945729700 /nfs/dbraw/zinc/72/97/00/945729700.db2.gz RXSKPJXQKIOFJG-GOSISDBHSA-N 1 0 368.525 3.937 20 30 FHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC000651711549 945741721 /nfs/dbraw/zinc/74/17/21/945741721.db2.gz MQXDLEYQPPJEOZ-QFBILLFUSA-N 1 0 372.509 3.643 20 30 FHEDRO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000444036279 945742237 /nfs/dbraw/zinc/74/22/37/945742237.db2.gz SJNNMPOQVPUAOI-UHFFFAOYSA-N 1 0 369.490 3.653 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000661116503 945748766 /nfs/dbraw/zinc/74/87/66/945748766.db2.gz YQMOAXHIAKJZJR-CRAIPNDOSA-N 1 0 363.465 3.746 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000661146898 945780069 /nfs/dbraw/zinc/78/00/69/945780069.db2.gz OGTPJHPJKRXYRB-KDURUIRLSA-N 1 0 369.509 3.552 20 30 FHEDRO N#Cc1cccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000473675583 945877038 /nfs/dbraw/zinc/87/70/38/945877038.db2.gz LWYCKBSHBYQRCJ-MRXNPFEDSA-N 1 0 360.244 3.760 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000281902686 945923459 /nfs/dbraw/zinc/92/34/59/945923459.db2.gz BQQQOLXSTCUBIJ-SFHVURJKSA-N 1 0 360.523 3.842 20 30 FHEDRO COc1cccc(C[N@H+](CCCC2(C#N)CCOCC2)C[C@H]2CCCO2)c1 ZINC000281912329 945926547 /nfs/dbraw/zinc/92/65/47/945926547.db2.gz GPHLQXFBJXBLMQ-OAQYLSRUSA-N 1 0 372.509 3.777 20 30 FHEDRO CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=[NH2+])Nc1cccc(C)c1)O[C@H](C)C2 ZINC000262503871 945969352 /nfs/dbraw/zinc/96/93/52/945969352.db2.gz ATODUYJIASYGNS-DKSSEZFCSA-N 1 0 365.477 4.000 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000444169780 946016993 /nfs/dbraw/zinc/01/69/93/946016993.db2.gz SHYVGHYAOSDIQX-QGZVFWFLSA-N 1 0 361.555 3.709 20 30 FHEDRO COc1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000262403078 946020580 /nfs/dbraw/zinc/02/05/80/946020580.db2.gz ZWRQZTZHNNIAQU-JTQLQIEISA-N 1 0 353.253 3.563 20 30 FHEDRO Cc1ccc(C(C)(C)C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000444177122 946034969 /nfs/dbraw/zinc/03/49/69/946034969.db2.gz SKNRMBVSMWBURD-OAQYLSRUSA-N 1 0 361.489 3.882 20 30 FHEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662824043 946065510 /nfs/dbraw/zinc/06/55/10/946065510.db2.gz VIVNDGXYMPOZPM-BDAKNGLRSA-N 1 0 374.300 3.832 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000661415694 946082332 /nfs/dbraw/zinc/08/23/32/946082332.db2.gz TXEYCUJYLIUZGM-QUCCMNQESA-N 1 0 356.514 3.732 20 30 FHEDRO N#Cc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000522905160 946084380 /nfs/dbraw/zinc/08/43/80/946084380.db2.gz YREQBTMYGMPZDR-FQEVSTJZSA-N 1 0 367.880 3.707 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000520067352 946089232 /nfs/dbraw/zinc/08/92/32/946089232.db2.gz ISHACINXEIAXKQ-OAQYLSRUSA-N 1 0 351.494 3.996 20 30 FHEDRO CC[NH+](CC)CCCC1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000440993922 946095848 /nfs/dbraw/zinc/09/58/48/946095848.db2.gz WZILISCZSSEZLF-UHFFFAOYSA-N 1 0 362.562 3.860 20 30 FHEDRO COc1cc(N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)cc(OC)c1 ZINC000441006064 946107008 /nfs/dbraw/zinc/10/70/08/946107008.db2.gz DVOUSTVVYHIGPT-IBGZPJMESA-N 1 0 368.452 3.771 20 30 FHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC1CCC(C#N)CC1 ZINC000441020887 946122871 /nfs/dbraw/zinc/12/28/71/946122871.db2.gz JOXZENRSVRHGDR-GRERDSQWSA-N 1 0 370.541 3.772 20 30 FHEDRO N#Cc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc2ccccc12 ZINC000522936099 946124443 /nfs/dbraw/zinc/12/44/43/946124443.db2.gz DYOVPTHVDGNGDO-LJQANCHMSA-N 1 0 356.473 3.505 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000594729986 946132663 /nfs/dbraw/zinc/13/26/63/946132663.db2.gz ACWMEMKXQVPCQU-OAHLLOKOSA-N 1 0 365.260 3.589 20 30 FHEDRO Cc1nc(C)c([C@@H](C)N(C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000248755463 946236402 /nfs/dbraw/zinc/23/64/02/946236402.db2.gz PHQNPQFSFAPIGC-KDOFPFPSSA-N 1 0 368.506 3.820 20 30 FHEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000151392248 946240650 /nfs/dbraw/zinc/24/06/50/946240650.db2.gz GIGMXPIXSBGBEY-ZDUSSCGKSA-N 1 0 372.266 3.828 20 30 FHEDRO CS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000441136227 946260504 /nfs/dbraw/zinc/26/05/04/946260504.db2.gz VGKJKQYGOFPJQR-ISXWCOSWSA-N 1 0 351.560 3.523 20 30 FHEDRO C[C@]1(c2ccccc2)CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000438489624 946261756 /nfs/dbraw/zinc/26/17/56/946261756.db2.gz GNVBWKBMOAFVDN-FQEVSTJZSA-N 1 0 353.853 3.814 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000045987035 946280488 /nfs/dbraw/zinc/28/04/88/946280488.db2.gz QBUUPYYOHIJABT-UHFFFAOYSA-N 1 0 364.493 3.742 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000151887551 946294028 /nfs/dbraw/zinc/29/40/28/946294028.db2.gz ATULEUNMDNGUCL-ROUUACIJSA-N 1 0 371.525 3.590 20 30 FHEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2cc3c(cc2OC(F)F)OCO3)c1 ZINC000262423711 946321399 /nfs/dbraw/zinc/32/13/99/946321399.db2.gz RHWDGHPVEWXGTH-UHFFFAOYSA-N 1 0 363.364 3.560 20 30 FHEDRO C[C@](C#N)(NC(=O)C[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1)C1CC1 ZINC000441174864 946335181 /nfs/dbraw/zinc/33/51/81/946335181.db2.gz FEMVILIVSZJEAT-LYUGPDTDSA-N 1 0 351.494 3.753 20 30 FHEDRO C#CCOc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000236737404 946371170 /nfs/dbraw/zinc/37/11/70/946371170.db2.gz PIMPJNMYJHAFIC-JOCHJYFZSA-N 1 0 351.446 3.957 20 30 FHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@@H](C[NH+](C)C)C2)c1Br ZINC000549557845 946376915 /nfs/dbraw/zinc/37/69/15/946376915.db2.gz RTMGRKCDHBPTMZ-ZDUSSCGKSA-N 1 0 373.298 3.565 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000475108962 946389176 /nfs/dbraw/zinc/38/91/76/946389176.db2.gz PKZKQXHJOJBHRT-NSHGMRRFSA-N 1 0 355.526 3.947 20 30 FHEDRO [NH2+]=C(NC[C@@H]1CCOc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000262513805 946413946 /nfs/dbraw/zinc/41/39/46/946413946.db2.gz FJLVRWZJGWXAPP-LBPRGKRZSA-N 1 0 365.355 3.878 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC000896985754 946427168 /nfs/dbraw/zinc/42/71/68/946427168.db2.gz YFXDKQVWNFRSEN-WMZOPIPTSA-N 1 0 373.497 3.714 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000475496746 946435177 /nfs/dbraw/zinc/43/51/77/946435177.db2.gz PFZWPSQIGHLLGZ-NRFANRHFSA-N 1 0 350.462 3.778 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652171153 946435844 /nfs/dbraw/zinc/43/58/44/946435844.db2.gz BVFNPHURMWPOHZ-WOZUAGRISA-N 1 0 371.525 3.622 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000893491602 946440960 /nfs/dbraw/zinc/44/09/60/946440960.db2.gz JZSJWQPJCOCTCL-UHFFFAOYSA-N 1 0 360.527 3.558 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CC(=O)N2Cc3ccccc3C2)cc1Cl ZINC000475499060 946499014 /nfs/dbraw/zinc/49/90/14/946499014.db2.gz RQXQYXHDDTZJSF-UHFFFAOYSA-N 1 0 356.853 3.537 20 30 FHEDRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000840789406 946530430 /nfs/dbraw/zinc/53/04/30/946530430.db2.gz GGVNIEYLUJKLQW-INIZCTEOSA-N 1 0 360.527 3.506 20 30 FHEDRO COc1cccc(C[N@H+](CCOc2ccc(C#N)cc2)C[C@H]2CCCO2)c1 ZINC000520392222 946535802 /nfs/dbraw/zinc/53/58/02/946535802.db2.gz RZDGUHJGSJDDRN-JOCHJYFZSA-N 1 0 366.461 3.627 20 30 FHEDRO C[C@H]1C[C@@H](CCNC(=O)c2sccc2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000866929185 946635761 /nfs/dbraw/zinc/63/57/61/946635761.db2.gz BWDWJJHIVCHZBH-FUHWJXTLSA-N 1 0 367.518 3.845 20 30 FHEDRO C#CC[N@@H+](Cc1c(C)cc(-c2nn[nH]n2)cc1C)[C@@H]1CCCc2ccccc21 ZINC001573282868 946699321 /nfs/dbraw/zinc/69/93/21/946699321.db2.gz NGBZCSJWQPRHSY-JOCHJYFZSA-N 1 0 371.488 3.996 20 30 FHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508495211 946712536 /nfs/dbraw/zinc/71/25/36/946712536.db2.gz UAMGUPCYWBEYKN-UHFFFAOYSA-N 1 0 369.488 3.725 20 30 FHEDRO CCc1ccc(NC(=[NH2+])NCc2ccc(OCC(F)(F)F)nc2)cc1 ZINC000303886160 946725013 /nfs/dbraw/zinc/72/50/13/946725013.db2.gz KDAZMUVZLDBLRE-UHFFFAOYSA-N 1 0 352.360 3.512 20 30 FHEDRO C=C(C)C[NH+]1CCC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000106245247 946731473 /nfs/dbraw/zinc/73/14/73/946731473.db2.gz AQTYJJDTNDAAJC-UHFFFAOYSA-N 1 0 355.438 3.985 20 30 FHEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000303908888 946734630 /nfs/dbraw/zinc/73/46/30/946734630.db2.gz XXIBSCGDKAGCKY-UHFFFAOYSA-N 1 0 352.360 3.566 20 30 FHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+][C@H]2CCn3ccnc3C2)cc1 ZINC000487501600 946738438 /nfs/dbraw/zinc/73/84/38/946738438.db2.gz OFWMVBNXQMCQNI-FQEVSTJZSA-N 1 0 359.477 3.764 20 30 FHEDRO C=C(C)C[N@H+](CC)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000123038147 946757033 /nfs/dbraw/zinc/75/70/33/946757033.db2.gz PIVHIDNGICTZTD-UHFFFAOYSA-N 1 0 368.481 3.845 20 30 FHEDRO C=CCN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H](C)COC ZINC000665821731 946759947 /nfs/dbraw/zinc/75/99/47/946759947.db2.gz SUTOCLJGEYAZQS-SFHVURJKSA-N 1 0 359.514 3.770 20 30 FHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000609469662 946783095 /nfs/dbraw/zinc/78/30/95/946783095.db2.gz ZTSHWVQPCCTVQS-AWEZNQCLSA-N 1 0 354.429 3.948 20 30 FHEDRO N#CC1(c2ccc(C[NH+]3CC(c4nc(-c5ccccc5)no4)C3)cc2)CC1 ZINC000897319721 946820210 /nfs/dbraw/zinc/82/02/10/946820210.db2.gz WKKHRJGNDHZXHM-UHFFFAOYSA-N 1 0 356.429 3.891 20 30 FHEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CCOCC1 ZINC000282014081 946832190 /nfs/dbraw/zinc/83/21/90/946832190.db2.gz OQDXJAODBINPIO-WOJBJXKFSA-N 1 0 360.473 3.814 20 30 FHEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CCOCC1 ZINC000282014062 946832242 /nfs/dbraw/zinc/83/22/42/946832242.db2.gz OQDXJAODBINPIO-UXHICEINSA-N 1 0 360.473 3.814 20 30 FHEDRO [NH2+]=C(NCC1(c2ccc(F)cc2Cl)CC1)N[C@@H]1CCOc2ccccc21 ZINC000305690509 946858814 /nfs/dbraw/zinc/85/88/14/946858814.db2.gz BOYHPQIEVVPTFZ-QGZVFWFLSA-N 1 0 373.859 3.939 20 30 FHEDRO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000475322683 946859220 /nfs/dbraw/zinc/85/92/20/946859220.db2.gz RBDZZJCPGATFHN-HXUWFJFHSA-N 1 0 350.462 3.598 20 30 FHEDRO CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475309794 946863698 /nfs/dbraw/zinc/86/36/98/946863698.db2.gz YJQBLBZJWYAGPI-LJQANCHMSA-N 1 0 365.502 3.649 20 30 FHEDRO CCOc1cccc(CNC(=[NH2+])NC2CCCCCC2)c1OC(F)F ZINC000305743162 946864839 /nfs/dbraw/zinc/86/48/39/946864839.db2.gz JNNXMBUWJRNLML-UHFFFAOYSA-N 1 0 355.429 3.814 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475311110 946865511 /nfs/dbraw/zinc/86/55/11/946865511.db2.gz GWUYPHWTTLWQIK-UHFFFAOYSA-N 1 0 367.468 3.831 20 30 FHEDRO COc1cccc(NC(=[NH2+])NCc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC000305775895 946868705 /nfs/dbraw/zinc/86/87/05/946868705.db2.gz NZJUIJCODFDSOP-UHFFFAOYSA-N 1 0 355.438 3.577 20 30 FHEDRO CC[N@H+](CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C(C)C ZINC000523139144 946892032 /nfs/dbraw/zinc/89/20/32/946892032.db2.gz CVCGEGBICXYUPH-UHFFFAOYSA-N 1 0 350.466 3.762 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475322895 946899084 /nfs/dbraw/zinc/89/90/84/946899084.db2.gz UJCCNOBLCKGFFY-UHFFFAOYSA-N 1 0 374.488 3.563 20 30 FHEDRO N#CCCn1cc(C[NH2+]Cc2ccc3ncccc3c2)c(-c2ccncc2)n1 ZINC000475349950 946923190 /nfs/dbraw/zinc/92/31/90/946923190.db2.gz JBDDLOLDCAJRTG-UHFFFAOYSA-N 1 0 368.444 3.697 20 30 FHEDRO Cc1nc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)sc1C ZINC000328612854 946956646 /nfs/dbraw/zinc/95/66/46/946956646.db2.gz PVDBRMNRVYFPGM-INIZCTEOSA-N 1 0 350.532 3.561 20 30 FHEDRO O=C(CN1CCC[C@@H](c2ncc3n2CCCC3)C1)Nc1ccccc1F ZINC000328650359 946965435 /nfs/dbraw/zinc/96/54/35/946965435.db2.gz JEBGTQHLXJYDSB-OAHLLOKOSA-N 1 0 356.445 3.826 20 30 FHEDRO C=C(C)C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1 ZINC001573293693 946965750 /nfs/dbraw/zinc/96/57/50/946965750.db2.gz GNYRODVZEOHTEV-UHFFFAOYSA-N 1 0 363.465 3.714 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc(OC)c1O ZINC000475372008 946975279 /nfs/dbraw/zinc/97/52/79/946975279.db2.gz VPHFHZVLRHVVRK-QHCPKHFHSA-N 1 0 367.489 3.699 20 30 FHEDRO C[C@H](C1CCCCC1)N(C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000328719504 946979979 /nfs/dbraw/zinc/97/99/79/946979979.db2.gz VOTDSTLHYQQVLY-AHRSYUTCSA-N 1 0 365.562 3.569 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000066922195 946997353 /nfs/dbraw/zinc/99/73/53/946997353.db2.gz VXEGMXUUGGVHPI-UHFFFAOYSA-N 1 0 358.913 3.613 20 30 FHEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000328776879 947022747 /nfs/dbraw/zinc/02/27/47/947022747.db2.gz CTWKVQSLWQLKAU-HBUWYVDXSA-N 1 0 356.445 3.586 20 30 FHEDRO COC(=O)c1ccc(N2CC[N@H+](CCCCC(C)(C)C#N)[C@@H](C)C2)cc1 ZINC000444607277 947034060 /nfs/dbraw/zinc/03/40/60/947034060.db2.gz IHEFTFUQXMGKRN-KRWDZBQOSA-N 1 0 357.498 3.704 20 30 FHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000444619200 947051369 /nfs/dbraw/zinc/05/13/69/947051369.db2.gz JBKWUNSDCNYVOP-XZOQPEGZSA-N 1 0 373.500 3.733 20 30 FHEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000444653245 947073795 /nfs/dbraw/zinc/07/37/95/947073795.db2.gz VMPQMTOCSQYDJT-HNNXBMFYSA-N 1 0 361.452 3.829 20 30 FHEDRO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)c1 ZINC000328936942 947092560 /nfs/dbraw/zinc/09/25/60/947092560.db2.gz CTORSBMTVIVXFM-ROPHOZQPSA-N 1 0 360.498 3.532 20 30 FHEDRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCCC[C@H]1C ZINC000328939446 947093567 /nfs/dbraw/zinc/09/35/67/947093567.db2.gz KKUSZMHQPPZQJY-FTEYMNFISA-N 1 0 371.525 3.501 20 30 FHEDRO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)c1 ZINC000328941301 947095317 /nfs/dbraw/zinc/09/53/17/947095317.db2.gz FGVKMVHYWOANGQ-GMLUQMLDSA-N 1 0 360.498 3.532 20 30 FHEDRO C[C@H]1C[C@H](C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCC1=O ZINC000328954768 947100642 /nfs/dbraw/zinc/10/06/42/947100642.db2.gz MYKWQTRCKGNDNY-FUHWJXTLSA-N 1 0 369.509 3.812 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000328962212 947125214 /nfs/dbraw/zinc/12/52/14/947125214.db2.gz QOAGJYUUTRJQTP-HZPDHXFCSA-N 1 0 365.543 3.771 20 30 FHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444715813 947129928 /nfs/dbraw/zinc/12/99/28/947129928.db2.gz DOHGSRYFARRJGQ-GOSISDBHSA-N 1 0 365.477 3.678 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3ccnc(-c4ccccc4)n3)CC2)cc1 ZINC000511956811 947144691 /nfs/dbraw/zinc/14/46/91/947144691.db2.gz KTJICTYHCPCGFY-UHFFFAOYSA-N 1 0 369.472 3.728 20 30 FHEDRO C=CC[NH+]1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000301156520 947207871 /nfs/dbraw/zinc/20/78/71/947207871.db2.gz DDYKOKVNPYPBNT-UHFFFAOYSA-N 1 0 365.433 3.888 20 30 FHEDRO COc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc(OC)c1C(C)C ZINC000330757927 947269291 /nfs/dbraw/zinc/26/92/91/947269291.db2.gz LGGRIYWUALCSGE-INIZCTEOSA-N 1 0 363.502 3.645 20 30 FHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330860320 947287478 /nfs/dbraw/zinc/28/74/78/947287478.db2.gz RRGDMTPKLDQBLO-LBPRGKRZSA-N 1 0 352.410 3.570 20 30 FHEDRO COc1cc(Cl)c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC000330960888 947317087 /nfs/dbraw/zinc/31/70/87/947317087.db2.gz JITMTKARTLLUAD-UHFFFAOYSA-N 1 0 354.878 3.784 20 30 FHEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC ZINC000330963065 947318382 /nfs/dbraw/zinc/31/83/82/947318382.db2.gz GOWNWMGQSNZUHD-AWEZNQCLSA-N 1 0 364.559 3.983 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(C)C)c(OC)c2)C[C@H]1C ZINC000330964240 947318713 /nfs/dbraw/zinc/31/87/13/947318713.db2.gz CAYPEUBMYCJTGJ-NVXWUHKLSA-N 1 0 363.502 3.833 20 30 FHEDRO Cc1nn(CC(F)(F)F)cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000331047987 947334818 /nfs/dbraw/zinc/33/48/18/947334818.db2.gz JJAKZUSPWLWFLI-GFCCVEGCSA-N 1 0 360.424 3.569 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cl)c(OC)cc2OC)C[C@H]1C ZINC000331135790 947354469 /nfs/dbraw/zinc/35/44/69/947354469.db2.gz CSHGHOBYHZKBNJ-OLZOCXBDSA-N 1 0 369.893 3.707 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Cl)c(OC)cc2OC)C[C@H]1C ZINC000331135788 947354837 /nfs/dbraw/zinc/35/48/37/947354837.db2.gz CSHGHOBYHZKBNJ-CHWSQXEVSA-N 1 0 369.893 3.707 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440611893 947359091 /nfs/dbraw/zinc/35/90/91/947359091.db2.gz LTVTXUCFNMHXBI-PKOBYXMFSA-N 1 0 360.816 3.979 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000440607544 947361157 /nfs/dbraw/zinc/36/11/57/947361157.db2.gz FECRWQSQHWBKJA-QUCCMNQESA-N 1 0 355.869 3.755 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)NC)c(Cl)c2)C[C@@H]1C ZINC000331282943 947376065 /nfs/dbraw/zinc/37/60/65/947376065.db2.gz LYYGIFXYGWYLIO-JSGCOSHPSA-N 1 0 366.893 3.625 20 30 FHEDRO Cc1ccc(Cl)c(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000331252357 947381803 /nfs/dbraw/zinc/38/18/03/947381803.db2.gz UJWLHCRPTKRCJA-CQSZACIVSA-N 1 0 367.921 3.527 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(C)cc2OC[C@H]2CCCO2)ccc1C#N ZINC000440616917 947391571 /nfs/dbraw/zinc/39/15/71/947391571.db2.gz UCJZDLBPKAXERE-HXUWFJFHSA-N 1 0 366.461 3.723 20 30 FHEDRO Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc1C(=O)N(C)C ZINC000331303410 947393256 /nfs/dbraw/zinc/39/32/56/947393256.db2.gz XQRVPFSKWZGNKY-SFHVURJKSA-N 1 0 374.529 3.533 20 30 FHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(Cl)cc(C#N)c3)C2)nc1 ZINC001167789592 947463520 /nfs/dbraw/zinc/46/35/20/947463520.db2.gz UXMFQSRFXWRHSQ-KRWDZBQOSA-N 1 0 368.868 3.766 20 30 FHEDRO CC[N@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440645997 947479385 /nfs/dbraw/zinc/47/93/85/947479385.db2.gz GHNZHASCNGYOIW-ZDUSSCGKSA-N 1 0 373.298 3.647 20 30 FHEDRO N#Cc1cccc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000523691051 947521143 /nfs/dbraw/zinc/52/11/43/947521143.db2.gz AOLHGUGLFCYQRC-INIZCTEOSA-N 1 0 361.367 3.825 20 30 FHEDRO N#Cc1cccc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000523691052 947521295 /nfs/dbraw/zinc/52/12/95/947521295.db2.gz AOLHGUGLFCYQRC-MRXNPFEDSA-N 1 0 361.367 3.825 20 30 FHEDRO C=CC[N@H+](CCSCc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573341278 947528025 /nfs/dbraw/zinc/52/80/25/947528025.db2.gz KFUUVFFFNWMNLH-UHFFFAOYSA-N 1 0 365.506 3.788 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189158740 947650528 /nfs/dbraw/zinc/65/05/28/947650528.db2.gz KEDCCBSFHVAOAV-SFHVURJKSA-N 1 0 353.384 3.828 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC(C)(C)c1nc(C)cs1)C(C)C ZINC000523916927 947714937 /nfs/dbraw/zinc/71/49/37/947714937.db2.gz KOQWGOKXPJRLJO-MRXNPFEDSA-N 1 0 364.559 3.684 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CCC[NH2+]1 ZINC000662502325 947876169 /nfs/dbraw/zinc/87/61/69/947876169.db2.gz VKKCIYMUXXIEAV-KRWDZBQOSA-N 1 0 374.378 3.740 20 30 FHEDRO C=CC[C@@]1(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)CCC[NH2+]1 ZINC000662566707 947907954 /nfs/dbraw/zinc/90/79/54/947907954.db2.gz QCFZSFXZCJKKNV-QFIPXVFZSA-N 1 0 360.461 3.544 20 30 FHEDRO C=CCC[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000190031587 947911969 /nfs/dbraw/zinc/91/19/69/947911969.db2.gz WMAHUMKKZXVAJF-JOCHJYFZSA-N 1 0 370.537 3.840 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)CCC[NH2+]1 ZINC000662581642 947912513 /nfs/dbraw/zinc/91/25/13/947912513.db2.gz IXVPXHKSJDZNAT-LJQANCHMSA-N 1 0 356.495 3.501 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)CCC[NH2+]1 ZINC000662700681 947990851 /nfs/dbraw/zinc/99/08/51/947990851.db2.gz JSYJBOJBFZYZDE-JOCHJYFZSA-N 1 0 360.461 3.721 20 30 FHEDRO CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(C#N)cc1 ZINC000278895013 948023104 /nfs/dbraw/zinc/02/31/04/948023104.db2.gz YVYNFRLMCAIFOA-QGZVFWFLSA-N 1 0 362.882 3.856 20 30 FHEDRO C[NH+](C)C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000549616278 948072390 /nfs/dbraw/zinc/07/23/90/948072390.db2.gz KLJLVJZGUWXVEU-KRWDZBQOSA-N 1 0 362.260 3.898 20 30 FHEDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1C#N ZINC000237179144 948217813 /nfs/dbraw/zinc/21/78/13/948217813.db2.gz YZWSATKZPDMDEN-WMZOPIPTSA-N 1 0 373.497 3.740 20 30 FHEDRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236815355 948231342 /nfs/dbraw/zinc/23/13/42/948231342.db2.gz JPEMUQCBXQIZPH-QGZVFWFLSA-N 1 0 365.477 3.749 20 30 FHEDRO COCC[N@H+](C)CCCC1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000585719433 948234536 /nfs/dbraw/zinc/23/45/36/948234536.db2.gz TZSAGDCTEKYXSK-HXUWFJFHSA-N 1 0 363.933 3.975 20 30 FHEDRO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000520533997 948241808 /nfs/dbraw/zinc/24/18/08/948241808.db2.gz QXDDETOHGRXLTO-WIYYLYMNSA-N 1 0 368.525 3.602 20 30 FHEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@@H](C)COC ZINC000663583852 948254663 /nfs/dbraw/zinc/25/46/63/948254663.db2.gz WXDLYRXHFKWXBH-MOPGFXCFSA-N 1 0 373.541 3.794 20 30 FHEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000585755354 948265708 /nfs/dbraw/zinc/26/57/08/948265708.db2.gz BZQZBEQIJMFJNH-SFHVURJKSA-N 1 0 372.266 3.965 20 30 FHEDRO COCCC1(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCCCC1 ZINC000184723399 948274775 /nfs/dbraw/zinc/27/47/75/948274775.db2.gz LAGCQANSFUJEGC-FQEVSTJZSA-N 1 0 369.509 3.630 20 30 FHEDRO Cn1cc([C@H]2C[N@H+](Cc3ccc(C#N)cc3OC(F)F)CC2(C)C)cn1 ZINC000574700774 948356395 /nfs/dbraw/zinc/35/63/95/948356395.db2.gz JQIDRCKHWIVUON-MRXNPFEDSA-N 1 0 360.408 3.519 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2sc(C)nc2CC(C)C)CC1 ZINC000135453541 948425209 /nfs/dbraw/zinc/42/52/09/948425209.db2.gz KRYULGODWUNWMX-UHFFFAOYSA-N 1 0 350.532 3.812 20 30 FHEDRO COc1cccc([C@@H]2CN(Cc3cccc(OCCCC#N)c3)CCO2)c1 ZINC000093079768 948479471 /nfs/dbraw/zinc/47/94/71/948479471.db2.gz FZSFICVQEUPWQB-QFIPXVFZSA-N 1 0 366.461 3.951 20 30 FHEDRO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000120927785 948566778 /nfs/dbraw/zinc/56/67/78/948566778.db2.gz VCGGPRPZMDZYAD-UHFFFAOYSA-N 1 0 350.462 3.996 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Cl)c(-n3cccc3)cc2OC)CC1 ZINC000520687663 948584669 /nfs/dbraw/zinc/58/46/69/948584669.db2.gz OESYDQGEKXEPGY-UHFFFAOYSA-N 1 0 373.884 3.520 20 30 FHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000549645935 948809715 /nfs/dbraw/zinc/80/97/15/948809715.db2.gz CVMUUWYYFRNHJD-UHFFFAOYSA-N 1 0 361.578 3.999 20 30 FHEDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000524045170 948814660 /nfs/dbraw/zinc/81/46/60/948814660.db2.gz DZMVICAFVHCPIH-KRWDZBQOSA-N 1 0 365.477 3.597 20 30 FHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549647848 948822824 /nfs/dbraw/zinc/82/28/24/948822824.db2.gz WTFLSQGMJCTQCD-UHFFFAOYSA-N 1 0 359.562 3.898 20 30 FHEDRO C(=[NH+]/OCc1coc(-c2cccs2)n1)\c1ccc(N2CCOCC2)cc1 ZINC000097604640 132230075 /nfs/dbraw/zinc/23/00/75/132230075.db2.gz YLZOXVCKUVJLOP-UDWIEESQSA-N 1 0 369.446 3.790 20 30 FHEDRO CCC1([NH+](C)C)CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000601791037 567842695 /nfs/dbraw/zinc/84/26/95/567842695.db2.gz FMPLNJZAFMCNBA-UHFFFAOYSA-N 1 0 354.281 3.811 20 30 FHEDRO C=CCC1(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CCC1 ZINC000188533133 567879108 /nfs/dbraw/zinc/87/91/08/567879108.db2.gz AXNPJPDMVZJBGD-ROUUACIJSA-N 1 0 356.510 3.658 20 30 FHEDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)N1CCCC1 ZINC000602498385 567983595 /nfs/dbraw/zinc/98/35/95/567983595.db2.gz JOWDPIKCPFEHRC-UYAOXDASSA-N 1 0 371.525 3.521 20 30 FHEDRO CC[NH+]1CCN(c2ccc(N[C@@H](C)CC3(C#N)CCOCC3)c(C)c2)CC1 ZINC000602493895 567986436 /nfs/dbraw/zinc/98/64/36/567986436.db2.gz NBSHVLXNRSFHCI-IBGZPJMESA-N 1 0 370.541 3.648 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000602515216 567986579 /nfs/dbraw/zinc/98/65/79/567986579.db2.gz OOZDYOCMUXOOHR-YOEHRIQHSA-N 1 0 367.415 3.898 20 30 FHEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000602519401 567986997 /nfs/dbraw/zinc/98/69/97/567986997.db2.gz XZUHGLNDCBSTHZ-HKUYNNGSSA-N 1 0 357.498 3.668 20 30 FHEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602522247 567987332 /nfs/dbraw/zinc/98/73/32/567987332.db2.gz SMMUVMPVRLBEOG-SJORKVTESA-N 1 0 357.498 3.860 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000602525497 567987691 /nfs/dbraw/zinc/98/76/91/567987691.db2.gz IEYPZUCOFYRSRS-HUUCEWRRSA-N 1 0 350.304 3.805 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000602526375 567987898 /nfs/dbraw/zinc/98/78/98/567987898.db2.gz VYXFCYCBAOCEDC-TZIWHRDSSA-N 1 0 355.526 3.730 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccccc1Br ZINC000602529361 567988177 /nfs/dbraw/zinc/98/81/77/567988177.db2.gz BCZQUILVUFHZPI-AWEZNQCLSA-N 1 0 351.288 3.680 20 30 FHEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602504109 567988518 /nfs/dbraw/zinc/98/85/18/567988518.db2.gz SFADUSHGKQKLQJ-MRXNPFEDSA-N 1 0 352.482 3.678 20 30 FHEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602508507 567988979 /nfs/dbraw/zinc/98/89/79/567988979.db2.gz NBDYGHZOPYQQBO-FPOVZHCZSA-N 1 0 357.542 3.628 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc(F)c(F)c1 ZINC000186843802 567991433 /nfs/dbraw/zinc/99/14/33/567991433.db2.gz LULLCGUFROMUJJ-QGZVFWFLSA-N 1 0 351.441 3.708 20 30 FHEDRO C=C(C)C[NH+]1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602539329 567992762 /nfs/dbraw/zinc/99/27/62/567992762.db2.gz JRDSQZRRANBRHR-UHFFFAOYSA-N 1 0 374.304 3.549 20 30 FHEDRO CCOc1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1OC(F)F ZINC000602567157 567995685 /nfs/dbraw/zinc/99/56/85/567995685.db2.gz INLJUTYCZUVMSS-AWEZNQCLSA-N 1 0 368.424 3.875 20 30 FHEDRO COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602574824 567996467 /nfs/dbraw/zinc/99/64/67/567996467.db2.gz DLQPKFCMMBUGLJ-SFHVURJKSA-N 1 0 360.498 3.599 20 30 FHEDRO N#CCc1ccc(C[NH+]2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000602878968 568003673 /nfs/dbraw/zinc/00/36/73/568003673.db2.gz WWQUBPMJKBHKCR-UHFFFAOYSA-N 1 0 357.461 3.917 20 30 FHEDRO C[C@@H](CC#N)NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000602869954 568008985 /nfs/dbraw/zinc/00/89/85/568008985.db2.gz RDXAQWDBTSVRCW-GUYCJALGSA-N 1 0 370.840 3.502 20 30 FHEDRO CN1CC[C@@H]([NH2+]CC2(C#N)CCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000602697157 568016416 /nfs/dbraw/zinc/01/64/16/568016416.db2.gz IOPSNQVQLYQDNI-IAGOWNOFSA-N 1 0 362.315 3.868 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000602705861 568018116 /nfs/dbraw/zinc/01/81/16/568018116.db2.gz NFTTWHMVHMOLGB-SJORKVTESA-N 1 0 361.917 3.855 20 30 FHEDRO C[C@@H](OC[C@H](O)C[NH2+]CC#Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000521427684 568018635 /nfs/dbraw/zinc/01/86/35/568018635.db2.gz ONBRWXLZGSMMEX-FOIQADDNSA-N 1 0 361.844 3.559 20 30 FHEDRO CCC[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CC[N@@H+]1CCOC ZINC000568336819 568026166 /nfs/dbraw/zinc/02/61/66/568026166.db2.gz GFYMNHWCHGIIRT-KRWDZBQOSA-N 1 0 369.431 3.510 20 30 FHEDRO N#CC1(CCC[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)CCOCC1 ZINC000602811074 568041981 /nfs/dbraw/zinc/04/19/81/568041981.db2.gz JXFLTGCKFNDCGR-IBGZPJMESA-N 1 0 366.509 3.849 20 30 FHEDRO Cc1ccc(C[C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000568548316 568050377 /nfs/dbraw/zinc/05/03/77/568050377.db2.gz ZUWWSXARPNQYHY-GGAORHGYSA-N 1 0 373.500 3.927 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCSc4ccccc43)C2=O)cc1 ZINC000541882029 568061187 /nfs/dbraw/zinc/06/11/87/568061187.db2.gz GXUPPGFZNKMNRW-OALUTQOASA-N 1 0 363.486 3.880 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCSc4ccccc43)C2=O)cc1 ZINC000541882031 568061418 /nfs/dbraw/zinc/06/14/18/568061418.db2.gz GXUPPGFZNKMNRW-RTBURBONSA-N 1 0 363.486 3.880 20 30 FHEDRO N#CC(CCn1cc([C@H]2CCC[NH2+]C2)nn1)(c1ccccc1)c1ccccc1 ZINC000603176846 568068116 /nfs/dbraw/zinc/06/81/16/568068116.db2.gz BXJVUQGNXVSIMX-IBGZPJMESA-N 1 0 371.488 3.645 20 30 FHEDRO CC[C@@](C)([NH3+])c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603177945 568068223 /nfs/dbraw/zinc/06/82/23/568068223.db2.gz HBMARJUMQPDXSF-OAQYLSRUSA-N 1 0 359.477 3.762 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000481646450 568080431 /nfs/dbraw/zinc/08/04/31/568080431.db2.gz QCSMRQNZAWHGAX-IBGZPJMESA-N 1 0 369.415 3.624 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000481669419 568080949 /nfs/dbraw/zinc/08/09/49/568080949.db2.gz VFCRRSZYSZDXLT-HXUWFJFHSA-N 1 0 367.880 3.999 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000481677202 568085722 /nfs/dbraw/zinc/08/57/22/568085722.db2.gz YPLVLOWJMQDLJO-GCJKJVERSA-N 1 0 352.453 3.906 20 30 FHEDRO N#Cc1cc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)ccc1F ZINC000481716589 568094125 /nfs/dbraw/zinc/09/41/25/568094125.db2.gz XZDZJQGQBVEGHH-UHFFFAOYSA-N 1 0 358.461 3.817 20 30 FHEDRO COc1ccc(C[NH2+]CCc2ccc(F)cc2F)cc1OCCCC#N ZINC000069877705 568097347 /nfs/dbraw/zinc/09/73/47/568097347.db2.gz CWVUNHFFTFIQDW-UHFFFAOYSA-N 1 0 360.404 3.988 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc(C[NH+](C)C)c2)c1 ZINC000603659087 568134297 /nfs/dbraw/zinc/13/42/97/568134297.db2.gz ZUFRMEOPMLRAHR-UHFFFAOYSA-N 1 0 364.493 3.724 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)C1(c2ccccc2)CCCC1 ZINC000481826768 568136219 /nfs/dbraw/zinc/13/62/19/568136219.db2.gz YBTVBKAGIDSVHB-GOSISDBHSA-N 1 0 361.489 3.665 20 30 FHEDRO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000603853666 568167262 /nfs/dbraw/zinc/16/72/62/568167262.db2.gz KUVFGNMPISVYMM-DENIHFKCSA-N 1 0 353.510 3.929 20 30 FHEDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181912547 568178422 /nfs/dbraw/zinc/17/84/22/568178422.db2.gz BRTLPNCCOZTFFX-WZONZLPQSA-N 1 0 363.505 3.624 20 30 FHEDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)N(C)C)cc1OC ZINC000181918272 568196322 /nfs/dbraw/zinc/19/63/22/568196322.db2.gz OLTDZXNYBBZGRE-BEFAXECRSA-N 1 0 353.466 3.529 20 30 FHEDRO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000481997391 568219504 /nfs/dbraw/zinc/21/95/04/568219504.db2.gz HQJWVKXDYRGLKL-QGZVFWFLSA-N 1 0 360.504 3.581 20 30 FHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000604266902 568241403 /nfs/dbraw/zinc/24/14/03/568241403.db2.gz MIKIVOFSRJVZHD-OAQYLSRUSA-N 1 0 371.525 3.540 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000303453933 568279819 /nfs/dbraw/zinc/27/98/19/568279819.db2.gz FPBQUXORKPHRRO-HXUWFJFHSA-N 1 0 350.462 3.532 20 30 FHEDRO N#Cc1cnn2cc(C[NH+]3CCC(F)(c4ccc(Cl)cc4)CC3)cnc12 ZINC000563148866 568285661 /nfs/dbraw/zinc/28/56/61/568285661.db2.gz AUFABDORFDYIQY-UHFFFAOYSA-N 1 0 369.831 3.715 20 30 FHEDRO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604501463 568301857 /nfs/dbraw/zinc/30/18/57/568301857.db2.gz XLIOMBDFGPADCP-HXUWFJFHSA-N 1 0 356.441 3.542 20 30 FHEDRO N#CCc1ccc(OCc2ccccc2NC(=O)CCCn2ccnc2)cc1 ZINC000604528543 568310598 /nfs/dbraw/zinc/31/05/98/568310598.db2.gz SDQWDZNPJUWHKW-UHFFFAOYSA-N 1 0 374.444 3.947 20 30 FHEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569240128 568317365 /nfs/dbraw/zinc/31/73/65/568317365.db2.gz JYYYAVPXEDXLLU-JYJNAYRXSA-N 1 0 350.466 3.711 20 30 FHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031619648 568334823 /nfs/dbraw/zinc/33/48/23/568334823.db2.gz ASTXLRROZRUWMI-KRWDZBQOSA-N 1 0 363.461 3.950 20 30 FHEDRO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCc4nccn4C3)cc2)c1 ZINC000365275552 568394528 /nfs/dbraw/zinc/39/45/28/568394528.db2.gz DOJUGOKMMBEMBW-GOSISDBHSA-N 1 0 372.428 3.535 20 30 FHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](C)C2CC2)c1C#N ZINC000569540628 568406652 /nfs/dbraw/zinc/40/66/52/568406652.db2.gz JNZGGWKUBAIBLA-INIZCTEOSA-N 1 0 350.466 3.635 20 30 FHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](C)C2CC2)c1C#N ZINC000569540629 568406669 /nfs/dbraw/zinc/40/66/69/568406669.db2.gz JNZGGWKUBAIBLA-MRXNPFEDSA-N 1 0 350.466 3.635 20 30 FHEDRO N#Cc1ccc(CNC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1 ZINC000569638725 568407158 /nfs/dbraw/zinc/40/71/58/568407158.db2.gz VNBYGOTWJBQNRP-UHFFFAOYSA-N 1 0 361.489 3.519 20 30 FHEDRO C[C@]1(NC(=O)c2cc(C#N)ccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000569609707 568409797 /nfs/dbraw/zinc/40/97/97/568409797.db2.gz YKHIPRVJCAYUCJ-FQEVSTJZSA-N 1 0 353.853 3.606 20 30 FHEDRO CSC1(CNc2c(C#N)cnc3c(Cl)cccc32)CC[NH+](C)CC1 ZINC000569689070 568411867 /nfs/dbraw/zinc/41/18/67/568411867.db2.gz GHAPVCIGPBEJCC-UHFFFAOYSA-N 1 0 360.914 3.999 20 30 FHEDRO Cc1cc(C)cc(OCc2noc(CNC3(c4cccc(C#N)c4)CC3)n2)c1 ZINC000570148422 568455077 /nfs/dbraw/zinc/45/50/77/568455077.db2.gz BIDMGYOJFZETPQ-UHFFFAOYSA-N 1 0 374.444 3.916 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[NH+](C)C)cc1 ZINC000570764544 568523425 /nfs/dbraw/zinc/52/34/25/568523425.db2.gz WOPAAISOFLGGOG-LJQANCHMSA-N 1 0 354.429 3.684 20 30 FHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1F ZINC000182028933 568559367 /nfs/dbraw/zinc/55/93/67/568559367.db2.gz KWISVPCGLBFSPY-NWDGAFQWSA-N 1 0 359.401 3.594 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)cc1 ZINC000737717579 598888189 /nfs/dbraw/zinc/88/81/89/598888189.db2.gz GKGTWRFCCRWGGR-UHFFFAOYSA-N 1 0 372.457 3.757 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000819730313 606997655 /nfs/dbraw/zinc/99/76/55/606997655.db2.gz VOMLTAUPNITQLV-AWEZNQCLSA-N 1 0 369.856 3.849 20 30 FHEDRO N#Cc1cc(Cl)cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626826 719073127 /nfs/dbraw/zinc/07/31/27/719073127.db2.gz PLQOKCDPUUALDY-QFBILLFUSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1c2c(cnc1N1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC001164628575 719112849 /nfs/dbraw/zinc/11/28/49/719112849.db2.gz NOMIRIUMYGQICH-NZQKXSOJSA-N 1 0 372.516 3.933 20 30 FHEDRO C[C@@H]1CN(c2nc3cc(F)c(F)cc3c(Cl)c2C#N)[C@@H](C)C[N@@H+]1C ZINC001164636342 719258851 /nfs/dbraw/zinc/25/88/51/719258851.db2.gz SDWIHSOHEQSVAC-ZJUUUORDSA-N 1 0 350.800 3.567 20 30 FHEDRO CC(C)C[NH+]1CCN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC1 ZINC001164654319 719334021 /nfs/dbraw/zinc/33/40/21/719334021.db2.gz NJMJQEIBCKXMME-UHFFFAOYSA-N 1 0 373.863 3.586 20 30 FHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(CC#N)ccn2)CC3)cs1 ZINC001164694020 719811463 /nfs/dbraw/zinc/81/14/63/719811463.db2.gz ZRGPCSXYEHBBNT-UHFFFAOYSA-N 1 0 367.522 3.548 20 30 FHEDRO Cc1cc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1C#N ZINC001164853958 720927794 /nfs/dbraw/zinc/92/77/94/720927794.db2.gz CSKXUEJHFRAWSF-AWEZNQCLSA-N 1 0 372.904 3.533 20 30 FHEDRO Cc1ccc2nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c(C#N)c(Cl)c2c1 ZINC001164775508 721304127 /nfs/dbraw/zinc/30/41/27/721304127.db2.gz YERGPUPJDIGQDK-UHFFFAOYSA-N 1 0 366.896 3.990 20 30 FHEDRO C=CC[NH+]1CCN(c2nc(-c3ccc(C)s3)nc3ccccc32)CC1 ZINC001165032438 721871262 /nfs/dbraw/zinc/87/12/62/721871262.db2.gz SECYHYVNCIZESV-UHFFFAOYSA-N 1 0 350.491 3.975 20 30 FHEDRO CN(CC1CC[NH+](C)CC1)c1cnc(Cl)nc1Oc1ccc(C#N)cc1 ZINC001165044655 721939069 /nfs/dbraw/zinc/93/90/69/721939069.db2.gz QQWPHDSONLJFBV-UHFFFAOYSA-N 1 0 371.872 3.572 20 30 FHEDRO N#Cc1cc(C(F)(F)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc(Cl)n1 ZINC001165048879 721969842 /nfs/dbraw/zinc/96/98/42/721969842.db2.gz PBMXFGDKTHEOIW-MRXNPFEDSA-N 1 0 368.859 3.996 20 30 FHEDRO N#CCCC1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000582961302 936321439 /nfs/dbraw/zinc/32/14/39/936321439.db2.gz XXKMQUPNBMSYID-UHFFFAOYSA-N 1 0 360.546 3.901 20 30 FHEDRO C=CCOCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000079296316 936384523 /nfs/dbraw/zinc/38/45/23/936384523.db2.gz HJJASYCPTOZKSV-QGZVFWFLSA-N 1 0 350.528 3.620 20 30 FHEDRO CSc1nnc(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)n1CC(C)C ZINC000583054781 937083225 /nfs/dbraw/zinc/08/32/25/937083225.db2.gz XYKPRHCPQVFTIM-SFHVURJKSA-N 1 0 369.538 3.737 20 30 FHEDRO CSc1ccccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000548786418 937086534 /nfs/dbraw/zinc/08/65/34/937086534.db2.gz NEHDYPZPOYFUOI-WBVHZDCISA-N 1 0 356.491 3.565 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000160179645 927095600 /nfs/dbraw/zinc/09/56/00/927095600.db2.gz FIIWNDKGGRIQHA-UWJYYQICSA-N 1 0 366.461 3.864 20 30 FHEDRO C=CCn1c(SCC[C@@H]2CCC[N@@H+]2C)nnc1-c1ccccc1OC ZINC000153931739 937141758 /nfs/dbraw/zinc/14/17/58/937141758.db2.gz SYYMLTVCYARRSI-HNNXBMFYSA-N 1 0 358.511 3.716 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091885711 937152334 /nfs/dbraw/zinc/15/23/34/937152334.db2.gz PQFPBIJUWDYULO-KRWDZBQOSA-N 1 0 362.489 3.620 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647959916 927365571 /nfs/dbraw/zinc/36/55/71/927365571.db2.gz UXKFRQSLEMLTNC-IBGZPJMESA-N 1 0 358.526 3.968 20 30 FHEDRO N#CCC[C@@H](C#N)CNCc1cc(Br)ccc1OC(F)F ZINC000548788351 937158838 /nfs/dbraw/zinc/15/88/38/937158838.db2.gz NJUMEWVVYCRZHZ-JTQLQIEISA-N 1 0 358.186 3.584 20 30 FHEDRO C=CCC1(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CCCCC1 ZINC000458398522 937161705 /nfs/dbraw/zinc/16/17/05/937161705.db2.gz FIOFYOVJMDEHQF-RBUKOAKNSA-N 1 0 365.562 3.702 20 30 FHEDRO CC(C)COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430162465 927464770 /nfs/dbraw/zinc/46/47/70/927464770.db2.gz MEBNPQBMIMYUIK-FQEVSTJZSA-N 1 0 351.450 3.641 20 30 FHEDRO N#Cc1ccsc1N1CC[C@@H](N2CCC(c3ccsc3)CC2)C1=O ZINC000186958138 927613130 /nfs/dbraw/zinc/61/31/30/927613130.db2.gz GNONWMCSNCYURV-MRXNPFEDSA-N 1 0 357.504 3.666 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2(CC#N)CC2)cc1 ZINC000430186904 927670626 /nfs/dbraw/zinc/67/06/26/927670626.db2.gz OXUWLDBWJVXTOF-KRWDZBQOSA-N 1 0 354.498 3.554 20 30 FHEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000187694449 927919500 /nfs/dbraw/zinc/91/95/00/927919500.db2.gz KWEMGRPRIIFEAB-QGZVFWFLSA-N 1 0 350.528 3.966 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCCCSc2nccs2)cc1Cl ZINC000304752143 928004374 /nfs/dbraw/zinc/00/43/74/928004374.db2.gz JWWMGYJESILRDG-UHFFFAOYSA-N 1 0 356.904 3.714 20 30 FHEDRO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000510090161 928095879 /nfs/dbraw/zinc/09/58/79/928095879.db2.gz XQPUMTGSFIAMDD-QHCPKHFHSA-N 1 0 361.489 3.618 20 30 FHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000610216105 928170654 /nfs/dbraw/zinc/17/06/54/928170654.db2.gz LNOSCDVJGHDAHK-WSTZPKSXSA-N 1 0 353.510 3.843 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1C#N ZINC000157632832 928351875 /nfs/dbraw/zinc/35/18/75/928351875.db2.gz ZSTIIIRGQNVMPX-SFHVURJKSA-N 1 0 358.486 3.684 20 30 FHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000052207826 937267693 /nfs/dbraw/zinc/26/76/93/937267693.db2.gz UUIRBPMPBYJZAJ-YLJYHZDGSA-N 1 0 357.498 3.620 20 30 FHEDRO N#CC1(CCC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CCOCC1 ZINC000375598435 928900313 /nfs/dbraw/zinc/90/03/13/928900313.db2.gz PSBHQNQTAGOHID-UHFFFAOYSA-N 1 0 352.482 3.843 20 30 FHEDRO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(C#N)cc1 ZINC001208926316 929016058 /nfs/dbraw/zinc/01/60/58/929016058.db2.gz OJUHRLKKIJIDDZ-YQQQUEKLSA-N 1 0 355.482 3.621 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1scnc1C(F)(F)F)C(C)C ZINC000583272731 937302959 /nfs/dbraw/zinc/30/29/59/937302959.db2.gz UKZJZAPPFGLAPA-GFCCVEGCSA-N 1 0 361.433 3.590 20 30 FHEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134781322 929237935 /nfs/dbraw/zinc/23/79/35/929237935.db2.gz DJOPTFIXKAMCNN-PMACEKPBSA-N 1 0 354.425 3.664 20 30 FHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000075926275 929308672 /nfs/dbraw/zinc/30/86/72/929308672.db2.gz DEICDPDDSJDGFN-QGZVFWFLSA-N 1 0 367.415 3.571 20 30 FHEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000075843152 929311880 /nfs/dbraw/zinc/31/18/80/929311880.db2.gz MHFUWOVQUALNEP-BUVFEPMLSA-N 1 0 368.452 3.715 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430294450 929356753 /nfs/dbraw/zinc/35/67/53/929356753.db2.gz OOGYHMDKWCGPML-UHFFFAOYSA-N 1 0 361.489 3.861 20 30 FHEDRO CN(C(=O)[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000430297412 929402748 /nfs/dbraw/zinc/40/27/48/929402748.db2.gz VFJPQEBXECOEBZ-SFHVURJKSA-N 1 0 352.865 3.676 20 30 FHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000583304097 937336532 /nfs/dbraw/zinc/33/65/32/937336532.db2.gz FUESHXWTHCJIDV-KGLIPLIRSA-N 1 0 362.779 3.621 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC000610298354 929735507 /nfs/dbraw/zinc/73/55/07/929735507.db2.gz VHIIWKBXUWMHNK-HXUWFJFHSA-N 1 0 372.472 3.511 20 30 FHEDRO COc1ccc(F)cc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000578946497 929747339 /nfs/dbraw/zinc/74/73/39/929747339.db2.gz QNMWLCHFRRTXPG-UHFFFAOYSA-N 1 0 355.413 3.581 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)cc1 ZINC000187304250 929765805 /nfs/dbraw/zinc/76/58/05/929765805.db2.gz KDJAOPXGSXMLFL-GOSISDBHSA-N 1 0 365.502 3.605 20 30 FHEDRO C=CCc1cc(C[NH2+]C[C@H](CO)c2ccccc2Cl)cc(OC)c1O ZINC000583344581 937366971 /nfs/dbraw/zinc/36/69/71/937366971.db2.gz SUUUJUAKVLXKRT-MRXNPFEDSA-N 1 0 361.869 3.648 20 30 FHEDRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000610335107 930007492 /nfs/dbraw/zinc/00/74/92/930007492.db2.gz UQNUTZXEBCTVDW-MRXNPFEDSA-N 1 0 368.412 3.705 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610346001 930046716 /nfs/dbraw/zinc/04/67/16/930046716.db2.gz HDOJYDCRWINMQL-CVEARBPZSA-N 1 0 364.449 3.563 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348816 930062424 /nfs/dbraw/zinc/06/24/24/930062424.db2.gz LETAOXLHCYJTCI-DYESRHJHSA-N 1 0 362.477 3.583 20 30 FHEDRO C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000610356381 930109121 /nfs/dbraw/zinc/10/91/21/930109121.db2.gz QNYBMCXJQHACKJ-DYESRHJHSA-N 1 0 362.477 3.756 20 30 FHEDRO N#Cc1csc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c1 ZINC000177693696 930158948 /nfs/dbraw/zinc/15/89/48/930158948.db2.gz ZAZYSHYFKCEWFJ-UHFFFAOYSA-N 1 0 364.268 3.501 20 30 FHEDRO CCC[C@@H]([NH2+]Cc1cc(C#N)cs1)C(=O)N1CCc2sccc2C1 ZINC000177694888 930162705 /nfs/dbraw/zinc/16/27/05/930162705.db2.gz CKYXGRSSVXDSDX-MRXNPFEDSA-N 1 0 359.520 3.524 20 30 FHEDRO C[N@H+](CCC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CCCCC1 ZINC000548064640 930267917 /nfs/dbraw/zinc/26/79/17/930267917.db2.gz QVEQOYLPQRASMC-SFTDATJTSA-N 1 0 353.510 3.939 20 30 FHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000580144970 930301618 /nfs/dbraw/zinc/30/16/18/930301618.db2.gz SXXSBEKKMJDQFP-UHFFFAOYSA-N 1 0 354.479 3.767 20 30 FHEDRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000583404636 937412961 /nfs/dbraw/zinc/41/29/61/937412961.db2.gz DOZRXJWUDIZDNO-OAQYLSRUSA-N 1 0 357.856 3.758 20 30 FHEDRO Fc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC000580255301 930411386 /nfs/dbraw/zinc/41/13/86/930411386.db2.gz GMSBMSUZOOPBGS-UHFFFAOYSA-N 1 0 358.301 3.961 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000580423155 930669206 /nfs/dbraw/zinc/66/92/06/930669206.db2.gz HFRXTPOGCVIYEH-RXVVDRJESA-N 1 0 370.880 3.756 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(C#N)s3)C2)c1 ZINC000135057589 930748710 /nfs/dbraw/zinc/74/87/10/930748710.db2.gz FGVMSFGFWHTHKD-KGLIPLIRSA-N 1 0 357.479 3.566 20 30 FHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000580495623 930751241 /nfs/dbraw/zinc/75/12/41/930751241.db2.gz DKSZEHPKNPNSPV-MRXNPFEDSA-N 1 0 367.468 3.612 20 30 FHEDRO CC(C)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000537015507 930760119 /nfs/dbraw/zinc/76/01/19/930760119.db2.gz BTALMHWEAOFHLQ-LJQANCHMSA-N 1 0 351.406 3.771 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000580548851 930839665 /nfs/dbraw/zinc/83/96/65/930839665.db2.gz OHUQVIQNBRESNH-DOTOQJQBSA-N 1 0 370.522 3.968 20 30 FHEDRO CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944086 930989762 /nfs/dbraw/zinc/98/97/62/930989762.db2.gz QGZVCLLJJLTGHW-DTORHVGOSA-N 1 0 355.269 3.516 20 30 FHEDRO N#Cc1c(NC2CC[NH+](CC3CCCC3)CC2)nc2cc(Cl)ccn21 ZINC000561159286 930992076 /nfs/dbraw/zinc/99/20/76/930992076.db2.gz PFIDOXVWRNLEAC-UHFFFAOYSA-N 1 0 357.889 3.926 20 30 FHEDRO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCOC(C)(C)C1 ZINC000580678752 931005377 /nfs/dbraw/zinc/00/53/77/931005377.db2.gz ORGZGOSHUSBKIU-IBGZPJMESA-N 1 0 371.525 3.830 20 30 FHEDRO CN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000175839091 931089723 /nfs/dbraw/zinc/08/97/23/931089723.db2.gz NDEHTQWQCAXSEV-GOSISDBHSA-N 1 0 365.502 3.876 20 30 FHEDRO C=CCCCC[NH2+][C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000471617604 931121909 /nfs/dbraw/zinc/12/19/09/931121909.db2.gz IWJOQZWJLIFRPE-LJQANCHMSA-N 1 0 363.933 3.524 20 30 FHEDRO C=CCn1c(SCC[C@H]2CCC[N@@H+]2C)nnc1-c1cccc(OC)c1 ZINC000126869491 931247154 /nfs/dbraw/zinc/24/71/54/931247154.db2.gz RGPQEJIXBUGIKH-MRXNPFEDSA-N 1 0 358.511 3.716 20 30 FHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1ccc(C#N)cc1 ZINC000084070010 931265878 /nfs/dbraw/zinc/26/58/78/931265878.db2.gz ICAOIWBUNGWVQK-UHFFFAOYSA-N 1 0 356.392 3.686 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1C#N ZINC000580989773 931449591 /nfs/dbraw/zinc/44/95/91/931449591.db2.gz DMUJOZDKDMRQNU-UHFFFAOYSA-N 1 0 358.486 3.684 20 30 FHEDRO N#Cc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000048220845 931455767 /nfs/dbraw/zinc/45/57/67/931455767.db2.gz GKZHWUHVFSJABN-UHFFFAOYSA-N 1 0 362.477 3.544 20 30 FHEDRO C[C@@H]1C[C@@H](c2ccccc2F)N(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156796054 931526887 /nfs/dbraw/zinc/52/68/87/931526887.db2.gz VOPXJJFQVCZPIJ-QRWLVFNGSA-N 1 0 372.465 3.554 20 30 FHEDRO C=CCn1ncc2ccc(NC(=O)N3CCC(C)([NH+]4CCCC4)CC3)cc21 ZINC000933086825 931563285 /nfs/dbraw/zinc/56/32/85/931563285.db2.gz CPSBCHFECKIIHG-UHFFFAOYSA-N 1 0 367.497 3.705 20 30 FHEDRO N#Cc1cc(F)c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(F)c1 ZINC000126195018 931608153 /nfs/dbraw/zinc/60/81/53/931608153.db2.gz FAQVWLRVFCVJGV-UHFFFAOYSA-N 1 0 355.388 3.727 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1(c2ccccc2F)CC1)C(C)C ZINC000581217771 931691472 /nfs/dbraw/zinc/69/14/72/931691472.db2.gz NWZWWGFBPZDUBW-IBGZPJMESA-N 1 0 359.489 3.813 20 30 FHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000156074379 931723446 /nfs/dbraw/zinc/72/34/46/931723446.db2.gz VUFYGDIRMQLXEW-PMACEKPBSA-N 1 0 374.444 3.869 20 30 FHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000581292505 931790523 /nfs/dbraw/zinc/79/05/23/931790523.db2.gz UPJRARMOMZFULS-UHFFFAOYSA-N 1 0 368.529 3.535 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000126416369 931812578 /nfs/dbraw/zinc/81/25/78/931812578.db2.gz NHSYYLKBICYNKL-SJORKVTESA-N 1 0 362.477 3.836 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+]C3(c4ccc(F)cc4F)CCCCC3)cnc12 ZINC000581369989 931906704 /nfs/dbraw/zinc/90/67/04/931906704.db2.gz DUTQSWIVZKOYCM-UHFFFAOYSA-N 1 0 367.403 3.828 20 30 FHEDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000276266917 932138105 /nfs/dbraw/zinc/13/81/05/932138105.db2.gz GOKLAUPDUBZXJD-UHFFFAOYSA-N 1 0 364.493 3.914 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3nccc(C#N)c3Cl)cc2)C1 ZINC000581540257 932226445 /nfs/dbraw/zinc/22/64/45/932226445.db2.gz RVHXYQZFURDBJP-HNNXBMFYSA-N 1 0 354.885 3.873 20 30 FHEDRO CC[N@H+](CCCC(C)(C)C#N)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000471698681 932642524 /nfs/dbraw/zinc/64/25/24/932642524.db2.gz WXJKPXHFLHZIFZ-UHFFFAOYSA-N 1 0 372.469 3.504 20 30 FHEDRO C=CCc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc(OC)c1OC ZINC000023899526 932731898 /nfs/dbraw/zinc/73/18/98/932731898.db2.gz NIVFAUYJEAPTNG-UHFFFAOYSA-N 1 0 354.450 3.746 20 30 FHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1 ZINC000178202429 932872296 /nfs/dbraw/zinc/87/22/96/932872296.db2.gz RIIQNUIKQMYFIP-MRXNPFEDSA-N 1 0 350.890 3.871 20 30 FHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1cc(C#N)cs1 ZINC000891641123 932906522 /nfs/dbraw/zinc/90/65/22/932906522.db2.gz XPVHXRZBWKNTRO-UHFFFAOYSA-N 1 0 370.522 3.803 20 30 FHEDRO CCc1oc2ccccc2c1C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000610556504 932957131 /nfs/dbraw/zinc/95/71/31/932957131.db2.gz JNDIWVAFVFGDIO-KRWDZBQOSA-N 1 0 364.445 3.739 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000187528276 932983997 /nfs/dbraw/zinc/98/39/97/932983997.db2.gz BZHCYJBAHNAQDS-OAQYLSRUSA-N 1 0 361.489 3.789 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCCCOC)c2ccccc2)CC1 ZINC000471811073 932993225 /nfs/dbraw/zinc/99/32/25/932993225.db2.gz MZVBCHUBCLKLAO-NRFANRHFSA-N 1 0 373.541 3.884 20 30 FHEDRO COc1cccc(/C=N\C2CCN(c3ccc(N(C)C)cc3)CC2)c1O ZINC000255394134 933110985 /nfs/dbraw/zinc/11/09/85/933110985.db2.gz HDDAAGOQVMMNMT-JCMHNJIXSA-N 1 0 353.466 3.555 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC(CCC#N)CC1)C1CC1 ZINC000569356175 933143265 /nfs/dbraw/zinc/14/32/65/933143265.db2.gz OTKRXWUUGYWSFD-OAQYLSRUSA-N 1 0 368.525 3.622 20 30 FHEDRO C[N@H+](CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C1CCCCC1 ZINC000328913051 933173175 /nfs/dbraw/zinc/17/31/75/933173175.db2.gz PHSPJPMCWQQWJK-IBGZPJMESA-N 1 0 357.498 3.512 20 30 FHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1)[NH+](C)C ZINC000510546053 933198397 /nfs/dbraw/zinc/19/83/97/933198397.db2.gz MPDJMLJUXGQQJJ-DYESRHJHSA-N 1 0 361.489 3.706 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CN1C(=O)CN([C@@H](C)c2ccccc2)C1=O)C(C)C ZINC000430906902 933389996 /nfs/dbraw/zinc/38/99/96/933389996.db2.gz OUQHWEOLVFTGJC-AZUAARDMSA-N 1 0 369.509 3.710 20 30 FHEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000328962023 933450834 /nfs/dbraw/zinc/45/08/34/933450834.db2.gz KXULUEOWOINHST-MXEMCNAFSA-N 1 0 372.509 3.536 20 30 FHEDRO N#Cc1ccc([C@H]([NH2+]CC2(Cc3ccccc3)CCCCC2)C(N)=O)cc1 ZINC000471882672 933452185 /nfs/dbraw/zinc/45/21/85/933452185.db2.gz XCGMVVDLFLYDFK-NRFANRHFSA-N 1 0 361.489 3.867 20 30 FHEDRO C=CCc1cc(C[N@@H+](C)Cc2ccc(C(=O)OC)cc2)cc(OC)c1O ZINC000091829506 933678173 /nfs/dbraw/zinc/67/81/73/933678173.db2.gz RPHCDKPDJZXIOR-UHFFFAOYSA-N 1 0 355.434 3.548 20 30 FHEDRO COC(=O)c1ccc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000091829497 933678352 /nfs/dbraw/zinc/67/83/52/933678352.db2.gz IBKNNXZUTFWBID-UHFFFAOYSA-N 1 0 352.434 3.788 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000610663525 933689853 /nfs/dbraw/zinc/68/98/53/933689853.db2.gz WYUWRTRSMFGDHI-UHFFFAOYSA-N 1 0 359.861 3.587 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000187663578 934031213 /nfs/dbraw/zinc/03/12/13/934031213.db2.gz MKMFLUMBIARSKE-INIZCTEOSA-N 1 0 367.518 3.752 20 30 FHEDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000891918233 934033724 /nfs/dbraw/zinc/03/37/24/934033724.db2.gz UZFCNIDJVQBJGK-RXVVDRJESA-N 1 0 356.514 3.828 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176091461 934052545 /nfs/dbraw/zinc/05/25/45/934052545.db2.gz FUBOIJRBPXATPH-INIZCTEOSA-N 1 0 366.440 3.826 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(O[C@@H](C)C(=O)OC)cc1)Cc1cccc(C#N)c1 ZINC000092504596 934065743 /nfs/dbraw/zinc/06/57/43/934065743.db2.gz BJJWDASISDRJBP-KRWDZBQOSA-N 1 0 364.445 3.687 20 30 FHEDRO CN(CCC#N)C(=O)CC[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000092805959 934065923 /nfs/dbraw/zinc/06/59/23/934065923.db2.gz CXBODNCJJLCGMN-UHFFFAOYSA-N 1 0 365.399 3.557 20 30 FHEDRO COc1cc(OC)cc(OCCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000561768579 934109632 /nfs/dbraw/zinc/10/96/32/934109632.db2.gz UEWCWMDHXXXWTJ-CQSZACIVSA-N 1 0 358.413 3.834 20 30 FHEDRO C=C(C)COc1cc(C[N@H+]2CCC[C@H](CNC(=O)CCC)C2)ccc1OC ZINC000092708055 934141845 /nfs/dbraw/zinc/14/18/45/934141845.db2.gz CFFFFMCQOHLMRY-LJQANCHMSA-N 1 0 374.525 3.778 20 30 FHEDRO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610774854 934158455 /nfs/dbraw/zinc/15/84/55/934158455.db2.gz YCZUIJYRONVLMM-UWJYYQICSA-N 1 0 362.477 3.535 20 30 FHEDRO CC1CC(C#N)(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535696223 934290613 /nfs/dbraw/zinc/29/06/13/934290613.db2.gz MVJUBUQDTIXRKH-CPKBLRQJSA-N 1 0 363.864 3.528 20 30 FHEDRO C[N@H+](CCNC(=O)N[C@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000458133868 934324743 /nfs/dbraw/zinc/32/47/43/934324743.db2.gz UNWILLXCSQGVAP-HXUWFJFHSA-N 1 0 356.514 3.985 20 30 FHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NCC(C)(C)CC#N)c2)CC1 ZINC000458245070 934420679 /nfs/dbraw/zinc/42/06/79/934420679.db2.gz FFEDNJOLJUPFDV-UHFFFAOYSA-N 1 0 356.514 3.658 20 30 FHEDRO N#CCN1CCC([NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000610813403 934481259 /nfs/dbraw/zinc/48/12/59/934481259.db2.gz GDFDTUVUMYXQFL-KRWDZBQOSA-N 1 0 370.497 3.904 20 30 FHEDRO CCCOc1ccc([C@@H](C)[NH2+]C2CCN(CC#N)CC2)c(OCCC)c1 ZINC000610814038 934495767 /nfs/dbraw/zinc/49/57/67/934495767.db2.gz ZOJBYXRFKYZPEE-QGZVFWFLSA-N 1 0 359.514 3.903 20 30 FHEDRO CCCOc1ccc([C@H](C)[NH2+]C2CCN(CC#N)CC2)c(OCCC)c1 ZINC000610814037 934496165 /nfs/dbraw/zinc/49/61/65/934496165.db2.gz ZOJBYXRFKYZPEE-KRWDZBQOSA-N 1 0 359.514 3.903 20 30 FHEDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000610830435 934502509 /nfs/dbraw/zinc/50/25/09/934502509.db2.gz STWMUEQTQRCBCG-LSDHHAIUSA-N 1 0 357.479 3.732 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458299137 934611660 /nfs/dbraw/zinc/61/16/60/934611660.db2.gz AWDXXOMXWPTEOM-AZUAARDMSA-N 1 0 356.514 3.841 20 30 FHEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccn1 ZINC000610995011 934739240 /nfs/dbraw/zinc/73/92/40/934739240.db2.gz UGKDXCGXWDMKOB-UHFFFAOYSA-N 1 0 372.831 3.596 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)N(C)CC(C)(C)C#N)CCCC1)c1ccccc1 ZINC000458362048 934780279 /nfs/dbraw/zinc/78/02/79/934780279.db2.gz BJRHORZLEDESIV-KRWDZBQOSA-N 1 0 356.514 3.841 20 30 FHEDRO C=C(C)[C@H](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)OCC ZINC000535910099 934781822 /nfs/dbraw/zinc/78/18/22/934781822.db2.gz MLCHNTBCRPZOMY-SFTDATJTSA-N 1 0 374.525 3.710 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000611559847 934827259 /nfs/dbraw/zinc/82/72/59/934827259.db2.gz AWACIKSAXQOQJS-VXKWHMMOSA-N 1 0 370.456 3.593 20 30 FHEDRO Cc1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)ccc1-n1cncn1 ZINC000538824472 934917765 /nfs/dbraw/zinc/91/77/65/934917765.db2.gz LBIOGEYXCGFNCQ-UHFFFAOYSA-N 1 0 355.445 3.737 20 30 FHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(C3CCCCC3)c2)c1C#N ZINC000892071968 934931040 /nfs/dbraw/zinc/93/10/40/934931040.db2.gz YRJPDOGCZNADOW-UHFFFAOYSA-N 1 0 371.510 3.795 20 30 FHEDRO N#Cc1cc(Br)cnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000380943393 935016164 /nfs/dbraw/zinc/01/61/64/935016164.db2.gz NOHIGJMSUXQCJW-UHFFFAOYSA-N 1 0 371.282 3.792 20 30 FHEDRO COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)O[C@H](C)C2 ZINC000105487530 935089345 /nfs/dbraw/zinc/08/93/45/935089345.db2.gz ZGUWXLXZMCJITJ-CABCVRRESA-N 1 0 352.434 3.772 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000548639843 935097659 /nfs/dbraw/zinc/09/76/59/935097659.db2.gz UHUQQTVARHAMKC-RDTXWAMCSA-N 1 0 353.853 3.604 20 30 FHEDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000539252718 935102284 /nfs/dbraw/zinc/10/22/84/935102284.db2.gz HSSOUEJURBYZKX-OAHLLOKOSA-N 1 0 367.449 3.645 20 30 FHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)Cc2cccnc2)ccc1Cl ZINC000934234612 935112350 /nfs/dbraw/zinc/11/23/50/935112350.db2.gz NNCOUYRIEMLTNE-INIZCTEOSA-N 1 0 370.884 3.511 20 30 FHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c(-c2ccccc2)n1 ZINC000277447589 935189900 /nfs/dbraw/zinc/18/99/00/935189900.db2.gz FXZPSDOMIXEXFM-NRFANRHFSA-N 1 0 363.509 3.570 20 30 FHEDRO Cc1ccccc1C1CC([N@H+](C[C@H]2CNc3c(C#N)cnn3C2)C2CC2)C1 ZINC000582063494 935196559 /nfs/dbraw/zinc/19/65/59/935196559.db2.gz PBKXGFDEYJXFNT-ZRZPHAQCSA-N 1 0 361.493 3.516 20 30 FHEDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000519064341 945087098 /nfs/dbraw/zinc/08/70/98/945087098.db2.gz WYMDGWGZCIIVID-KRWDZBQOSA-N 1 0 365.477 3.597 20 30 FHEDRO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(C#N)cc1F ZINC000551393463 935269184 /nfs/dbraw/zinc/26/91/84/935269184.db2.gz ICXFLMBJAPDGNX-PXNSSMCTSA-N 1 0 367.468 3.639 20 30 FHEDRO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)C1=O ZINC000511075564 935279485 /nfs/dbraw/zinc/27/94/85/935279485.db2.gz ROHQCFPUBRSPPC-QGZVFWFLSA-N 1 0 352.400 3.704 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000684767610 935315718 /nfs/dbraw/zinc/31/57/18/935315718.db2.gz NBRXCBNSOQKNAI-KKSFZXQISA-N 1 0 351.450 3.904 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000684767608 935315960 /nfs/dbraw/zinc/31/59/60/935315960.db2.gz NBRXCBNSOQKNAI-IERDGZPVSA-N 1 0 351.450 3.904 20 30 FHEDRO C[NH+](C)CCN(Cc1ccsc1)c1nc(C(F)(F)F)ccc1C#N ZINC000413450274 935323772 /nfs/dbraw/zinc/32/37/72/935323772.db2.gz JPCLAKJWRCBTDI-UHFFFAOYSA-N 1 0 354.401 3.602 20 30 FHEDRO N#Cc1cccc(C2([NH2+]Cc3cccc(C(=O)NCc4ccco4)c3)CC2)c1 ZINC000551713203 935332961 /nfs/dbraw/zinc/33/29/61/935332961.db2.gz QVMREIQSKUWEQI-UHFFFAOYSA-N 1 0 371.440 3.860 20 30 FHEDRO COc1ccccc1N1CC[C@H](C)[N@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000375676169 935367467 /nfs/dbraw/zinc/36/74/67/935367467.db2.gz NWUMHUVGTQJPHW-IBGZPJMESA-N 1 0 371.525 3.696 20 30 FHEDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000551943110 935381944 /nfs/dbraw/zinc/38/19/44/935381944.db2.gz PWTRWAJEARUQKL-XUJVJEKNSA-N 1 0 363.552 3.557 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCC(C)(C)C#N ZINC000427112285 945097486 /nfs/dbraw/zinc/09/74/86/945097486.db2.gz BCPFUAKEMKMSTB-UHFFFAOYSA-N 1 0 361.559 3.915 20 30 FHEDRO C=CCC[C@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)c1ccco1 ZINC000582197220 935394678 /nfs/dbraw/zinc/39/46/78/935394678.db2.gz UYTKMMFUFQPXCZ-INIZCTEOSA-N 1 0 359.470 3.521 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000178544973 935396503 /nfs/dbraw/zinc/39/65/03/935396503.db2.gz SLURBLSXTQCXIJ-LJQANCHMSA-N 1 0 362.477 3.553 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000582208248 935399040 /nfs/dbraw/zinc/39/90/40/935399040.db2.gz NIFJZQLJZBUVTH-ZBFHGGJFSA-N 1 0 373.522 3.597 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCOc1ccc(Br)cc1)CC2 ZINC000582211124 935405349 /nfs/dbraw/zinc/40/53/49/935405349.db2.gz XENCLEFMVFQEKW-SFHVURJKSA-N 1 0 357.251 3.977 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3c4ccccc4C[C@@H]3O)c2)c1 ZINC000085334701 935448000 /nfs/dbraw/zinc/44/80/00/935448000.db2.gz BOJUCRQKYUOHDV-ZEQRLZLVSA-N 1 0 370.452 3.885 20 30 FHEDRO COc1ccc(C[NH2+][C@H](C)Cc2cccc(O)c2)cc1OCCCC#N ZINC000582257835 935454432 /nfs/dbraw/zinc/45/44/32/935454432.db2.gz QAFWLIRMSKQXTR-MRXNPFEDSA-N 1 0 354.450 3.804 20 30 FHEDRO C[N@H+](CCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000548719579 935479164 /nfs/dbraw/zinc/47/91/64/935479164.db2.gz OPFMPLVWWKXCST-UHFFFAOYSA-N 1 0 351.494 3.829 20 30 FHEDRO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ccc(C#N)c(F)c1 ZINC000540706441 935540492 /nfs/dbraw/zinc/54/04/92/935540492.db2.gz JKFYDMYGZBCHEF-NSHDSACASA-N 1 0 353.319 3.841 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ccc(C#N)c(F)c1 ZINC000540708018 935541546 /nfs/dbraw/zinc/54/15/46/935541546.db2.gz LZNVJSZPKSYSGX-NSHDSACASA-N 1 0 353.319 3.884 20 30 FHEDRO N#CCc1ccsc1C(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC000892260735 935686377 /nfs/dbraw/zinc/68/63/77/935686377.db2.gz CIFONTLYIWYOQQ-OALUTQOASA-N 1 0 365.502 3.696 20 30 FHEDRO N#CCCn1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)c(-c2ccccc2)n1 ZINC000611609594 935733316 /nfs/dbraw/zinc/73/33/16/935733316.db2.gz RGUKPNCXZCGAOI-KRWDZBQOSA-N 1 0 360.408 3.667 20 30 FHEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511135091 935758384 /nfs/dbraw/zinc/75/83/84/935758384.db2.gz DCAONUJXGVDBJZ-UHFFFAOYSA-N 1 0 369.534 3.850 20 30 FHEDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)[NH+]1CCCC1 ZINC000023708952 935790054 /nfs/dbraw/zinc/79/00/54/935790054.db2.gz SNIGEWRMSWDOJX-IBGZPJMESA-N 1 0 366.421 3.724 20 30 FHEDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113342117 935816770 /nfs/dbraw/zinc/81/67/70/935816770.db2.gz MWCZXCNJTUHEOM-NRFANRHFSA-N 1 0 360.461 3.595 20 30 FHEDRO CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472232633 935845168 /nfs/dbraw/zinc/84/51/68/935845168.db2.gz NMXBFEJFVINSBE-KRWDZBQOSA-N 1 0 368.481 3.821 20 30 FHEDRO CCOCCOCc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000562085463 935854740 /nfs/dbraw/zinc/85/47/40/935854740.db2.gz SDOTWKFJYWGRRJ-JOCHJYFZSA-N 1 0 350.462 3.888 20 30 FHEDRO CCOCCOCc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000562085472 935858138 /nfs/dbraw/zinc/85/81/38/935858138.db2.gz SDOTWKFJYWGRRJ-QFIPXVFZSA-N 1 0 350.462 3.888 20 30 FHEDRO CC1CC[NH+](CCNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000479892986 935912338 /nfs/dbraw/zinc/91/23/38/935912338.db2.gz PFAKBCPKNISZCN-UHFFFAOYSA-N 1 0 363.461 3.812 20 30 FHEDRO CC[NH+](CC)CCCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000480077421 935959397 /nfs/dbraw/zinc/95/93/97/935959397.db2.gz KHFFXBWZORSCKT-UHFFFAOYSA-N 1 0 351.450 3.812 20 30 FHEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000582714394 935978124 /nfs/dbraw/zinc/97/81/24/935978124.db2.gz KKSCTTIAUIUDOR-KDOFPFPSSA-N 1 0 366.490 3.829 20 30 FHEDRO C[C@@H]1CCC[C@](CNC(=O)N[C@@H](CCC#N)c2ccccc2)([NH+](C)C)C1 ZINC000438855925 945143305 /nfs/dbraw/zinc/14/33/05/945143305.db2.gz KHOMURUTSFKMAJ-LMNJBCLMSA-N 1 0 356.514 3.841 20 30 FHEDRO Cc1nnc(NCc2ccccc2C[N@H+](C)Cc2ccco2)c(C#N)c1C ZINC000078335912 936111557 /nfs/dbraw/zinc/11/15/57/936111557.db2.gz CBSLNODDZOWLDJ-UHFFFAOYSA-N 1 0 361.449 3.802 20 30 FHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000439977187 945141770 /nfs/dbraw/zinc/14/17/70/945141770.db2.gz FWWDKGUKURYDRM-UHFFFAOYSA-N 1 0 353.510 3.725 20 30 FHEDRO C[C@@H]1[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000582805937 936141797 /nfs/dbraw/zinc/14/17/97/936141797.db2.gz UYBAWTNYIVRORO-DYESRHJHSA-N 1 0 359.473 3.635 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000119840345 936157481 /nfs/dbraw/zinc/15/74/81/936157481.db2.gz CLBOWGDBRBZKJZ-QGZVFWFLSA-N 1 0 354.498 3.827 20 30 FHEDRO COc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1OCCCC#N ZINC000092785831 936184042 /nfs/dbraw/zinc/18/40/42/936184042.db2.gz COYSEPONVFIESL-FQEVSTJZSA-N 1 0 371.525 3.828 20 30 FHEDRO CC(C)(C)OC(=O)C1(Nc2ncc3ccccc3c2C#N)CCC([NH3+])CC1 ZINC001167638336 936295579 /nfs/dbraw/zinc/29/55/79/936295579.db2.gz OBCSHRFVENHLAK-UHFFFAOYSA-N 1 0 366.465 3.500 20 30 FHEDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cnn1-c1ccccc1F ZINC000329165878 938276556 /nfs/dbraw/zinc/27/65/56/938276556.db2.gz HQOZSCGYRZZSQZ-OAHLLOKOSA-N 1 0 356.445 3.641 20 30 FHEDRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cnn1-c1cccc(C)c1 ZINC000329172659 938279290 /nfs/dbraw/zinc/27/92/90/938279290.db2.gz LDVVCZPIDBNNLC-KRWDZBQOSA-N 1 0 352.482 3.811 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cnn(Cc2ccccc2Cl)c1 ZINC000329196594 938286883 /nfs/dbraw/zinc/28/68/83/938286883.db2.gz VXLWANOEHYBRQV-QGZVFWFLSA-N 1 0 372.900 3.906 20 30 FHEDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)nnn1-c1ccccc1Cl ZINC000329204007 938288951 /nfs/dbraw/zinc/28/89/51/938288951.db2.gz YRNGFRXCRRDUCT-CQSZACIVSA-N 1 0 373.888 3.551 20 30 FHEDRO Cc1nc([C@H](C)NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000329272256 938309607 /nfs/dbraw/zinc/30/96/07/938309607.db2.gz AEDLHJAQDUTHBL-IPYPFGDCSA-N 1 0 350.532 3.669 20 30 FHEDRO Cc1[nH]c2ccccc2c1C1=CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329301905 938332826 /nfs/dbraw/zinc/33/28/26/938332826.db2.gz NEFSEUCVTSARRK-QGZVFWFLSA-N 1 0 364.493 3.716 20 30 FHEDRO CC#CCCNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000458642250 938365851 /nfs/dbraw/zinc/36/58/51/938365851.db2.gz AMWYYCMTVGIPFS-NRFANRHFSA-N 1 0 367.537 3.732 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000458660417 938388129 /nfs/dbraw/zinc/38/81/29/938388129.db2.gz FPRGRIBNESPFDS-KUHUBIRLSA-N 1 0 363.452 3.708 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000458660419 938388170 /nfs/dbraw/zinc/38/81/70/938388170.db2.gz FPRGRIBNESPFDS-LIRRHRJNSA-N 1 0 363.452 3.708 20 30 FHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000157771443 938414861 /nfs/dbraw/zinc/41/48/61/938414861.db2.gz FQMHCVWAELVOHA-MRXNPFEDSA-N 1 0 367.497 3.544 20 30 FHEDRO C=CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H](C)COC ZINC000661244804 938436781 /nfs/dbraw/zinc/43/67/81/938436781.db2.gz YJANUQSMVBDSEJ-LLVKDONJSA-N 1 0 364.795 3.820 20 30 FHEDRO N#Cc1cscc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000583862888 938456344 /nfs/dbraw/zinc/45/63/44/938456344.db2.gz XRXRVOSGGGWZPS-UHFFFAOYSA-N 1 0 355.463 3.737 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)C2CCSCC2)CCOCC1)c1ccccc1 ZINC000329560235 938482020 /nfs/dbraw/zinc/48/20/20/938482020.db2.gz REEHLMLRJZFQEF-INIZCTEOSA-N 1 0 362.539 3.986 20 30 FHEDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)[C@H]2C1 ZINC000583986672 938521884 /nfs/dbraw/zinc/52/18/84/938521884.db2.gz DQCICCCCSMTESJ-GTFHVDJJSA-N 1 0 365.521 3.627 20 30 FHEDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278559059 938532407 /nfs/dbraw/zinc/53/24/07/938532407.db2.gz CGHPSPXHJMAWMS-PMACEKPBSA-N 1 0 367.497 3.542 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(NC(=O)c3ccncc3)cc1)CC2 ZINC000584023411 938552838 /nfs/dbraw/zinc/55/28/38/938552838.db2.gz MQDIBKCEAXTYEL-QFIPXVFZSA-N 1 0 368.440 3.983 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(NC(=O)c3ccncc3)cc1)CC2 ZINC000584023410 938552912 /nfs/dbraw/zinc/55/29/12/938552912.db2.gz MQDIBKCEAXTYEL-JOCHJYFZSA-N 1 0 368.440 3.983 20 30 FHEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000329632936 938558591 /nfs/dbraw/zinc/55/85/91/938558591.db2.gz SBQCWDAKRBWZFI-ACRUOGEOSA-N 1 0 374.525 3.776 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000657829879 938614075 /nfs/dbraw/zinc/61/40/75/938614075.db2.gz AXCICCLNGZXYCO-NQIIRXRSSA-N 1 0 355.526 3.814 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000458797724 938662530 /nfs/dbraw/zinc/66/25/30/938662530.db2.gz GPLVCLBPWVYEKA-VQTJNVASSA-N 1 0 354.498 3.691 20 30 FHEDRO CN(c1c(C#N)nnc2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775233 945193960 /nfs/dbraw/zinc/19/39/60/945193960.db2.gz QYNHFFHZFQNRRT-SFHVURJKSA-N 1 0 357.461 3.602 20 30 FHEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000329739191 938665639 /nfs/dbraw/zinc/66/56/39/938665639.db2.gz NGYDRVIQFRDQTP-XSDIEEQYSA-N 1 0 366.509 3.579 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000248642106 938694557 /nfs/dbraw/zinc/69/45/57/938694557.db2.gz ZAPALSCWQUUGDL-UYAOXDASSA-N 1 0 371.477 3.731 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000437272255 945197151 /nfs/dbraw/zinc/19/71/51/945197151.db2.gz XLUAEZLYDFXNFL-QRWLVFNGSA-N 1 0 355.434 3.804 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000080765929 938702431 /nfs/dbraw/zinc/70/24/31/938702431.db2.gz FSRDIYOVZNNIFL-UHFFFAOYSA-N 1 0 360.383 3.684 20 30 FHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000080899296 938707692 /nfs/dbraw/zinc/70/76/92/938707692.db2.gz UKISHIDMKWTXOA-FCHUYYIVSA-N 1 0 359.473 3.939 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000329781357 938779528 /nfs/dbraw/zinc/77/95/28/938779528.db2.gz SPSXWYJSXCPJNE-FPOVZHCZSA-N 1 0 373.541 3.841 20 30 FHEDRO CCOc1ccccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278752680 938798997 /nfs/dbraw/zinc/79/89/97/938798997.db2.gz WLKXDFWBDNLNLK-UHFFFAOYSA-N 1 0 361.449 3.547 20 30 FHEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc(F)cc1 ZINC000278769816 938869151 /nfs/dbraw/zinc/86/91/51/938869151.db2.gz YCXFTKIJRRAKHC-MRXNPFEDSA-N 1 0 363.440 3.891 20 30 FHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)/C=C\c3ccccc3C#N)cc2)CC1 ZINC000255641103 939023047 /nfs/dbraw/zinc/02/30/47/939023047.db2.gz XNYBGPRGSWYKDL-GHXNOFRVSA-N 1 0 374.488 3.741 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)c2cccs2)CC1 ZINC000612091883 939049553 /nfs/dbraw/zinc/04/95/53/939049553.db2.gz YAMKPTWQTZHEAH-PXNSSMCTSA-N 1 0 374.554 3.856 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000612108124 939060071 /nfs/dbraw/zinc/06/00/71/939060071.db2.gz ONMXNVMKBOQZCU-XMSQKQJNSA-N 1 0 368.525 3.754 20 30 FHEDRO N#Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612131216 939118259 /nfs/dbraw/zinc/11/82/59/939118259.db2.gz SQPVHQNYWLQFNN-IPMKNSEASA-N 1 0 365.502 3.650 20 30 FHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000612133328 939126203 /nfs/dbraw/zinc/12/62/03/939126203.db2.gz WVUSGVWEEFZOLE-NZSAHSFTSA-N 1 0 365.502 3.650 20 30 FHEDRO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000612174517 939192948 /nfs/dbraw/zinc/19/29/48/939192948.db2.gz CRFPZNWYKBSGPW-IRLDBZIGSA-N 1 0 364.489 3.599 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000507448776 945243068 /nfs/dbraw/zinc/24/30/68/945243068.db2.gz DVKZSLNSYVNADN-HOTGVXAUSA-N 1 0 371.500 3.602 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000511839478 945255565 /nfs/dbraw/zinc/25/55/65/945255565.db2.gz VMELNHCBZOVVHO-PNJWGLBASA-N 1 0 362.473 3.566 20 30 FHEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(Br)c(F)c1Cl ZINC001227300086 945457890 /nfs/dbraw/zinc/45/78/90/945457890.db2.gz ABIIYEAMZYTXDW-SECBINFHSA-N 1 0 350.639 3.609 20 30 FHEDRO C=CCn1c(CC)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000518261639 945264758 /nfs/dbraw/zinc/26/47/58/945264758.db2.gz MWMLBMVKXOCCCG-HKUYNNGSSA-N 1 0 353.514 3.688 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@H](CC(C)C)N2CCOCC2)cc1Cl ZINC000518271962 945277693 /nfs/dbraw/zinc/27/76/93/945277693.db2.gz ULGGYLIYVYZHMI-SFHVURJKSA-N 1 0 366.933 3.741 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)c(C#N)c1C ZINC000179526618 939881972 /nfs/dbraw/zinc/88/19/72/939881972.db2.gz IYUTUJMKIVNVHH-AWEZNQCLSA-N 1 0 355.438 3.845 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000179582630 939891179 /nfs/dbraw/zinc/89/11/79/939891179.db2.gz JJMJGXIGLCGTKX-OLZOCXBDSA-N 1 0 359.376 3.837 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c(F)c1 ZINC000179675568 939917652 /nfs/dbraw/zinc/91/76/52/939917652.db2.gz LFEAFCUSHGPNLQ-UHFFFAOYSA-N 1 0 359.832 3.555 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3ncc[nH]3)C3CCCCC3)CC2)nc1 ZINC000375812978 939927299 /nfs/dbraw/zinc/92/72/99/939927299.db2.gz ZBNSPWPMFKZOIK-FQEVSTJZSA-N 1 0 364.497 3.556 20 30 FHEDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC000364598760 939970194 /nfs/dbraw/zinc/97/01/94/939970194.db2.gz JYMFMXVSODADTN-BJWYYQGGSA-N 1 0 359.445 3.717 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000612306859 939986368 /nfs/dbraw/zinc/98/63/68/939986368.db2.gz GRGHDWVPWLYYLL-HXUWFJFHSA-N 1 0 358.486 3.565 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000612372525 940029273 /nfs/dbraw/zinc/02/92/73/940029273.db2.gz RBPDNXHZGARCBW-CTNGQTDRSA-N 1 0 354.498 3.549 20 30 FHEDRO N#Cc1cc(C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)ccc1F ZINC000548925632 940035628 /nfs/dbraw/zinc/03/56/28/940035628.db2.gz ZDOFZEGJSSYVCX-UHFFFAOYSA-N 1 0 353.416 3.864 20 30 FHEDRO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000365205357 940083072 /nfs/dbraw/zinc/08/30/72/940083072.db2.gz SLDIFTNLXPJNJA-UNMCSNQZSA-N 1 0 361.489 3.690 20 30 FHEDRO Cc1cccc(OCC[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000179891638 940084501 /nfs/dbraw/zinc/08/45/01/940084501.db2.gz LGLPQTYCKDCSTL-UHFFFAOYSA-N 1 0 360.461 3.778 20 30 FHEDRO Cn1cc(C[N@H+](C)CCOc2ccccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000179891589 940084522 /nfs/dbraw/zinc/08/45/22/940084522.db2.gz ULYTUINFBSVNNE-UHFFFAOYSA-N 1 0 364.424 3.609 20 30 FHEDRO Cn1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179893934 940092575 /nfs/dbraw/zinc/09/25/75/940092575.db2.gz JQWZRXLJMHHFNC-UHFFFAOYSA-N 1 0 370.456 3.954 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1F ZINC000365257083 940094858 /nfs/dbraw/zinc/09/48/58/940094858.db2.gz QRVXZVNCHMQBOC-UHFFFAOYSA-N 1 0 355.388 3.687 20 30 FHEDRO CCc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000158931306 940114839 /nfs/dbraw/zinc/11/48/39/940114839.db2.gz XRNMFLIGJFTWLL-UHFFFAOYSA-N 1 0 368.456 3.855 20 30 FHEDRO CCCCN(C(=O)c1ncc(C#N)cc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550289230 945298980 /nfs/dbraw/zinc/29/89/80/945298980.db2.gz JWSSQCPECYZJFZ-UHFFFAOYSA-N 1 0 356.514 3.813 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000413821150 940150420 /nfs/dbraw/zinc/15/04/20/940150420.db2.gz IKHAQDRPWCWPHB-NHCUHLMSSA-N 1 0 355.526 3.834 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]C/C=C\c3ccc(F)cc3F)CC2)nc1 ZINC000612580056 940160352 /nfs/dbraw/zinc/16/03/52/940160352.db2.gz CQJKPRKPRBLMLN-UPHRSURJSA-N 1 0 354.404 3.503 20 30 FHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1cccs1 ZINC000365452071 940160891 /nfs/dbraw/zinc/16/08/91/940160891.db2.gz CFIIXZFEPAKIFD-SJCJKPOMSA-N 1 0 358.442 3.573 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000179963750 940174788 /nfs/dbraw/zinc/17/47/88/940174788.db2.gz XLFBDNIXWCFZBZ-DJJJIMSYSA-N 1 0 355.388 3.683 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000179967091 940175092 /nfs/dbraw/zinc/17/50/92/940175092.db2.gz BJBNRUDHUGYCOC-AUUYWEPGSA-N 1 0 367.424 3.552 20 30 FHEDRO CC[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C)cs1 ZINC000179986690 940193060 /nfs/dbraw/zinc/19/30/60/940193060.db2.gz CAIJMKFCUXFRQK-DLBZAZTESA-N 1 0 354.479 3.560 20 30 FHEDRO Cn1cc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180025378 940272745 /nfs/dbraw/zinc/27/27/45/940272745.db2.gz QVKNTBDWKIGXBN-NRFANRHFSA-N 1 0 357.461 3.645 20 30 FHEDRO Cn1cc(C[NH2+]CC2(c3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180054309 940348046 /nfs/dbraw/zinc/34/80/46/940348046.db2.gz DOQMINBEXCEXEU-UHFFFAOYSA-N 1 0 360.436 3.919 20 30 FHEDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000519610118 945317586 /nfs/dbraw/zinc/31/75/86/945317586.db2.gz SHOMNZHWQMQLNM-KCXAZCMYSA-N 1 0 353.388 3.636 20 30 FHEDRO COc1cc(OC)cc(N2CCC([NH2+][C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000376168141 940408881 /nfs/dbraw/zinc/40/88/81/940408881.db2.gz VJNQDJAIEDWBCW-MRXNPFEDSA-N 1 0 365.477 3.895 20 30 FHEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000376168959 940409992 /nfs/dbraw/zinc/40/99/92/940409992.db2.gz YRZGPLQIAHGEJP-PSBKLILYSA-N 1 0 364.493 3.819 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)O1 ZINC000376178681 940426700 /nfs/dbraw/zinc/42/67/00/940426700.db2.gz SVEAVUXMLFJXKO-CGXNFDGLSA-N 1 0 367.493 3.755 20 30 FHEDRO COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000376178046 940429469 /nfs/dbraw/zinc/42/94/69/940429469.db2.gz NIBODZUSEBQUQB-BURNTYAHSA-N 1 0 372.509 3.740 20 30 FHEDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580293913 940472031 /nfs/dbraw/zinc/47/20/31/940472031.db2.gz JXHJPYKYMKLVNK-OCYFJXFZSA-N 1 0 373.500 3.689 20 30 FHEDRO Cc1ccncc1CCC[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000580482993 940476574 /nfs/dbraw/zinc/47/65/74/940476574.db2.gz QTCFVLVEYXRDTI-UHFFFAOYSA-N 1 0 350.466 3.569 20 30 FHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C3(c4cccc(C#N)c4)CC3)cccc21 ZINC000581166048 940494787 /nfs/dbraw/zinc/49/47/87/940494787.db2.gz WYHDJIIXNATBPQ-IBGZPJMESA-N 1 0 361.445 3.614 20 30 FHEDRO C[NH+](C)Cc1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000431786928 940498520 /nfs/dbraw/zinc/49/85/20/940498520.db2.gz UUKROKFRYYAADI-OAQYLSRUSA-N 1 0 364.493 3.983 20 30 FHEDRO CC[C@H](Cc1ccccc1Br)[NH2+]Cc1nc(C#N)cs1 ZINC000581636569 940509116 /nfs/dbraw/zinc/50/91/16/940509116.db2.gz FMPTXGUVGSBOJA-GFCCVEGCSA-N 1 0 350.285 3.888 20 30 FHEDRO CC(C)CC[N@H+](CCC#N)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000173542763 940639106 /nfs/dbraw/zinc/63/91/06/940639106.db2.gz XSTWYZGDDAJINU-UHFFFAOYSA-N 1 0 358.511 3.699 20 30 FHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000174033523 940693627 /nfs/dbraw/zinc/69/36/27/940693627.db2.gz UZYUKPRUVVQICO-GOSISDBHSA-N 1 0 365.477 3.505 20 30 FHEDRO Cn1cc(C[NH2+]CCCOc2ccc(F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180155711 940718912 /nfs/dbraw/zinc/71/89/12/940718912.db2.gz HYUNBBBYXDLEAF-UHFFFAOYSA-N 1 0 364.424 3.657 20 30 FHEDRO C[N@@H+]1CC[C@@H](NCc2ccc(Br)cc2C#N)[C@H]1c1ccccc1 ZINC000582575249 940737852 /nfs/dbraw/zinc/73/78/52/940737852.db2.gz QFVQAEHSKIVYLG-RTBURBONSA-N 1 0 370.294 3.856 20 30 FHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000414207529 940769511 /nfs/dbraw/zinc/76/95/11/940769511.db2.gz HGOJEBBHPPNGAV-LJQANCHMSA-N 1 0 374.893 3.782 20 30 FHEDRO O=C(COc1ccc2c(c1)CCCC2)NCC1([NH+]2CCCC2)CCOCC1 ZINC000330081337 945348361 /nfs/dbraw/zinc/34/83/61/945348361.db2.gz PNBFANKUPCRJDM-UHFFFAOYSA-N 1 0 372.509 3.546 20 30 FHEDRO CC(C)C[C@H](NC(=O)CN1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000330089907 945351365 /nfs/dbraw/zinc/35/13/65/945351365.db2.gz WGIRRMMJSGOTBM-CUWPLCDZSA-N 1 0 360.498 3.610 20 30 FHEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(Br)cc1OC(F)(F)F ZINC001218205014 940834812 /nfs/dbraw/zinc/83/48/12/940834812.db2.gz UTVXELXEXRBLRS-GFCCVEGCSA-N 1 0 352.150 3.645 20 30 FHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000014713210 940836212 /nfs/dbraw/zinc/83/62/12/940836212.db2.gz SSUVIEPZHDSZRT-UHFFFAOYSA-N 1 0 370.840 3.832 20 30 FHEDRO CCc1onc(C)c1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000330092615 945353101 /nfs/dbraw/zinc/35/31/01/945353101.db2.gz QYFARXPHWWSVSH-UHFFFAOYSA-N 1 0 356.470 3.712 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCOCC2CCOCC2)CC1 ZINC000507607583 945354594 /nfs/dbraw/zinc/35/45/94/945354594.db2.gz UXUAPYWLHFMNGB-UHFFFAOYSA-N 1 0 356.510 3.813 20 30 FHEDRO Cc1nccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)n1 ZINC000330102771 945357447 /nfs/dbraw/zinc/35/74/47/945357447.db2.gz GHEQAPPHTZCYFK-OAHLLOKOSA-N 1 0 359.499 3.646 20 30 FHEDRO C=CCOc1c(Br)cc(CNc2[nH+]ccn2C)cc1OCC ZINC000414311252 940942508 /nfs/dbraw/zinc/94/25/08/940942508.db2.gz YDGVMJHZXUAYPH-UHFFFAOYSA-N 1 0 366.259 3.758 20 30 FHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000376425868 940972265 /nfs/dbraw/zinc/97/22/65/940972265.db2.gz JILQGVBXYCKAQK-YLJYHZDGSA-N 1 0 364.493 3.501 20 30 FHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3cc(C#N)cs3)CCN2C2CC2)c1 ZINC000180379144 940992643 /nfs/dbraw/zinc/99/26/43/940992643.db2.gz HRWQWXGAUGFTQD-VQTJNVASSA-N 1 0 353.491 3.696 20 30 FHEDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2C[C@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000330128708 945367490 /nfs/dbraw/zinc/36/74/90/945367490.db2.gz NWHRZEZJNIDTBT-VDNWNZSNSA-N 1 0 374.525 3.925 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C(C)C)[C@H](C)C1 ZINC000584511721 941018213 /nfs/dbraw/zinc/01/82/13/941018213.db2.gz KCPOOBLPGMWEDQ-VQIMIIECSA-N 1 0 366.513 3.564 20 30 FHEDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(C#N)cc1 ZINC000376463839 941055697 /nfs/dbraw/zinc/05/56/97/941055697.db2.gz NXEWGPYXNBSVAS-RBUKOAKNSA-N 1 0 365.481 3.524 20 30 FHEDRO COC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1 ZINC000376475154 941067294 /nfs/dbraw/zinc/06/72/94/941067294.db2.gz ZYENZMLPZLHJLF-LJQANCHMSA-N 1 0 370.884 3.553 20 30 FHEDRO COC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1 ZINC000376475153 941067331 /nfs/dbraw/zinc/06/73/31/941067331.db2.gz ZYENZMLPZLHJLF-IBGZPJMESA-N 1 0 370.884 3.553 20 30 FHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(C#N)cs2)ccc1OC ZINC000177007136 941092836 /nfs/dbraw/zinc/09/28/36/941092836.db2.gz WGVYZPQANPDZMQ-UHFFFAOYSA-N 1 0 373.478 3.601 20 30 FHEDRO COc1ccc2c(c1)CCC[C@H]2CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000164308800 941116152 /nfs/dbraw/zinc/11/61/52/941116152.db2.gz XDCQKNDTHSTKSD-HNNXBMFYSA-N 1 0 369.465 3.559 20 30 FHEDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000188876987 941127696 /nfs/dbraw/zinc/12/76/96/941127696.db2.gz OPBBMPALQJSATM-HXUWFJFHSA-N 1 0 358.445 3.881 20 30 FHEDRO C[C@H](Nc1nc(C[NH3+])ccc1NC(=O)C(C)(C)C)c1cccc(C#N)c1 ZINC001167707428 941132599 /nfs/dbraw/zinc/13/25/99/941132599.db2.gz VTCYEOOTDUISBZ-ZDUSSCGKSA-N 1 0 351.454 3.570 20 30 FHEDRO C[C@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)C[NH+]1CCCC1 ZINC000181387615 941145127 /nfs/dbraw/zinc/14/51/27/941145127.db2.gz DORSIIVCAMZWKU-QGZVFWFLSA-N 1 0 363.461 3.812 20 30 FHEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000189491648 941159129 /nfs/dbraw/zinc/15/91/29/941159129.db2.gz GQJRIXZVTGOABR-GJZGRUSLSA-N 1 0 351.541 3.829 20 30 FHEDRO Cc1cccc2nc(C3CC[NH+](C[C@H](O)c4ccc(C#N)cc4)CC3)oc21 ZINC000189811622 941285138 /nfs/dbraw/zinc/28/51/38/941285138.db2.gz XFAWMXJPLGJWGV-FQEVSTJZSA-N 1 0 361.445 3.921 20 30 FHEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178781365 941303472 /nfs/dbraw/zinc/30/34/72/941303472.db2.gz UYILNAOYSRBFMK-BFUOFWGJSA-N 1 0 368.431 3.838 20 30 FHEDRO CC(C)(O)C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000189942922 941307827 /nfs/dbraw/zinc/30/78/27/941307827.db2.gz RSPXDWIWHOWOOZ-UHFFFAOYSA-N 1 0 350.462 3.873 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-c2cc[nH]n2)s1)C(C)C ZINC000431835256 941325997 /nfs/dbraw/zinc/32/59/97/941325997.db2.gz XQNXREYWJLPOMY-MRXNPFEDSA-N 1 0 358.511 3.567 20 30 FHEDRO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c(=O)cc2C)C[C@H]1C ZINC001104665126 941330887 /nfs/dbraw/zinc/33/08/87/941330887.db2.gz MUQLTZCZQKGYJH-QZTJIDSGSA-N 1 0 359.514 3.530 20 30 FHEDRO C=CCS(=O)(=O)CCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000782967887 941351654 /nfs/dbraw/zinc/35/16/54/941351654.db2.gz DKSBPIAELBZXLT-UHFFFAOYSA-N 1 0 374.289 3.944 20 30 FHEDRO C[C@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181502211 941355827 /nfs/dbraw/zinc/35/58/27/941355827.db2.gz UOQWOLDEPJEXKE-LPHOPBHVSA-N 1 0 371.550 3.561 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000181503341 941363263 /nfs/dbraw/zinc/36/32/63/941363263.db2.gz INSXZCSJWPEPAC-HUUCEWRRSA-N 1 0 355.413 3.517 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000376661769 941375500 /nfs/dbraw/zinc/37/55/00/941375500.db2.gz UQARYGJMMIXOKP-NVXWUHKLSA-N 1 0 362.543 3.760 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)cnc2NC(=N)SCC[NH3+])c1 ZINC001167913478 941379436 /nfs/dbraw/zinc/37/94/36/941379436.db2.gz NEKXDBREEQYJJA-UHFFFAOYSA-N 1 0 365.384 3.678 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000414577975 941384669 /nfs/dbraw/zinc/38/46/69/941384669.db2.gz HPXJCWDWTVLEGM-IBGZPJMESA-N 1 0 353.441 3.877 20 30 FHEDRO N#Cc1ccc(OCc2cccc(-c3nc(C4([NH3+])CCCC4)no3)c2)cc1 ZINC000414632270 941423575 /nfs/dbraw/zinc/42/35/75/941423575.db2.gz ZTOSZTWGNBNXBN-UHFFFAOYSA-N 1 0 360.417 3.915 20 30 FHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C#N)c(Cl)c1 ZINC000431837991 941476786 /nfs/dbraw/zinc/47/67/86/941476786.db2.gz OOEYGRRQSQIDJY-UHFFFAOYSA-N 1 0 374.960 3.844 20 30 FHEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000472655985 941495347 /nfs/dbraw/zinc/49/53/47/941495347.db2.gz XZGXWNDUFFTWAX-HOCLYGCPSA-N 1 0 354.288 3.922 20 30 FHEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000472655983 941495492 /nfs/dbraw/zinc/49/54/92/941495492.db2.gz XZGXWNDUFFTWAX-GDBMZVCRSA-N 1 0 354.288 3.922 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH3+])C3)cc2Cl)cc1 ZINC000414959969 941528642 /nfs/dbraw/zinc/52/86/42/941528642.db2.gz GIQRLUYARSJYBL-AWEZNQCLSA-N 1 0 370.840 3.816 20 30 FHEDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415008648 941539067 /nfs/dbraw/zinc/53/90/67/941539067.db2.gz NCQOYAIEWPPFCU-HNNXBMFYSA-N 1 0 352.438 3.990 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000415028592 941552900 /nfs/dbraw/zinc/55/29/00/941552900.db2.gz ZAHOBRVQBIAQHY-QGZVFWFLSA-N 1 0 364.449 3.780 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](CC[NH3+])C3)cc2)cc1 ZINC000415030860 941554368 /nfs/dbraw/zinc/55/43/68/941554368.db2.gz CWTKPUIVKWSCJO-QGZVFWFLSA-N 1 0 364.449 3.943 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC000415031792 941555822 /nfs/dbraw/zinc/55/58/22/941555822.db2.gz FLYSYRVQTKGHHV-IAGOWNOFSA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415035336 941557598 /nfs/dbraw/zinc/55/75/98/941557598.db2.gz IPIYEVZKIBGMGA-HXUWFJFHSA-N 1 0 350.422 3.553 20 30 FHEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415043013 941562452 /nfs/dbraw/zinc/56/24/52/941562452.db2.gz RBOFHHZKHGLVNC-GDBMZVCRSA-N 1 0 350.422 3.552 20 30 FHEDRO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C#N)cc3)C2=O)c1 ZINC000549175079 941581958 /nfs/dbraw/zinc/58/19/58/941581958.db2.gz YMBBHZHSWNKYCN-BEFAXECRSA-N 1 0 351.425 3.852 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000415068699 941585456 /nfs/dbraw/zinc/58/54/56/941585456.db2.gz WHTNAWGMHXFJRQ-UHFFFAOYSA-N 1 0 364.449 3.923 20 30 FHEDRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000549173448 941586341 /nfs/dbraw/zinc/58/63/41/941586341.db2.gz PQZJNTMAMOFHHN-KSSFIOAISA-N 1 0 353.491 3.806 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]C3CC(c4ccc(F)cc4F)C3)CC2)nc1 ZINC000892861747 941626816 /nfs/dbraw/zinc/62/68/16/941626816.db2.gz XKKCEUMINSMHIR-UHFFFAOYSA-N 1 0 368.431 3.736 20 30 FHEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415146055 941632864 /nfs/dbraw/zinc/63/28/64/941632864.db2.gz FSWOQBDOUOPUFB-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1C[NH3+] ZINC000415147632 941633464 /nfs/dbraw/zinc/63/34/64/941633464.db2.gz HZINFHCHJFFKMT-RDJZCZTQSA-N 1 0 364.449 3.799 20 30 FHEDRO C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H]1C[NH3+] ZINC000415152973 941636018 /nfs/dbraw/zinc/63/60/18/941636018.db2.gz VUCVGTSPROTWJX-QRWLVFNGSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415155104 941637374 /nfs/dbraw/zinc/63/73/74/941637374.db2.gz FELFGJPXFXZAQR-JZWPEALZSA-N 1 0 358.511 3.685 20 30 FHEDRO CC[NH2+]CC1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000415155031 941637910 /nfs/dbraw/zinc/63/79/10/941637910.db2.gz FBIBEEQQNPZZNY-OAHLLOKOSA-N 1 0 360.527 3.792 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2)c1 ZINC000415151263 941639355 /nfs/dbraw/zinc/63/93/55/941639355.db2.gz AEGUQPOBEYCXPS-DOTOQJQBSA-N 1 0 350.422 3.742 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000472753110 941676473 /nfs/dbraw/zinc/67/64/73/941676473.db2.gz PRBXLMIMYVOSSD-HZPDHXFCSA-N 1 0 357.281 3.723 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[C@H]1[NH3+] ZINC000415236421 941691490 /nfs/dbraw/zinc/69/14/90/941691490.db2.gz FTSNTGSCKSCNAQ-CXAGYDPISA-N 1 0 368.412 3.691 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC2(C[NH3+])CCCC2)cc1F ZINC000415244487 941697601 /nfs/dbraw/zinc/69/76/01/941697601.db2.gz YAOATONYBGHBGV-UHFFFAOYSA-N 1 0 368.412 3.883 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1C#N ZINC000415309219 941748468 /nfs/dbraw/zinc/74/84/68/941748468.db2.gz RFZOWHILUWGNIQ-CQSZACIVSA-N 1 0 352.438 3.687 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 ZINC000047544358 941756041 /nfs/dbraw/zinc/75/60/41/941756041.db2.gz RKMOCXMXLKVWOY-QGZVFWFLSA-N 1 0 363.461 3.950 20 30 FHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(Cl)cc(C)cc32)C[C@@H]1[NH+](C)C ZINC000549262643 941786788 /nfs/dbraw/zinc/78/67/88/941786788.db2.gz YSKMTWJITSFBQU-HOTGVXAUSA-N 1 0 360.914 3.550 20 30 FHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000330124235 941792455 /nfs/dbraw/zinc/79/24/55/941792455.db2.gz CIFGVRFBSPFLQD-DFQSSKMNSA-N 1 0 373.541 3.778 20 30 FHEDRO C=C(C)Cn1c(C)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000549273142 941812321 /nfs/dbraw/zinc/81/23/21/941812321.db2.gz USTWOKNUAIFIMF-FQEVSTJZSA-N 1 0 353.514 3.654 20 30 FHEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000330132149 941814821 /nfs/dbraw/zinc/81/48/21/941814821.db2.gz QDIPBQAWENJZJZ-GMBSWORKSA-N 1 0 359.518 3.657 20 30 FHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549278426 941827828 /nfs/dbraw/zinc/82/78/28/941827828.db2.gz WVJXNQZQYIVRTD-GOSISDBHSA-N 1 0 357.546 3.824 20 30 FHEDRO COc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)cc1C#N ZINC000513377950 941875946 /nfs/dbraw/zinc/87/59/46/941875946.db2.gz XQTLYDAPPBCTME-GOSISDBHSA-N 1 0 352.434 3.619 20 30 FHEDRO N#Cc1cc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1Oc1ccccc1 ZINC000415539252 941886999 /nfs/dbraw/zinc/88/69/99/941886999.db2.gz UWGDFVQFQDITIR-DOTOQJQBSA-N 1 0 364.449 3.990 20 30 FHEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c1 ZINC000377693894 941906883 /nfs/dbraw/zinc/90/68/83/941906883.db2.gz DERDRYWOHXCAIL-GGAORHGYSA-N 1 0 364.489 3.967 20 30 FHEDRO C=CCCC[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460660941 941941404 /nfs/dbraw/zinc/94/14/04/941941404.db2.gz ILPDNNVHVMEDRN-TYPHKJRUSA-N 1 0 355.526 3.895 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000728711441 941965787 /nfs/dbraw/zinc/96/57/87/941965787.db2.gz AEIPXXVAAOUFKX-SCLBCKFNSA-N 1 0 364.367 3.819 20 30 FHEDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCSCc1ccccc1C#N)CC2 ZINC000513499407 941972535 /nfs/dbraw/zinc/97/25/35/941972535.db2.gz GJGLYLWWWGBKAZ-FQEVSTJZSA-N 1 0 352.503 3.947 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)ccc1OC(F)F ZINC000728713303 941998851 /nfs/dbraw/zinc/99/88/51/941998851.db2.gz YYIJMYQVDMOYPA-ZDUSSCGKSA-N 1 0 362.376 3.877 20 30 FHEDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cccc(OCCCC#N)c2)cn1 ZINC000433929634 942002633 /nfs/dbraw/zinc/00/26/33/942002633.db2.gz FZAPNZLAPMNSTK-LEWJYISDSA-N 1 0 368.481 3.595 20 30 FHEDRO N#C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513587978 942026205 /nfs/dbraw/zinc/02/62/05/942026205.db2.gz FGOLKOSICCZMTA-HRAATJIYSA-N 1 0 365.864 3.618 20 30 FHEDRO N#C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513587981 942026297 /nfs/dbraw/zinc/02/62/97/942026297.db2.gz FGOLKOSICCZMTA-KKSFZXQISA-N 1 0 365.864 3.618 20 30 FHEDRO N#Cc1cccc(COc2cccc(CN3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000513639159 942050286 /nfs/dbraw/zinc/05/02/86/942050286.db2.gz YMPSBELWLKVRLU-UHFFFAOYSA-N 1 0 361.489 3.665 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000415801036 942058563 /nfs/dbraw/zinc/05/85/63/942058563.db2.gz FTUMWEHXWMAFIF-QGZVFWFLSA-N 1 0 352.463 3.568 20 30 FHEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415803536 942060299 /nfs/dbraw/zinc/06/02/99/942060299.db2.gz JSTYSYGNIRTCBK-LSDHHAIUSA-N 1 0 366.490 3.924 20 30 FHEDRO CC(C)(C#N)CCC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000377931924 942075813 /nfs/dbraw/zinc/07/58/13/942075813.db2.gz MEWNHJHEWQQKKX-KRWDZBQOSA-N 1 0 355.530 3.904 20 30 FHEDRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000501864565 942095952 /nfs/dbraw/zinc/09/59/52/942095952.db2.gz UQRGLLVRNHJEDO-HOTGVXAUSA-N 1 0 350.466 3.536 20 30 FHEDRO COc1cccc([C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[NH+](C)C)c1 ZINC000280269024 942146695 /nfs/dbraw/zinc/14/66/95/942146695.db2.gz NCEGOPCBYFLCCU-HXUWFJFHSA-N 1 0 365.477 3.529 20 30 FHEDRO COc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1C#N ZINC000183142993 942169362 /nfs/dbraw/zinc/16/93/62/942169362.db2.gz CMUPFGCVSQSNQM-UHFFFAOYSA-N 1 0 364.371 3.619 20 30 FHEDRO N#Cc1cccc(C2(NC(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)CC2)c1 ZINC000415978754 942221980 /nfs/dbraw/zinc/22/19/80/942221980.db2.gz YTFPBZZZZRSTPD-UHFFFAOYSA-N 1 0 374.366 3.847 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000280689014 942234395 /nfs/dbraw/zinc/23/43/95/942234395.db2.gz RHAHAQGJOHTCDZ-YWZLYKJASA-N 1 0 374.506 3.802 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)ccc1OCc1ccccn1 ZINC000280703211 942236135 /nfs/dbraw/zinc/23/61/35/942236135.db2.gz SRKDUZRWYPCOMD-HTAPYJJXSA-N 1 0 368.477 3.740 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCC3(C#N)CCC3)cc2)C1 ZINC000419403812 942248732 /nfs/dbraw/zinc/24/87/32/942248732.db2.gz FEYDUVNSNYLPHU-QZTJIDSGSA-N 1 0 368.525 3.658 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000501047808 942274323 /nfs/dbraw/zinc/27/43/23/942274323.db2.gz TWJGZUWBULACCN-FQEVSTJZSA-N 1 0 356.514 3.744 20 30 FHEDRO COc1cccc(C[N@H+](Cc2cc(C#N)cs2)C2CCC(O)CC2)c1 ZINC000092966852 942279023 /nfs/dbraw/zinc/27/90/23/942279023.db2.gz UQHYBXXOEYRYCF-UHFFFAOYSA-N 1 0 356.491 3.934 20 30 FHEDRO N#CCCOCC[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421044289 942314692 /nfs/dbraw/zinc/31/46/92/942314692.db2.gz SLHSEGVSEOEOSA-KRWDZBQOSA-N 1 0 351.288 3.776 20 30 FHEDRO C[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000502302565 942343097 /nfs/dbraw/zinc/34/30/97/942343097.db2.gz IWNHBDGZXMJDHC-QZTJIDSGSA-N 1 0 366.509 3.620 20 30 FHEDRO N#Cc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)s1 ZINC000421099724 942358419 /nfs/dbraw/zinc/35/84/19/942358419.db2.gz SJKUFSKCIMFUFD-UHFFFAOYSA-N 1 0 368.506 3.970 20 30 FHEDRO C[NH+](C)[C@H](CC(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000416120386 942363912 /nfs/dbraw/zinc/36/39/12/942363912.db2.gz DGEKIWRLGLQQHU-HXUWFJFHSA-N 1 0 367.518 3.601 20 30 FHEDRO Oc1ccc2ccccc2c1/C=N/Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180422436 942365639 /nfs/dbraw/zinc/36/56/39/942365639.db2.gz LWFQOYCZOMYXOO-LSCMLXDISA-N 1 0 360.457 3.731 20 30 FHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416143595 942389376 /nfs/dbraw/zinc/38/93/76/942389376.db2.gz KLOHYAMPZWEVCY-FQEVSTJZSA-N 1 0 367.449 3.802 20 30 FHEDRO Cc1cccc(OCC[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000014079615 942394906 /nfs/dbraw/zinc/39/49/06/942394906.db2.gz JAWIGDNGCMYPOH-UHFFFAOYSA-N 1 0 371.868 3.860 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416146807 942397444 /nfs/dbraw/zinc/39/74/44/942397444.db2.gz VVZQMYWQCFTXGX-UHFFFAOYSA-N 1 0 361.489 3.744 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000505236355 942408676 /nfs/dbraw/zinc/40/86/76/942408676.db2.gz YBFVFFVHKIPEPD-IBGZPJMESA-N 1 0 353.853 3.779 20 30 FHEDRO CCCC[NH+](CCCC)CCNc1cc(C#N)cc(OC)c1OC(C)=O ZINC001167733496 942485950 /nfs/dbraw/zinc/48/59/50/942485950.db2.gz XLNHJDOCSBBZIR-UHFFFAOYSA-N 1 0 361.486 3.806 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](CCCOc3ccc4c(c3)OCO4)CC2)cc1 ZINC000502493628 942489712 /nfs/dbraw/zinc/48/97/12/942489712.db2.gz GENZWIZCIUCEOK-UHFFFAOYSA-N 1 0 362.429 3.845 20 30 FHEDRO CCOc1cc(C[NH2+]Cc2ccc(C#N)s2)cc(Br)c1O ZINC000421347320 942500553 /nfs/dbraw/zinc/50/05/53/942500553.db2.gz BZZOJJPBXRRPLH-UHFFFAOYSA-N 1 0 367.268 3.776 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000046735929 942512316 /nfs/dbraw/zinc/51/23/16/942512316.db2.gz SVBNWDKQAZZHLS-UHFFFAOYSA-N 1 0 370.541 3.992 20 30 FHEDRO Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1C#N ZINC000541276303 942553170 /nfs/dbraw/zinc/55/31/70/942553170.db2.gz JKYKDSKHGJWDID-INIZCTEOSA-N 1 0 360.383 3.967 20 30 FHEDRO CC[C@H]1C[C@@]1([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(C)c1 ZINC000502594710 942568197 /nfs/dbraw/zinc/56/81/97/942568197.db2.gz VPBZBLWFCXILGJ-RXVVDRJESA-N 1 0 368.502 3.555 20 30 FHEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458809002 942588939 /nfs/dbraw/zinc/58/89/39/942588939.db2.gz ZRDDRZLGIQWEIQ-VAMGGRTRSA-N 1 0 354.498 3.547 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000505410752 942605418 /nfs/dbraw/zinc/60/54/18/942605418.db2.gz UEWXTMABQYAILN-UHFFFAOYSA-N 1 0 353.853 3.737 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 ZINC000434449366 942672670 /nfs/dbraw/zinc/67/26/70/942672670.db2.gz CKFOAWPCIQMGOF-IBGZPJMESA-N 1 0 357.498 3.562 20 30 FHEDRO C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@H](C)Cc1ccc(C)s1 ZINC000261845729 942676497 /nfs/dbraw/zinc/67/64/97/942676497.db2.gz XGAVGECRKDIMPQ-CYBMUJFWSA-N 1 0 355.511 3.537 20 30 FHEDRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)ccc1C#N ZINC000367027451 942689225 /nfs/dbraw/zinc/68/92/25/942689225.db2.gz BPAVGIQSNPKXLC-BCDXTJNWSA-N 1 0 371.481 3.587 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)ccc1OC ZINC000414537521 942696204 /nfs/dbraw/zinc/69/62/04/942696204.db2.gz ZIYRIMRPVUTMGD-GOSISDBHSA-N 1 0 359.441 3.655 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](CC(F)(F)F)C1)C(C)C ZINC000434478415 942702144 /nfs/dbraw/zinc/70/21/44/942702144.db2.gz UOCHMQYXYBVYPB-HOTGVXAUSA-N 1 0 361.452 3.669 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](CN3CCCC3)c3ccccc3)CC2)cc1 ZINC000513753777 942708316 /nfs/dbraw/zinc/70/83/16/942708316.db2.gz FOUSLIIXZGYYEJ-XMMPIXPASA-N 1 0 374.532 3.954 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccncc1 ZINC000502750980 942717374 /nfs/dbraw/zinc/71/73/74/942717374.db2.gz QKNRRMVFTLWQOM-UHFFFAOYSA-N 1 0 368.506 3.744 20 30 FHEDRO CC(C)n1cc(C[N@@H+]2CCCN(c3ccc4cc(C#N)ccc4n3)CC2)cn1 ZINC000378413317 942741541 /nfs/dbraw/zinc/74/15/41/942741541.db2.gz UWJPDPCGFRFUQP-UHFFFAOYSA-N 1 0 374.492 3.596 20 30 FHEDRO C=CCN(C(=O)N[C@H](C)c1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363823408 942762390 /nfs/dbraw/zinc/76/23/90/942762390.db2.gz NXBXJNNEUFLNLV-QUCCMNQESA-N 1 0 364.493 3.615 20 30 FHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1F ZINC000378459650 942792619 /nfs/dbraw/zinc/79/26/19/942792619.db2.gz GOOJQYSDCWZLFX-SPLOXXLWSA-N 1 0 364.424 3.576 20 30 FHEDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000434619109 942806049 /nfs/dbraw/zinc/80/60/49/942806049.db2.gz CBSAHFVSYDDHNN-OAQYLSRUSA-N 1 0 353.441 3.643 20 30 FHEDRO Cc1cc([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)cc(C)c1Br ZINC000330204776 942808538 /nfs/dbraw/zinc/80/85/38/942808538.db2.gz BWSJUFIXFCFXKV-LBPRGKRZSA-N 1 0 363.259 3.603 20 30 FHEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1cccs1 ZINC000378477325 942812521 /nfs/dbraw/zinc/81/25/21/942812521.db2.gz XLOPZIAKQRXHRM-APWZRJJASA-N 1 0 365.502 3.726 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)ccc1OC ZINC000414556008 942858304 /nfs/dbraw/zinc/85/83/04/942858304.db2.gz VBDUVQFRXMZYFS-LJQANCHMSA-N 1 0 372.509 3.627 20 30 FHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000181605138 942864524 /nfs/dbraw/zinc/86/45/24/942864524.db2.gz XCQLMRGXACMFQA-GOSISDBHSA-N 1 0 361.445 3.661 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)cc1 ZINC000378552217 942882235 /nfs/dbraw/zinc/88/22/35/942882235.db2.gz PYMRAWYQTFPJJU-IFXJQAMLSA-N 1 0 361.424 3.621 20 30 FHEDRO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000363878639 942928076 /nfs/dbraw/zinc/92/80/76/942928076.db2.gz KHFUYMFJDMFHCW-QZTJIDSGSA-N 1 0 371.456 3.772 20 30 FHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000378594779 942929640 /nfs/dbraw/zinc/92/96/40/942929640.db2.gz NZLPXDWXDORXEO-MRXNPFEDSA-N 1 0 364.449 3.536 20 30 FHEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)C1 ZINC000503035310 942930099 /nfs/dbraw/zinc/93/00/99/942930099.db2.gz RZVGJLDNJBUVCR-MWLCHTKSSA-N 1 0 360.626 3.726 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ncccn1 ZINC000378621402 942962952 /nfs/dbraw/zinc/96/29/52/942962952.db2.gz JHZKJUUAJNZPEW-JKSUJKDBSA-N 1 0 371.444 3.693 20 30 FHEDRO COC[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000434790329 942969062 /nfs/dbraw/zinc/96/90/62/942969062.db2.gz SZENQOBJDIKCTR-FCHUYYIVSA-N 1 0 364.489 3.670 20 30 FHEDRO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)C1=O ZINC000434849888 943005903 /nfs/dbraw/zinc/00/59/03/943005903.db2.gz HGZQYTHLQVUHOB-PKOBYXMFSA-N 1 0 365.502 3.995 20 30 FHEDRO CCOCCOCc1cccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271828679 943057308 /nfs/dbraw/zinc/05/73/08/943057308.db2.gz DLEXVZOFAUZHBU-GOSISDBHSA-N 1 0 368.477 3.993 20 30 FHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1ccc(C#N)s1 ZINC000422220779 943060367 /nfs/dbraw/zinc/06/03/67/943060367.db2.gz VLRPKPNOOSWJHD-UHFFFAOYSA-N 1 0 370.522 3.673 20 30 FHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1C)C(=S)NCCSC ZINC000178903943 943068250 /nfs/dbraw/zinc/06/82/50/943068250.db2.gz RWPWXZCGAUXNPK-UHFFFAOYSA-O 1 0 373.567 3.736 20 30 FHEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000435042838 943109804 /nfs/dbraw/zinc/10/98/04/943109804.db2.gz WXZBMPIOBXODDB-SZVBFZGTSA-N 1 0 365.502 3.678 20 30 FHEDRO N#Cc1ccsc1N1CC[C@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)C1=O ZINC000435048938 943120332 /nfs/dbraw/zinc/12/03/32/943120332.db2.gz KXOMXFFDXIRKJE-WBVHZDCISA-N 1 0 371.893 3.868 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H](Nc3cc[nH+]c4cc(F)ccc34)C2=O)cc1 ZINC000503316580 943120829 /nfs/dbraw/zinc/12/08/29/943120829.db2.gz MRJWOZHZKAEKIZ-LJQANCHMSA-N 1 0 360.392 3.853 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C2(c3cccc(C#N)c3)CC2)c1 ZINC000435051162 943123016 /nfs/dbraw/zinc/12/30/16/943123016.db2.gz ORGSFVNKRABSMX-UHFFFAOYSA-N 1 0 361.489 3.748 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272419508 943153119 /nfs/dbraw/zinc/15/31/19/943153119.db2.gz LTVPFBZHQNRKBG-VYDXJSESSA-N 1 0 358.511 3.639 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422557537 943180254 /nfs/dbraw/zinc/18/02/54/943180254.db2.gz KPMKJBYROSWRRU-UHFFFAOYSA-N 1 0 352.438 3.908 20 30 FHEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435132549 943185804 /nfs/dbraw/zinc/18/58/04/943185804.db2.gz KBYULEJUEACJJV-RTBURBONSA-N 1 0 369.538 3.965 20 30 FHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000435134551 943187338 /nfs/dbraw/zinc/18/73/38/943187338.db2.gz XUMXRPXLUSLZCU-YADHBBJMSA-N 1 0 374.488 3.572 20 30 FHEDRO CCCC[C@@H](ON=C(C)C)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000272642447 943191761 /nfs/dbraw/zinc/19/17/61/943191761.db2.gz XYGWVDGDTFPHAX-LJQANCHMSA-N 1 0 363.502 3.674 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272710876 943206600 /nfs/dbraw/zinc/20/66/00/943206600.db2.gz KNISULMMKATADG-GJZGRUSLSA-N 1 0 358.511 3.710 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1)C(=O)Nc1ccccc1C#N ZINC000503514655 943228686 /nfs/dbraw/zinc/22/86/86/943228686.db2.gz AELJBZCHONVSEX-DQLDELGASA-N 1 0 363.461 3.613 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000514786650 943289622 /nfs/dbraw/zinc/28/96/22/943289622.db2.gz SXRXBUPDAJOFGW-SFHVURJKSA-N 1 0 353.514 3.517 20 30 FHEDRO C=CCOc1c(Cl)cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000628295700 943290206 /nfs/dbraw/zinc/29/02/06/943290206.db2.gz HQVYYMXTUZYCCX-HXUWFJFHSA-N 1 0 364.917 3.831 20 30 FHEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000435449148 943410135 /nfs/dbraw/zinc/41/01/35/943410135.db2.gz OKEXVADKTUOJDD-FQEVSTJZSA-N 1 0 363.461 3.603 20 30 FHEDRO C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCc1c[nH]c2ccccc12 ZINC001269959662 943419857 /nfs/dbraw/zinc/41/98/57/943419857.db2.gz IDBYBLPBJGUSJS-NDXORKPFSA-N 1 0 351.494 3.598 20 30 FHEDRO C=CCC(C)(C)C(=O)N[C@@]12CC[C@@]([NH2+]Cc3nccn3CC)(C1)CCC2 ZINC001269977017 943469696 /nfs/dbraw/zinc/46/96/96/943469696.db2.gz GMCABTASFJXJAG-RTWAWAEBSA-N 1 0 358.530 3.557 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(OC)cc(OC)c2Cl)CC1 ZINC000417253993 943469972 /nfs/dbraw/zinc/46/99/72/943469972.db2.gz OFYCFEMYUWBGPS-UHFFFAOYSA-N 1 0 367.877 3.519 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000504065620 943485604 /nfs/dbraw/zinc/48/56/04/943485604.db2.gz ANXSTKMHEKRVNE-QFIPXVFZSA-N 1 0 374.488 3.660 20 30 FHEDRO C=CCc1cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc(OC)c1OC ZINC000504141413 943512516 /nfs/dbraw/zinc/51/25/16/943512516.db2.gz FQVMVSLEOZLEFR-UHFFFAOYSA-N 1 0 362.514 3.623 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000417355325 943536381 /nfs/dbraw/zinc/53/63/81/943536381.db2.gz ATSDXJLVJZMWJM-FHWLQOOXSA-N 1 0 365.437 3.814 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000417355339 943536774 /nfs/dbraw/zinc/53/67/74/943536774.db2.gz ATSDXJLVJZMWJM-OTWHNJEPSA-N 1 0 365.437 3.814 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000435675448 943554772 /nfs/dbraw/zinc/55/47/72/943554772.db2.gz VWQIQDKGIWRILQ-VSKRKVRLSA-N 1 0 364.489 3.615 20 30 FHEDRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417385696 943561751 /nfs/dbraw/zinc/56/17/51/943561751.db2.gz MGULEJAQAAMAPJ-VGSWGCGISA-N 1 0 361.489 3.663 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435740998 943591568 /nfs/dbraw/zinc/59/15/68/943591568.db2.gz MYRZAUOVUJQWSG-YJBOKZPZSA-N 1 0 365.399 3.962 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000435745390 943594891 /nfs/dbraw/zinc/59/48/91/943594891.db2.gz MLAJLOLXEOQBQG-UNMCSNQZSA-N 1 0 353.510 3.927 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000431954202 943699880 /nfs/dbraw/zinc/69/98/80/943699880.db2.gz XDLAOSZWOOCOSW-UHFFFAOYSA-N 1 0 362.477 3.995 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000424102446 943718849 /nfs/dbraw/zinc/71/88/49/943718849.db2.gz BDXATDLYPHCPEB-INIZCTEOSA-N 1 0 367.415 3.655 20 30 FHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1F ZINC000424100967 943718972 /nfs/dbraw/zinc/71/89/72/943718972.db2.gz IOEBZNYBOJZQAX-MRXNPFEDSA-N 1 0 371.412 3.895 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000424085554 943721625 /nfs/dbraw/zinc/72/16/25/943721625.db2.gz BGLNIWVIPQWUEP-GOSISDBHSA-N 1 0 357.841 3.879 20 30 FHEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424121641 943742901 /nfs/dbraw/zinc/74/29/01/943742901.db2.gz ILXDGTZJQFVXAG-HOTGVXAUSA-N 1 0 351.878 3.573 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000424141102 943748728 /nfs/dbraw/zinc/74/87/28/943748728.db2.gz OLCMNLOAXWCSEP-YYWHXJBOSA-N 1 0 366.461 3.556 20 30 FHEDRO COc1ccc([C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c2ccccc2Cl)cc1 ZINC000424130589 943757006 /nfs/dbraw/zinc/75/70/06/943757006.db2.gz UAJURJRPNFXLRN-RTBURBONSA-N 1 0 371.868 3.575 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000424165717 943771617 /nfs/dbraw/zinc/77/16/17/943771617.db2.gz AWIHFYMANZWBTN-BBRMVZONSA-N 1 0 351.372 3.776 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000424168849 943772696 /nfs/dbraw/zinc/77/26/96/943772696.db2.gz GUKFYFMYTCWROM-ZFWWWQNUSA-N 1 0 370.287 3.537 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000424171751 943774366 /nfs/dbraw/zinc/77/43/66/943774366.db2.gz LCDQPTMERGKLKP-WBAXXEDZSA-N 1 0 351.874 3.579 20 30 FHEDRO COC(=O)c1cccc(C[N@H+](C)[C@H]2C[C@H](c3cccc(OC)c3)C2)c1C#N ZINC000515293080 943777538 /nfs/dbraw/zinc/77/75/38/943777538.db2.gz DSXUVINLXWZEBZ-IYARVYRRSA-N 1 0 364.445 3.731 20 30 FHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(F)cc3C#N)CCN2C2CC2)c1 ZINC000549476703 943813094 /nfs/dbraw/zinc/81/30/94/943813094.db2.gz GYKTWGISLBSKJZ-FCHUYYIVSA-N 1 0 365.452 3.774 20 30 FHEDRO CC[N@H+](CCCOc1cccc(I)c1)C[C@@H](C)C#N ZINC000506056919 943840468 /nfs/dbraw/zinc/84/04/68/943840468.db2.gz PXNXXACSZABGMM-ZDUSSCGKSA-N 1 0 372.250 3.542 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC(C)C)CC1 ZINC000516999724 943902885 /nfs/dbraw/zinc/90/28/85/943902885.db2.gz VYRUYJNSEDRAHE-UHFFFAOYSA-N 1 0 351.878 3.899 20 30 FHEDRO N#Cc1csc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000437572695 943927989 /nfs/dbraw/zinc/92/79/89/943927989.db2.gz WXJUYJBMMMXXTH-UHFFFAOYSA-N 1 0 353.491 3.926 20 30 FHEDRO C=CCC[C@@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000417908873 943945065 /nfs/dbraw/zinc/94/50/65/943945065.db2.gz BYQHRWZRTJFTLO-QGZVFWFLSA-N 1 0 367.415 3.932 20 30 FHEDRO C=CCCc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000505010135 943967447 /nfs/dbraw/zinc/96/74/47/943967447.db2.gz BWJHHUODRPFFHG-LEWJYISDSA-N 1 0 371.525 3.695 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000437642966 943992884 /nfs/dbraw/zinc/99/28/84/943992884.db2.gz BCGPZWLZBDEGPT-YLJYHZDGSA-N 1 0 364.555 3.866 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCN2CCCCCC2=O)CC1 ZINC000500041664 943996777 /nfs/dbraw/zinc/99/67/77/943996777.db2.gz QWRHGKXQUZHAFT-UHFFFAOYSA-N 1 0 353.510 3.773 20 30 FHEDRO C[C@H]1C[C@@H](C(=O)NCc2cccc(COC3CCOCC3)c2)CC[N@@H+]1C ZINC000329543502 944026331 /nfs/dbraw/zinc/02/63/31/944026331.db2.gz YIIHNUBGCHYPGO-LPHOPBHVSA-N 1 0 360.498 3.569 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H]([NH3+])C2)cc1Cl ZINC000414910842 944030084 /nfs/dbraw/zinc/03/00/84/944030084.db2.gz SGZXGNPNDRXCTG-WMLDXEAASA-N 1 0 354.841 3.560 20 30 FHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425468451 944035746 /nfs/dbraw/zinc/03/57/46/944035746.db2.gz DRJNQIXQFVSIPX-MHORFTMASA-N 1 0 356.514 3.627 20 30 FHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417984219 944037270 /nfs/dbraw/zinc/03/72/70/944037270.db2.gz CXWZVUWKWXOZSY-IERDGZPVSA-N 1 0 362.477 3.680 20 30 FHEDRO C[C@H](NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990242 944045789 /nfs/dbraw/zinc/04/57/89/944045789.db2.gz KDHMGQMIOYJFAJ-ULQDDVLXSA-N 1 0 362.477 3.678 20 30 FHEDRO C[C@@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417997984 944046717 /nfs/dbraw/zinc/04/67/17/944046717.db2.gz SQQQEEFMMGHOEP-OPAMFIHVSA-N 1 0 362.477 3.667 20 30 FHEDRO C[C@H](NC(=O)NC1CCC([NH3+])CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417999687 944048683 /nfs/dbraw/zinc/04/86/83/944048683.db2.gz VCRVQXNVBSMECO-VUZGARFFSA-N 1 0 362.477 3.855 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417993322 944050789 /nfs/dbraw/zinc/05/07/89/944050789.db2.gz NSTSGVHPXYFXSD-RVHYNSKXSA-N 1 0 362.477 3.855 20 30 FHEDRO N#CCSc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000364206390 944053910 /nfs/dbraw/zinc/05/39/10/944053910.db2.gz HVDPSIBISOHLOF-QGZVFWFLSA-N 1 0 357.523 3.640 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC1 ZINC000437736956 944065993 /nfs/dbraw/zinc/06/59/93/944065993.db2.gz XUFPQGDWVMOSMP-RHDGDCLCSA-N 1 0 363.452 3.551 20 30 FHEDRO C=CCc1cc(C[NH2+]C[C@H](C)N2CCc3ccccc32)cc(OC)c1O ZINC000500107659 944111410 /nfs/dbraw/zinc/11/14/10/944111410.db2.gz HHTHUZGDYLUOKI-INIZCTEOSA-N 1 0 352.478 3.670 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H]2Cc2ccccc2)c1C ZINC000437826841 944151640 /nfs/dbraw/zinc/15/16/40/944151640.db2.gz YIAOOVHLNLMWEY-OAQYLSRUSA-N 1 0 361.489 3.867 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000436294107 944180268 /nfs/dbraw/zinc/18/02/68/944180268.db2.gz PMAQHKURYRBZIK-TYILLQQXSA-N 1 0 366.889 3.637 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000436303409 944186888 /nfs/dbraw/zinc/18/68/88/944186888.db2.gz BNDWUWHYWFNOPJ-MDYRTPRTSA-N 1 0 364.917 3.648 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000436314797 944193779 /nfs/dbraw/zinc/19/37/79/944193779.db2.gz ZGICOBQVVQILMV-FTRWYGJKSA-N 1 0 364.917 3.648 20 30 FHEDRO C[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1C(=O)OC(C)(C)C ZINC000425515397 944197802 /nfs/dbraw/zinc/19/78/02/944197802.db2.gz SNBQXQZWJSBJEC-SJORKVTESA-N 1 0 350.503 3.529 20 30 FHEDRO C=CCC[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000439008065 944247764 /nfs/dbraw/zinc/24/77/64/944247764.db2.gz ZXCWFTCVKVXLEL-KRWDZBQOSA-N 1 0 365.315 3.903 20 30 FHEDRO Cc1ccc2[nH]c(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2c1 ZINC000518289539 944251152 /nfs/dbraw/zinc/25/11/52/944251152.db2.gz VKHYDKHKMGTTTQ-UHFFFAOYSA-N 1 0 360.461 3.552 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000425531212 944256013 /nfs/dbraw/zinc/25/60/13/944256013.db2.gz GYKZHQPJXYMCPD-OAHLLOKOSA-N 1 0 355.869 3.911 20 30 FHEDRO C=CCCC1(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000660359482 944264404 /nfs/dbraw/zinc/26/44/04/944264404.db2.gz XWHHXHYQYITOEH-UHFFFAOYSA-N 1 0 370.541 3.872 20 30 FHEDRO C=CCc1cc(C[NH2+]C[C@H]2Cc3ccccc3N(C)C2)cc(OC)c1O ZINC000436408288 944268117 /nfs/dbraw/zinc/26/81/17/944268117.db2.gz GIRUTFWVKYYIQF-QGZVFWFLSA-N 1 0 352.478 3.528 20 30 FHEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000500214972 944277612 /nfs/dbraw/zinc/27/76/12/944277612.db2.gz ACEQCEUIOLGRKJ-IRLDBZIGSA-N 1 0 359.473 3.618 20 30 FHEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000500214973 944277847 /nfs/dbraw/zinc/27/78/47/944277847.db2.gz ACEQCEUIOLGRKJ-RBBKRZOGSA-N 1 0 359.473 3.618 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](CC)OC)cc1OC ZINC000515858342 944280779 /nfs/dbraw/zinc/28/07/79/944280779.db2.gz PEPGEUCNAGQVCA-ZDUSSCGKSA-N 1 0 358.276 3.537 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000418223810 944282615 /nfs/dbraw/zinc/28/26/15/944282615.db2.gz ZGUNOJRMJITCQC-HXUWFJFHSA-N 1 0 350.466 3.592 20 30 FHEDRO N#CCCC[C@H](NC(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000418223809 944282629 /nfs/dbraw/zinc/28/26/29/944282629.db2.gz ZGUNOJRMJITCQC-FQEVSTJZSA-N 1 0 350.466 3.592 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](C)C(F)(F)F ZINC000439044649 944283365 /nfs/dbraw/zinc/28/33/65/944283365.db2.gz QDRSEYIDJOFLIU-ZDUSSCGKSA-N 1 0 362.465 3.783 20 30 FHEDRO C=CCCC1(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000660362020 944284503 /nfs/dbraw/zinc/28/45/03/944284503.db2.gz KJZPEVPAMARQGY-UHFFFAOYSA-N 1 0 370.541 3.872 20 30 FHEDRO C=CCN(CC(F)(F)F)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518399076 944339078 /nfs/dbraw/zinc/33/90/78/944339078.db2.gz QUHXCPHZOUGKEV-INIZCTEOSA-N 1 0 368.443 3.907 20 30 FHEDRO C[NH+](C)C1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)C1 ZINC000543562755 944358395 /nfs/dbraw/zinc/35/83/95/944358395.db2.gz DDONLFTZCQRRSH-UHFFFAOYSA-N 1 0 370.840 3.782 20 30 FHEDRO C[N@H+](CCOc1cccc(C#N)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543558742 944366579 /nfs/dbraw/zinc/36/65/79/944366579.db2.gz HHGXPZANRPTXIT-TZIWHRDSSA-N 1 0 354.425 3.928 20 30 FHEDRO COc1cc(C#N)ccc1CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000518439197 944366609 /nfs/dbraw/zinc/36/66/09/944366609.db2.gz AXYXRZMGKVUMLR-GOSISDBHSA-N 1 0 369.534 3.891 20 30 FHEDRO Cc1cc(NC(=O)NCCCC[NH+]2CCC(C)CC2)c(C#N)cc1N(C)C ZINC000436500420 944367178 /nfs/dbraw/zinc/36/71/78/944367178.db2.gz VTYJZFGMTYCELB-UHFFFAOYSA-N 1 0 371.529 3.566 20 30 FHEDRO N#Cc1ccc(CCC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000140093335 944378512 /nfs/dbraw/zinc/37/85/12/944378512.db2.gz XKFAWBKWZNJUSW-LJQANCHMSA-N 1 0 367.518 3.581 20 30 FHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000506510838 944433158 /nfs/dbraw/zinc/43/31/58/944433158.db2.gz LUYPNWIZEKRWLH-INIZCTEOSA-N 1 0 359.489 3.603 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000506516815 944444367 /nfs/dbraw/zinc/44/43/67/944444367.db2.gz RSLQXYROXAIUNT-CALCHBBNSA-N 1 0 373.516 3.849 20 30 FHEDRO COCCOc1cccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000516037809 944448920 /nfs/dbraw/zinc/44/89/20/944448920.db2.gz WZYGOSHLRZRAQN-UHFFFAOYSA-N 1 0 364.367 3.892 20 30 FHEDRO C=CCCC[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000517621965 944450165 /nfs/dbraw/zinc/45/01/65/944450165.db2.gz YWJBFZCILAXZJQ-UHFFFAOYSA-N 1 0 364.489 3.990 20 30 FHEDRO C[C@@H](OC[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000046836068 944456072 /nfs/dbraw/zinc/45/60/72/944456072.db2.gz NQNWGHYGFVRXOW-QRWLVFNGSA-N 1 0 358.869 3.782 20 30 FHEDRO Cc1cccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000017517661 944479570 /nfs/dbraw/zinc/47/95/70/944479570.db2.gz JIZXKDSBLTVMAA-UHFFFAOYSA-N 1 0 364.518 3.771 20 30 FHEDRO CC[C@@](C)(O)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000439263451 944480579 /nfs/dbraw/zinc/48/05/79/944480579.db2.gz XMRFPQITLGQBKW-JOCHJYFZSA-N 1 0 365.477 3.550 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)c1cccs1 ZINC000517664237 944487495 /nfs/dbraw/zinc/48/74/95/944487495.db2.gz PYEPNQSCQDOZRU-SFHVURJKSA-N 1 0 371.506 3.588 20 30 FHEDRO Cc1ccc2cc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2n1 ZINC000437794573 944506246 /nfs/dbraw/zinc/50/62/46/944506246.db2.gz DFPBQDPYVKAKFK-QFIPXVFZSA-N 1 0 370.456 3.700 20 30 FHEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000311290911 944516881 /nfs/dbraw/zinc/51/68/81/944516881.db2.gz AELAMUCPYATQEX-SJLPKXTDSA-N 1 0 358.482 3.576 20 30 FHEDRO CSCc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010764 944518299 /nfs/dbraw/zinc/51/82/99/944518299.db2.gz JLVQQZBFYKFDPJ-UHFFFAOYSA-N 1 0 367.518 3.625 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000517745340 944571940 /nfs/dbraw/zinc/57/19/40/944571940.db2.gz LEONMXHUCUEGRX-ZWKOTPCHSA-N 1 0 359.514 3.513 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)C2(c3ccccc3OC)CCCCC2)CC1 ZINC000517762571 944582756 /nfs/dbraw/zinc/58/27/56/944582756.db2.gz BYGBNKNMWQXXHQ-UHFFFAOYSA-N 1 0 356.510 3.664 20 30 FHEDRO OC[C@]1([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CCCc2ccccc21 ZINC000440472951 944585031 /nfs/dbraw/zinc/58/50/31/944585031.db2.gz YHPQKISKXOGVSH-HXUWFJFHSA-N 1 0 359.391 3.871 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(Cl)c1 ZINC000439441210 944619433 /nfs/dbraw/zinc/61/94/33/944619433.db2.gz RDFMAJVZCWLTPL-MRXNPFEDSA-N 1 0 351.841 3.634 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Cl)c1 ZINC000439443877 944620991 /nfs/dbraw/zinc/62/09/91/944620991.db2.gz NYDLBOJABZDAIT-KRWDZBQOSA-N 1 0 369.900 3.909 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(Cl)c1 ZINC000439454742 944638552 /nfs/dbraw/zinc/63/85/52/944638552.db2.gz SECSYZWSOHRFLR-KRWDZBQOSA-N 1 0 367.880 3.854 20 30 FHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000517803968 944650470 /nfs/dbraw/zinc/65/04/70/944650470.db2.gz VARLNTUJZKQHBJ-DLBZAZTESA-N 1 0 365.477 3.571 20 30 FHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C)c(OC)c2)ccc1OC ZINC000194310025 944651154 /nfs/dbraw/zinc/65/11/54/944651154.db2.gz NANUPYYEDWUJPH-SFHVURJKSA-N 1 0 354.450 3.983 20 30 FHEDRO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1ccc(C#N)cc1 ZINC000506912013 944739185 /nfs/dbraw/zinc/73/91/85/944739185.db2.gz BEWLJCYJNCLHSY-CMKODMSKSA-N 1 0 368.525 3.915 20 30 FHEDRO CCCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccccc1CC ZINC000194838432 944750104 /nfs/dbraw/zinc/75/01/04/944750104.db2.gz PAUPBSCYKXXUHT-UHFFFAOYSA-O 1 0 371.526 3.792 20 30 FHEDRO C=C(C)[C@H](NC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)c1ccc(F)c(F)c1 ZINC000664701998 944777080 /nfs/dbraw/zinc/77/70/80/944777080.db2.gz LFXMJOLKHNAFRG-QAPCUYQASA-N 1 0 351.441 3.708 20 30 FHEDRO CC1(c2ccccc2)CC(NC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262059692 944779265 /nfs/dbraw/zinc/77/92/65/944779265.db2.gz BMRVWEUAPFMMRB-UHFFFAOYSA-N 1 0 351.450 3.695 20 30 FHEDRO N#Cc1c(NC(=O)CC[NH+]2C[C@@H]3CCCC[C@H]3C2)sc2c1CCCC2 ZINC000426772428 944791098 /nfs/dbraw/zinc/79/10/98/944791098.db2.gz DKIZNCYLTLJMFE-GJZGRUSLSA-N 1 0 357.523 3.949 20 30 FHEDRO C=CCn1c(C(C)C)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518841269 944851206 /nfs/dbraw/zinc/85/12/06/944851206.db2.gz LBAVBNAEAZDHOR-LJQANCHMSA-N 1 0 353.514 3.688 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000425666123 944871457 /nfs/dbraw/zinc/87/14/57/944871457.db2.gz VRYBYNXXCMUCKE-INIZCTEOSA-N 1 0 350.466 3.887 20 30 FHEDRO N#Cc1c(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cccc1C(F)F ZINC000517960924 944875548 /nfs/dbraw/zinc/87/55/48/944875548.db2.gz LSBHTFIXALZUOR-CVEARBPZSA-N 1 0 357.404 3.543 20 30 FHEDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438643788 944879062 /nfs/dbraw/zinc/87/90/62/944879062.db2.gz GJMYCMDNIONGCE-UHFFFAOYSA-N 1 0 354.376 3.525 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425666572 944883644 /nfs/dbraw/zinc/88/36/44/944883644.db2.gz YGAAQAVMZBWAGI-VQIMIIECSA-N 1 0 368.481 3.937 20 30 FHEDRO C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)[NH+]1CCCCCC1 ZINC000505917552 944888055 /nfs/dbraw/zinc/88/80/55/944888055.db2.gz RPVCFXUEHDUEMC-XJKSGUPXSA-N 1 0 353.388 3.651 20 30 FHEDRO CC1=CC[N@H+](CCNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000506654171 944896428 /nfs/dbraw/zinc/89/64/28/944896428.db2.gz NWEAJMHBAMAVLG-UHFFFAOYSA-N 1 0 361.445 3.732 20 30 FHEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000506654889 944898393 /nfs/dbraw/zinc/89/83/93/944898393.db2.gz QSHABPAHODIRMW-KBXCAEBGSA-N 1 0 367.449 3.643 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000425675448 944917808 /nfs/dbraw/zinc/91/78/08/944917808.db2.gz RDUARVCWPGWWAO-IHPCNDPISA-N 1 0 373.541 3.786 20 30 FHEDRO C[NH+](C)CC1(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CCCCC1 ZINC000426931795 944931848 /nfs/dbraw/zinc/93/18/48/944931848.db2.gz DQCNZUBVEKNKQE-UHFFFAOYSA-N 1 0 351.494 3.686 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000432052102 944955444 /nfs/dbraw/zinc/95/54/44/944955444.db2.gz IYRVXVAZQZFQNZ-UHFFFAOYSA-N 1 0 354.401 3.602 20 30 FHEDRO CCCCCCCCC(=O)N1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001270163409 944969250 /nfs/dbraw/zinc/96/92/50/944969250.db2.gz CDAXEFKTRZXWHA-UHFFFAOYSA-N 1 0 351.579 3.613 20 30 FHEDRO CCCCCCCCC(=O)N1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001270163884 944972234 /nfs/dbraw/zinc/97/22/34/944972234.db2.gz LRGWJPMPFDSHCE-NRFANRHFSA-N 1 0 351.579 3.613 20 30 FHEDRO COc1cc2c(cc1OC)CC[NH+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000426996109 944985003 /nfs/dbraw/zinc/98/50/03/944985003.db2.gz XIYGHVUVJGFXFU-UHFFFAOYSA-N 1 0 355.865 3.810 20 30 FHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)nc1 ZINC000427009071 944994303 /nfs/dbraw/zinc/99/43/03/944994303.db2.gz PCDIJEZMJOZYSD-GOSISDBHSA-N 1 0 367.880 3.746 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000427020064 945019061 /nfs/dbraw/zinc/01/90/61/945019061.db2.gz AGMTVOIVIVOORD-HUUCEWRRSA-N 1 0 350.422 3.557 20 30 FHEDRO CC(C)O[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1(C)C ZINC000437105438 945025822 /nfs/dbraw/zinc/02/58/22/945025822.db2.gz RXLWHQCRRHWKJF-WZOJCFFYSA-N 1 0 357.498 3.825 20 30 FHEDRO CN(C(=O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1)C1(C#N)CCCCC1 ZINC000507201461 945027228 /nfs/dbraw/zinc/02/72/28/945027228.db2.gz FPBYGDRFFZMUAD-UHFFFAOYSA-N 1 0 371.500 3.765 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507212317 945045297 /nfs/dbraw/zinc/04/52/97/945045297.db2.gz VNFNTRCXUWMGND-IERDGZPVSA-N 1 0 359.489 3.523 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000511762272 945049280 /nfs/dbraw/zinc/04/92/80/945049280.db2.gz LUXHSHSZEHBFFF-UHFFFAOYSA-N 1 0 371.525 3.848 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1C(C)C ZINC000330183554 945391742 /nfs/dbraw/zinc/39/17/42/945391742.db2.gz QCBXEVWFZGIGQO-QGZVFWFLSA-N 1 0 361.534 3.768 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1C(C)C ZINC000330183553 945391842 /nfs/dbraw/zinc/39/18/42/945391842.db2.gz QCBXEVWFZGIGQO-KRWDZBQOSA-N 1 0 361.534 3.768 20 30 FHEDRO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330210391 945404197 /nfs/dbraw/zinc/40/41/97/945404197.db2.gz IHYBKGGOBOXPDR-CQSZACIVSA-N 1 0 370.280 3.667 20 30 FHEDRO CCC1CCC(N(C)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000330220573 945409407 /nfs/dbraw/zinc/40/94/07/945409407.db2.gz KXLQVHLGWRZAQS-HFPIOELMSA-N 1 0 365.562 3.569 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C ZINC000330248695 945422641 /nfs/dbraw/zinc/42/26/41/945422641.db2.gz ZKMCOFWXUTVFQW-GDBMZVCRSA-N 1 0 358.486 3.682 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1C ZINC000330247929 945422682 /nfs/dbraw/zinc/42/26/82/945422682.db2.gz LYLXKNNSMFSCRV-QGZVFWFLSA-N 1 0 359.470 3.540 20 30 FHEDRO COc1ccc(C)cc1C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CCOCC1 ZINC000330260317 945431281 /nfs/dbraw/zinc/43/12/81/945431281.db2.gz OFHMHZHVTGFIGL-LJQANCHMSA-N 1 0 372.509 3.635 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+]1C ZINC000438021923 945433141 /nfs/dbraw/zinc/43/31/41/945433141.db2.gz GTSSWKHWIVKQMQ-MAUKXSAKSA-N 1 0 364.449 3.955 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc2n(n1)CCCO2 ZINC000330288861 945446522 /nfs/dbraw/zinc/44/65/22/945446522.db2.gz DIKKXHLOBNFFNP-INIZCTEOSA-N 1 0 368.481 3.545 20 30 FHEDRO CC[N@H+](C[C@H](O)COc1ccc(C)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000507701198 945466718 /nfs/dbraw/zinc/46/67/18/945466718.db2.gz IZTHXSFNYULJJH-NQIIRXRSSA-N 1 0 352.478 3.998 20 30 FHEDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415012373 945475822 /nfs/dbraw/zinc/47/58/22/945475822.db2.gz SLDLPHZNGNCFGT-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO C=CCNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccccc1 ZINC000027058927 945508099 /nfs/dbraw/zinc/50/80/99/945508099.db2.gz LLGNMXAJZRGSJH-UHFFFAOYSA-O 1 0 353.511 3.922 20 30 FHEDRO C[N@@H+]1CCC[C@@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)CC[C@H]21 ZINC000301659709 945532916 /nfs/dbraw/zinc/53/29/16/945532916.db2.gz CDYHRMJNTMWMKR-FZKQIMNGSA-N 1 0 372.419 3.628 20 30 FHEDRO Cc1ccccc1C(=O)NC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000330315498 945537693 /nfs/dbraw/zinc/53/76/93/945537693.db2.gz YSUGAKFSGUGWLD-IBGZPJMESA-N 1 0 371.525 3.555 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000025664016 945553577 /nfs/dbraw/zinc/55/35/77/945553577.db2.gz NDVGYLLYTPSXAX-SUMWQHHRSA-N 1 0 364.367 3.668 20 30 FHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000549524189 945579555 /nfs/dbraw/zinc/57/95/55/945579555.db2.gz FUMWOQCICRJJNM-HNNXBMFYSA-N 1 0 354.885 3.990 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661003382 945642515 /nfs/dbraw/zinc/64/25/15/945642515.db2.gz LFEZZTJZIGOLNE-PMXSJFBMSA-N 1 0 353.510 3.790 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccccc1CC ZINC000027324166 945709015 /nfs/dbraw/zinc/70/90/15/945709015.db2.gz PZJYRWNGAJXQFN-UHFFFAOYSA-O 1 0 371.526 3.874 20 30 FHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000110680334 945718614 /nfs/dbraw/zinc/71/86/14/945718614.db2.gz PSWGDSBLUTZTFV-HXUWFJFHSA-N 1 0 367.449 3.884 20 30 FHEDRO N#Cc1cc2ccc(-n3cc(CC[NH3+])c4cc(O)ccc43)cc2cc1C#N ZINC001167988088 945724682 /nfs/dbraw/zinc/72/46/82/945724682.db2.gz UQLPJLTZXMUOAW-UHFFFAOYSA-N 1 0 352.397 3.734 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000661117699 945750049 /nfs/dbraw/zinc/75/00/49/945750049.db2.gz UEPFWCDSLYAWBV-HOCLYGCPSA-N 1 0 373.888 3.584 20 30 FHEDRO CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000519832695 945793229 /nfs/dbraw/zinc/79/32/29/945793229.db2.gz VLMXWDYRHZMWLJ-UHFFFAOYSA-N 1 0 368.506 3.532 20 30 FHEDRO N#CC1CCC(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000281759198 945838992 /nfs/dbraw/zinc/83/89/92/945838992.db2.gz RNZLRMPBIBPQSF-UHFFFAOYSA-N 1 0 355.463 3.958 20 30 FHEDRO C=CCCC1(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000475448397 945867237 /nfs/dbraw/zinc/86/72/37/945867237.db2.gz JSLGDJHMHZNWQN-MRXNPFEDSA-N 1 0 359.489 3.501 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000519923676 945901991 /nfs/dbraw/zinc/90/19/91/945901991.db2.gz FZKKQKNQWWKUIG-OALUTQOASA-N 1 0 370.541 3.989 20 30 FHEDRO COc1cc(C[NH2+]CC2(c3ccccc3C)CCOCC2)ccc1C#N ZINC000440802733 945926256 /nfs/dbraw/zinc/92/62/56/945926256.db2.gz ARRSZRBFARKSFQ-UHFFFAOYSA-N 1 0 350.462 3.713 20 30 FHEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000121301560 945929078 /nfs/dbraw/zinc/92/90/78/945929078.db2.gz IDVHNLDYEGVFGL-CQSZACIVSA-N 1 0 360.479 3.531 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000473689839 945961562 /nfs/dbraw/zinc/96/15/62/945961562.db2.gz JBOPLIZZRKLCHW-JOCHJYFZSA-N 1 0 358.526 3.586 20 30 FHEDRO C=CCn1c(CC2CC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508466548 946043514 /nfs/dbraw/zinc/04/35/14/946043514.db2.gz VBPLZHSALBJURV-IBGZPJMESA-N 1 0 357.546 3.509 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCOC2(CCCCC2)C1 ZINC000444187488 946047440 /nfs/dbraw/zinc/04/74/40/946047440.db2.gz APVZYJZAUHZCEJ-QGZVFWFLSA-N 1 0 362.539 3.686 20 30 FHEDRO C=CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000661383207 946049135 /nfs/dbraw/zinc/04/91/35/946049135.db2.gz ZIUNEFVWGCSTFM-CQSZACIVSA-N 1 0 366.889 3.974 20 30 FHEDRO C=CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000661377780 946051556 /nfs/dbraw/zinc/05/15/56/946051556.db2.gz VCHHFWGVPVDPDZ-NSHDSACASA-N 1 0 352.232 3.880 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCC[NH2+]1 ZINC000662823622 946063554 /nfs/dbraw/zinc/06/35/54/946063554.db2.gz RSMXEVHARMBODF-KRWDZBQOSA-N 1 0 364.371 3.528 20 30 FHEDRO CC1(C)[C@H](NC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)[C@H]2CCCO[C@H]21 ZINC000262408450 946068696 /nfs/dbraw/zinc/06/86/96/946068696.db2.gz WYHKUEFAYCPXAQ-MGPQQGTHSA-N 1 0 357.376 3.515 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCc2cc(C)nc(N3CCCC3)c2)cc1Cl ZINC000262417244 946165042 /nfs/dbraw/zinc/16/50/42/946165042.db2.gz ZMDIAGYNOCEPPL-UHFFFAOYSA-N 1 0 373.888 3.579 20 30 FHEDRO CSC[C@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925097098 946224513 /nfs/dbraw/zinc/22/45/13/946224513.db2.gz QELMMJCHAMWQRB-GJZGRUSLSA-N 1 0 355.548 3.647 20 30 FHEDRO CS[C@H]1CCCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000441137685 946250512 /nfs/dbraw/zinc/25/05/12/946250512.db2.gz YVQHJNLBTCHTNT-IBGZPJMESA-N 1 0 359.539 3.768 20 30 FHEDRO C=CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000661570535 946286405 /nfs/dbraw/zinc/28/64/05/946286405.db2.gz GYKCZMUZEOZTRG-RDJZCZTQSA-N 1 0 369.431 3.964 20 30 FHEDRO C=CCCC1(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)CCCC1 ZINC000665587431 946308837 /nfs/dbraw/zinc/30/88/37/946308837.db2.gz PJFNREBFQOLPJD-UHFFFAOYSA-N 1 0 358.530 3.681 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2cc(OC)c(Br)cc2Cl)CCC[NH2+]1 ZINC000662917693 946361549 /nfs/dbraw/zinc/36/15/49/946361549.db2.gz BZRCCMJBLWPOSK-HNNXBMFYSA-N 1 0 373.678 3.748 20 30 FHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441263917 946371444 /nfs/dbraw/zinc/37/14/44/946371444.db2.gz ZUWMLMUNRKQQIW-KDOFPFPSSA-N 1 0 367.415 3.850 20 30 FHEDRO Cc1ccccc1C[N@@H+]1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000609669352 946374948 /nfs/dbraw/zinc/37/49/48/946374948.db2.gz OZWFQIYETXBHGP-UHFFFAOYSA-N 1 0 374.410 3.993 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NCCCOc2ccc3ccccc3c2)CC1 ZINC000475102419 946395232 /nfs/dbraw/zinc/39/52/32/946395232.db2.gz IDHNYUMBQIYZLS-UHFFFAOYSA-N 1 0 367.493 3.558 20 30 FHEDRO CC1(C)[C@H](NC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@@H]2CCCO[C@H]21 ZINC000262513104 946419547 /nfs/dbraw/zinc/41/95/47/946419547.db2.gz DWTTYYXAPUSCOH-BFHYXJOUSA-N 1 0 357.376 3.515 20 30 FHEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000441336192 946442957 /nfs/dbraw/zinc/44/29/57/946442957.db2.gz ZYXXJZKQXSWSJO-PUHATCMVSA-N 1 0 364.489 3.875 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000520349705 946461077 /nfs/dbraw/zinc/46/10/77/946461077.db2.gz LUJBNONGFDSPBO-OAQYLSRUSA-N 1 0 352.478 3.951 20 30 FHEDRO C=CCn1c([C@@H](C)CC)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508488244 946474201 /nfs/dbraw/zinc/47/42/01/946474201.db2.gz JAWVJWQWJQDPES-ICSRJNTNSA-N 1 0 367.541 3.936 20 30 FHEDRO CN(C)c1ncccc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905294 946498806 /nfs/dbraw/zinc/49/88/06/946498806.db2.gz BINAQYCVBYOOLT-UHFFFAOYSA-N 1 0 372.472 3.888 20 30 FHEDRO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)C(C)(C)C ZINC000661756304 946584136 /nfs/dbraw/zinc/58/41/36/946584136.db2.gz JJWGJJLZTFVDOZ-GOSISDBHSA-N 1 0 360.498 3.654 20 30 FHEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000121393271 946656022 /nfs/dbraw/zinc/65/60/22/946656022.db2.gz XGOIYIIXTWSJHK-QAPCUYQASA-N 1 0 351.425 3.904 20 30 FHEDRO C=CCc1cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc(OC)c1OC ZINC000303681903 946656199 /nfs/dbraw/zinc/65/61/99/946656199.db2.gz KLKUAGCYDQUBQF-GOSISDBHSA-N 1 0 362.514 3.529 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)CC(C)(C)C)c1=S ZINC000738099025 946687669 /nfs/dbraw/zinc/68/76/69/946687669.db2.gz MZWZDOKDOORCFK-UHFFFAOYSA-N 1 0 365.591 3.564 20 30 FHEDRO C#CCOc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)cc1 ZINC000303856241 946714802 /nfs/dbraw/zinc/71/48/02/946714802.db2.gz GMDUPXLQESYJEW-IBGZPJMESA-N 1 0 356.491 3.573 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCCOc2cccc(Cl)c2)cc1Cl ZINC000303898242 946728814 /nfs/dbraw/zinc/72/88/14/946728814.db2.gz VLABAERUEVMUKG-UHFFFAOYSA-N 1 0 354.237 3.808 20 30 FHEDRO Cc1ccc(CCC[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 ZINC000475212951 946730618 /nfs/dbraw/zinc/73/06/18/946730618.db2.gz WCQHZZXLDYPRJD-UHFFFAOYSA-N 1 0 354.885 3.670 20 30 FHEDRO C=CCC(CC=C)C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000123239804 946747981 /nfs/dbraw/zinc/74/79/81/946747981.db2.gz QNJHRSKTKYALPA-LJQANCHMSA-N 1 0 354.494 3.859 20 30 FHEDRO C=CCC1([NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CCCC1 ZINC000661850215 946755868 /nfs/dbraw/zinc/75/58/68/946755868.db2.gz TXIYLMREIRKXSB-UHFFFAOYSA-N 1 0 364.873 3.918 20 30 FHEDRO C=CCC1([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000661850832 946757094 /nfs/dbraw/zinc/75/70/94/946757094.db2.gz KQXWHZQKMACZJH-UHFFFAOYSA-N 1 0 372.328 3.701 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)CCCC1 ZINC000661850070 946757363 /nfs/dbraw/zinc/75/73/63/946757363.db2.gz JPAHIWBEVWJTMF-IBGZPJMESA-N 1 0 372.509 3.846 20 30 FHEDRO [NH2+]=C(NCc1ccccc1OC1CCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262531449 946785293 /nfs/dbraw/zinc/78/52/93/946785293.db2.gz NRLVABQMHLSHMK-UHFFFAOYSA-N 1 0 367.449 3.706 20 30 FHEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCC1CCN(CC(F)(F)F)CC1 ZINC000304810161 946795882 /nfs/dbraw/zinc/79/58/82/946795882.db2.gz WDINMTAYAXDZGS-HNNXBMFYSA-N 1 0 364.500 3.770 20 30 FHEDRO [NH2+]=C(NCC1(Cc2ccccc2)CCC1)Nc1ccc2c(c1)OCCCO2 ZINC000304977243 946800408 /nfs/dbraw/zinc/80/04/08/946800408.db2.gz BLARATVUHIKSSH-UHFFFAOYSA-N 1 0 365.477 3.988 20 30 FHEDRO C=CCn1c(SCC[C@@H]2CCC[N@H+]2C)nc2sc(C)c(C)c2c1=O ZINC000432235187 946801433 /nfs/dbraw/zinc/80/14/33/946801433.db2.gz YQOQWQAYQDQBGM-AWEZNQCLSA-N 1 0 363.552 3.837 20 30 FHEDRO C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N(C)c1ccccc1 ZINC000305251497 946839340 /nfs/dbraw/zinc/83/93/40/946839340.db2.gz VELPFTKGLDYJDN-CYBMUJFWSA-N 1 0 366.387 3.837 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NCCc2cccc(-c3ccccc3)c2)CC1 ZINC000473959232 946883372 /nfs/dbraw/zinc/88/33/72/946883372.db2.gz NKFHKTJDUMZBIL-UHFFFAOYSA-N 1 0 363.505 3.846 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(F)c1C#N)c1cccc(OC)c1 ZINC000186325264 946913507 /nfs/dbraw/zinc/91/35/07/946913507.db2.gz ZNUJYUGGDYZQRZ-HXUWFJFHSA-N 1 0 369.440 3.519 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)C12CCCC2 ZINC000328648093 946963739 /nfs/dbraw/zinc/96/37/39/946963739.db2.gz HXDJVFGLFQLJMV-NZSAHSFTSA-N 1 0 358.482 3.794 20 30 FHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 ZINC000328648994 946965023 /nfs/dbraw/zinc/96/50/23/946965023.db2.gz AMXAOTLLQLRFJR-PBHICJAKSA-N 1 0 363.477 3.663 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)NC(=O)NC1CCCCC1 ZINC000328657904 946968291 /nfs/dbraw/zinc/96/82/91/946968291.db2.gz PZRWALHFCCESSI-GOEBONIOSA-N 1 0 351.491 3.517 20 30 FHEDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cccc(-n2cncn2)c1 ZINC000328723145 946982207 /nfs/dbraw/zinc/98/22/07/946982207.db2.gz SFJWJEBETFAKRL-UHFFFAOYSA-N 1 0 367.497 3.618 20 30 FHEDRO Cn1c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2nc1C(F)F ZINC000328678190 946983908 /nfs/dbraw/zinc/98/39/08/946983908.db2.gz SQKNRRDTPNZNQM-CYBMUJFWSA-N 1 0 362.424 3.832 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)c2cn3c(n2)CCCC3)[NH+]2CCCC2)cc1 ZINC000328698253 946993520 /nfs/dbraw/zinc/99/35/20/946993520.db2.gz HMGBBVWCOHSMDW-IBGZPJMESA-N 1 0 352.482 3.670 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000475382931 946994151 /nfs/dbraw/zinc/99/41/51/946994151.db2.gz XIMDUZQJUVETJL-HLIPFELVSA-N 1 0 353.510 3.965 20 30 FHEDRO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)sc1C ZINC000328753172 947010918 /nfs/dbraw/zinc/01/09/18/947010918.db2.gz SDQFDRCGWWJJEW-UOJCXKCYSA-N 1 0 365.543 3.863 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000328754954 947012344 /nfs/dbraw/zinc/01/23/44/947012344.db2.gz DXWZWUIWUIMCGW-LAUBAEHRSA-N 1 0 372.513 3.612 20 30 FHEDRO CCc1ccccc1NC(=O)CN1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444594184 947019596 /nfs/dbraw/zinc/01/95/96/947019596.db2.gz HEAKOOZPNULLJA-UHFFFAOYSA-N 1 0 370.541 3.525 20 30 FHEDRO CCN1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000328773217 947021440 /nfs/dbraw/zinc/02/14/40/947021440.db2.gz DOKVYULLLWUEDA-JJRVBVJISA-N 1 0 369.387 3.705 20 30 FHEDRO C[C@H](NC(=O)CN1CCC[C@H]2C(=O)NC[C@H]21)c1cccc2ccccc21 ZINC000328773818 947022180 /nfs/dbraw/zinc/02/21/80/947022180.db2.gz HMDROZIGRAZYMF-GDIGMMSISA-N 1 0 351.450 3.908 20 30 FHEDRO CCN1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000328773218 947022221 /nfs/dbraw/zinc/02/22/21/947022221.db2.gz DOKVYULLLWUEDA-VBQJREDUSA-N 1 0 369.387 3.705 20 30 FHEDRO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328807665 947029713 /nfs/dbraw/zinc/02/97/13/947029713.db2.gz MFFSGSVWPLCWGR-OBZTUIKSSA-N 1 0 374.525 3.650 20 30 FHEDRO C[C@H](CN1CCOCC1)[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444617100 947034142 /nfs/dbraw/zinc/03/41/42/947034142.db2.gz DSIGQKXHZCLNEP-HXUWFJFHSA-N 1 0 357.542 3.929 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000432269205 947034890 /nfs/dbraw/zinc/03/48/90/947034890.db2.gz IYWJWMXZEBUHCD-FQEVSTJZSA-N 1 0 362.477 3.995 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000432269206 947035108 /nfs/dbraw/zinc/03/51/08/947035108.db2.gz IYWJWMXZEBUHCD-HXUWFJFHSA-N 1 0 362.477 3.995 20 30 FHEDRO N#CC1(CCC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CCOCC1 ZINC000281996541 947038462 /nfs/dbraw/zinc/03/84/62/947038462.db2.gz NDWOZORGIZTJHA-UHFFFAOYSA-N 1 0 352.482 3.843 20 30 FHEDRO O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CCCC(=O)N1 ZINC000328821318 947038645 /nfs/dbraw/zinc/03/86/45/947038645.db2.gz RDBTWEWTDACCKQ-GDBMZVCRSA-N 1 0 367.852 3.909 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000328826185 947041796 /nfs/dbraw/zinc/04/17/96/947041796.db2.gz QFMATXKGRDHHCZ-DDBAPUKQSA-N 1 0 374.481 3.655 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000328826043 947042027 /nfs/dbraw/zinc/04/20/27/947042027.db2.gz QCGJCWUINSXONW-GOEBONIOSA-N 1 0 358.486 3.538 20 30 FHEDRO N#CC(CC[N@H+]1CCCC[C@H]1CC(N)=O)(c1ccccc1)c1ccccc1 ZINC000444619676 947051644 /nfs/dbraw/zinc/05/16/44/947051644.db2.gz KSEMJBIIFYUBOC-NRFANRHFSA-N 1 0 361.489 3.616 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)[C@@]2(C)CCC(=O)NC2)CCOCC1)c1ccccc1 ZINC000328837602 947058791 /nfs/dbraw/zinc/05/87/91/947058791.db2.gz TUVSNMILASGUJQ-JXFKEZNVSA-N 1 0 373.497 3.600 20 30 FHEDRO CC[NH+]1CCC(CCNC(=O)c2sc([C@@H]3CCCOC3)nc2C)CC1 ZINC000328855031 947066853 /nfs/dbraw/zinc/06/68/53/947066853.db2.gz WSNLUQVKIFQXLN-MRXNPFEDSA-N 1 0 365.543 3.772 20 30 FHEDRO COc1cc(OC)cc(N2CCC[N@H+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444647293 947067772 /nfs/dbraw/zinc/06/77/72/947067772.db2.gz KYIWZUXRIVAYST-UHFFFAOYSA-N 1 0 359.514 3.936 20 30 FHEDRO C=CCN1CC[C@@H]([NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)C1=O ZINC000328857528 947067861 /nfs/dbraw/zinc/06/78/61/947067861.db2.gz YDRDBBOMJBMUIG-QZTJIDSGSA-N 1 0 373.884 3.524 20 30 FHEDRO Cc1cccc2c(CCNC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)c[nH]c21 ZINC000328879812 947080036 /nfs/dbraw/zinc/08/00/36/947080036.db2.gz VKXJCTZRSBDRJX-IBGZPJMESA-N 1 0 368.525 3.597 20 30 FHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000328890712 947084291 /nfs/dbraw/zinc/08/42/91/947084291.db2.gz RYDBRQUQUKRTOA-LSDHHAIUSA-N 1 0 351.516 3.525 20 30 FHEDRO COc1cc(CN2CC[NH+](CCCCC(C)(C)C#N)CC2)cc(OC)c1 ZINC000444642328 947084793 /nfs/dbraw/zinc/08/47/93/947084793.db2.gz TYERWZVBZVEOHG-UHFFFAOYSA-N 1 0 359.514 3.541 20 30 FHEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328947023 947097607 /nfs/dbraw/zinc/09/76/07/947097607.db2.gz VRKPICOZZDMSIS-UXHICEINSA-N 1 0 370.472 3.754 20 30 FHEDRO CC(C)(C)[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000328918183 947107322 /nfs/dbraw/zinc/10/73/22/947107322.db2.gz LBQSQZOGFMFGKB-AABGKKOBSA-N 1 0 373.541 3.921 20 30 FHEDRO CCC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000328916682 947107801 /nfs/dbraw/zinc/10/78/01/947107801.db2.gz APDQKIAOBKBPKM-FQEVSTJZSA-N 1 0 371.525 3.920 20 30 FHEDRO CCO[C@H]1COCC[C@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444685055 947108157 /nfs/dbraw/zinc/10/81/57/947108157.db2.gz MRQKSPOKZZFNOX-YADHBBJMSA-N 1 0 364.489 3.670 20 30 FHEDRO C[C@@H]1C[C@H](C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CCC1=O ZINC000328923600 947110568 /nfs/dbraw/zinc/11/05/68/947110568.db2.gz NDMZNKRULBJKGZ-NUJGCVRESA-N 1 0 370.493 3.936 20 30 FHEDRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000328969749 947128283 /nfs/dbraw/zinc/12/82/83/947128283.db2.gz UNCBVWWMNALNDM-BKTGTZMESA-N 1 0 366.452 3.793 20 30 FHEDRO CC(C)OC[C@@H](CO)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444709578 947137980 /nfs/dbraw/zinc/13/79/80/947137980.db2.gz SWHDSFDSWPOMDJ-JOCHJYFZSA-N 1 0 366.505 3.604 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)C[C@@H]1C ZINC000330501566 947203283 /nfs/dbraw/zinc/20/32/83/947203283.db2.gz UXLKYNHQAJYIEN-KBPBESRZSA-N 1 0 371.476 3.827 20 30 FHEDRO CCN(C)C(=O)c1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000330606665 947215245 /nfs/dbraw/zinc/21/52/45/947215245.db2.gz OEUHDFQZJVLXFS-MRXNPFEDSA-N 1 0 359.514 3.594 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)C[C@@H]1C ZINC000330804387 947278284 /nfs/dbraw/zinc/27/82/84/947278284.db2.gz KHMGAULBIXGKOJ-SWLSCSKDSA-N 1 0 351.878 3.893 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)N(C)C)c2)C1 ZINC000330862557 947287271 /nfs/dbraw/zinc/28/72/71/947287271.db2.gz SSMNTRGLXNVZQY-MRXNPFEDSA-N 1 0 374.529 3.999 20 30 FHEDRO CC(C)NC(=O)Nc1ccccc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000330866859 947288554 /nfs/dbraw/zinc/28/85/54/947288554.db2.gz CXWHFWXBALFZLY-UHFFFAOYSA-N 1 0 360.502 3.872 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000523491395 947308365 /nfs/dbraw/zinc/30/83/65/947308365.db2.gz LXWOSEBKVJRNFR-UHFFFAOYSA-N 1 0 370.415 3.684 20 30 FHEDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)s2)c2ccc(F)cc2C1 ZINC000184526679 947312815 /nfs/dbraw/zinc/31/28/15/947312815.db2.gz HHWUVMJADIIHII-SGTLLEGYSA-N 1 0 357.454 3.903 20 30 FHEDRO C=CCn1c(C2CCC2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC000508510881 947313933 /nfs/dbraw/zinc/31/39/33/947313933.db2.gz SFMOKTKGRLNWGI-OAHLLOKOSA-N 1 0 357.527 3.676 20 30 FHEDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330932179 947322787 /nfs/dbraw/zinc/32/27/87/947322787.db2.gz XEVBDOOMDJKZLE-DGCLKSJQSA-N 1 0 360.424 3.690 20 30 FHEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)CCOCC1 ZINC000599331729 947325421 /nfs/dbraw/zinc/32/54/21/947325421.db2.gz LGUDZSKLTMKDEN-APWZRJJASA-N 1 0 364.436 3.563 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000331170544 947362733 /nfs/dbraw/zinc/36/27/33/947362733.db2.gz JHDQWFKSEUQVKX-UHFFFAOYSA-N 1 0 370.247 3.536 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000331269906 947374228 /nfs/dbraw/zinc/37/42/28/947374228.db2.gz ACGSYXQHBJGKDG-CYBMUJFWSA-N 1 0 374.407 3.642 20 30 FHEDRO Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000331281280 947376394 /nfs/dbraw/zinc/37/63/94/947376394.db2.gz ILSRWTWIULRQJQ-MRXNPFEDSA-N 1 0 374.529 3.533 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C ZINC000331284159 947377046 /nfs/dbraw/zinc/37/70/46/947377046.db2.gz KLIRDWFQXYUFOR-TZMCWYRMSA-N 1 0 366.412 3.510 20 30 FHEDRO Cc1ccc(Cl)c(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1C ZINC000331248168 947380751 /nfs/dbraw/zinc/38/07/51/947380751.db2.gz QXKRJQLKQUZYHV-HNNXBMFYSA-N 1 0 353.894 3.640 20 30 FHEDRO Cc1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1OC(C)C ZINC000331294720 947391490 /nfs/dbraw/zinc/39/14/90/947391490.db2.gz RLCDVTLNNCXOOQ-GOSISDBHSA-N 1 0 351.516 3.545 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000441441286 947420524 /nfs/dbraw/zinc/42/05/24/947420524.db2.gz BGQMOXVESHTQRM-LEWJYISDSA-N 1 0 359.510 3.578 20 30 FHEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[NH+](C2CCC2)CC1 ZINC000440653290 947507150 /nfs/dbraw/zinc/50/71/50/947507150.db2.gz IIOLJOSUJVWUFI-UHFFFAOYSA-N 1 0 371.282 3.543 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(F)cc(Cl)c1 ZINC001573341806 947535089 /nfs/dbraw/zinc/53/50/89/947535089.db2.gz QMSFSYZNAMZFHP-UHFFFAOYSA-N 1 0 357.820 3.847 20 30 FHEDRO CC(C)=CCC[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000458965928 947538855 /nfs/dbraw/zinc/53/88/55/947538855.db2.gz CITQBAQYNRIXHI-SFHVURJKSA-N 1 0 356.514 3.766 20 30 FHEDRO CC(C)[C@@H]1OCCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160721075 947550531 /nfs/dbraw/zinc/55/05/31/947550531.db2.gz PCGJYXNVUZHUSC-WFASDCNBSA-N 1 0 359.392 3.763 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000189279178 947669287 /nfs/dbraw/zinc/66/92/87/947669287.db2.gz SYBQASXZCYTWAU-UHFFFAOYSA-N 1 0 364.902 3.562 20 30 FHEDRO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1)CC(C)C ZINC000459005840 947796505 /nfs/dbraw/zinc/79/65/05/947796505.db2.gz IHZNMEXQSXKMCR-PMACEKPBSA-N 1 0 362.562 3.858 20 30 FHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189813463 947842494 /nfs/dbraw/zinc/84/24/94/947842494.db2.gz BOQBRBIMADFRDZ-UHFFFAOYSA-N 1 0 355.482 3.740 20 30 FHEDRO C=CCC[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000190031562 947912348 /nfs/dbraw/zinc/91/23/48/947912348.db2.gz WMAHUMKKZXVAJF-QFIPXVFZSA-N 1 0 370.537 3.840 20 30 FHEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c(OC(F)F)c1 ZINC000549613107 948022793 /nfs/dbraw/zinc/02/27/93/948022793.db2.gz KQHZXFDSSSSBST-IBGZPJMESA-N 1 0 372.415 3.933 20 30 FHEDRO CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(C#N)cc1 ZINC000278895010 948023189 /nfs/dbraw/zinc/02/31/89/948023189.db2.gz YVYNFRLMCAIFOA-KRWDZBQOSA-N 1 0 362.882 3.856 20 30 FHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1Cl ZINC000066971328 948107888 /nfs/dbraw/zinc/10/78/88/948107888.db2.gz ORRLVFHZZQYFAH-UHFFFAOYSA-N 1 0 368.868 3.834 20 30 FHEDRO CC(C)([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(Br)cc1 ZINC000585766938 948277915 /nfs/dbraw/zinc/27/79/15/948277915.db2.gz MKNORJPIGBTRTP-UHFFFAOYSA-N 1 0 369.266 3.993 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2noc(-c3ccccc3F)c2C)CC1 ZINC000278960476 948339603 /nfs/dbraw/zinc/33/96/03/948339603.db2.gz NKSOBEBUXPXYHM-UHFFFAOYSA-N 1 0 372.444 3.951 20 30 FHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000182063558 948484180 /nfs/dbraw/zinc/48/41/80/948484180.db2.gz KSTUXVYJYOFHLP-GOSISDBHSA-N 1 0 363.461 3.907 20 30 FHEDRO COc1cccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC001167849966 948538209 /nfs/dbraw/zinc/53/82/09/948538209.db2.gz LZXASBCLFJTULT-INIZCTEOSA-N 1 0 363.461 3.522 20 30 FHEDRO C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000512146229 948555972 /nfs/dbraw/zinc/55/59/72/948555972.db2.gz GYSPZTYOXBZGGZ-INIZCTEOSA-N 1 0 356.466 3.740 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000520682570 948577643 /nfs/dbraw/zinc/57/76/43/948577643.db2.gz BNRAMRQGYYLLLS-UHFFFAOYSA-N 1 0 358.873 3.500 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccnc(Oc3ccccc3)c2)CC1 ZINC000520682767 948579649 /nfs/dbraw/zinc/57/96/49/948579649.db2.gz OARXHJBOEDUCMW-UHFFFAOYSA-N 1 0 351.450 3.644 20 30 FHEDRO CC[NH+](CC)CCCC1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000512163485 948600697 /nfs/dbraw/zinc/60/06/97/948600697.db2.gz GBLZZTCJKNJWRQ-UHFFFAOYSA-N 1 0 373.516 3.721 20 30 FHEDRO COc1cccc(C(=O)N2CCC([NH2+]C34CCC(C#N)(CC3)CC4)CC2)c1 ZINC001167854582 948642389 /nfs/dbraw/zinc/64/23/89/948642389.db2.gz GUWATRWKBKTLJE-UHFFFAOYSA-N 1 0 367.493 3.506 20 30 FHEDRO C=CCc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000107603339 948654441 /nfs/dbraw/zinc/65/44/41/948654441.db2.gz PZCHCQVIZBREPE-QGZVFWFLSA-N 1 0 374.525 3.817 20 30 FHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000520738725 948820641 /nfs/dbraw/zinc/82/06/41/948820641.db2.gz HQRNDHHPNMCYKU-UXHICEINSA-N 1 0 357.498 3.570 20 30 FHEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000109221234 210142322 /nfs/dbraw/zinc/14/23/22/210142322.db2.gz RDLIQEVSTFATCD-MRXNPFEDSA-N 1 0 357.454 3.590 20 30 FHEDRO CC(C)[NH+](CCn1c(S[C@@H](C)C#N)nc2ccccc2c1=O)C(C)C ZINC000005212024 210081590 /nfs/dbraw/zinc/08/15/90/210081590.db2.gz HCGZWWBRXZYQOA-HNNXBMFYSA-N 1 0 358.511 3.519 20 30 FHEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000481369630 567822090 /nfs/dbraw/zinc/82/20/90/567822090.db2.gz CAUKPAKSSCRPAN-ORAYPTAESA-N 1 0 357.841 3.516 20 30 FHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000481363702 567822575 /nfs/dbraw/zinc/82/25/75/567822575.db2.gz YPDDNGLZZRTHMA-LJQANCHMSA-N 1 0 365.452 3.583 20 30 FHEDRO COc1ccc(C#N)cc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091889002 567885871 /nfs/dbraw/zinc/88/58/71/567885871.db2.gz JYAJEFHSQWLSAW-UHFFFAOYSA-N 1 0 354.425 3.887 20 30 FHEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@]2(Cc3ccccc3)C=CCCC2)CCOCC1 ZINC000601965893 567889070 /nfs/dbraw/zinc/88/90/70/567889070.db2.gz BMTQVTILRGTGHF-FYYLOGMGSA-N 1 0 368.521 3.617 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967530 567889462 /nfs/dbraw/zinc/88/94/62/567889462.db2.gz GXMQPBNYIRNYPQ-UWVGGRQHSA-N 1 0 353.253 3.575 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967532 567889548 /nfs/dbraw/zinc/88/95/48/567889548.db2.gz GXMQPBNYIRNYPQ-ZJUUUORDSA-N 1 0 353.253 3.575 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000602490386 567986080 /nfs/dbraw/zinc/98/60/80/567986080.db2.gz IESZPMJXKNYSSO-KRWDZBQOSA-N 1 0 359.539 3.746 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000602526273 567987780 /nfs/dbraw/zinc/98/77/80/567987780.db2.gz GTXYCYHNMBXACL-YJBOKZPZSA-N 1 0 369.431 3.608 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000602531237 567988370 /nfs/dbraw/zinc/98/83/70/567988370.db2.gz GDLJMJADYPYNKX-KRWDZBQOSA-N 1 0 357.498 3.982 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000602533912 567992048 /nfs/dbraw/zinc/99/20/48/567992048.db2.gz QRAZHPKAIRDWDO-IAGOWNOFSA-N 1 0 361.917 3.855 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000602578993 567993474 /nfs/dbraw/zinc/99/34/74/567993474.db2.gz QKFIAHUVTIDOHA-TUAOUCFPSA-N 1 0 374.432 3.939 20 30 FHEDRO N#CCCCC[C@H]([NH3+])C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000602594134 567995613 /nfs/dbraw/zinc/99/56/13/567995613.db2.gz SFMAJWYKILLESS-INIZCTEOSA-N 1 0 353.388 3.860 20 30 FHEDRO CN1CC[C@@H]([NH2+]CC(C)(C)C#N)C[C@@H]1c1ccc(Br)cc1 ZINC000602617657 567998179 /nfs/dbraw/zinc/99/81/79/567998179.db2.gz YRTFUQFZTQQVRH-HZPDHXFCSA-N 1 0 350.304 3.724 20 30 FHEDRO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C)N1CC#N ZINC000602853403 568001801 /nfs/dbraw/zinc/00/18/01/568001801.db2.gz IHTITUNGAJQSQU-OYRHEFFESA-N 1 0 372.516 3.805 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000602641431 568003172 /nfs/dbraw/zinc/00/31/72/568003172.db2.gz RKRFCORCWDNHDQ-GFCCVEGCSA-N 1 0 371.359 3.802 20 30 FHEDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]C1CCC(C#N)CC1 ZINC000602680674 568009842 /nfs/dbraw/zinc/00/98/42/568009842.db2.gz FULTXMAIUGLBQQ-ISXOHVOVSA-N 1 0 365.315 3.581 20 30 FHEDRO CN(C(=O)Nc1cccc2c1CN(c1ccccn1)C2)[C@@H]1CCC[C@H]1C#N ZINC000602916602 568012205 /nfs/dbraw/zinc/01/22/05/568012205.db2.gz NZJNXABBHRVVJC-HNAYVOBHSA-N 1 0 361.449 3.758 20 30 FHEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000602917342 568012470 /nfs/dbraw/zinc/01/24/70/568012470.db2.gz DPQFPBLKSOBFHJ-SFTDATJTSA-N 1 0 352.478 3.523 20 30 FHEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000602917333 568012508 /nfs/dbraw/zinc/01/25/08/568012508.db2.gz DPQFPBLKSOBFHJ-LEWJYISDSA-N 1 0 352.478 3.523 20 30 FHEDRO C=CCCC[C@H](C)[NH+]1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 ZINC000602968521 568025673 /nfs/dbraw/zinc/02/56/73/568025673.db2.gz IHPNQYBBJAMFDD-ZDUSSCGKSA-N 1 0 370.444 3.774 20 30 FHEDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 ZINC000602953639 568028404 /nfs/dbraw/zinc/02/84/04/568028404.db2.gz AFEQUBLQVNEBJA-QWHCGFSZSA-N 1 0 374.535 3.993 20 30 FHEDRO CCc1nnc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c(C#N)c1CC ZINC000568497776 568037426 /nfs/dbraw/zinc/03/74/26/568037426.db2.gz NZFBPVRJYRBTHN-SFHVURJKSA-N 1 0 351.454 3.602 20 30 FHEDRO C=CCN(CCc1ccccc1)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000065959656 568063877 /nfs/dbraw/zinc/06/38/77/568063877.db2.gz SGSSDMMKGWKJSH-UHFFFAOYSA-N 1 0 365.477 3.682 20 30 FHEDRO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000481617131 568071175 /nfs/dbraw/zinc/07/11/75/568071175.db2.gz YRRPLHWCQPTNOG-QGZVFWFLSA-N 1 0 361.489 3.962 20 30 FHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000481713903 568093933 /nfs/dbraw/zinc/09/39/33/568093933.db2.gz RQJVMFHUQJUFHJ-UHFFFAOYSA-N 1 0 354.429 3.861 20 30 FHEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)N1CC[NH+](C2CCC2)CC1 ZINC000603562573 568118687 /nfs/dbraw/zinc/11/86/87/568118687.db2.gz ZQIZDKKHPIZIAZ-UHFFFAOYSA-N 1 0 365.502 3.850 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000181889659 568121051 /nfs/dbraw/zinc/12/10/51/568121051.db2.gz OBISNJUTWASSCY-WMZOPIPTSA-N 1 0 365.477 3.753 20 30 FHEDRO CC(C)OCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000568688687 568123192 /nfs/dbraw/zinc/12/31/92/568123192.db2.gz VQVMEUDZJMRRLP-UHFFFAOYSA-N 1 0 363.527 3.574 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000568742917 568146456 /nfs/dbraw/zinc/14/64/56/568146456.db2.gz ZVPQMNIDZDUAKC-FPOVZHCZSA-N 1 0 368.502 3.505 20 30 FHEDRO N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000481897735 568153962 /nfs/dbraw/zinc/15/39/62/568153962.db2.gz UMZVAKVCGVUEGA-HKUYNNGSSA-N 1 0 365.502 3.746 20 30 FHEDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181914251 568195513 /nfs/dbraw/zinc/19/55/13/568195513.db2.gz GBXIQKXBNAITAD-OXQOHEQNSA-N 1 0 369.534 3.686 20 30 FHEDRO Cc1cccc(Cn2c3c(cc(C#N)c2=O)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000569002143 568262968 /nfs/dbraw/zinc/26/29/68/568262968.db2.gz YWYXVUIXMGCMIV-UHFFFAOYSA-N 1 0 369.468 3.635 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000482140115 568287965 /nfs/dbraw/zinc/28/79/65/568287965.db2.gz QQNNKMGHQOQDKB-KBRIMQKVSA-N 1 0 361.486 3.669 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+]C3(Cc4ccc(Cl)cc4)CCC3)cnc12 ZINC000563151556 568302652 /nfs/dbraw/zinc/30/26/52/568302652.db2.gz YPKSXVNISDRMFE-UHFFFAOYSA-N 1 0 351.841 3.509 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000604765092 568361780 /nfs/dbraw/zinc/36/17/80/568361780.db2.gz ADDIWLDCAGJGHW-OALUTQOASA-N 1 0 365.395 3.876 20 30 FHEDRO N#CCC[C@H](C#N)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032514624 568393767 /nfs/dbraw/zinc/39/37/67/568393767.db2.gz AJCXYYZRPCAJKE-HXUWFJFHSA-N 1 0 358.489 3.837 20 30 FHEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(C#N)cc1OC ZINC000570006064 568449327 /nfs/dbraw/zinc/44/93/27/568449327.db2.gz XGOQMPLFVGPBEL-UHFFFAOYSA-N 1 0 358.486 3.687 20 30 FHEDRO CC(C)(C)OC1CC([NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)C1 ZINC000570122964 568452402 /nfs/dbraw/zinc/45/24/02/568452402.db2.gz LPNYDAQLWZLLHI-UHFFFAOYSA-N 1 0 364.493 3.575 20 30 FHEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000570461261 568478298 /nfs/dbraw/zinc/47/82/98/568478298.db2.gz ROABGICVCREJLL-LJQANCHMSA-N 1 0 350.422 3.558 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1 ZINC000826384766 608311248 /nfs/dbraw/zinc/31/12/48/608311248.db2.gz ITDGWKUNGABHNH-UHFFFAOYSA-N 1 0 366.428 3.695 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccnc2ccccc12 ZINC000823914804 608631888 /nfs/dbraw/zinc/63/18/88/608631888.db2.gz NUFIWIPFWZQCKH-UHFFFAOYSA-N 1 0 356.433 3.603 20 30 FHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164421291 718892210 /nfs/dbraw/zinc/89/22/10/718892210.db2.gz WUXCCYJGDFMLKQ-OAHLLOKOSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@@H]43)cnc2Cl)c1 ZINC001164447593 719003516 /nfs/dbraw/zinc/00/35/16/719003516.db2.gz CNFIPNHVHVIEJG-IRXDYDNUSA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1Cl ZINC001164624364 719059166 /nfs/dbraw/zinc/05/91/66/719059166.db2.gz LJYHVLBHCAMJBC-VQIMIIECSA-N 1 0 352.869 3.707 20 30 FHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C#N)cc(C)n2)CC3)cs1 ZINC001164692051 719815009 /nfs/dbraw/zinc/81/50/09/719815009.db2.gz KZCJBSYGAWEVMS-UHFFFAOYSA-N 1 0 367.522 3.662 20 30 FHEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4cnc(C#N)cn4)CC3)CC2)cc1 ZINC001164758712 721042605 /nfs/dbraw/zinc/04/26/05/721042605.db2.gz ATGAJBFFZAZQMQ-UHFFFAOYSA-N 1 0 361.493 3.539 20 30 FHEDRO CC[NH+](CC)C1CCN(c2ccc([C@@H](C#N)c3ccccc3F)nn2)CC1 ZINC001165053004 722004046 /nfs/dbraw/zinc/00/40/46/722004046.db2.gz GUMIGZAACVCQJD-SFHVURJKSA-N 1 0 367.472 3.582 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000582952306 936317842 /nfs/dbraw/zinc/31/78/42/936317842.db2.gz RNCJITDPRPOIMA-MRXNPFEDSA-N 1 0 364.449 3.862 20 30 FHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC001167642265 936324594 /nfs/dbraw/zinc/32/45/94/936324594.db2.gz VVHWGYGCZZTZFL-INIZCTEOSA-N 1 0 367.880 3.854 20 30 FHEDRO N#Cc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000582971025 936334801 /nfs/dbraw/zinc/33/48/01/936334801.db2.gz ZHCMGWOSUQTODG-KRWDZBQOSA-N 1 0 356.401 3.639 20 30 FHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)Cc3cccc(OCC#N)c3)c2C1 ZINC000162147232 936349366 /nfs/dbraw/zinc/34/93/66/936349366.db2.gz APIIPEGYXBXKST-UHFFFAOYSA-N 1 0 363.461 3.742 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000162188504 936353850 /nfs/dbraw/zinc/35/38/50/936353850.db2.gz WXSDUASOFUWFFH-UHFFFAOYSA-N 1 0 369.415 3.539 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000052075716 937088598 /nfs/dbraw/zinc/08/85/98/937088598.db2.gz PWHSCHOXUVDMHA-HXUWFJFHSA-N 1 0 370.880 3.810 20 30 FHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc2c(s1)CCC2 ZINC000583070444 937095057 /nfs/dbraw/zinc/09/50/57/937095057.db2.gz PTXMIKKMIMTAEE-LLVKDONJSA-N 1 0 374.897 3.836 20 30 FHEDRO C[C@@H]([NH2+]C1(CNC(=O)NCC(C)(C)CC#N)CCCC1)c1ccccc1 ZINC000458380570 937108795 /nfs/dbraw/zinc/10/87/95/937108795.db2.gz UQWOOJPQGOQEAV-QGZVFWFLSA-N 1 0 356.514 3.889 20 30 FHEDRO C=CCC1(NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CCCCC1 ZINC000458398524 937161758 /nfs/dbraw/zinc/16/17/58/937161758.db2.gz FIOFYOVJMDEHQF-RTBURBONSA-N 1 0 365.562 3.702 20 30 FHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)nc1 ZINC000430175583 927532394 /nfs/dbraw/zinc/53/23/94/927532394.db2.gz CUKYXMRRMZIXNU-OAQYLSRUSA-N 1 0 363.461 3.928 20 30 FHEDRO C[C@H]1C[C@@H](CCNC(=O)c2sccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000510069374 927633424 /nfs/dbraw/zinc/63/34/24/927633424.db2.gz FVHUESVADPSDKI-DOTOQJQBSA-N 1 0 353.491 3.650 20 30 FHEDRO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430185258 927651279 /nfs/dbraw/zinc/65/12/79/927651279.db2.gz GWBYJPNGKXFJLJ-KRWDZBQOSA-N 1 0 361.367 3.934 20 30 FHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000108970114 927816929 /nfs/dbraw/zinc/81/69/29/927816929.db2.gz QWMHFSHUFOBDAN-UHFFFAOYSA-N 1 0 369.509 3.781 20 30 FHEDRO CC[C@H](CC1CCCC1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000510081151 927900797 /nfs/dbraw/zinc/90/07/97/927900797.db2.gz HBHMYOINLBAKPQ-OAQYLSRUSA-N 1 0 353.510 3.809 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc2c(c1)CCCC2 ZINC000023677246 928037374 /nfs/dbraw/zinc/03/73/74/928037374.db2.gz LQJBRPIJZILGPF-VGSWGCGISA-N 1 0 364.489 3.722 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728196279 928055479 /nfs/dbraw/zinc/05/54/79/928055479.db2.gz NYWQAKGPSKIMFQ-IBGZPJMESA-N 1 0 368.452 3.796 20 30 FHEDRO CCOc1ccc(O)c(/C=N\C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000254912274 928148304 /nfs/dbraw/zinc/14/83/04/928148304.db2.gz LIGJUSPNUBKSSK-VBHMAFOESA-N 1 0 353.466 3.830 20 30 FHEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)s1 ZINC000610216511 928214236 /nfs/dbraw/zinc/21/42/36/928214236.db2.gz KXXWKSHOBJSRAL-NVXWUHKLSA-N 1 0 373.522 3.513 20 30 FHEDRO COc1ccc(C[C@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)cc1 ZINC000610217371 928230120 /nfs/dbraw/zinc/23/01/20/928230120.db2.gz XCQCYAIFXQVLKU-LJQANCHMSA-N 1 0 350.462 3.900 20 30 FHEDRO N#Cc1ccccc1/C=C\C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000254927760 928276471 /nfs/dbraw/zinc/27/64/71/928276471.db2.gz KZHTYFCFIRXCGD-KHPPLWFESA-N 1 0 359.473 3.600 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1 ZINC000579834095 928330538 /nfs/dbraw/zinc/33/05/38/928330538.db2.gz PGOLLBGHZWRLMU-LEWJYISDSA-N 1 0 362.477 3.689 20 30 FHEDRO C[N@@H+]1CCCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000097617061 928387811 /nfs/dbraw/zinc/38/78/11/928387811.db2.gz DTAPOIVLGVZFHV-UHFFFAOYSA-N 1 0 365.502 3.628 20 30 FHEDRO C[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000579843345 928399969 /nfs/dbraw/zinc/39/99/69/928399969.db2.gz CIRPAEDIEJXCAX-QGZVFWFLSA-N 1 0 364.449 3.563 20 30 FHEDRO CCN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544850002 928893944 /nfs/dbraw/zinc/89/39/44/928893944.db2.gz MGCCJYNNUNNHGO-IBGZPJMESA-N 1 0 367.880 3.948 20 30 FHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC001167086397 928925535 /nfs/dbraw/zinc/92/55/35/928925535.db2.gz ZLJJVKHZAYSJKQ-APWZRJJASA-N 1 0 356.853 3.788 20 30 FHEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000510132399 928939495 /nfs/dbraw/zinc/93/94/95/928939495.db2.gz KZLPHISEXHQKFF-HSZRJFAPSA-N 1 0 361.489 3.618 20 30 FHEDRO C=CCOc1cccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1 ZINC000179762064 929004817 /nfs/dbraw/zinc/00/48/17/929004817.db2.gz DIDNPKGHKUOBLB-UHFFFAOYSA-N 1 0 352.478 3.720 20 30 FHEDRO C=CCN(CC[NH+]1CCC(Oc2ccc(Cl)cc2)CC1)C(=O)OCC ZINC001209017854 929073199 /nfs/dbraw/zinc/07/31/99/929073199.db2.gz XXQDIWWMEVNHFE-UHFFFAOYSA-N 1 0 366.889 3.828 20 30 FHEDRO N#CCc1cccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000049732478 929179372 /nfs/dbraw/zinc/17/93/72/929179372.db2.gz QLHNFHHMLVGKLG-HXUWFJFHSA-N 1 0 367.880 3.973 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000246308810 929601284 /nfs/dbraw/zinc/60/12/84/929601284.db2.gz CICAMYLPDUTDQH-JKSUJKDBSA-N 1 0 358.461 3.816 20 30 FHEDRO CC(=O)Nc1ccc(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000578940924 929743653 /nfs/dbraw/zinc/74/36/53/929743653.db2.gz MWIMNRHEYGBYNN-UHFFFAOYSA-N 1 0 361.367 3.868 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000175789676 929818368 /nfs/dbraw/zinc/81/83/68/929818368.db2.gz AAMJCBUFHKIGMI-FQEVSTJZSA-N 1 0 362.477 3.995 20 30 FHEDRO C[C@@H]1CCC[C@H](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000134083316 929905685 /nfs/dbraw/zinc/90/56/85/929905685.db2.gz FAWXNKLKZBRTIH-NQIIRXRSSA-N 1 0 353.510 3.809 20 30 FHEDRO COc1cccc(C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]2CCCO2)c1 ZINC000135004773 929978117 /nfs/dbraw/zinc/97/81/17/929978117.db2.gz ZMHMQHZTKGLWTB-OAQYLSRUSA-N 1 0 366.461 3.757 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)c(O)c(OC)c1 ZINC000178863457 937376420 /nfs/dbraw/zinc/37/64/20/937376420.db2.gz NRMYLZZQSJPVDG-UHFFFAOYSA-N 1 0 366.461 3.646 20 30 FHEDRO CC(N=Nc1ncccc1C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000748133360 930012548 /nfs/dbraw/zinc/01/25/48/930012548.db2.gz KXYLRBKIDQZISS-UHFFFAOYSA-N 1 0 366.387 3.877 20 30 FHEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175857007 930024804 /nfs/dbraw/zinc/02/48/04/930024804.db2.gz AWNAWQOZLYOHDQ-ROUUACIJSA-N 1 0 362.539 3.617 20 30 FHEDRO C[C@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1cccc(C#N)c1 ZINC000610356972 930111640 /nfs/dbraw/zinc/11/16/40/930111640.db2.gz DJNYWLTXXCAOQW-GNZRSQJKSA-N 1 0 354.498 3.525 20 30 FHEDRO Cc1ccc(C(C)(C)C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000610370271 930170543 /nfs/dbraw/zinc/17/05/43/930170543.db2.gz YEXFFSVXXDBMRU-NRFANRHFSA-N 1 0 366.505 3.710 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C#N)cc1)c1ccsc1 ZINC000048981618 937395142 /nfs/dbraw/zinc/39/51/42/937395142.db2.gz XWPSWRFNHUDOJV-GOSISDBHSA-N 1 0 356.495 3.502 20 30 FHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000580074636 930211306 /nfs/dbraw/zinc/21/13/06/930211306.db2.gz CPQDXWOGONDYEG-HZPDHXFCSA-N 1 0 366.465 3.693 20 30 FHEDRO N#Cc1cc(Cl)cc(C(=O)N2CCCC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC001279107411 930342236 /nfs/dbraw/zinc/34/22/36/930342236.db2.gz OVWDIVIITUNBAF-UHFFFAOYSA-N 1 0 357.885 3.692 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000610400187 930367852 /nfs/dbraw/zinc/36/78/52/930367852.db2.gz QKEGCJPOWRVYCR-IERDGZPVSA-N 1 0 364.493 3.784 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000610400752 930372670 /nfs/dbraw/zinc/37/26/70/930372670.db2.gz QJMKEZPUKGBGFJ-PXNSSMCTSA-N 1 0 354.498 3.617 20 30 FHEDRO C=CCCCCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1 ZINC001167390991 930613092 /nfs/dbraw/zinc/61/30/92/930613092.db2.gz DVJDVTSOHBNUEB-IBGZPJMESA-N 1 0 358.526 3.907 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160505085 930694992 /nfs/dbraw/zinc/69/49/92/930694992.db2.gz DUUKSDRDCXQFMI-HKUYNNGSSA-N 1 0 365.562 3.795 20 30 FHEDRO COc1cccc([C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)N2CCCC2)c1 ZINC000579651918 930710302 /nfs/dbraw/zinc/71/03/02/930710302.db2.gz UDKZZRMCYSTBEG-XZOQPEGZSA-N 1 0 361.489 3.981 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000119146050 930748686 /nfs/dbraw/zinc/74/86/86/930748686.db2.gz YDZPLOWTJDKXBI-UHFFFAOYSA-N 1 0 361.489 3.647 20 30 FHEDRO COc1cc2nc(C)sc2cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328743069 930791954 /nfs/dbraw/zinc/79/19/54/930791954.db2.gz JWCBICRFBVOOJT-AWEZNQCLSA-N 1 0 374.510 3.719 20 30 FHEDRO COC(=O)CC[C@H](CC1CCCCC1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000579712188 930832297 /nfs/dbraw/zinc/83/22/97/930832297.db2.gz JXFWYUONQACDQP-GOSISDBHSA-N 1 0 368.481 3.588 20 30 FHEDRO CSc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(Cl)c2)[NH+](C)C)cc1 ZINC000579883014 931197151 /nfs/dbraw/zinc/19/71/51/931197151.db2.gz LOTDRRPIKUIPLA-GOSISDBHSA-N 1 0 373.909 3.966 20 30 FHEDRO C=C(C)[C@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(F)c(F)c1 ZINC000580822181 931202182 /nfs/dbraw/zinc/20/21/82/931202182.db2.gz KXJNJILBNWJQKT-KUHUBIRLSA-N 1 0 372.419 3.615 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000160697367 931365160 /nfs/dbraw/zinc/36/51/60/931365160.db2.gz DEOVXOFIYKHJQG-XMSQKQJNSA-N 1 0 362.473 3.713 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000160697013 931365189 /nfs/dbraw/zinc/36/51/89/931365189.db2.gz DEOVXOFIYKHJQG-AVRDEDQJSA-N 1 0 362.473 3.713 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000177894910 931521221 /nfs/dbraw/zinc/52/12/21/931521221.db2.gz CICAMYLPDUTDQH-CVEARBPZSA-N 1 0 358.461 3.816 20 30 FHEDRO N#Cc1cc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)ccc1F ZINC000160780689 931584556 /nfs/dbraw/zinc/58/45/56/931584556.db2.gz DGKFYCMNDVBFHA-LJQANCHMSA-N 1 0 366.440 3.874 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)cc1C#N ZINC000157807040 931735553 /nfs/dbraw/zinc/73/55/53/931735553.db2.gz XRCWLEJWKUARCC-UHFFFAOYSA-N 1 0 358.486 3.684 20 30 FHEDRO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000156981730 931757557 /nfs/dbraw/zinc/75/75/57/931757557.db2.gz PBIWVOLTVKYTOV-HSZRJFAPSA-N 1 0 358.489 3.916 20 30 FHEDRO C[NH+](C)CCCOC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000126348165 931758863 /nfs/dbraw/zinc/75/88/63/931758863.db2.gz QPKAMADVFRFLIJ-UHFFFAOYSA-N 1 0 355.404 3.514 20 30 FHEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(F)c(F)cc1OC)C2 ZINC001143390767 931771811 /nfs/dbraw/zinc/77/18/11/931771811.db2.gz ZZPHUKWGZRWBRR-WOJBJXKFSA-N 1 0 367.436 3.547 20 30 FHEDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000581337615 931853993 /nfs/dbraw/zinc/85/39/93/931853993.db2.gz RHSYSCMXCWSPJO-FQEVSTJZSA-N 1 0 372.472 3.860 20 30 FHEDRO C=CCCN(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276182850 932015652 /nfs/dbraw/zinc/01/56/52/932015652.db2.gz VTGLJAMUGMZLMR-WMLDXEAASA-N 1 0 353.869 3.689 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1cccc(C(F)F)c1)C(C)C ZINC000780851751 932018460 /nfs/dbraw/zinc/01/84/60/932018460.db2.gz DGLQNKDTHHGKLR-KRWDZBQOSA-N 1 0 372.481 3.601 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000581504478 932177998 /nfs/dbraw/zinc/17/79/98/932177998.db2.gz LXSUFMUWXFQJKZ-INIZCTEOSA-N 1 0 374.506 3.864 20 30 FHEDRO N#Cc1csc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000084180010 932207873 /nfs/dbraw/zinc/20/78/73/932207873.db2.gz QXQJJGVFCCLDPC-UHFFFAOYSA-N 1 0 359.882 3.668 20 30 FHEDRO N#Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCCC(F)(F)F)c(F)c1 ZINC001279226822 932219261 /nfs/dbraw/zinc/21/92/61/932219261.db2.gz QLRKZHGCFOGWDN-IRXDYDNUSA-N 1 0 355.379 3.688 20 30 FHEDRO CN(CCC#N)c1ccc(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000074230859 932255833 /nfs/dbraw/zinc/25/58/33/932255833.db2.gz YBWBUOWRVPEWMA-QHCPKHFHSA-N 1 0 362.521 3.963 20 30 FHEDRO CC[N@H+](Cc1ccc(C(=O)N(C)c2snc(C)c2C#N)cc1)C(C)C ZINC000891433514 932292481 /nfs/dbraw/zinc/29/24/81/932292481.db2.gz MGAAYSPHFZSGJV-UHFFFAOYSA-N 1 0 356.495 3.830 20 30 FHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000069751385 932320351 /nfs/dbraw/zinc/32/03/51/932320351.db2.gz NWXBFJKIEYRHIM-UHFFFAOYSA-N 1 0 356.441 3.517 20 30 FHEDRO C=C(C)COc1cccc(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000129695844 932363184 /nfs/dbraw/zinc/36/31/84/932363184.db2.gz DJMUUDWRMCJKCN-LJQANCHMSA-N 1 0 353.422 3.722 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+]2CCCC2)o1 ZINC000510446271 932434292 /nfs/dbraw/zinc/43/42/92/932434292.db2.gz WBDVHLYGLAZMEL-VQIMIIECSA-N 1 0 366.465 3.657 20 30 FHEDRO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000156334584 932438292 /nfs/dbraw/zinc/43/82/92/932438292.db2.gz VOPDHOGGGHYPBN-QFIPXVFZSA-N 1 0 350.462 3.520 20 30 FHEDRO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000156334722 932438786 /nfs/dbraw/zinc/43/87/86/932438786.db2.gz VOPDHOGGGHYPBN-JOCHJYFZSA-N 1 0 350.462 3.520 20 30 FHEDRO CCOc1cc2c(cc1NC(=O)N1CCC[C@H]([NH+]3CCCC3)C1)O[C@@H](C)C2 ZINC000328812339 932562916 /nfs/dbraw/zinc/56/29/16/932562916.db2.gz OUSGNIBQKZMKPM-RDJZCZTQSA-N 1 0 373.497 3.514 20 30 FHEDRO C=CCOCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000079296313 932581626 /nfs/dbraw/zinc/58/16/26/932581626.db2.gz HJJASYCPTOZKSV-KRWDZBQOSA-N 1 0 350.528 3.620 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000891500033 932662121 /nfs/dbraw/zinc/66/21/21/932662121.db2.gz RZMTXGODKPNHAD-QGZVFWFLSA-N 1 0 372.494 3.581 20 30 FHEDRO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000581828713 932704470 /nfs/dbraw/zinc/70/44/70/932704470.db2.gz NBAYOVDMIKHHJB-WOJBJXKFSA-N 1 0 360.461 3.884 20 30 FHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@H]1CCCC(=O)N1 ZINC000328826831 932756240 /nfs/dbraw/zinc/75/62/40/932756240.db2.gz SYCYIALHXDKNPB-QZTJIDSGSA-N 1 0 357.498 3.925 20 30 FHEDRO CC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1Cl ZINC000255384339 932967312 /nfs/dbraw/zinc/96/73/12/932967312.db2.gz QACZYQCSEDVHJG-VUAZUDAXSA-N 1 0 368.264 3.561 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CCCCOC)c2ccccc2)CC1 ZINC000471811074 932993399 /nfs/dbraw/zinc/99/33/99/932993399.db2.gz MZVBCHUBCLKLAO-OAQYLSRUSA-N 1 0 373.541 3.884 20 30 FHEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000135352326 933045310 /nfs/dbraw/zinc/04/53/10/933045310.db2.gz NUQYDBGHMDRLKZ-LPHOPBHVSA-N 1 0 365.481 3.583 20 30 FHEDRO CC[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000328870743 933061966 /nfs/dbraw/zinc/06/19/66/933061966.db2.gz DFMDLQTWDJMQCP-QQABJKMWSA-N 1 0 361.530 3.990 20 30 FHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CSc1ccc(C#N)cc1)[NH+](C)C ZINC000510549473 933213852 /nfs/dbraw/zinc/21/38/52/933213852.db2.gz RKGMVIUCNGPRJY-IIBYNOLFSA-N 1 0 367.518 3.766 20 30 FHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3Cc3ccc(F)cc3)o2)c1 ZINC000477746342 933300926 /nfs/dbraw/zinc/30/09/26/933300926.db2.gz MYZBHNOKXDUJDN-IBGZPJMESA-N 1 0 362.408 3.954 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CN1C(=O)CN([C@@H](C)c2ccccc2)C1=O)C(C)C ZINC000430906904 933391177 /nfs/dbraw/zinc/39/11/77/933391177.db2.gz OUQHWEOLVFTGJC-ICSRJNTNSA-N 1 0 369.509 3.710 20 30 FHEDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000328962021 933451267 /nfs/dbraw/zinc/45/12/67/933451267.db2.gz KXULUEOWOINHST-IVAOSVALSA-N 1 0 372.509 3.536 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000610605343 933512960 /nfs/dbraw/zinc/51/29/60/933512960.db2.gz YUMMBBXOWBGKLB-IFMALSPDSA-N 1 0 368.452 3.859 20 30 FHEDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000510722227 933522606 /nfs/dbraw/zinc/52/26/06/933522606.db2.gz VUPGRLMXENTWMW-CRAIPNDOSA-N 1 0 353.441 3.593 20 30 FHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610633488 933563129 /nfs/dbraw/zinc/56/31/29/933563129.db2.gz BCKXPKKUNDNASC-WOJBJXKFSA-N 1 0 372.432 3.571 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1 ZINC000091686927 933567212 /nfs/dbraw/zinc/56/72/12/933567212.db2.gz UYUGHSXKLKRJDQ-UHFFFAOYSA-N 1 0 365.477 3.806 20 30 FHEDRO C=CCOc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000510728974 933593033 /nfs/dbraw/zinc/59/30/33/933593033.db2.gz IWPTUEZSJRJDCB-QGZVFWFLSA-N 1 0 365.477 3.820 20 30 FHEDRO N#CC1CCC(CNC(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000891880928 933796824 /nfs/dbraw/zinc/79/68/24/933796824.db2.gz PMKVPBCAUBCPPK-QQGUTBHFSA-N 1 0 360.546 3.646 20 30 FHEDRO COc1ccc(F)c(F)c1CN1CCC(Oc2ccccc2C#N)CC1 ZINC001143413987 933914103 /nfs/dbraw/zinc/91/41/03/933914103.db2.gz XITAJNNNTPBHGO-UHFFFAOYSA-N 1 0 358.388 3.888 20 30 FHEDRO C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)CC(C)(C)CCC#N ZINC000092195922 933932046 /nfs/dbraw/zinc/93/20/46/933932046.db2.gz RTRZSSIQJHIVQF-CQSZACIVSA-N 1 0 358.404 3.707 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N(CC)CC)CC2)cc1Cl ZINC000092592582 934100691 /nfs/dbraw/zinc/10/06/91/934100691.db2.gz JJFCAGSPCYJAAJ-UHFFFAOYSA-N 1 0 364.917 3.985 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000247546277 934146829 /nfs/dbraw/zinc/14/68/29/934146829.db2.gz YKTJOVCZMMFTNV-RXVVDRJESA-N 1 0 367.518 3.752 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1OC ZINC000092754871 934166349 /nfs/dbraw/zinc/16/63/49/934166349.db2.gz FLNFCSOFSKOYDH-QGZVFWFLSA-N 1 0 374.525 3.633 20 30 FHEDRO CC(C)(CC#N)CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000458113276 934300441 /nfs/dbraw/zinc/30/04/41/934300441.db2.gz QSGJACZSJSVJHJ-UHFFFAOYSA-N 1 0 356.514 3.802 20 30 FHEDRO COc1ccc([C@H](C/N=C/c2cc(OC)ccc2O)[NH+]2CCCC2)cc1 ZINC000022768430 934362714 /nfs/dbraw/zinc/36/27/14/934362714.db2.gz DXHXRDUGPFXIRD-ISXGRJCASA-N 1 0 354.450 3.665 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(CCO)CC2)c1 ZINC000535782331 934371059 /nfs/dbraw/zinc/37/10/59/934371059.db2.gz JCZBXUUIWJJWKR-UHFFFAOYSA-N 1 0 350.462 3.732 20 30 FHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000535785158 934376092 /nfs/dbraw/zinc/37/60/92/934376092.db2.gz AGMMHGLLPSEXOY-UHFFFAOYSA-N 1 0 363.440 3.936 20 30 FHEDRO Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)ccc1OCC[NH+](C)C ZINC000458215978 934387097 /nfs/dbraw/zinc/38/70/97/934387097.db2.gz PWWMHIHXNGDUSM-MRXNPFEDSA-N 1 0 351.450 3.549 20 30 FHEDRO Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1OCC[NH+](C)C ZINC000458226398 934397882 /nfs/dbraw/zinc/39/78/82/934397882.db2.gz ZCHMONDZZBOIJK-LJQANCHMSA-N 1 0 365.477 3.962 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCc4c3cccc4Cl)CC2)nc1 ZINC000610809758 934449984 /nfs/dbraw/zinc/44/99/84/934449984.db2.gz UZWLTFYWSOOWQK-LJQANCHMSA-N 1 0 352.869 3.853 20 30 FHEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000610812732 934460536 /nfs/dbraw/zinc/46/05/36/934460536.db2.gz LGWSFQPSLNKEEU-ZDUSSCGKSA-N 1 0 357.445 3.980 20 30 FHEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610812940 934485086 /nfs/dbraw/zinc/48/50/86/934485086.db2.gz QGRKVLMCYWNCGE-AWEZNQCLSA-N 1 0 370.478 3.962 20 30 FHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000610830021 934503063 /nfs/dbraw/zinc/50/30/63/934503063.db2.gz YACHQZCVVHSRBL-HUUCEWRRSA-N 1 0 367.449 3.643 20 30 FHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000277142044 934557897 /nfs/dbraw/zinc/55/78/97/934557897.db2.gz VTSFFZHHAHIZKA-CQSZACIVSA-N 1 0 354.376 3.525 20 30 FHEDRO C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413421433 934597700 /nfs/dbraw/zinc/59/77/00/934597700.db2.gz WZAKMIUAWIYSQK-ZWUHOBOKSA-N 1 0 353.388 3.648 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610905702 934608438 /nfs/dbraw/zinc/60/84/38/934608438.db2.gz SIPZESWWPDZPQZ-UHFFFAOYSA-N 1 0 354.498 3.987 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000610933066 934633765 /nfs/dbraw/zinc/63/37/65/934633765.db2.gz XWHPHWFMZDTGJJ-DYESRHJHSA-N 1 0 359.473 3.542 20 30 FHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C(C)C)C2CC2)c1C#N ZINC000215664618 934705980 /nfs/dbraw/zinc/70/59/80/934705980.db2.gz QHKFLOAFYWMGOX-UHFFFAOYSA-N 1 0 350.466 3.777 20 30 FHEDRO N#Cc1cc(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)ccn1 ZINC000610993469 934730070 /nfs/dbraw/zinc/73/00/70/934730070.db2.gz PIWOQHVYVMFIQA-INIZCTEOSA-N 1 0 363.396 3.522 20 30 FHEDRO N#Cc1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)ccn1 ZINC000610993317 934738002 /nfs/dbraw/zinc/73/80/02/934738002.db2.gz KNHSTJGADGHXAQ-MRXNPFEDSA-N 1 0 363.396 3.522 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(CNCc2nnc(-c3ccccc3)s2)cc1 ZINC000151256004 934763494 /nfs/dbraw/zinc/76/34/94/934763494.db2.gz GBAAUMVKTHKDSL-AWEZNQCLSA-N 1 0 350.447 3.786 20 30 FHEDRO C=C(C)[C@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)OCC ZINC000535914628 934785833 /nfs/dbraw/zinc/78/58/33/934785833.db2.gz MIKMUVLUEPLNAU-PXNSSMCTSA-N 1 0 360.498 3.717 20 30 FHEDRO CC(C)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000538235582 934812676 /nfs/dbraw/zinc/81/26/76/934812676.db2.gz ATFRMJWNVDBUGP-UHFFFAOYSA-N 1 0 363.795 3.953 20 30 FHEDRO C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156661585 934839239 /nfs/dbraw/zinc/83/92/39/934839239.db2.gz NUUMTMKQPXMRGS-TZYHBYERSA-N 1 0 363.505 3.577 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC=C(C(F)(F)F)CC1)C(C)C ZINC000533826975 934840869 /nfs/dbraw/zinc/84/08/69/934840869.db2.gz YXRDGRPECDZJGK-MRXNPFEDSA-N 1 0 359.436 3.589 20 30 FHEDRO Cc1ccc2[nH]c(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2c1C ZINC000472078178 934964549 /nfs/dbraw/zinc/96/45/49/934964549.db2.gz MGIZPKLVBRLWLV-JOCHJYFZSA-N 1 0 372.472 3.942 20 30 FHEDRO Cc1ccc2[nH]c(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2c1C ZINC000472078179 934964680 /nfs/dbraw/zinc/96/46/80/934964680.db2.gz MGIZPKLVBRLWLV-QFIPXVFZSA-N 1 0 372.472 3.942 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 ZINC000472081822 934966801 /nfs/dbraw/zinc/96/68/01/934966801.db2.gz DSBMFYARNIGPJX-KRWDZBQOSA-N 1 0 352.478 3.764 20 30 FHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c(-c2ccccc2)n1 ZINC000157082112 935019630 /nfs/dbraw/zinc/01/96/30/935019630.db2.gz IUHHPIUYGZEMNT-WOJBJXKFSA-N 1 0 350.466 3.511 20 30 FHEDRO C[N@H+](Cc1ccc(C#N)s1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000119693766 935055412 /nfs/dbraw/zinc/05/54/12/935055412.db2.gz YPPAUFQJZDTUCG-YIONKMFJSA-N 1 0 361.511 3.982 20 30 FHEDRO COc1ccc(COCC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000609385396 935069302 /nfs/dbraw/zinc/06/93/02/935069302.db2.gz BLIRUWUYALPCJQ-UHFFFAOYSA-N 1 0 366.461 3.627 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000516638468 945077803 /nfs/dbraw/zinc/07/78/03/945077803.db2.gz QBDPXKOMTQUTMK-IHWFROFDSA-N 1 0 373.545 3.567 20 30 FHEDRO C=CCCn1cc(CNCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000657313191 935115561 /nfs/dbraw/zinc/11/55/61/935115561.db2.gz PMKUWGBXAJKXHJ-OALUTQOASA-N 1 0 367.541 3.622 20 30 FHEDRO C=CCOc1ccc(CN2CCCN(C(=O)C(C)C)CC2)cc1Cl ZINC000123524345 935119473 /nfs/dbraw/zinc/11/94/73/935119473.db2.gz XZHLAMZDVMJEKW-UHFFFAOYSA-N 1 0 350.890 3.595 20 30 FHEDRO C=CCCn1cc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)nn1 ZINC000657345737 935300678 /nfs/dbraw/zinc/30/06/78/935300678.db2.gz XKBWIRHOYDILMU-UHFFFAOYSA-N 1 0 350.388 3.694 20 30 FHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511081380 935317430 /nfs/dbraw/zinc/31/74/30/935317430.db2.gz MQADSBBXGSXXEZ-INIZCTEOSA-N 1 0 367.415 3.647 20 30 FHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(SC)c(OC)c1 ZINC000068816338 935335989 /nfs/dbraw/zinc/33/59/89/935335989.db2.gz PLKMUHIEQUGCDS-UHFFFAOYSA-N 1 0 356.491 3.937 20 30 FHEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000582153971 935352806 /nfs/dbraw/zinc/35/28/06/935352806.db2.gz VJWZPQRQTWSTJY-MRXNPFEDSA-N 1 0 367.415 3.705 20 30 FHEDRO CSC1(CNC(=O)N[C@H](CCCC#N)c2ccccc2)CC[NH+](C)CC1 ZINC000431377039 935448908 /nfs/dbraw/zinc/44/89/08/935448908.db2.gz XFYRIEHWCKBFNI-GOSISDBHSA-N 1 0 374.554 3.548 20 30 FHEDRO C=CCCn1cc(CNCc2cc(-c3ccc(OC)cc3)cs2)nn1 ZINC000657385689 935490504 /nfs/dbraw/zinc/49/05/04/935490504.db2.gz YBYPTPCORAKCQX-UHFFFAOYSA-N 1 0 354.479 3.881 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000414899312 945104640 /nfs/dbraw/zinc/10/46/40/945104640.db2.gz FJCMLNMRESZPLP-HKUYNNGSSA-N 1 0 368.868 3.854 20 30 FHEDRO CCC[N@H+](CC)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000472217531 935525844 /nfs/dbraw/zinc/52/58/44/935525844.db2.gz TUHBNFMLRYDYDS-UHFFFAOYSA-N 1 0 365.477 3.599 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@H](CC)Cc2ccccc2Br)nn1 ZINC000657396619 935551961 /nfs/dbraw/zinc/55/19/61/935551961.db2.gz WRNKSGVDLQDGAP-OAHLLOKOSA-N 1 0 363.303 3.728 20 30 FHEDRO C[N@H+](CCc1cccc2ccccc21)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000507294295 945112638 /nfs/dbraw/zinc/11/26/38/945112638.db2.gz VTWRZTXDPAXWJA-HSZRJFAPSA-N 1 0 369.468 3.991 20 30 FHEDRO CCC1CCC([N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C2CC2)CC1 ZINC000478427862 935632025 /nfs/dbraw/zinc/63/20/25/935632025.db2.gz MTHPDBXTVBPAJC-UHFFFAOYSA-N 1 0 360.523 3.765 20 30 FHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1C#N ZINC000478649112 935675384 /nfs/dbraw/zinc/67/53/84/935675384.db2.gz MURIYPDSVBLNKM-KGLIPLIRSA-N 1 0 372.538 3.545 20 30 FHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc(C#N)c1C ZINC000178579019 935686574 /nfs/dbraw/zinc/68/65/74/935686574.db2.gz CZSWUBPBRGXXFW-UHFFFAOYSA-N 1 0 350.466 3.982 20 30 FHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000509566036 945119146 /nfs/dbraw/zinc/11/91/46/945119146.db2.gz COLDVFWYLMKFHX-CRAIPNDOSA-N 1 0 366.465 3.569 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000582474632 935761416 /nfs/dbraw/zinc/76/14/16/935761416.db2.gz QORQEHVFFGWBRQ-IXDOHACOSA-N 1 0 372.538 3.792 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1OC ZINC000277650072 935779643 /nfs/dbraw/zinc/77/96/43/935779643.db2.gz DNTJQPNICLRIGN-SWLSCSKDSA-N 1 0 370.287 3.537 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000582546956 935812736 /nfs/dbraw/zinc/81/27/36/935812736.db2.gz AGZAUTSTOJDGAX-UHFFFAOYSA-N 1 0 364.489 3.724 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(F)c(C#N)c1)c1cccc(OC)c1 ZINC000548741341 935813049 /nfs/dbraw/zinc/81/30/49/935813049.db2.gz WGEBQVNEJCAVKL-HXUWFJFHSA-N 1 0 369.440 3.519 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000375716889 935836815 /nfs/dbraw/zinc/83/68/15/935836815.db2.gz DPYFNMFZCUIMKI-FPOVZHCZSA-N 1 0 369.509 3.811 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+][C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000375723189 935892860 /nfs/dbraw/zinc/89/28/60/935892860.db2.gz DEJYYBURASMWEP-AZUAARDMSA-N 1 0 350.466 3.694 20 30 FHEDRO C[N@H+](CCCCC(C)(C)C#N)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000277778409 935923097 /nfs/dbraw/zinc/92/30/97/935923097.db2.gz RRBHEUSBUDVWDU-HNNXBMFYSA-N 1 0 366.303 3.627 20 30 FHEDRO CC[NH+](CC)[C@H](C/N=C\c1cccc(OC)c1O)c1cccc(OC)c1 ZINC000255518928 935927585 /nfs/dbraw/zinc/92/75/85/935927585.db2.gz XVIWOMRUNDPTIX-HBEGMLAUSA-N 1 0 356.466 3.911 20 30 FHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2ccccc2)c1 ZINC000255519239 935938131 /nfs/dbraw/zinc/93/81/31/935938131.db2.gz CAJKZYZQKKWIMN-VNRULFPQSA-N 1 0 361.445 3.531 20 30 FHEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329096084 935969514 /nfs/dbraw/zinc/96/95/14/935969514.db2.gz BOBRLSSYMJIGHZ-MSOLQXFVSA-N 1 0 365.562 3.740 20 30 FHEDRO N#Cc1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000166158704 935980071 /nfs/dbraw/zinc/98/00/71/935980071.db2.gz QVFJIMOMUANUBL-CQSZACIVSA-N 1 0 356.451 3.852 20 30 FHEDRO CN(c1c(C#N)nnc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775231 935996318 /nfs/dbraw/zinc/99/63/18/935996318.db2.gz QYNHFFHZFQNRRT-GOSISDBHSA-N 1 0 357.461 3.602 20 30 FHEDRO C=CCOc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1OC ZINC000075761119 936019221 /nfs/dbraw/zinc/01/92/21/936019221.db2.gz MZTXLECIONYMCX-UHFFFAOYSA-N 1 0 353.466 3.545 20 30 FHEDRO N#CCC[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000438854208 945142038 /nfs/dbraw/zinc/14/20/38/945142038.db2.gz RDCWPLBBELDEJS-LEWJYISDSA-N 1 0 362.477 3.605 20 30 FHEDRO N#Cc1csc(C[NH2+]CCc2c[nH]c3cccc(Br)c23)n1 ZINC000582754638 936080663 /nfs/dbraw/zinc/08/06/63/936080663.db2.gz VSEGNIXMNXRKSR-UHFFFAOYSA-N 1 0 361.268 3.591 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CCc2cn3c(cccc3C)n2)cc1OC ZINC000647262152 936128358 /nfs/dbraw/zinc/12/83/58/936128358.db2.gz FUSGVCLOZGFJGA-UHFFFAOYSA-N 1 0 351.450 3.548 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]CCc2cn3c(cccc3C)n2)ccc1OC ZINC000647262542 936158667 /nfs/dbraw/zinc/15/86/67/936158667.db2.gz CLTZVXRQQSJOSP-UHFFFAOYSA-N 1 0 365.477 3.939 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1OC ZINC000657688947 936257520 /nfs/dbraw/zinc/25/75/20/936257520.db2.gz VOEKCDRRDCWIHK-PMACEKPBSA-N 1 0 369.509 3.885 20 30 FHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCSCC#N)[C@@H]2CCCC[C@@H]12 ZINC000439985823 945154033 /nfs/dbraw/zinc/15/40/33/945154033.db2.gz WCBZFLRKDLTZFI-LTFXXXRZSA-N 1 0 365.587 3.817 20 30 FHEDRO CC(C)(C)OC(=O)C1(Nc2ncc(C#N)c3ccccc23)CCC([NH3+])CC1 ZINC001167639726 936305035 /nfs/dbraw/zinc/30/50/35/936305035.db2.gz MXAREMSWHNQGBZ-UHFFFAOYSA-N 1 0 366.465 3.500 20 30 FHEDRO CC[C@@H](C#N)Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1 ZINC000127041672 938252310 /nfs/dbraw/zinc/25/23/10/938252310.db2.gz BRZWHBSJHHEKDG-HNNXBMFYSA-N 1 0 361.902 3.911 20 30 FHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(C)CC(C)(C)C#N)c1 ZINC000458542038 938264206 /nfs/dbraw/zinc/26/42/06/938264206.db2.gz JUYMWFVNYMDXSD-UHFFFAOYSA-N 1 0 358.530 4.000 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+][C@@H](c3ccc(Cl)cc3)C3CCC3)cnc12 ZINC000583515887 938288753 /nfs/dbraw/zinc/28/87/53/938288753.db2.gz BCFLZPQMTONVJO-GOSISDBHSA-N 1 0 351.841 3.885 20 30 FHEDRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)nnn1-c1ccccc1Cl ZINC000329204005 938288894 /nfs/dbraw/zinc/28/88/94/938288894.db2.gz YRNGFRXCRRDUCT-AWEZNQCLSA-N 1 0 373.888 3.551 20 30 FHEDRO C[C@H]1CCCC[C@@H]1NC(=S)C(C(=O)c1nccs1)[n+]1ccccc1 ZINC000278298667 938292543 /nfs/dbraw/zinc/29/25/43/938292543.db2.gz RJRNEBVVJOMNOZ-KBPBESRZSA-O 1 0 360.528 3.538 20 30 FHEDRO CC(C)C[C@H](CNC(=O)N(C)CC(C)(C)C#N)[NH2+][C@H](C)c1ccccc1 ZINC000458573253 938293388 /nfs/dbraw/zinc/29/33/88/938293388.db2.gz XAIKGYHRYOMUKX-IEBWSBKVSA-N 1 0 358.530 3.943 20 30 FHEDRO C=C(C)[C@H](NCc1cc(=O)n2cccc(C)c2n1)c1ccc(F)c(F)c1 ZINC000187784004 938309015 /nfs/dbraw/zinc/30/90/15/938309015.db2.gz XKPNURCONSSKTH-IBGZPJMESA-N 1 0 355.388 3.688 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(O)c(OC)c1 ZINC000157013215 938309180 /nfs/dbraw/zinc/30/91/80/938309180.db2.gz KOEDFMZBKKZUHY-UHFFFAOYSA-N 1 0 354.406 3.596 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245699719 938310170 /nfs/dbraw/zinc/31/01/70/938310170.db2.gz YZPDNGQMPSLFJL-RBUKOAKNSA-N 1 0 355.507 3.891 20 30 FHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c(-c2ccccc2)n1 ZINC000157081815 938310273 /nfs/dbraw/zinc/31/02/73/938310273.db2.gz IUHHPIUYGZEMNT-UXHICEINSA-N 1 0 350.466 3.511 20 30 FHEDRO Cc1[nH]c2ccccc2c1C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329272638 938311406 /nfs/dbraw/zinc/31/14/06/938311406.db2.gz AHNVEIMKWVUNDV-KRWDZBQOSA-N 1 0 366.509 3.806 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245696817 938311417 /nfs/dbraw/zinc/31/14/17/938311417.db2.gz BDWZIRQQVOUJLW-OAGGEKHMSA-N 1 0 358.511 3.639 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(F)c1 ZINC000052485649 938336160 /nfs/dbraw/zinc/33/61/60/938336160.db2.gz OCAXTASBUAHAES-UHFFFAOYSA-N 1 0 360.502 3.924 20 30 FHEDRO C#CCSCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000219224390 938353388 /nfs/dbraw/zinc/35/33/88/938353388.db2.gz QWDYOEFQOZNBBQ-UHFFFAOYSA-N 1 0 350.228 3.507 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000158784712 938356738 /nfs/dbraw/zinc/35/67/38/938356738.db2.gz KOUUGUXJODIONQ-IBGZPJMESA-N 1 0 363.461 3.825 20 30 FHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(CC#N)cc1 ZINC000157399664 938365483 /nfs/dbraw/zinc/36/54/83/938365483.db2.gz HJBFGXZEHYIGES-UHFFFAOYSA-N 1 0 363.465 3.528 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246476440 938368076 /nfs/dbraw/zinc/36/80/76/938368076.db2.gz OQZFBNHELOGBHC-ARFHVFGLSA-N 1 0 358.511 3.781 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCCC)CC1 ZINC000247268771 938453779 /nfs/dbraw/zinc/45/37/79/938453779.db2.gz XTEUXJQWQJJERM-MSOLQXFVSA-N 1 0 364.555 3.932 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCCC)CC1 ZINC000247268795 938453784 /nfs/dbraw/zinc/45/37/84/938453784.db2.gz XTEUXJQWQJJERM-QZTJIDSGSA-N 1 0 364.555 3.932 20 30 FHEDRO CC(C)(C)OC(=O)[C@@H]1CN(Cc2nc(C#N)cs2)C[C@H]1c1ccccc1 ZINC000583869715 938458490 /nfs/dbraw/zinc/45/84/90/938458490.db2.gz FGIKCABUQLGKMM-DLBZAZTESA-N 1 0 369.490 3.572 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(CC#N)cc3)cc2)C1 ZINC000536152506 938465660 /nfs/dbraw/zinc/46/56/60/938465660.db2.gz VMHKAXLORPLJCV-GOSISDBHSA-N 1 0 361.489 3.915 20 30 FHEDRO CN(C)[C@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)c1ccccc1 ZINC000178997533 938465787 /nfs/dbraw/zinc/46/57/87/938465787.db2.gz UPZMRHCTPSMXFD-SFHVURJKSA-N 1 0 362.458 3.923 20 30 FHEDRO CC[NH+](CC)[C@@H](C(=O)N[C@H](C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000161938746 938469896 /nfs/dbraw/zinc/46/98/96/938469896.db2.gz WTTCXWVAXFRQEA-HZPDHXFCSA-N 1 0 353.388 3.507 20 30 FHEDRO C=C[C@@H](CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000536159884 938476523 /nfs/dbraw/zinc/47/65/23/938476523.db2.gz GXRIAXUKSRXYBN-FQEVSTJZSA-N 1 0 363.505 3.732 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000437247030 945178583 /nfs/dbraw/zinc/17/85/83/945178583.db2.gz WUPKEJRSVDHKMS-PXNSSMCTSA-N 1 0 355.434 3.804 20 30 FHEDRO COCCC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCCC1 ZINC000278555183 938530322 /nfs/dbraw/zinc/53/03/22/938530322.db2.gz BVEIKHHQKAJLIM-UHFFFAOYSA-N 1 0 367.497 3.545 20 30 FHEDRO CC(C)(C#N)CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000278572551 938543982 /nfs/dbraw/zinc/54/39/82/938543982.db2.gz QZVNAQFDGRSKKU-UHFFFAOYSA-N 1 0 367.415 3.680 20 30 FHEDRO COc1ccccc1[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000248186426 938550226 /nfs/dbraw/zinc/55/02/26/938550226.db2.gz HUAFSPMDFBFXMN-LJQANCHMSA-N 1 0 366.421 3.724 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000584026573 938556312 /nfs/dbraw/zinc/55/63/12/938556312.db2.gz SFJBIQXZDUIUFR-AZUAARDMSA-N 1 0 356.510 3.539 20 30 FHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H](CCCC#N)c3ccccc3)C2)CC1 ZINC000458794935 938591705 /nfs/dbraw/zinc/59/17/05/938591705.db2.gz BTWOCFZLGFSDGS-NHCUHLMSSA-N 1 0 368.525 3.795 20 30 FHEDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1c(F)ccc(O)c1F ZINC000329669765 938597025 /nfs/dbraw/zinc/59/70/25/938597025.db2.gz MMPDMMCQOZLQAM-UHFFFAOYSA-N 1 0 370.465 3.727 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c(F)c1 ZINC000052829755 938614603 /nfs/dbraw/zinc/61/46/03/938614603.db2.gz GVSPAODUVADVSG-HNNXBMFYSA-N 1 0 372.831 3.596 20 30 FHEDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000278701875 938669457 /nfs/dbraw/zinc/66/94/57/938669457.db2.gz QVTGHEYZZCYFCG-RTBURBONSA-N 1 0 367.497 3.540 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000437272253 945197300 /nfs/dbraw/zinc/19/73/00/945197300.db2.gz XLUAEZLYDFXNFL-MGPUTAFESA-N 1 0 355.434 3.804 20 30 FHEDRO Cc1cc(C)c(C#N)c(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)n1 ZINC000080982853 938712483 /nfs/dbraw/zinc/71/24/83/938712483.db2.gz VNKDEFKVHFYJHP-GOSISDBHSA-N 1 0 364.493 3.882 20 30 FHEDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278752796 938799449 /nfs/dbraw/zinc/79/94/49/938799449.db2.gz WMZZVSUQPPXDQF-MSOLQXFVSA-N 1 0 355.511 3.623 20 30 FHEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000118394854 938819005 /nfs/dbraw/zinc/81/90/05/938819005.db2.gz HDGIHILKMSRKAT-MRXNPFEDSA-N 1 0 367.518 3.752 20 30 FHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511823525 945210107 /nfs/dbraw/zinc/21/01/07/945210107.db2.gz QTSXGNAFWMSYPS-SJORKVTESA-N 1 0 367.415 3.693 20 30 FHEDRO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942800 938866847 /nfs/dbraw/zinc/86/68/47/938866847.db2.gz BGBZNIZERQAGRC-JTQLQIEISA-N 1 0 352.269 3.796 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1 ZINC000657865722 938905222 /nfs/dbraw/zinc/90/52/22/938905222.db2.gz VSEZXMUBPLGGAS-CTNGQTDRSA-N 1 0 355.526 3.580 20 30 FHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458799048 938929288 /nfs/dbraw/zinc/92/92/88/938929288.db2.gz IZIICSTXPUNQDY-XLIONFOSSA-N 1 0 356.514 3.793 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000458800927 938941143 /nfs/dbraw/zinc/94/11/43/938941143.db2.gz MEERDEGAARLDMJ-PMACEKPBSA-N 1 0 354.498 3.691 20 30 FHEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458800421 938947988 /nfs/dbraw/zinc/94/79/88/938947988.db2.gz LDSGEWVAXSZBBQ-IBGZPJMESA-N 1 0 354.498 3.691 20 30 FHEDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000611940044 938993933 /nfs/dbraw/zinc/99/39/33/938993933.db2.gz ZCAUJVABUHTOMU-OAHLLOKOSA-N 1 0 356.857 3.641 20 30 FHEDRO C=CCn1c([C@@H](C)CC)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000685533734 938997085 /nfs/dbraw/zinc/99/70/85/938997085.db2.gz OMNKDHVNKOAPSN-ROUUACIJSA-N 1 0 353.514 3.688 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000174144866 938998799 /nfs/dbraw/zinc/99/87/99/938998799.db2.gz WJIUEDZCOWPOGA-IRXDYDNUSA-N 1 0 357.498 3.889 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@]2(C)OCCc3sccc32)cc1OC ZINC000685629181 939006266 /nfs/dbraw/zinc/00/62/66/939006266.db2.gz QXFULESHMREUEC-FQEVSTJZSA-N 1 0 359.491 3.899 20 30 FHEDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000166955173 939014313 /nfs/dbraw/zinc/01/43/13/939014313.db2.gz QVPYPHJOPLLQNT-INIZCTEOSA-N 1 0 350.422 3.567 20 30 FHEDRO CCCc1c(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000440078895 945222866 /nfs/dbraw/zinc/22/28/66/945222866.db2.gz XTFJFQCVNXCCBJ-HOTGVXAUSA-N 1 0 365.481 3.508 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000612106070 939053607 /nfs/dbraw/zinc/05/36/07/939053607.db2.gz QYDAFOBWQSPZIT-AVRDEDQJSA-N 1 0 368.525 3.896 20 30 FHEDRO C=CCOCCC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000658210932 939070854 /nfs/dbraw/zinc/07/08/54/939070854.db2.gz YVTVIOZHMJDBKH-NRFANRHFSA-N 1 0 373.518 3.670 20 30 FHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612132179 939119056 /nfs/dbraw/zinc/11/90/56/939119056.db2.gz HAOJXULSNAWTEZ-YPAWHYETSA-N 1 0 359.473 3.589 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188341054 939200536 /nfs/dbraw/zinc/20/05/36/939200536.db2.gz PXHQNZXWXNDDKG-UHFFFAOYSA-N 1 0 361.489 3.746 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000425784249 945240349 /nfs/dbraw/zinc/24/03/49/945240349.db2.gz JTAABRMFHWWOHZ-FVJLSDCUSA-N 1 0 364.493 3.952 20 30 FHEDRO C=CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255542 945257135 /nfs/dbraw/zinc/25/71/35/945257135.db2.gz OYCKMEMNGRNVLI-DBXWQHBBSA-N 1 0 369.513 3.807 20 30 FHEDRO [NH2+]=C(NCC1(Cc2ccc(F)cc2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000261963652 945267187 /nfs/dbraw/zinc/26/71/87/945267187.db2.gz AGSMCVOIGISFRF-GOSISDBHSA-N 1 0 353.441 3.577 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000519287152 945272269 /nfs/dbraw/zinc/27/22/69/945272269.db2.gz WIOUDHQYUDJVME-UHFFFAOYSA-N 1 0 356.514 3.839 20 30 FHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000516809049 945273536 /nfs/dbraw/zinc/27/35/36/945273536.db2.gz UAPJYRQSAGBHJY-UHFFFAOYSA-N 1 0 356.853 3.795 20 30 FHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000179607100 939893609 /nfs/dbraw/zinc/89/36/09/939893609.db2.gz VRXAEEHSOAHFFP-CYBMUJFWSA-N 1 0 359.376 3.839 20 30 FHEDRO N#Cc1ccc(SCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000065829938 939935450 /nfs/dbraw/zinc/93/54/50/939935450.db2.gz AODJSAFZTNJDPA-UHFFFAOYSA-N 1 0 371.550 3.955 20 30 FHEDRO Cc1csc([C@@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000278786807 939936140 /nfs/dbraw/zinc/93/61/40/939936140.db2.gz ZQLCSTAIJJOQAX-AWEZNQCLSA-N 1 0 366.494 3.517 20 30 FHEDRO N#Cc1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000516823748 945285365 /nfs/dbraw/zinc/28/53/65/945285365.db2.gz ARKRABKXHKGMTK-CQSZACIVSA-N 1 0 356.451 3.852 20 30 FHEDRO C=CCC[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccco1 ZINC000375851984 939973856 /nfs/dbraw/zinc/97/38/56/939973856.db2.gz MRDLUDGWUGNCGH-SJORKVTESA-N 1 0 356.470 3.802 20 30 FHEDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000364682819 939982039 /nfs/dbraw/zinc/98/20/39/939982039.db2.gz QGVLIFSNTNQPKG-OAHLLOKOSA-N 1 0 374.444 3.581 20 30 FHEDRO C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@@](C)(C#N)C2)CCCC1)c1ccccc1 ZINC000612372236 940028258 /nfs/dbraw/zinc/02/82/58/940028258.db2.gz KSLKAZNJFWYXPG-NQIIRXRSSA-N 1 0 368.525 3.985 20 30 FHEDRO Cc1ccc2oc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2c1 ZINC000065930251 940078725 /nfs/dbraw/zinc/07/87/25/940078725.db2.gz QZGCWTDLXCYGMY-UHFFFAOYSA-N 1 0 361.445 3.817 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc4c(c3)NC(=O)CC4)CC2)cc1 ZINC000179891376 940084311 /nfs/dbraw/zinc/08/43/11/940084311.db2.gz RUBLUXHWDQUJOX-UHFFFAOYSA-N 1 0 360.461 3.519 20 30 FHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000065939682 940085836 /nfs/dbraw/zinc/08/58/36/940085836.db2.gz CMOSKRQNZGAZOO-UHFFFAOYSA-N 1 0 356.441 3.595 20 30 FHEDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1ccc(C#N)cc1Cl ZINC000365301639 940117184 /nfs/dbraw/zinc/11/71/84/940117184.db2.gz ZUARCVIIZCAYMK-HOCLYGCPSA-N 1 0 355.873 3.569 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000413834193 940166968 /nfs/dbraw/zinc/16/69/68/940166968.db2.gz LLOUDCPOLFQUMO-RTWAWAEBSA-N 1 0 355.526 3.547 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000413836860 940175379 /nfs/dbraw/zinc/17/53/79/940175379.db2.gz PXIMFWFACVJPEU-IBGZPJMESA-N 1 0 355.482 3.540 20 30 FHEDRO C[C@@H]1CCC[C@](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)([NH+](C)C)C1 ZINC000507524839 945302732 /nfs/dbraw/zinc/30/27/32/945302732.db2.gz CBRAGDGGEDMXSU-VFNWGFHPSA-N 1 0 359.489 3.602 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000548957512 940252309 /nfs/dbraw/zinc/25/23/09/940252309.db2.gz OUJDYPLPBYDYJK-GOSISDBHSA-N 1 0 356.857 3.945 20 30 FHEDRO CN(CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180030278 940278046 /nfs/dbraw/zinc/27/80/46/940278046.db2.gz JIDYLCDBCBQIOH-UHFFFAOYSA-N 1 0 359.477 3.575 20 30 FHEDRO Cn1cc(C[NH2+]Cc2ccc(OC(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180032726 940283315 /nfs/dbraw/zinc/28/33/15/940283315.db2.gz ZHAPARMQNOAVFD-UHFFFAOYSA-N 1 0 368.387 3.850 20 30 FHEDRO CC1CC[NH+](Cc2ccc(-c3noc(-c4ccc(C#N)nc4)n3)cc2)CC1 ZINC000612897260 940328682 /nfs/dbraw/zinc/32/86/82/940328682.db2.gz LJKMJAMIEXDXHD-UHFFFAOYSA-N 1 0 359.433 3.902 20 30 FHEDRO CC[C@@H](C#N)Oc1cc(CNc2cc[nH+]cc2-c2cccnc2)ccc1OC ZINC000376173963 940416615 /nfs/dbraw/zinc/41/66/15/940416615.db2.gz PWNIWWSIGJFUFE-SFHVURJKSA-N 1 0 374.444 3.867 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000177861484 940469410 /nfs/dbraw/zinc/46/94/10/940469410.db2.gz BAMDHSUVWWYZPH-CQSZACIVSA-N 1 0 357.404 3.524 20 30 FHEDRO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1OC ZINC000580740084 940483443 /nfs/dbraw/zinc/48/34/43/940483443.db2.gz GCMUXSCCVRAIOY-UHFFFAOYSA-N 1 0 370.424 3.758 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)c(C(F)(F)F)c1 ZINC000581100348 940493667 /nfs/dbraw/zinc/49/36/67/940493667.db2.gz MCEVRIAQHRGDJA-UHFFFAOYSA-N 1 0 357.282 3.863 20 30 FHEDRO Cc1nsc(N2CC[NH+]([C@H](C)CCc3cccc(F)c3)CC2)c1C#N ZINC000581374736 940502650 /nfs/dbraw/zinc/50/26/50/940502650.db2.gz YEMBTHQMWYAZGH-CQSZACIVSA-N 1 0 358.486 3.606 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000414117119 940607479 /nfs/dbraw/zinc/60/74/79/940607479.db2.gz YQDRYNBSSBVBLE-IERDGZPVSA-N 1 0 363.461 3.722 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2ccccc2F)c(OC)c1 ZINC000613373414 940643441 /nfs/dbraw/zinc/64/34/41/940643441.db2.gz NLDXAEKXRIHZJU-WMZOPIPTSA-N 1 0 373.468 3.996 20 30 FHEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1Br ZINC000613388549 940657579 /nfs/dbraw/zinc/65/75/79/940657579.db2.gz AXXQGMZDHGVHKN-FZKQIMNGSA-N 1 0 359.267 3.575 20 30 FHEDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(C#N)cc1Br ZINC000613388551 940657608 /nfs/dbraw/zinc/65/76/08/940657608.db2.gz AXXQGMZDHGVHKN-UGSOOPFHSA-N 1 0 359.267 3.575 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nccc2ccccc21 ZINC000582270922 940663087 /nfs/dbraw/zinc/66/30/87/940663087.db2.gz ANMMRRCYMDRNBN-IERDGZPVSA-N 1 0 370.456 3.953 20 30 FHEDRO C=C(C)[C@@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(F)c(F)c1 ZINC000187789960 940679647 /nfs/dbraw/zinc/67/96/47/940679647.db2.gz OZGSNIZZTPAUDQ-LJQANCHMSA-N 1 0 363.383 3.922 20 30 FHEDRO C[N@H+](CCOc1ccc(Br)cc1)Cc1cc(C#N)cs1 ZINC000506802570 945340023 /nfs/dbraw/zinc/34/00/23/945340023.db2.gz CJXJSGNGPBIZKD-UHFFFAOYSA-N 1 0 351.269 3.893 20 30 FHEDRO COc1ccc([C@@H](CO)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000414173478 940709777 /nfs/dbraw/zinc/70/97/77/940709777.db2.gz GHERVQVVMFRJJS-DENIHFKCSA-N 1 0 350.462 3.700 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(F)(F)F)nc2C)CC1 ZINC000549042373 940818772 /nfs/dbraw/zinc/81/87/72/940818772.db2.gz DECKBSIGCKDEIM-UHFFFAOYSA-N 1 0 356.392 3.571 20 30 FHEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(Br)c(OC(F)(F)F)c1 ZINC001218206497 940832229 /nfs/dbraw/zinc/83/22/29/940832229.db2.gz LQVIYZMWFINVQO-GFCCVEGCSA-N 1 0 352.150 3.645 20 30 FHEDRO Cn1cc(C[NH2+][C@H](CCCO)c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180239559 940852591 /nfs/dbraw/zinc/85/25/91/940852591.db2.gz PMNOLJWCAHTNBM-OAQYLSRUSA-N 1 0 360.461 3.562 20 30 FHEDRO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000414264595 940855470 /nfs/dbraw/zinc/85/54/70/940855470.db2.gz KSKOJBRFPONFKJ-BJTVZRGDSA-N 1 0 355.526 3.586 20 30 FHEDRO Cc1ccc(O[C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180255459 940884241 /nfs/dbraw/zinc/88/42/41/940884241.db2.gz GUATXETZHURBNS-KRWDZBQOSA-N 1 0 360.461 3.824 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000414304444 940923848 /nfs/dbraw/zinc/92/38/48/940923848.db2.gz OTIDTIYQZUQSDC-UZLBHIALSA-N 1 0 358.507 3.896 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414310945 940941739 /nfs/dbraw/zinc/94/17/39/940941739.db2.gz XNFOMSKKZLZXDR-YLJYHZDGSA-N 1 0 372.534 3.775 20 30 FHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccn(-c4ccccc4)n3)CC2)nc1 ZINC000180310088 940945158 /nfs/dbraw/zinc/94/51/58/940945158.db2.gz RXWIWALUKSXUJC-UHFFFAOYSA-N 1 0 373.460 3.619 20 30 FHEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000330120762 945364809 /nfs/dbraw/zinc/36/48/09/945364809.db2.gz BFPOZFQWDQNCRQ-UKRRQHHQSA-N 1 0 351.516 3.793 20 30 FHEDRO C[C@@H](NC(=O)CN1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc(Cl)cc1 ZINC000330123103 945365531 /nfs/dbraw/zinc/36/55/31/945365531.db2.gz KPSQUENGFWMNDB-CLCXKQKWSA-N 1 0 366.889 3.627 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000176091444 940988470 /nfs/dbraw/zinc/98/84/70/940988470.db2.gz FUBOIJRBPXATPH-MRXNPFEDSA-N 1 0 366.440 3.826 20 30 FHEDRO COc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330127956 945368313 /nfs/dbraw/zinc/36/83/13/945368313.db2.gz NEXLCWNMZAKWHL-OCCSQVGLSA-N 1 0 358.269 3.955 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000540975996 941051742 /nfs/dbraw/zinc/05/17/42/941051742.db2.gz JSTYKRDBDRJJHT-JKSBSHDWSA-N 1 0 367.468 3.637 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1C#N ZINC000180635436 941055308 /nfs/dbraw/zinc/05/53/08/941055308.db2.gz LKQZHLWFBJEQHH-UHFFFAOYSA-N 1 0 372.513 3.931 20 30 FHEDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181205376 941110880 /nfs/dbraw/zinc/11/08/80/941110880.db2.gz XJBBUHZGOCMGSK-HNNXBMFYSA-N 1 0 373.298 3.509 20 30 FHEDRO C=CC1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000659266092 941139813 /nfs/dbraw/zinc/13/98/13/941139813.db2.gz RBTYLYBOSARXKJ-QFIPXVFZSA-N 1 0 364.489 3.560 20 30 FHEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000189491688 941159054 /nfs/dbraw/zinc/15/90/54/941159054.db2.gz GQJRIXZVTGOABR-CABCVRRESA-N 1 0 351.541 3.829 20 30 FHEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000189491625 941159172 /nfs/dbraw/zinc/15/91/72/941159172.db2.gz GQJRIXZVTGOABR-LSDHHAIUSA-N 1 0 351.541 3.829 20 30 FHEDRO CC(C)(C)OC(=O)NCCc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000311313042 941232444 /nfs/dbraw/zinc/23/24/44/941232444.db2.gz VZOGFWILBFMLRR-UHFFFAOYSA-N 1 0 371.506 3.977 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1nc(Br)ccc1F ZINC000926812618 941235756 /nfs/dbraw/zinc/23/57/56/941235756.db2.gz NLEADGOCQVUCPG-QMTHXVAHSA-N 1 0 360.230 3.673 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000189915631 941303318 /nfs/dbraw/zinc/30/33/18/941303318.db2.gz JAPLHLXWJMTMDS-QGZVFWFLSA-N 1 0 365.452 3.535 20 30 FHEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000180028313 941349396 /nfs/dbraw/zinc/34/93/96/941349396.db2.gz NQIXPRFQQZNKAW-VIFPVBQESA-N 1 0 354.294 3.677 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000414577976 941384725 /nfs/dbraw/zinc/38/47/25/941384725.db2.gz HPXJCWDWTVLEGM-LJQANCHMSA-N 1 0 353.441 3.877 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC(C)(C)CCC#N ZINC000376709029 941385549 /nfs/dbraw/zinc/38/55/49/941385549.db2.gz FMWDGUHBQIRRLC-IEBWSBKVSA-N 1 0 356.514 3.526 20 30 FHEDRO CCOCc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)ccc1OC ZINC000376739355 941400880 /nfs/dbraw/zinc/40/08/80/941400880.db2.gz ITAWNUJRKRQZNF-UHFFFAOYSA-N 1 0 365.477 3.684 20 30 FHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000376852478 941452233 /nfs/dbraw/zinc/45/22/33/941452233.db2.gz SMMVHFRDFTXOTQ-KRWDZBQOSA-N 1 0 363.461 3.828 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)NCC(C)(C)CCC#N ZINC000377032865 941498593 /nfs/dbraw/zinc/49/85/93/941498593.db2.gz RZYAUORCNGUHRS-UYAOXDASSA-N 1 0 370.541 3.868 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](CCCOCC(F)(F)F)CC2)c(F)c1 ZINC000377133330 941526064 /nfs/dbraw/zinc/52/60/64/941526064.db2.gz ZWAFDIGDZDNPMZ-UHFFFAOYSA-N 1 0 360.351 3.510 20 30 FHEDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CC1 ZINC000415010396 941539232 /nfs/dbraw/zinc/53/92/32/941539232.db2.gz PATVNGUENAHUMF-FQEVSTJZSA-N 1 0 350.422 3.599 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[NH2+]1 ZINC000415043010 941562508 /nfs/dbraw/zinc/56/25/08/941562508.db2.gz RBCPBEMFBYFARN-RHSMWYFYSA-N 1 0 350.422 3.613 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[C@H]1[NH3+] ZINC000415049990 941566569 /nfs/dbraw/zinc/56/65/69/941566569.db2.gz YMLTZSDPRVUPRO-AUUYWEPGSA-N 1 0 350.422 3.552 20 30 FHEDRO CS[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1[NH+]1CCCC1 ZINC000460357780 941620565 /nfs/dbraw/zinc/62/05/65/941620565.db2.gz VFFNPRHSPLFRNR-MSOLQXFVSA-N 1 0 368.468 3.569 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[C@H]1[NH3+] ZINC000415150544 941630268 /nfs/dbraw/zinc/63/02/68/941630268.db2.gz QIGWZCPZIOEXJB-AUUYWEPGSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[C@H]1[NH3+] ZINC000415150546 941630373 /nfs/dbraw/zinc/63/03/73/941630373.db2.gz QIGWZCPZIOEXJB-IFXJQAMLSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H]1C[NH3+] ZINC000415152820 941635997 /nfs/dbraw/zinc/63/59/97/941635997.db2.gz CFWYMRRKOGDGGT-NVXWUHKLSA-N 1 0 364.449 3.799 20 30 FHEDRO CC1(C)CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC000415155323 941637489 /nfs/dbraw/zinc/63/74/89/941637489.db2.gz YQTCGZAQWSYREE-UHFFFAOYSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415156404 941637889 /nfs/dbraw/zinc/63/78/89/941637889.db2.gz GIPOIHLVMVJNAX-GDBMZVCRSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415151659 941639913 /nfs/dbraw/zinc/63/99/13/941639913.db2.gz APOYFGMFSHNXHE-YOEHRIQHSA-N 1 0 360.527 3.967 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000415157265 941640735 /nfs/dbraw/zinc/64/07/35/941640735.db2.gz HCSAHUQGGYKMKI-IBGZPJMESA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[C@H]1[NH3+] ZINC000415169007 941646177 /nfs/dbraw/zinc/64/61/77/941646177.db2.gz VPJSBFIGGHYOOB-IFXJQAMLSA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)c1 ZINC000415165404 941647043 /nfs/dbraw/zinc/64/70/43/941647043.db2.gz QJEPPPLOGGQKLH-INIZCTEOSA-N 1 0 364.449 3.943 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H](C)C[NH2+]1 ZINC000415167053 941648527 /nfs/dbraw/zinc/64/85/27/941648527.db2.gz SBQCQGCKTXSIFF-HUUCEWRRSA-N 1 0 350.422 3.565 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000472741491 941660082 /nfs/dbraw/zinc/66/00/82/941660082.db2.gz SZCJSWWKEZIQDY-INIZCTEOSA-N 1 0 366.465 3.599 20 30 FHEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000472747865 941667893 /nfs/dbraw/zinc/66/78/93/941667893.db2.gz IBBRFHFRHXGFTC-BBRMVZONSA-N 1 0 371.262 3.755 20 30 FHEDRO N#CCN1CCC([NH2+][C@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892909764 941674908 /nfs/dbraw/zinc/67/49/08/941674908.db2.gz NUYJDPPMIFXIHS-YJBOKZPZSA-N 1 0 351.416 3.708 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(OC(F)F)nc3)CC2)cc1 ZINC000549226466 941678472 /nfs/dbraw/zinc/67/84/72/941678472.db2.gz YHSBIJIROHDMLD-UHFFFAOYSA-N 1 0 358.392 3.631 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000415223986 941686821 /nfs/dbraw/zinc/68/68/21/941686821.db2.gz AOSACIAEKWVCEX-HIFRSBDPSA-N 1 0 368.412 3.739 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000415238635 941692865 /nfs/dbraw/zinc/69/28/65/941692865.db2.gz MGCLJQPNGJZOMO-UKRRQHHQSA-N 1 0 368.412 3.691 20 30 FHEDRO C[C@H](NC(=O)c1cc2ccccc2n1CC#N)[C@H](c1ccccc1)[NH+](C)C ZINC000613672611 941693732 /nfs/dbraw/zinc/69/37/32/941693732.db2.gz WAXWMBGPKPAKKX-HRAATJIYSA-N 1 0 360.461 3.586 20 30 FHEDRO C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)[C@H](c1ccccc1)[NH+](C)C ZINC000613672613 941694370 /nfs/dbraw/zinc/69/43/70/941694370.db2.gz WAXWMBGPKPAKKX-IIBYNOLFSA-N 1 0 360.461 3.586 20 30 FHEDRO Cc1cc(NC(=O)CC(C)(C)C#N)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000377538157 941789793 /nfs/dbraw/zinc/78/97/93/941789793.db2.gz SYWVTZJJFJTKSB-SFHVURJKSA-N 1 0 365.481 3.517 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000565081670 941794188 /nfs/dbraw/zinc/79/41/88/941794188.db2.gz RTYLLOQJHJGXTK-HNNXBMFYSA-N 1 0 367.428 3.559 20 30 FHEDRO CC1(C)CCC[N@H+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458839415 941798724 /nfs/dbraw/zinc/79/87/24/941798724.db2.gz MUBWZCLUDGGQAD-LJQANCHMSA-N 1 0 356.514 3.843 20 30 FHEDRO C=CCCCCNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000472797769 941810152 /nfs/dbraw/zinc/81/01/52/941810152.db2.gz ZDMQIXTUVAYXKY-PMACEKPBSA-N 1 0 357.498 3.629 20 30 FHEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000330132152 941814889 /nfs/dbraw/zinc/81/48/89/941814889.db2.gz QDIPBQAWENJZJZ-ZSZQSSIHSA-N 1 0 359.518 3.657 20 30 FHEDRO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1Cl ZINC000122589644 941817326 /nfs/dbraw/zinc/81/73/26/941817326.db2.gz PNEOTEDBTDYBPF-LJQANCHMSA-N 1 0 353.853 3.779 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)CC1 ZINC000433640878 941817698 /nfs/dbraw/zinc/81/76/98/941817698.db2.gz BWTXQBPETLAUEH-INIZCTEOSA-N 1 0 373.394 3.611 20 30 FHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)c1 ZINC000892973380 941827336 /nfs/dbraw/zinc/82/73/36/941827336.db2.gz QLIZZYVUKUERNR-GOSISDBHSA-N 1 0 352.434 3.752 20 30 FHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000892973617 941827876 /nfs/dbraw/zinc/82/78/76/941827876.db2.gz SYFBTERTIMXQJG-KSZLIROESA-N 1 0 373.497 3.760 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+]C3(c4ccc(Cl)cc4)CCCC3)cnc12 ZINC000576704296 941839157 /nfs/dbraw/zinc/83/91/57/941839157.db2.gz JRKMJZLNUFGOOX-UHFFFAOYSA-N 1 0 351.841 3.813 20 30 FHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000513320244 941845350 /nfs/dbraw/zinc/84/53/50/941845350.db2.gz KTFWPSJURYPDEX-UHFFFAOYSA-N 1 0 371.485 3.694 20 30 FHEDRO Cn1cc([C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C(C)(C)C)cn1 ZINC000513324810 941848070 /nfs/dbraw/zinc/84/80/70/941848070.db2.gz CKDBEMSCDGJPIZ-NRFANRHFSA-N 1 0 365.525 3.633 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000549291028 941856999 /nfs/dbraw/zinc/85/69/99/941856999.db2.gz UJPFAJICKOTDJY-HXUWFJFHSA-N 1 0 365.525 3.832 20 30 FHEDRO CC[NH+](CC)CCCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513371837 941880497 /nfs/dbraw/zinc/88/04/97/941880497.db2.gz MIEMFMIVWWYVPN-UHFFFAOYSA-N 1 0 365.477 3.599 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)cc(OC)c1O ZINC000377666980 941883317 /nfs/dbraw/zinc/88/33/17/941883317.db2.gz DCFLELIUJOUHBB-SFHVURJKSA-N 1 0 372.465 3.525 20 30 FHEDRO N#Cc1cc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1Oc1ccccc1 ZINC000415538530 941885728 /nfs/dbraw/zinc/88/57/28/941885728.db2.gz RZTMBEGDFBSOMJ-NRFANRHFSA-N 1 0 362.433 3.568 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@]2(CO)CCc3ccccc32)ccc1OC ZINC000135884066 941902245 /nfs/dbraw/zinc/90/22/45/941902245.db2.gz VDHWPTCGTUGJJK-QFIPXVFZSA-N 1 0 353.462 3.574 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1 ZINC000728711492 941953931 /nfs/dbraw/zinc/95/39/31/941953931.db2.gz FUYMVQGPRFQDDP-QGZVFWFLSA-N 1 0 350.466 3.653 20 30 FHEDRO C[C@H]1C[NH+](Cc2ccccc2CNc2ncc(C#N)cc2Cl)C[C@H](C)O1 ZINC000513629599 942053921 /nfs/dbraw/zinc/05/39/21/942053921.db2.gz HUWODFUEHKMPPS-GJZGRUSLSA-N 1 0 370.884 3.828 20 30 FHEDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388742638 942057543 /nfs/dbraw/zinc/05/75/43/942057543.db2.gz LKAQTZNKMAFTQC-DOTOQJQBSA-N 1 0 350.422 3.789 20 30 FHEDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415806434 942057919 /nfs/dbraw/zinc/05/79/19/942057919.db2.gz OBVBGONTCZTZPE-INIZCTEOSA-N 1 0 352.463 3.535 20 30 FHEDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415801323 942059128 /nfs/dbraw/zinc/05/91/28/942059128.db2.gz GIGJVUCMNUZXAX-KRWDZBQOSA-N 1 0 354.479 3.814 20 30 FHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccco1 ZINC000513683443 942074785 /nfs/dbraw/zinc/07/47/85/942074785.db2.gz KLFOXLGNDZUHNM-LJQANCHMSA-N 1 0 374.506 3.861 20 30 FHEDRO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000549383223 942105889 /nfs/dbraw/zinc/10/58/89/942105889.db2.gz PVTOITMIQQEMPM-UHFFFAOYSA-N 1 0 357.461 3.920 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415889635 942110453 /nfs/dbraw/zinc/11/04/53/942110453.db2.gz BXXLFRHXUOMCPB-UHFFFAOYSA-N 1 0 367.497 3.720 20 30 FHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280254878 942149517 /nfs/dbraw/zinc/14/95/17/942149517.db2.gz XGJZEWYTPXXYGH-OAQYLSRUSA-N 1 0 372.472 3.783 20 30 FHEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137872 942167985 /nfs/dbraw/zinc/16/79/85/942167985.db2.gz WHPCVVJHRRHDSD-HZPDHXFCSA-N 1 0 373.460 3.730 20 30 FHEDRO CC[NH2+]Cc1cccc(NC(=O)NCCSCc2ccccc2C#N)c1 ZINC000415938412 942169299 /nfs/dbraw/zinc/16/92/99/942169299.db2.gz YCDKSHPBSLMGCI-UHFFFAOYSA-N 1 0 368.506 3.723 20 30 FHEDRO CCC[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1 ZINC000502062794 942194128 /nfs/dbraw/zinc/19/41/28/942194128.db2.gz VENAFHNYPOZBQE-UHFFFAOYSA-N 1 0 364.449 3.509 20 30 FHEDRO CC(C)CCN(CCC#N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415962640 942202893 /nfs/dbraw/zinc/20/28/93/942202893.db2.gz UEPYWNCGJVVNQZ-UHFFFAOYSA-N 1 0 356.392 3.958 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000513699582 942211937 /nfs/dbraw/zinc/21/19/37/942211937.db2.gz AVMZWGPGRABZSN-UHFFFAOYSA-N 1 0 350.466 3.899 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000280689007 942234368 /nfs/dbraw/zinc/23/43/68/942234368.db2.gz RHAHAQGJOHTCDZ-FOIQADDNSA-N 1 0 374.506 3.802 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ncccc3C(F)(F)F)CC2)cc1 ZINC000122804980 942236633 /nfs/dbraw/zinc/23/66/33/942236633.db2.gz DBNKAWMDZDLDRC-UHFFFAOYSA-N 1 0 374.410 3.680 20 30 FHEDRO CC[N@H+](Cc1cccc(CN2CCOCC2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000420901932 942245592 /nfs/dbraw/zinc/24/55/92/942245592.db2.gz LOCOMGZQWFOQSM-LJQANCHMSA-N 1 0 363.505 3.974 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000419412718 942258577 /nfs/dbraw/zinc/25/85/77/942258577.db2.gz JKNVJCVUMRJJGM-RTWAWAEBSA-N 1 0 362.477 3.538 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000419412716 942258639 /nfs/dbraw/zinc/25/86/39/942258639.db2.gz JKNVJCVUMRJJGM-NHCUHLMSSA-N 1 0 362.477 3.538 20 30 FHEDRO C[C@@H](c1ccccc1)[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1O ZINC000179643105 942263810 /nfs/dbraw/zinc/26/38/10/942263810.db2.gz SNDNTVUXLLDDDO-SFHVURJKSA-N 1 0 365.477 3.718 20 30 FHEDRO CC[N@H+](CCOc1ccccc1C)CCC(=O)Nc1ccccc1C#N ZINC000420969516 942285234 /nfs/dbraw/zinc/28/52/34/942285234.db2.gz CFGXCPDKGWIAAW-UHFFFAOYSA-N 1 0 351.450 3.596 20 30 FHEDRO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1OCCCC#N ZINC000414490046 942301305 /nfs/dbraw/zinc/30/13/05/942301305.db2.gz UVRFYOLSVUEJMX-PMACEKPBSA-N 1 0 366.461 3.686 20 30 FHEDRO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CCCC1(C#N)CCOCC1)C2 ZINC000421039966 942312635 /nfs/dbraw/zinc/31/26/35/942312635.db2.gz MQPVKKVQTDOQAO-UHFFFAOYSA-N 1 0 358.482 3.769 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000501116595 942317412 /nfs/dbraw/zinc/31/74/12/942317412.db2.gz YLGCKGWIQKPWBD-FQEVSTJZSA-N 1 0 368.521 3.866 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(F)c2C#N)CC1 ZINC000188046399 942320155 /nfs/dbraw/zinc/32/01/55/942320155.db2.gz LWGHAKSBDGHFHW-OAHLLOKOSA-N 1 0 351.425 3.653 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCC34CCOCC4)C2)c(F)c1 ZINC000502291600 942335857 /nfs/dbraw/zinc/33/58/57/942335857.db2.gz VFDNTHKNXCHIDM-YLJYHZDGSA-N 1 0 357.473 3.605 20 30 FHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502319776 942351513 /nfs/dbraw/zinc/35/15/13/942351513.db2.gz PQBNXIHLZLTZDH-QZTJIDSGSA-N 1 0 366.509 3.620 20 30 FHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502319395 942352188 /nfs/dbraw/zinc/35/21/88/942352188.db2.gz PQBNXIHLZLTZDH-HDICACEKSA-N 1 0 366.509 3.620 20 30 FHEDRO C=C(CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000501404711 942463014 /nfs/dbraw/zinc/46/30/14/942463014.db2.gz ZLXCACCURVTVFZ-KNQAVFIVSA-N 1 0 363.505 3.910 20 30 FHEDRO CC(C)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000505330466 942486730 /nfs/dbraw/zinc/48/67/30/942486730.db2.gz KQRSYBVITWDSBH-FQEVSTJZSA-N 1 0 373.516 3.848 20 30 FHEDRO C=CCOc1cccc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)c1 ZINC000549410098 942508673 /nfs/dbraw/zinc/50/86/73/942508673.db2.gz OJROZCKHKLKQDJ-UHFFFAOYSA-N 1 0 358.507 3.760 20 30 FHEDRO COc1cc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)ccc1C#N ZINC000366901585 942508883 /nfs/dbraw/zinc/50/88/83/942508883.db2.gz UDWUTECDTVHYCP-UHFFFAOYSA-N 1 0 351.381 3.693 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)cc1 ZINC000421369879 942522087 /nfs/dbraw/zinc/52/20/87/942522087.db2.gz CPCBISZIWOBEIL-LJQANCHMSA-N 1 0 355.551 3.646 20 30 FHEDRO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502548418 942525906 /nfs/dbraw/zinc/52/59/06/942525906.db2.gz KXBIIBPXNZBDSZ-JOCHJYFZSA-N 1 0 362.473 3.704 20 30 FHEDRO Cn1cc(C[NH2+]CCc2ccc3[nH]ccc3c2)c(-c2ccc(C#N)cc2)n1 ZINC000366928296 942542956 /nfs/dbraw/zinc/54/29/56/942542956.db2.gz AIJFHZOGUWMSKX-UHFFFAOYSA-N 1 0 355.445 3.772 20 30 FHEDRO Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1C#N ZINC000541276304 942556538 /nfs/dbraw/zinc/55/65/38/942556538.db2.gz JKYKDSKHGJWDID-MRXNPFEDSA-N 1 0 360.383 3.967 20 30 FHEDRO CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000502603511 942575141 /nfs/dbraw/zinc/57/51/41/942575141.db2.gz XIRXKCOPRWFKGI-HXUWFJFHSA-N 1 0 372.465 3.658 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513895347 942585387 /nfs/dbraw/zinc/58/53/87/942585387.db2.gz CRNJBAQMXBMXMJ-HXUWFJFHSA-N 1 0 364.489 3.846 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000513898940 942587627 /nfs/dbraw/zinc/58/76/27/942587627.db2.gz SXNUERINUUXANT-MRXNPFEDSA-N 1 0 358.486 3.563 20 30 FHEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000183583036 942636635 /nfs/dbraw/zinc/63/66/35/942636635.db2.gz QDVAHADJAOXNLM-WBVHZDCISA-N 1 0 350.418 3.703 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000414535136 942684636 /nfs/dbraw/zinc/68/46/36/942684636.db2.gz KVRSPOVSAPLTMR-XLIONFOSSA-N 1 0 357.519 3.971 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](CN3CCCC3)c3ccccc3)CC2)cc1 ZINC000513753775 942708432 /nfs/dbraw/zinc/70/84/32/942708432.db2.gz FOUSLIIXZGYYEJ-DEOSSOPVSA-N 1 0 374.532 3.954 20 30 FHEDRO CCC1(CNC(=O)c2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000514056508 942710173 /nfs/dbraw/zinc/71/01/73/942710173.db2.gz FZDLITNFWKTGCM-UHFFFAOYSA-N 1 0 361.489 3.980 20 30 FHEDRO CCC[NH+](CCC)CCCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000502773548 942733023 /nfs/dbraw/zinc/73/30/23/942733023.db2.gz IAJAXSSNDMXXHT-UHFFFAOYSA-N 1 0 371.525 3.830 20 30 FHEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000421700690 942772629 /nfs/dbraw/zinc/77/26/29/942772629.db2.gz FUQXHGZLSCUWEF-SFHVURJKSA-N 1 0 365.502 3.876 20 30 FHEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000378445479 942776342 /nfs/dbraw/zinc/77/63/42/942776342.db2.gz SPUPPMRNTXWPCU-RTBURBONSA-N 1 0 362.433 3.629 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2cccc(OCC(F)F)c2)O1 ZINC000378448799 942779603 /nfs/dbraw/zinc/77/96/03/942779603.db2.gz DQFWBNDCYMAPKD-ZJPYXAASSA-N 1 0 350.409 3.660 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)O1 ZINC000378451125 942783849 /nfs/dbraw/zinc/78/38/49/942783849.db2.gz DDZDQAUNCCSHLF-DUQPFJRNSA-N 1 0 369.292 3.856 20 30 FHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1F ZINC000378459649 942792576 /nfs/dbraw/zinc/79/25/76/942792576.db2.gz GOOJQYSDCWZLFX-QKKBWIMNSA-N 1 0 364.424 3.576 20 30 FHEDRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000378459323 942793440 /nfs/dbraw/zinc/79/34/40/942793440.db2.gz ZCLCLBPNVWUNIY-MHTWAQMVSA-N 1 0 372.509 3.740 20 30 FHEDRO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000502858885 942803095 /nfs/dbraw/zinc/80/30/95/942803095.db2.gz JBJFZIUJMLZHLT-HXUWFJFHSA-N 1 0 368.502 3.624 20 30 FHEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000378475754 942804852 /nfs/dbraw/zinc/80/48/52/942804852.db2.gz PFZWUAXFSOTJLI-JRGCBEDISA-N 1 0 357.498 3.670 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434671773 942857121 /nfs/dbraw/zinc/85/71/21/942857121.db2.gz JQPBTKORZVKSKK-GFCCVEGCSA-N 1 0 351.903 3.756 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000510008173 942922074 /nfs/dbraw/zinc/92/20/74/942922074.db2.gz ZUTDMAUPJRGGJU-IBGZPJMESA-N 1 0 351.450 3.647 20 30 FHEDRO CCc1ccc([C@H]([NH2+]CCCC#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000273303100 942927720 /nfs/dbraw/zinc/92/77/20/942927720.db2.gz VCRJLZICSKLOCD-FQEVSTJZSA-N 1 0 356.491 3.635 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc(F)c(F)c1 ZINC000894265719 942948527 /nfs/dbraw/zinc/94/85/27/942948527.db2.gz WSPRJNCKLHNLBM-IBGZPJMESA-N 1 0 363.452 3.898 20 30 FHEDRO C=CCOCC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000549446686 942951398 /nfs/dbraw/zinc/95/13/98/942951398.db2.gz YYVOFVOBMLPDRU-HNNXBMFYSA-N 1 0 357.235 3.631 20 30 FHEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(c(Br)c1)OCO2 ZINC000513782958 943049473 /nfs/dbraw/zinc/04/94/73/943049473.db2.gz OLWYPDYCDWIFLR-UHFFFAOYSA-N 1 0 359.223 3.681 20 30 FHEDRO COc1ccc(C[N@@H+](Cc2ccc(OC)c(C#N)c2)CC2CC2)c(OC)c1 ZINC000503191617 943051025 /nfs/dbraw/zinc/05/10/25/943051025.db2.gz GGZYJDPTJWQMEB-UHFFFAOYSA-N 1 0 366.461 3.996 20 30 FHEDRO CC(C)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000434936917 943063353 /nfs/dbraw/zinc/06/33/53/943063353.db2.gz GYJICLRRXBGLLM-UHFFFAOYSA-N 1 0 360.461 3.917 20 30 FHEDRO CC[C@@H]([NH2+][C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(C#N)cc1 ZINC000365823565 943063605 /nfs/dbraw/zinc/06/36/05/943063605.db2.gz MEPAEOHPDMMLEF-LEWJYISDSA-N 1 0 371.488 3.796 20 30 FHEDRO C=CCc1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc(OC)c1O ZINC000434989326 943089456 /nfs/dbraw/zinc/08/94/56/943089456.db2.gz CBMCXKHCVSHAAQ-HXUWFJFHSA-N 1 0 352.478 3.618 20 30 FHEDRO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505591077 943105776 /nfs/dbraw/zinc/10/57/76/943105776.db2.gz LBRCGTLXTQEZEN-VFNWGFHPSA-N 1 0 374.444 3.634 20 30 FHEDRO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1ccccc1)[NH+](C)C ZINC000505591075 943106287 /nfs/dbraw/zinc/10/62/87/943106287.db2.gz LBRCGTLXTQEZEN-QVKFZJNVSA-N 1 0 374.444 3.634 20 30 FHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000185232119 943129510 /nfs/dbraw/zinc/12/95/10/943129510.db2.gz YUGMNPZVTFGYKU-GOSISDBHSA-N 1 0 357.498 3.881 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(-n2cccn2)c1)C(C)C ZINC000503387505 943152836 /nfs/dbraw/zinc/15/28/36/943152836.db2.gz AVDCJZHXFLUOJR-HXUWFJFHSA-N 1 0 367.497 3.692 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000272431078 943154541 /nfs/dbraw/zinc/15/45/41/943154541.db2.gz OYZROISHNACZEQ-GOSISDBHSA-N 1 0 368.525 3.896 20 30 FHEDRO C=CCC[C@H](NC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000435094598 943160375 /nfs/dbraw/zinc/16/03/75/943160375.db2.gz CVVUIBTWXVPIMX-FQEVSTJZSA-N 1 0 373.541 3.883 20 30 FHEDRO CC1(C#N)CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000272564420 943177930 /nfs/dbraw/zinc/17/79/30/943177930.db2.gz HFAVTXOIWFLOEY-UHFFFAOYSA-N 1 0 374.916 3.640 20 30 FHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(F)cc1C#N ZINC000435154889 943196156 /nfs/dbraw/zinc/19/61/56/943196156.db2.gz IAZGVAAFRMPYIE-UHFFFAOYSA-N 1 0 368.456 3.726 20 30 FHEDRO CC[N@H+](CCC1CCN(C(=O)Nc2cccc(C#N)n2)CC1)CC(C)C ZINC000514671548 943204366 /nfs/dbraw/zinc/20/43/66/943204366.db2.gz SWEOTNAMVMAGEU-UHFFFAOYSA-N 1 0 357.502 3.565 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(F)(c3ccccc3)CC2)CC1 ZINC000434197690 943221468 /nfs/dbraw/zinc/22/14/68/943221468.db2.gz KSZRUHFJGOIGAK-UHFFFAOYSA-N 1 0 359.489 3.697 20 30 FHEDRO C[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000458846626 943222482 /nfs/dbraw/zinc/22/24/82/943222482.db2.gz RCJUGQXTBOARAB-YLJYHZDGSA-N 1 0 354.498 3.547 20 30 FHEDRO C[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000458846625 943222574 /nfs/dbraw/zinc/22/25/74/943222574.db2.gz RCJUGQXTBOARAB-XLIONFOSSA-N 1 0 354.498 3.547 20 30 FHEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185808680 943227720 /nfs/dbraw/zinc/22/77/20/943227720.db2.gz LIONAEKFUPCLMG-VBHSOAQHSA-N 1 0 367.415 3.595 20 30 FHEDRO CN(C(=O)CN1CC=C(c2ccc(F)cc2)CC1)C1(C#N)CCCCC1 ZINC000514748875 943264884 /nfs/dbraw/zinc/26/48/84/943264884.db2.gz YXJQRJUWNCWSOO-UHFFFAOYSA-N 1 0 355.457 3.600 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cccnc4CC3)C2)c(F)c1 ZINC000514787637 943290089 /nfs/dbraw/zinc/29/00/89/943290089.db2.gz SJSKEWYPVUWYQB-RTBURBONSA-N 1 0 364.468 3.598 20 30 FHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C2)C1 ZINC000505652903 943300826 /nfs/dbraw/zinc/30/08/26/943300826.db2.gz BRTGAJGRGQZWQE-QFIPXVFZSA-N 1 0 364.493 3.503 20 30 FHEDRO C=CCOc1cccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435390080 943377415 /nfs/dbraw/zinc/37/74/15/943377415.db2.gz NTJZNBRLHKCJAG-NRFANRHFSA-N 1 0 351.494 3.791 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000503901598 943399113 /nfs/dbraw/zinc/39/91/13/943399113.db2.gz LOSSLYOHAYZVHG-GOSISDBHSA-N 1 0 357.816 3.636 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000582103528 943403057 /nfs/dbraw/zinc/40/30/57/943403057.db2.gz VCBJNWONEPYCNA-BQFCYCMXSA-N 1 0 370.415 3.593 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000425393569 943479310 /nfs/dbraw/zinc/47/93/10/943479310.db2.gz JKQHBHWPSABHAM-MRXNPFEDSA-N 1 0 350.466 3.522 20 30 FHEDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1F ZINC000423358572 943489914 /nfs/dbraw/zinc/48/99/14/943489914.db2.gz BTFJTWOJDXTCTA-SLSDUTBNSA-N 1 0 359.395 3.772 20 30 FHEDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000423379955 943495997 /nfs/dbraw/zinc/49/59/97/943495997.db2.gz YHFRWCCWRVTTCY-KRYHZZBUSA-N 1 0 359.395 3.772 20 30 FHEDRO C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000423481464 943528114 /nfs/dbraw/zinc/52/81/14/943528114.db2.gz WRMQIOHIBQUQKY-CFLQYTFWSA-N 1 0 355.432 3.880 20 30 FHEDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(OC)c(O[C@@H](C#N)CC)c1 ZINC000162395972 943552878 /nfs/dbraw/zinc/55/28/78/943552878.db2.gz JONXUFJRAAYYHV-MRXNPFEDSA-N 1 0 370.497 3.524 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000664498066 943570749 /nfs/dbraw/zinc/57/07/49/943570749.db2.gz ULVGNLZOJIIABP-SFTDATJTSA-N 1 0 371.525 3.590 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000435749764 943584071 /nfs/dbraw/zinc/58/40/71/943584071.db2.gz VNJHFIQRRDHYDG-KDOFPFPSSA-N 1 0 364.283 3.796 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000435745387 943594939 /nfs/dbraw/zinc/59/49/39/943594939.db2.gz MLAJLOLXEOQBQG-IFMALSPDSA-N 1 0 353.510 3.927 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000504508857 943648681 /nfs/dbraw/zinc/64/86/81/943648681.db2.gz GKOVYWHPHMXSRO-GOSISDBHSA-N 1 0 358.526 3.763 20 30 FHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccccn3)sc2C1 ZINC000584825851 943696330 /nfs/dbraw/zinc/69/63/30/943696330.db2.gz JALDBNPJLVYILX-CQSZACIVSA-N 1 0 368.506 3.600 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000424069771 943707725 /nfs/dbraw/zinc/70/77/25/943707725.db2.gz QQGAHAMFDSIRAD-APWZRJJASA-N 1 0 366.465 3.691 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000424069581 943708416 /nfs/dbraw/zinc/70/84/16/943708416.db2.gz PZYUZMJDNADLNU-WMLDXEAASA-N 1 0 356.495 3.625 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000424102453 943718951 /nfs/dbraw/zinc/71/89/51/943718951.db2.gz BDXATDLYPHCPEB-MRXNPFEDSA-N 1 0 367.415 3.655 20 30 FHEDRO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000424114426 943738563 /nfs/dbraw/zinc/73/85/63/943738563.db2.gz RCICTPRGRNOWHP-YWZLYKJASA-N 1 0 369.440 3.603 20 30 FHEDRO CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Cc1ccc(Cl)cc1Cl ZINC000424135208 943747727 /nfs/dbraw/zinc/74/77/27/943747727.db2.gz JCIFEQPNLHANBT-PBHICJAKSA-N 1 0 370.324 3.945 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000424178212 943761399 /nfs/dbraw/zinc/76/13/99/943761399.db2.gz VSRYHBCPLBQUHE-BBRMVZONSA-N 1 0 362.271 3.520 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000424179546 943762518 /nfs/dbraw/zinc/76/25/18/943762518.db2.gz YVHDGXCERMSLQQ-RXVVDRJESA-N 1 0 360.461 3.615 20 30 FHEDRO CC(C)c1c(NC(=O)[C@@H]([NH3+])CCCC#N)cnn1-c1ccc(Cl)cc1 ZINC000424164670 943770102 /nfs/dbraw/zinc/77/01/02/943770102.db2.gz CPBKXLOTULETIS-HNNXBMFYSA-N 1 0 359.861 3.609 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000424172793 943774356 /nfs/dbraw/zinc/77/43/56/943774356.db2.gz MEHOPLWDFRUFQU-BBRMVZONSA-N 1 0 362.271 3.520 20 30 FHEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)c(OC(F)F)c1 ZINC000437411488 943784849 /nfs/dbraw/zinc/78/48/49/943784849.db2.gz WAKKZCQUXFILPU-UHFFFAOYSA-N 1 0 371.431 3.868 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)c(OC(F)F)c1 ZINC000437426477 943797999 /nfs/dbraw/zinc/79/79/99/943797999.db2.gz KVJSNDUCITZZEU-UHFFFAOYSA-N 1 0 357.404 3.872 20 30 FHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000424255321 943807970 /nfs/dbraw/zinc/80/79/70/943807970.db2.gz UMKGSCFVVMAAJL-KRWDZBQOSA-N 1 0 363.575 3.733 20 30 FHEDRO C[C@H](CC[NH3+])NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414906712 943863882 /nfs/dbraw/zinc/86/38/82/943863882.db2.gz PNXWQHDSKLZRRN-CXAGYDPISA-N 1 0 356.857 3.854 20 30 FHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000506056291 943867139 /nfs/dbraw/zinc/86/71/39/943867139.db2.gz SJNICLBGBJWKKM-UHFFFAOYSA-N 1 0 355.869 3.983 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425429215 943889036 /nfs/dbraw/zinc/88/90/36/943889036.db2.gz ZIPXLQPFESNSJP-FFZOFVMBSA-N 1 0 354.498 3.552 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000437567656 943924932 /nfs/dbraw/zinc/92/49/32/943924932.db2.gz JHWJPBMGWPZUKP-GOSISDBHSA-N 1 0 353.384 3.829 20 30 FHEDRO C=CCCO[C@H](C)C(=O)N(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000505001260 943954035 /nfs/dbraw/zinc/95/40/35/943954035.db2.gz QQEBLKLEGZVGRV-TZIWHRDSSA-N 1 0 358.526 3.871 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000437605151 943962243 /nfs/dbraw/zinc/96/22/43/943962243.db2.gz RIVAWPNEYCHAAO-AVRDEDQJSA-N 1 0 358.526 3.764 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000425452648 943975527 /nfs/dbraw/zinc/97/55/27/943975527.db2.gz ZXBHDMNWKFSQDN-OXQOHEQNSA-N 1 0 354.498 3.525 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000425452649 943976001 /nfs/dbraw/zinc/97/60/01/943976001.db2.gz ZXBHDMNWKFSQDN-UZLBHIALSA-N 1 0 354.498 3.525 20 30 FHEDRO C=CCCc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000505030098 943987602 /nfs/dbraw/zinc/98/76/02/943987602.db2.gz SLOQOKOLSYLRGX-UHFFFAOYSA-N 1 0 359.514 3.816 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000437642956 943991613 /nfs/dbraw/zinc/99/16/13/943991613.db2.gz BCGPZWLZBDEGPT-FXAWDEMLSA-N 1 0 364.555 3.866 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000425454474 943994521 /nfs/dbraw/zinc/99/45/21/943994521.db2.gz RVFRKXDLKZNOGR-OAHLLOKOSA-N 1 0 368.456 3.662 20 30 FHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(C4(C#N)CC4)cc3)cccc21 ZINC000515570192 944003117 /nfs/dbraw/zinc/00/31/17/944003117.db2.gz BSTJTYYMQHOMRM-IBGZPJMESA-N 1 0 361.445 3.879 20 30 FHEDRO C=CCOc1c(Br)cc(CNCC([NH3+])(CC)CC)cc1OC ZINC000414800743 944003245 /nfs/dbraw/zinc/00/32/45/944003245.db2.gz IMVYPOHQVAPKKM-UHFFFAOYSA-N 1 0 371.319 3.630 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000425457139 944013878 /nfs/dbraw/zinc/01/38/78/944013878.db2.gz XYQJJNNQBCEESJ-MGPUTAFESA-N 1 0 368.456 3.703 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C(C)C)C[C@H]1C ZINC000566544497 944029849 /nfs/dbraw/zinc/02/98/49/944029849.db2.gz RIGAVRSTBXIUEW-VQIMIIECSA-N 1 0 366.513 3.707 20 30 FHEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2sccc21 ZINC000515599129 944036564 /nfs/dbraw/zinc/03/65/64/944036564.db2.gz HWPVZRMTVRNWON-MDASCCDHSA-N 1 0 365.502 3.949 20 30 FHEDRO C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417983633 944038190 /nfs/dbraw/zinc/03/81/90/944038190.db2.gz CIFYFPHFKWNSEM-RYRKJORJSA-N 1 0 362.477 3.665 20 30 FHEDRO C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990241 944045914 /nfs/dbraw/zinc/04/59/14/944045914.db2.gz KDHMGQMIOYJFAJ-IXDOHACOSA-N 1 0 362.477 3.678 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccc(F)c(F)c1 ZINC000418030792 944077823 /nfs/dbraw/zinc/07/78/23/944077823.db2.gz NERPLIQJCFCJDO-SFHVURJKSA-N 1 0 363.452 3.757 20 30 FHEDRO CCN1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000515656475 944081407 /nfs/dbraw/zinc/08/14/07/944081407.db2.gz GJDWJGWOJCPLPK-QUCCMNQESA-N 1 0 359.395 3.901 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000517190966 944087165 /nfs/dbraw/zinc/08/71/65/944087165.db2.gz AELITSBZGFZVFI-OYNPSCLESA-N 1 0 356.510 3.516 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000425487952 944092352 /nfs/dbraw/zinc/09/23/52/944092352.db2.gz ZQCMANVGDYIXMB-CBGDNZLLSA-N 1 0 356.514 3.771 20 30 FHEDRO C=CCC1(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424766880 944106210 /nfs/dbraw/zinc/10/62/10/944106210.db2.gz KLKAOHGTZWWTQY-CTNGQTDRSA-N 1 0 370.537 3.776 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000517225713 944122675 /nfs/dbraw/zinc/12/26/75/944122675.db2.gz FGOBTJAWYNYWSR-UHFFFAOYSA-N 1 0 359.539 3.599 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000436294105 944180616 /nfs/dbraw/zinc/18/06/16/944180616.db2.gz PMAQHKURYRBZIK-NJSLBKSFSA-N 1 0 366.889 3.637 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1I ZINC000436307127 944190200 /nfs/dbraw/zinc/19/02/00/944190200.db2.gz JYRPRNSXHCPXGB-XEZPLFJOSA-N 1 0 371.262 3.923 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000517316927 944205956 /nfs/dbraw/zinc/20/59/56/944205956.db2.gz SSUZXCBBQBESDX-HXUWFJFHSA-N 1 0 369.472 3.807 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c([N+](=O)[O-])cc1OC ZINC000418147194 944208988 /nfs/dbraw/zinc/20/89/88/944208988.db2.gz QOCHKVRYBPLNTF-QGZVFWFLSA-N 1 0 367.405 3.651 20 30 FHEDRO CSc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425528937 944239154 /nfs/dbraw/zinc/23/91/54/944239154.db2.gz AAPMZVNBMBDCDL-QAPCUYQASA-N 1 0 356.491 3.713 20 30 FHEDRO N#Cc1nc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1Cl ZINC000518298493 944245778 /nfs/dbraw/zinc/24/57/78/944245778.db2.gz JYBDKOQICSMWCG-KRWDZBQOSA-N 1 0 361.276 3.931 20 30 FHEDRO CCOc1ccc(NC(=O)CC[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425533295 944262289 /nfs/dbraw/zinc/26/22/89/944262289.db2.gz KOIAZRAZMBXBLB-MRXNPFEDSA-N 1 0 351.450 3.979 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000418207758 944266808 /nfs/dbraw/zinc/26/68/08/944266808.db2.gz CBVXNYWKDMPUGD-HBMCJLEFSA-N 1 0 362.477 3.558 20 30 FHEDRO CCC(CC)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)[NH+](C)C ZINC000437983440 944266935 /nfs/dbraw/zinc/26/69/35/944266935.db2.gz XSEQIJRIJLONKH-HNNXBMFYSA-N 1 0 368.428 3.648 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000437982951 944267159 /nfs/dbraw/zinc/26/71/59/944267159.db2.gz GMWFKPGZDUGCPS-RTWAWAEBSA-N 1 0 373.541 3.521 20 30 FHEDRO CCC(CC)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)[NH+](C)C ZINC000437983441 944267219 /nfs/dbraw/zinc/26/72/19/944267219.db2.gz XSEQIJRIJLONKH-OAHLLOKOSA-N 1 0 368.428 3.648 20 30 FHEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000184215589 944278181 /nfs/dbraw/zinc/27/81/81/944278181.db2.gz FWWPILGXZHZHMO-UHFFFAOYSA-N 1 0 364.449 3.908 20 30 FHEDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000438027690 944295281 /nfs/dbraw/zinc/29/52/81/944295281.db2.gz BBLDTLDYMYZOLW-HNNXBMFYSA-N 1 0 352.438 3.812 20 30 FHEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(-n2cncn2)cc1 ZINC000517438649 944297676 /nfs/dbraw/zinc/29/76/76/944297676.db2.gz IKFSCJHIGFBCEF-UHFFFAOYSA-N 1 0 350.470 3.623 20 30 FHEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCCC(C)C)c(OC)c2)C1=O ZINC000499601948 944314159 /nfs/dbraw/zinc/31/41/59/944314159.db2.gz HHTZVENGOZRLLJ-FUHWJXTLSA-N 1 0 360.498 3.558 20 30 FHEDRO N#Cc1csc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000438062770 944322162 /nfs/dbraw/zinc/32/21/62/944322162.db2.gz OFLYAJXRJHCNSF-UHFFFAOYSA-N 1 0 353.491 3.926 20 30 FHEDRO COc1cc2cc(C#N)c(NCCC[N@@H+]3CCCC[C@H]3C)nc2cc1OC ZINC001167751337 944341985 /nfs/dbraw/zinc/34/19/85/944341985.db2.gz JRBWXUVFNZJZOI-OAHLLOKOSA-N 1 0 368.481 3.800 20 30 FHEDRO COc1ccc(F)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000550174758 944343125 /nfs/dbraw/zinc/34/31/25/944343125.db2.gz GJTGZUCWYBKUSA-UHFFFAOYSA-N 1 0 355.413 3.581 20 30 FHEDRO C[C@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000518388606 944344749 /nfs/dbraw/zinc/34/47/49/944344749.db2.gz HQIWLTKAXVUOBG-KRWDZBQOSA-N 1 0 373.500 3.893 20 30 FHEDRO N#Cc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1Cl ZINC000123397161 944355161 /nfs/dbraw/zinc/35/51/61/944355161.db2.gz PRTJCBYVLPCEBQ-UHFFFAOYSA-N 1 0 359.901 3.940 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCCNc1nc(C#N)c(C#N)nc1-c1ccccc1 ZINC001167752592 944357467 /nfs/dbraw/zinc/35/74/67/944357467.db2.gz WMIBRGJYPVAOQH-INIZCTEOSA-N 1 0 360.465 3.563 20 30 FHEDRO CCn1cc(NCCC[N@@H+]2CCCC[C@@H]2C)c2sc(C#N)cc2c1=O ZINC001167753219 944370875 /nfs/dbraw/zinc/37/08/75/944370875.db2.gz FEFUZADVPGPVRQ-AWEZNQCLSA-N 1 0 358.511 3.631 20 30 FHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000518444453 944381199 /nfs/dbraw/zinc/38/11/99/944381199.db2.gz RQFMLGPSDUWUQA-UHFFFAOYSA-N 1 0 369.488 3.725 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000518443960 944381379 /nfs/dbraw/zinc/38/13/79/944381379.db2.gz NIXJGNORJJBUIU-HNNXBMFYSA-N 1 0 371.456 3.735 20 30 FHEDRO CC[C@H](NCc1cccc(OCCCC#N)c1)c1nnc2n1CCCCC2 ZINC000517551623 944384942 /nfs/dbraw/zinc/38/49/42/944384942.db2.gz RSQTWWMGXGDAPY-IBGZPJMESA-N 1 0 367.497 3.928 20 30 FHEDRO N#Cc1ccc2ncc(C[NH2+]CCCc3cccc(Br)c3)n2c1 ZINC000123698292 944398255 /nfs/dbraw/zinc/39/82/55/944398255.db2.gz UXBWYIHXMYOWAQ-UHFFFAOYSA-N 1 0 369.266 3.691 20 30 FHEDRO N#Cc1cccc([C@H](O)C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC001167977036 944408125 /nfs/dbraw/zinc/40/81/25/944408125.db2.gz XLGCPSVIQMPXCM-LJQANCHMSA-N 1 0 356.853 3.541 20 30 FHEDRO N#Cc1ccc(Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000517636409 944456671 /nfs/dbraw/zinc/45/66/71/944456671.db2.gz GWRYLVGGALIVHQ-UHFFFAOYSA-N 1 0 368.462 3.801 20 30 FHEDRO Cc1ccc([C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)N2CCOCC2)cc1 ZINC000566650124 944471304 /nfs/dbraw/zinc/47/13/04/944471304.db2.gz RJAKGQPEBUIAMN-DHIUTWEWSA-N 1 0 361.489 3.517 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3ccccc3F)CC2)cc1 ZINC000017517655 944479325 /nfs/dbraw/zinc/47/93/25/944479325.db2.gz SBBPLQAGWCPPTL-UHFFFAOYSA-N 1 0 368.481 3.602 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506530299 944488358 /nfs/dbraw/zinc/48/83/58/944488358.db2.gz GFDKUHQNYWVUEV-IRXDYDNUSA-N 1 0 371.500 3.603 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000518581848 944506739 /nfs/dbraw/zinc/50/67/39/944506739.db2.gz RNLNRXUCGLSQDQ-WMLDXEAASA-N 1 0 353.491 3.780 20 30 FHEDRO CCC[N@H+](C)CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000518575698 944516245 /nfs/dbraw/zinc/51/62/45/944516245.db2.gz LQDJYQTUEJIXGJ-UHFFFAOYSA-N 1 0 351.450 3.612 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000506216042 944531041 /nfs/dbraw/zinc/53/10/41/944531041.db2.gz FHUUCUUOTXUWAL-UHFFFAOYSA-N 1 0 367.880 3.915 20 30 FHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1 ZINC000517734167 944545956 /nfs/dbraw/zinc/54/59/56/944545956.db2.gz BMTPOURWWZGDNA-INIZCTEOSA-N 1 0 357.461 3.561 20 30 FHEDRO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(C#N)cc3Cl)CC2)C[C@@H](C)O1 ZINC000439422176 944594470 /nfs/dbraw/zinc/59/44/70/944594470.db2.gz MKPZAHZLYJIMSD-HZPDHXFCSA-N 1 0 361.917 3.533 20 30 FHEDRO C[C@H]1CCC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000516241835 944611014 /nfs/dbraw/zinc/61/10/14/944611014.db2.gz SHWQIEDDKXARHV-GHTZIAJQSA-N 1 0 368.525 3.602 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccc(C#N)o3)n2)cc1 ZINC000426388697 944625184 /nfs/dbraw/zinc/62/51/84/944625184.db2.gz AECSKHVZRAHIKS-UHFFFAOYSA-N 1 0 352.394 3.589 20 30 FHEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000438472072 944632978 /nfs/dbraw/zinc/63/29/78/944632978.db2.gz WFKCQXQTFFMKKJ-NRFANRHFSA-N 1 0 350.462 3.791 20 30 FHEDRO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000439455590 944639892 /nfs/dbraw/zinc/63/98/92/944639892.db2.gz UZMMDAMBJSZVCR-ZDUSSCGKSA-N 1 0 358.825 3.614 20 30 FHEDRO C[C@@H](C[NH2+]C1CCC(Oc2ncccc2C#N)CC1)CC1CCOCC1 ZINC000438478686 944656756 /nfs/dbraw/zinc/65/67/56/944656756.db2.gz NOBQKWLKISASNI-PBPGXSGUSA-N 1 0 357.498 3.686 20 30 FHEDRO CSCCC[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000439475956 944659663 /nfs/dbraw/zinc/65/96/63/944659663.db2.gz GORBKYXMXNLVND-UHFFFAOYSA-N 1 0 353.919 3.580 20 30 FHEDRO C[C@H]1CCCC[C@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000518735275 944687255 /nfs/dbraw/zinc/68/72/55/944687255.db2.gz FUZDVVCQQWPMQT-RXVVDRJESA-N 1 0 353.510 3.809 20 30 FHEDRO C=CCOc1ccccc1CNC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390678683 944692860 /nfs/dbraw/zinc/69/28/60/944692860.db2.gz VBSWZKJXDMSZRC-QFIPXVFZSA-N 1 0 366.505 3.632 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccnc1 ZINC000181644496 944703894 /nfs/dbraw/zinc/70/38/94/944703894.db2.gz VGIYUQGEMMALSG-LSDHHAIUSA-N 1 0 354.479 3.623 20 30 FHEDRO C[NH+](C)CC1(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCC1 ZINC000439504550 944708825 /nfs/dbraw/zinc/70/88/25/944708825.db2.gz LTDXICDLVUCZPD-UHFFFAOYSA-N 1 0 364.449 3.956 20 30 FHEDRO CC(C)[NH+](CCN(C)CC(=O)c1cn(CCC#N)c2ccccc12)C(C)C ZINC000505890097 944718418 /nfs/dbraw/zinc/71/84/18/944718418.db2.gz NIZXGTDUIXTYRK-UHFFFAOYSA-N 1 0 368.525 3.788 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000429801369 944730762 /nfs/dbraw/zinc/73/07/62/944730762.db2.gz LXWVJYQWZNFZMD-UONOGXRCSA-N 1 0 355.507 3.932 20 30 FHEDRO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(C#N)cc1 ZINC000518813992 944808493 /nfs/dbraw/zinc/80/84/93/944808493.db2.gz JDPDNJKHSVIUKH-LAUBAEHRSA-N 1 0 368.525 3.963 20 30 FHEDRO N#Cc1cccc(F)c1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000505907181 944846356 /nfs/dbraw/zinc/84/63/56/944846356.db2.gz KQBBSUNPBMVJDR-UHFFFAOYSA-N 1 0 365.452 3.542 20 30 FHEDRO CC(C)(CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000438638587 944873267 /nfs/dbraw/zinc/87/32/67/944873267.db2.gz YJQZXBFKEMASDD-UHFFFAOYSA-N 1 0 368.403 3.963 20 30 FHEDRO CC(C)(CC#N)CNC(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000425687524 944924423 /nfs/dbraw/zinc/92/44/23/944924423.db2.gz YXFCAUBTBYIQCG-UHFFFAOYSA-N 1 0 351.454 3.948 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c(F)c1 ZINC000518009495 944928490 /nfs/dbraw/zinc/92/84/90/944928490.db2.gz DTSXWGFIBLFQAB-UHFFFAOYSA-N 1 0 352.409 3.676 20 30 FHEDRO COc1cc(C)c(C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1OC ZINC000516514231 944962415 /nfs/dbraw/zinc/96/24/15/944962415.db2.gz MQFMMDAMGLJINA-UHFFFAOYSA-N 1 0 354.450 3.533 20 30 FHEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc(C#N)cs1 ZINC000473593355 944977299 /nfs/dbraw/zinc/97/72/99/944977299.db2.gz MFGVSIKKQJROPQ-LJQANCHMSA-N 1 0 367.518 3.823 20 30 FHEDRO CC(C)C[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000425708328 944991457 /nfs/dbraw/zinc/99/14/57/944991457.db2.gz ZMTZQBLCXBOWGX-RAUXBKROSA-N 1 0 356.514 3.743 20 30 FHEDRO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000473593832 945001132 /nfs/dbraw/zinc/00/11/32/945001132.db2.gz SABSGYFBCSNDOV-SJLPKXTDSA-N 1 0 354.416 3.998 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000111388873 945004256 /nfs/dbraw/zinc/00/42/56/945004256.db2.gz DJESTWKCPQJEKH-KSSFIOAISA-N 1 0 369.852 3.526 20 30 FHEDRO CC[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(F)cn1 ZINC000437089586 945010925 /nfs/dbraw/zinc/01/09/25/945010925.db2.gz NTCXSNYLCZLGPD-DAWZGUTISA-N 1 0 354.429 3.918 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@]2(c3cccc(C)c3)C[C@H]2CC)CC1 ZINC000507185194 945015659 /nfs/dbraw/zinc/01/56/59/945015659.db2.gz YSFJVFRLEIYOEC-XMSQKQJNSA-N 1 0 355.526 3.960 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)s1 ZINC000511755332 945023413 /nfs/dbraw/zinc/02/34/13/945023413.db2.gz QDLAVBQMWGMWHF-GOSISDBHSA-N 1 0 353.491 3.650 20 30 FHEDRO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438783404 945027080 /nfs/dbraw/zinc/02/70/80/945027080.db2.gz PQWDGUIMFHRTKH-INIZCTEOSA-N 1 0 371.843 3.576 20 30 FHEDRO COc1ccc(C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C(C)(C)C)cc1 ZINC000516600456 945043645 /nfs/dbraw/zinc/04/36/45/945043645.db2.gz ZHBMIZQVJHIGIM-LJQANCHMSA-N 1 0 368.477 3.607 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000330189379 945394286 /nfs/dbraw/zinc/39/42/86/945394286.db2.gz LTHMDHCJQCSAMM-CVEARBPZSA-N 1 0 374.460 3.635 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCCC1(C)C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000330211387 945405202 /nfs/dbraw/zinc/40/52/02/945405202.db2.gz JEVZEGXDYIKUBF-LRDDRELGSA-N 1 0 361.442 3.517 20 30 FHEDRO CN(CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CC(F)(F)F ZINC000507652651 945405576 /nfs/dbraw/zinc/40/55/76/945405576.db2.gz JODWMPLGVCADME-UHFFFAOYSA-N 1 0 353.432 3.864 20 30 FHEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330215794 945406027 /nfs/dbraw/zinc/40/60/27/945406027.db2.gz HIAWLRDZWLKTLA-NKELODKYSA-N 1 0 353.466 3.832 20 30 FHEDRO CC(C)C1CCC([NH+]2CCN(CCOc3cccc(C#N)c3)CC2)CC1 ZINC000440330239 945410814 /nfs/dbraw/zinc/41/08/14/945410814.db2.gz XQMBCKIWJDOVJK-UHFFFAOYSA-N 1 0 355.526 3.769 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000330255222 945427765 /nfs/dbraw/zinc/42/77/65/945427765.db2.gz JWGLZBXWCQXCCT-COLVAYQJSA-N 1 0 353.260 3.583 20 30 FHEDRO COc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)ccc1N1CCCC1=O ZINC000330255015 945427976 /nfs/dbraw/zinc/42/79/76/945427976.db2.gz BBWYPVKIPKIMTN-INIZCTEOSA-N 1 0 359.470 3.675 20 30 FHEDRO CC[N@H+](C[C@H](O)COc1ccc(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000507701199 945466416 /nfs/dbraw/zinc/46/64/16/945466416.db2.gz IZTHXSFNYULJJH-RXVVDRJESA-N 1 0 352.478 3.998 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415011601 945474307 /nfs/dbraw/zinc/47/43/07/945474307.db2.gz QUTHLIYAZVIPGP-WBVHZDCISA-N 1 0 350.422 3.742 20 30 FHEDRO [NH3+]CCc1cn(-c2cc(/C=N/O)cc(C(F)(F)F)c2)c2ccc(O)cc12 ZINC001167987310 945508032 /nfs/dbraw/zinc/50/80/32/945508032.db2.gz LMOMVTGTWZNMJE-NUGSKGIGSA-N 1 0 363.339 3.664 20 30 FHEDRO C=CCNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccccc1 ZINC000027058989 945508966 /nfs/dbraw/zinc/50/89/66/945508966.db2.gz MPCXLANUCVEWER-UHFFFAOYSA-O 1 0 351.495 3.567 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000660811291 945517816 /nfs/dbraw/zinc/51/78/16/945517816.db2.gz HJEXFPFKYIPVOG-PMXSJFBMSA-N 1 0 353.510 3.932 20 30 FHEDRO O=C(CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)N1CCCc2ccccc21 ZINC000330316678 945539224 /nfs/dbraw/zinc/53/92/24/945539224.db2.gz ZNAFJLAUEGLIDQ-HXUWFJFHSA-N 1 0 369.509 3.719 20 30 FHEDRO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C#N)C2 ZINC001270803119 945552287 /nfs/dbraw/zinc/55/22/87/945552287.db2.gz GNUNBKHVTHXDAF-NSHGMRRFSA-N 1 0 353.510 3.921 20 30 FHEDRO N#Cc1ccccc1C(=O)N1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001270804696 945573638 /nfs/dbraw/zinc/57/36/38/945573638.db2.gz SHTMTLNLKXLBIX-UHFFFAOYSA-N 1 0 351.494 3.819 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000281360467 945613161 /nfs/dbraw/zinc/61/31/61/945613161.db2.gz SGGSZSONDCJTOP-NQIIRXRSSA-N 1 0 363.461 3.586 20 30 FHEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000519664823 945637318 /nfs/dbraw/zinc/63/73/18/945637318.db2.gz YEILJILAFVPMSF-ORAYPTAESA-N 1 0 354.841 3.725 20 30 FHEDRO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509845 945659231 /nfs/dbraw/zinc/65/92/31/945659231.db2.gz YRWIWXQOOXLRAU-PZJWPPBQSA-N 1 0 355.526 3.587 20 30 FHEDRO CC[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000281529975 945670842 /nfs/dbraw/zinc/67/08/42/945670842.db2.gz ZXKCXPPJERDONT-OAQYLSRUSA-N 1 0 355.526 3.683 20 30 FHEDRO COc1ccc2c(c1)CCC[C@H]2CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000164306490 945689615 /nfs/dbraw/zinc/68/96/15/945689615.db2.gz XUOQNLPRRLERAH-HNNXBMFYSA-N 1 0 369.465 3.559 20 30 FHEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000281685449 945810503 /nfs/dbraw/zinc/81/05/03/945810503.db2.gz MQASFOLMWZPJJL-OAHLLOKOSA-N 1 0 351.450 3.841 20 30 FHEDRO CC[C@H](C#N)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000593419457 945827094 /nfs/dbraw/zinc/82/70/94/945827094.db2.gz VLEHQFKKQJKBHP-CZUORRHYSA-N 1 0 355.404 3.754 20 30 FHEDRO [NH2+]=C(NCc1nc(C(F)(F)F)cs1)Nc1cccc2c1CCCC2 ZINC000262502068 945852689 /nfs/dbraw/zinc/85/26/89/945852689.db2.gz ACJRGJOTIHNQPP-UHFFFAOYSA-N 1 0 354.401 3.968 20 30 FHEDRO N#CC1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CCCC1 ZINC000523044083 945855530 /nfs/dbraw/zinc/85/55/30/945855530.db2.gz LHKRCTKEEXXBPI-UHFFFAOYSA-N 1 0 368.481 3.524 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000111233797 945862898 /nfs/dbraw/zinc/86/28/98/945862898.db2.gz IKDGBLRABZUHHF-MRXNPFEDSA-N 1 0 354.498 3.555 20 30 FHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000125397085 945865937 /nfs/dbraw/zinc/86/59/37/945865937.db2.gz PHWJJBTYIZRRTD-UHFFFAOYSA-N 1 0 368.868 3.970 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000550105929 945872442 /nfs/dbraw/zinc/87/24/42/945872442.db2.gz YBXGLNXNMHRLBS-GZBFAFLISA-N 1 0 367.287 3.553 20 30 FHEDRO C=CCOCCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000550105833 945872732 /nfs/dbraw/zinc/87/27/32/945872732.db2.gz VBLGMXJFPKRTQN-QHCPKHFHSA-N 1 0 365.521 3.751 20 30 FHEDRO C#C[C@H]([NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(C)(C)C ZINC000894517328 945873289 /nfs/dbraw/zinc/87/32/89/945873289.db2.gz IIVOSHSTTYUERY-SJORKVTESA-N 1 0 364.530 3.573 20 30 FHEDRO CCOc1cccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1OC(F)F ZINC000281838276 945878112 /nfs/dbraw/zinc/87/81/12/945878112.db2.gz YFXYCJBCTBKPDA-UHFFFAOYSA-N 1 0 362.376 3.857 20 30 FHEDRO N#CC1(CCC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000281869053 945896848 /nfs/dbraw/zinc/89/68/48/945896848.db2.gz BZXAGAWTUPBLGY-UHFFFAOYSA-N 1 0 373.453 3.539 20 30 FHEDRO CC1(C)CN(C(=O)/C=C\c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000729459892 945897155 /nfs/dbraw/zinc/89/71/55/945897155.db2.gz DIZJPVVXIHTVFR-SEYXRHQNSA-N 1 0 359.473 3.694 20 30 FHEDRO N#CC1(CCC[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CCOCC1 ZINC000281899030 945917275 /nfs/dbraw/zinc/91/72/75/945917275.db2.gz FMMDWAPKTCQYCC-GOSISDBHSA-N 1 0 352.482 3.601 20 30 FHEDRO N#CC(CCSc1nc(N)cc(N)[nH+]1)(c1ccccc1)c1ccccc1 ZINC000193066654 945941073 /nfs/dbraw/zinc/94/10/73/945941073.db2.gz XJPQRQUSCPTULD-UHFFFAOYSA-N 1 0 361.474 3.633 20 30 FHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000236719761 945976841 /nfs/dbraw/zinc/97/68/41/945976841.db2.gz ALDIFHTVIMQFAA-IBGZPJMESA-N 1 0 372.509 3.825 20 30 FHEDRO C=CC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(OC)cc1 ZINC000054271970 946015652 /nfs/dbraw/zinc/01/56/52/946015652.db2.gz LWFZAKOXMJYTEC-UHFFFAOYSA-N 1 0 355.463 3.645 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000440910553 946023848 /nfs/dbraw/zinc/02/38/48/946023848.db2.gz JDTLKEXNCMTXLH-GXTWGEPZSA-N 1 0 368.399 3.625 20 30 FHEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000651822380 946025041 /nfs/dbraw/zinc/02/50/41/946025041.db2.gz UZUHABFRDOEUGK-PGRDOPGGSA-N 1 0 355.526 3.944 20 30 FHEDRO C=CC[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000661380080 946052480 /nfs/dbraw/zinc/05/24/80/946052480.db2.gz DRHXWFPVKORDCV-QFBILLFUSA-N 1 0 355.507 3.637 20 30 FHEDRO COc1ccc(CC(N)=NOCc2nc(-c3cccs3)oc2C)cc1 ZINC000125451690 946086906 /nfs/dbraw/zinc/08/69/06/946086906.db2.gz BEEMEACIYNNIKP-UHFFFAOYSA-N 1 0 357.435 3.752 20 30 FHEDRO C[C@@H](CCNC(=O)NCC1CCC(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000441000962 946099534 /nfs/dbraw/zinc/09/95/34/946099534.db2.gz RXAXNLWLGVEXDU-VIQWUECVSA-N 1 0 356.514 3.526 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C1 ZINC000444238173 946109574 /nfs/dbraw/zinc/10/95/74/946109574.db2.gz AEJCZFALRBMAFP-PXNSSMCTSA-N 1 0 366.509 3.747 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000522975104 946194752 /nfs/dbraw/zinc/19/47/52/946194752.db2.gz POWWUYHQYJXOOK-LJQANCHMSA-N 1 0 373.497 3.926 20 30 FHEDRO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 ZINC000520169456 946221404 /nfs/dbraw/zinc/22/14/04/946221404.db2.gz QKXGJZWSWHTTPJ-UHFFFAOYSA-N 1 0 357.457 3.850 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000042326842 946241003 /nfs/dbraw/zinc/24/10/03/946241003.db2.gz OMAQLKBKKWZHLP-GOSISDBHSA-N 1 0 365.477 3.771 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](c2ccccc2)C1)C(C)C ZINC000520201133 946275019 /nfs/dbraw/zinc/27/50/19/946275019.db2.gz AUWKIFRQEJGIGW-LEWJYISDSA-N 1 0 355.526 3.884 20 30 FHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C#N)c2ccccc2)CC1 ZINC000595415387 946280297 /nfs/dbraw/zinc/28/02/97/946280297.db2.gz PXZXPKJHPHOSCS-LAUBAEHRSA-N 1 0 366.484 3.883 20 30 FHEDRO C=CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000661570536 946286557 /nfs/dbraw/zinc/28/65/57/946286557.db2.gz GYKCZMUZEOZTRG-WBVHZDCISA-N 1 0 369.431 3.964 20 30 FHEDRO CN(CC#Cc1ccccc1Cl)Cc1cc(Br)cn1C ZINC000441182975 946302958 /nfs/dbraw/zinc/30/29/58/946302958.db2.gz ZQQQBDHBVUNZQQ-UHFFFAOYSA-N 1 0 351.675 3.925 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595601654 946318827 /nfs/dbraw/zinc/31/88/27/946318827.db2.gz PZUMIXXLQVZNOQ-PMACEKPBSA-N 1 0 368.525 3.622 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCSCC3)CCCCC1)CC2 ZINC000520294252 946373080 /nfs/dbraw/zinc/37/30/80/946373080.db2.gz ZEMXELWKCZTIHR-HXUWFJFHSA-N 1 0 355.551 3.887 20 30 FHEDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000520336203 946429442 /nfs/dbraw/zinc/42/94/42/946429442.db2.gz ZCGRVCPBBXQSQR-IBGZPJMESA-N 1 0 363.461 3.711 20 30 FHEDRO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Sc1ccccc1 ZINC000262514539 946441976 /nfs/dbraw/zinc/44/19/76/946441976.db2.gz FQTJOOLQBORTSY-AWEZNQCLSA-N 1 0 357.479 3.755 20 30 FHEDRO Cc1ccc(C(C)(C)C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000441337307 946443953 /nfs/dbraw/zinc/44/39/53/946443953.db2.gz ISJVFYDBBZQNTJ-FQEVSTJZSA-N 1 0 352.478 3.516 20 30 FHEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000441337990 946445732 /nfs/dbraw/zinc/44/57/32/946445732.db2.gz KMZAEEWUMBNIES-JJXUHFIVSA-N 1 0 354.425 3.520 20 30 FHEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000520347186 946454476 /nfs/dbraw/zinc/45/44/76/946454476.db2.gz PRRVVSVJEQOCNO-IBGZPJMESA-N 1 0 363.461 3.955 20 30 FHEDRO COc1cc(C[NH2+][C@@H](CCO)C(C)C)ccc1OCc1cccc(C#N)c1 ZINC000475137258 946457026 /nfs/dbraw/zinc/45/70/26/946457026.db2.gz JTYLHVGGIJPXFT-FQEVSTJZSA-N 1 0 368.477 3.642 20 30 FHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)NCc1cccc(C#N)c1 ZINC000441359237 946485244 /nfs/dbraw/zinc/48/52/44/946485244.db2.gz QULLRAGOXRFBFV-JOCHJYFZSA-N 1 0 363.505 3.826 20 30 FHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](COCc4ccccc4)C3)o2)c1 ZINC000441350603 946503820 /nfs/dbraw/zinc/50/38/20/946503820.db2.gz BVIQYWKLEFWQKW-LJQANCHMSA-N 1 0 374.444 3.647 20 30 FHEDRO COc1ccc(CCNC(=[NH2+])NCC(C)(C)c2ccc(Cl)cc2)cc1 ZINC000303391353 946567208 /nfs/dbraw/zinc/56/72/08/946567208.db2.gz YZLBNYXDOZGLLX-UHFFFAOYSA-N 1 0 359.901 3.773 20 30 FHEDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905365 946589695 /nfs/dbraw/zinc/58/96/95/946589695.db2.gz WMWHOVANOXAHKP-QGZVFWFLSA-N 1 0 365.477 3.532 20 30 FHEDRO C[C@@H]([NH2+]CC(C)(C)c1c(Cl)cccc1Cl)C(=O)N(C)CCC#N ZINC000112544019 946654710 /nfs/dbraw/zinc/65/47/10/946654710.db2.gz WNPSTQNUOQNHHY-GFCCVEGCSA-N 1 0 356.297 3.621 20 30 FHEDRO N#Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000186619806 946721086 /nfs/dbraw/zinc/72/10/86/946721086.db2.gz IJOXLRXLXROHLX-UHFFFAOYSA-N 1 0 350.422 3.585 20 30 FHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc(OCCO)c(OC)c2)cc1 ZINC000303877649 946722200 /nfs/dbraw/zinc/72/22/00/946722200.db2.gz FMDODDYTOSRTST-OAHLLOKOSA-N 1 0 371.481 3.507 20 30 FHEDRO C[C@@H]1C[NH+](Cc2cccc(Nc3ncc(C#N)cc3Cl)c2)C[C@@H](C)O1 ZINC000609964349 946736443 /nfs/dbraw/zinc/73/64/43/946736443.db2.gz GPJRACBBKIDHEY-ZIAGYGMSSA-N 1 0 356.857 3.959 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CCCC1 ZINC000661848122 946755832 /nfs/dbraw/zinc/75/58/32/946755832.db2.gz APBSFZLDWNOZFJ-UHFFFAOYSA-N 1 0 352.425 3.725 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000123187711 946779045 /nfs/dbraw/zinc/77/90/45/946779045.db2.gz STHABKHCSHLLJL-GFCCVEGCSA-N 1 0 354.281 3.987 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N(C)Cc2cc(Br)cs2)CCCC1 ZINC000661866655 946793384 /nfs/dbraw/zinc/79/33/84/946793384.db2.gz SLEYRIFYIRFGAJ-UHFFFAOYSA-N 1 0 371.344 3.948 20 30 FHEDRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)NC(C)(C)C ZINC000067502412 946804163 /nfs/dbraw/zinc/80/41/63/946804163.db2.gz XOPBOFALNRJZKC-INIZCTEOSA-N 1 0 365.477 3.530 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2nc(C)c(C)s2)c1 ZINC000305056978 946808206 /nfs/dbraw/zinc/80/82/06/946808206.db2.gz HHPWUCXXHOYGKC-UHFFFAOYSA-N 1 0 362.499 3.527 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCC2(CCOC)CCCC2)c1 ZINC000305091201 946814820 /nfs/dbraw/zinc/81/48/20/946814820.db2.gz PTAYMQNDVRQHFW-UHFFFAOYSA-N 1 0 363.502 3.808 20 30 FHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000475290744 946832216 /nfs/dbraw/zinc/83/22/16/946832216.db2.gz JGSYYEYRXVHRKZ-INIZCTEOSA-N 1 0 373.541 3.570 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824613633 946864913 /nfs/dbraw/zinc/86/49/13/946864913.db2.gz WEINXOCOJJHRAB-CQSZACIVSA-N 1 0 370.416 3.849 20 30 FHEDRO C=CCOc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475322954 946897536 /nfs/dbraw/zinc/89/75/36/946897536.db2.gz VCKRZEVAYNQCCL-LJQANCHMSA-N 1 0 350.462 3.598 20 30 FHEDRO C[C@]1(O)CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000475335426 946902657 /nfs/dbraw/zinc/90/26/57/946902657.db2.gz HGNSOADKFZFNDI-QFIPXVFZSA-N 1 0 350.462 3.874 20 30 FHEDRO CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000328646269 946963908 /nfs/dbraw/zinc/96/39/08/946963908.db2.gz GSZZAFJUADECES-GOSISDBHSA-N 1 0 352.482 3.533 20 30 FHEDRO Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)CCC2 ZINC000328663754 946972326 /nfs/dbraw/zinc/97/23/26/946972326.db2.gz YDINDTYBJXBXKO-RBUKOAKNSA-N 1 0 352.482 3.690 20 30 FHEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000475371989 946974490 /nfs/dbraw/zinc/97/44/90/946974490.db2.gz RCJFRKOHAZAYOR-HSZRJFAPSA-N 1 0 364.489 3.939 20 30 FHEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1coc(C2CCCCC2)n1 ZINC000328674629 946976391 /nfs/dbraw/zinc/97/63/91/946976391.db2.gz KAQAAVZQTHRNDQ-HNNXBMFYSA-N 1 0 361.486 3.528 20 30 FHEDRO Cc1cc([C@@H]2CCCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)[nH]n1 ZINC000328722008 946981325 /nfs/dbraw/zinc/98/13/25/946981325.db2.gz XFZQGWIOVLNYLV-QGZVFWFLSA-N 1 0 373.545 3.609 20 30 FHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000511918367 946985263 /nfs/dbraw/zinc/98/52/63/946985263.db2.gz DCJBTXMNVVZDIN-FQEVSTJZSA-N 1 0 356.514 3.600 20 30 FHEDRO Cn1ncc2c1C[C@H](C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)CC2 ZINC000328767549 947018410 /nfs/dbraw/zinc/01/84/10/947018410.db2.gz FQRQYZCONIWRBI-GCJKJVERSA-N 1 0 366.509 3.536 20 30 FHEDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cn2c(n1)CCCC2 ZINC000328727021 947024461 /nfs/dbraw/zinc/02/44/61/947024461.db2.gz UXASMQHHEHWOGX-UHFFFAOYSA-N 1 0 352.482 3.710 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000614808568 947026114 /nfs/dbraw/zinc/02/61/14/947026114.db2.gz NKOWBRJODSXFJT-BZUAXINKSA-N 1 0 364.449 3.945 20 30 FHEDRO C=CC[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000444609947 947034738 /nfs/dbraw/zinc/03/47/38/947034738.db2.gz NSJXZBXODGRPIL-KRWDZBQOSA-N 1 0 352.486 3.931 20 30 FHEDRO O=C(CN1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)NC1CC1 ZINC000328821609 947038476 /nfs/dbraw/zinc/03/84/76/947038476.db2.gz RERHOFZAKBTAET-OAHLLOKOSA-N 1 0 360.502 3.881 20 30 FHEDRO O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CCCC(=O)N1 ZINC000328821320 947038707 /nfs/dbraw/zinc/03/87/07/947038707.db2.gz RDBTWEWTDACCKQ-GOEBONIOSA-N 1 0 367.852 3.909 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000328824248 947040856 /nfs/dbraw/zinc/04/08/56/947040856.db2.gz RLXZRXJQAKVKKN-CQSZACIVSA-N 1 0 351.516 3.525 20 30 FHEDRO CC[N@H+](CCC(=O)OC)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444616018 947041285 /nfs/dbraw/zinc/04/12/85/947041285.db2.gz AZABITDJLQBBBT-UHFFFAOYSA-N 1 0 350.462 3.771 20 30 FHEDRO CC(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c2ccccc21 ZINC000328798812 947050047 /nfs/dbraw/zinc/05/00/47/947050047.db2.gz GOVZVGUYERWZIK-AZUAARDMSA-N 1 0 355.482 3.848 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc([C@@H]3CCCOC3)nc2C)CC1 ZINC000328798406 947050575 /nfs/dbraw/zinc/05/05/75/947050575.db2.gz GBFXGPGYMPGPRB-OAHLLOKOSA-N 1 0 363.527 3.691 20 30 FHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328846527 947063432 /nfs/dbraw/zinc/06/34/32/947063432.db2.gz QLXLTVPNRZBTQO-UKRRQHHQSA-N 1 0 373.522 3.833 20 30 FHEDRO CC(=O)N1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000328863798 947071758 /nfs/dbraw/zinc/07/17/58/947071758.db2.gz MPWNRIBSHWJMQF-NRFANRHFSA-N 1 0 371.525 3.920 20 30 FHEDRO CNC(=O)C[N@H+](CCCCC(C)(C)C#N)Cc1cccc(C(F)(F)F)c1 ZINC000444659200 947078602 /nfs/dbraw/zinc/07/86/02/947078602.db2.gz CNNIVYIXZFUDOP-UHFFFAOYSA-N 1 0 369.431 3.973 20 30 FHEDRO C[C@@H]1CN(c2ccccc2NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H](C)O1 ZINC000328880841 947079973 /nfs/dbraw/zinc/07/99/73/947079973.db2.gz WFKFJGYFFCKZSF-HUUCEWRRSA-N 1 0 350.422 3.584 20 30 FHEDRO O=C(COc1ccsc1Cl)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000328900088 947087351 /nfs/dbraw/zinc/08/73/51/947087351.db2.gz XZFUVZCYDXLJPR-KGLIPLIRSA-N 1 0 372.918 3.505 20 30 FHEDRO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)c1 ZINC000328941299 947094880 /nfs/dbraw/zinc/09/48/80/947094880.db2.gz FGVKMVHYWOANGQ-DIJFTKHXSA-N 1 0 360.498 3.532 20 30 FHEDRO C[C@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)CCC1=O ZINC000328905506 947102664 /nfs/dbraw/zinc/10/26/64/947102664.db2.gz KCIPAOMOMVOWNX-UONOGXRCSA-N 1 0 363.889 3.685 20 30 FHEDRO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(OCc2ccccc2)c1 ZINC000444705575 947132182 /nfs/dbraw/zinc/13/21/82/947132182.db2.gz NIJMRJCNPHGKMI-SFHVURJKSA-N 1 0 365.477 3.678 20 30 FHEDRO C=CCn1c(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC000508505794 947146534 /nfs/dbraw/zinc/14/65/34/947146534.db2.gz OEFLTXUJXWUOSD-IBGZPJMESA-N 1 0 367.541 3.720 20 30 FHEDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093770635 947212591 /nfs/dbraw/zinc/21/25/91/947212591.db2.gz GMYZNEKBYRPIFV-FQEVSTJZSA-N 1 0 363.505 3.911 20 30 FHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000093771015 947212655 /nfs/dbraw/zinc/21/26/55/947212655.db2.gz ZXXNBEQYLSEQEM-INIZCTEOSA-N 1 0 356.432 3.958 20 30 FHEDRO C=CC[C@H]1[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCCC1(C)C ZINC000444778114 947214158 /nfs/dbraw/zinc/21/41/58/947214158.db2.gz HNGCGNIIUZXJEC-PZJWPPBQSA-N 1 0 369.553 3.696 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(Br)cc1F ZINC000662085689 947222351 /nfs/dbraw/zinc/22/23/51/947222351.db2.gz IXAWZFJLTCDPBJ-BETUJISGSA-N 1 0 353.235 3.710 20 30 FHEDRO CC(C)C[NH+]1CCC(NC(=O)NCc2nc(C(C)(C)C)cs2)CC1 ZINC000330620650 947229261 /nfs/dbraw/zinc/22/92/61/947229261.db2.gz KQLUPRBOIARAJC-UHFFFAOYSA-N 1 0 352.548 3.565 20 30 FHEDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000330671657 947249376 /nfs/dbraw/zinc/24/93/76/947249376.db2.gz FMFAKIJMUYNCMQ-UHFFFAOYSA-N 1 0 374.407 3.612 20 30 FHEDRO C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000330780883 947271929 /nfs/dbraw/zinc/27/19/29/947271929.db2.gz FFXMREYQXAJVIX-AWEZNQCLSA-N 1 0 361.534 3.912 20 30 FHEDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC1 ZINC000330822395 947280458 /nfs/dbraw/zinc/28/04/58/947280458.db2.gz UGIZCTYRMKKNGN-UHFFFAOYSA-N 1 0 360.502 3.553 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000330901275 947307586 /nfs/dbraw/zinc/30/75/86/947307586.db2.gz AYJPPKDKAHKIMH-AWEZNQCLSA-N 1 0 363.477 3.989 20 30 FHEDRO CC[NH+](CC)CC1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000330914469 947308722 /nfs/dbraw/zinc/30/87/22/947308722.db2.gz JCMSQCIAUQAWIW-UHFFFAOYSA-N 1 0 362.474 3.811 20 30 FHEDRO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000248734931 947310217 /nfs/dbraw/zinc/31/02/17/947310217.db2.gz KNPXCHQSJYJIBL-CSODHUTKSA-N 1 0 363.461 3.643 20 30 FHEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CCOCC1 ZINC000599350530 947320515 /nfs/dbraw/zinc/32/05/15/947320515.db2.gz RQQHEBWXOIMGBT-WOJBJXKFSA-N 1 0 360.473 3.718 20 30 FHEDRO Cc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1C(=O)N(C)C(C)C ZINC000331152743 947358213 /nfs/dbraw/zinc/35/82/13/947358213.db2.gz OTLHZUKVBPNUAV-KRWDZBQOSA-N 1 0 374.529 3.676 20 30 FHEDRO COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1OC ZINC000440610395 947358245 /nfs/dbraw/zinc/35/82/45/947358245.db2.gz DCXVHTFYVBUVEQ-HNNXBMFYSA-N 1 0 354.450 3.552 20 30 FHEDRO CC[NH+]1CCN(c2ccc(NCc3ccc(C#N)c(OC)c3)c(C)c2)CC1 ZINC000440610432 947358353 /nfs/dbraw/zinc/35/83/53/947358353.db2.gz DPHFATODSDBBBX-UHFFFAOYSA-N 1 0 364.493 3.629 20 30 FHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662146958 947369299 /nfs/dbraw/zinc/36/92/99/947369299.db2.gz YFWXVPOTSPHNLO-UHFFFAOYSA-N 1 0 355.526 3.896 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000126780511 947399955 /nfs/dbraw/zinc/39/99/55/947399955.db2.gz MROPUVVDTXNABA-YOEHRIQHSA-N 1 0 365.880 3.675 20 30 FHEDRO C=CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000523607622 947414600 /nfs/dbraw/zinc/41/46/00/947414600.db2.gz MSWXNIPCXRKJBO-CQSZACIVSA-N 1 0 374.706 3.740 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000523614572 947420793 /nfs/dbraw/zinc/42/07/93/947420793.db2.gz FXCNAOVUDCPJEK-UHFFFAOYSA-N 1 0 369.465 3.514 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000441441293 947421085 /nfs/dbraw/zinc/42/10/85/947421085.db2.gz BGQMOXVESHTQRM-RTWAWAEBSA-N 1 0 359.510 3.578 20 30 FHEDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(C#N)c(OC)c1)OC(C)C ZINC000440631429 947430921 /nfs/dbraw/zinc/43/09/21/947430921.db2.gz AAFSWFMICGFVAO-OAQYLSRUSA-N 1 0 354.450 3.831 20 30 FHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2cccc(CC#N)c2)[NH+](C)C)cc1 ZINC000520450134 947450049 /nfs/dbraw/zinc/45/00/49/947450049.db2.gz CEXSNFDHYJLFSB-JOCHJYFZSA-N 1 0 363.505 3.984 20 30 FHEDRO C=C[C@@](C)(CC)C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000188256678 947490191 /nfs/dbraw/zinc/49/01/91/947490191.db2.gz CTTZOROVSJJMQB-QFIPXVFZSA-N 1 0 373.541 3.732 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1 ZINC000441452913 947492603 /nfs/dbraw/zinc/49/26/03/947492603.db2.gz AADXYLDZRPRBPJ-LVCYWYKZSA-N 1 0 369.509 3.985 20 30 FHEDRO CC[NH+](CC)[C@@H](C(=O)NCCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000523679678 947508279 /nfs/dbraw/zinc/50/82/79/947508279.db2.gz IMFNPGAXZHIRSK-MRXNPFEDSA-N 1 0 355.404 3.898 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000280805704 947559894 /nfs/dbraw/zinc/55/98/94/947559894.db2.gz LIYSUDPEYIFLPF-DEYYWGMASA-N 1 0 370.415 3.993 20 30 FHEDRO C=CC[C@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000188997874 947578352 /nfs/dbraw/zinc/57/83/52/947578352.db2.gz WMPXPSUVCZMOBI-KNKQGSTJSA-N 1 0 370.537 3.694 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1F ZINC000121537137 947584874 /nfs/dbraw/zinc/58/48/74/947584874.db2.gz DJZXSJFBDKEXTI-LLVKDONJSA-N 1 0 361.442 3.674 20 30 FHEDRO C=CCC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000189423899 947715868 /nfs/dbraw/zinc/71/58/68/947715868.db2.gz GFJSSYZIKIVMBG-OAQYLSRUSA-N 1 0 370.537 3.888 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189606778 947782291 /nfs/dbraw/zinc/78/22/91/947782291.db2.gz WLOCUHVEUSEXIT-AEFFLSMTSA-N 1 0 370.415 3.942 20 30 FHEDRO C#Cc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cn1 ZINC000728861221 947798180 /nfs/dbraw/zinc/79/81/80/947798180.db2.gz IQORLYTZQCDGPB-UHFFFAOYSA-N 1 0 361.489 3.757 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662449806 947819619 /nfs/dbraw/zinc/81/96/19/947819619.db2.gz VHDLVVLTERIUTO-UHFFFAOYSA-N 1 0 352.912 3.937 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)CCC[NH2+]1 ZINC000662485018 947854898 /nfs/dbraw/zinc/85/48/98/947854898.db2.gz OVZRQTJJYZKOLY-AOMKIAJQSA-N 1 0 372.509 3.892 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)CCC[NH2+]1 ZINC000662493862 947868148 /nfs/dbraw/zinc/86/81/48/947868148.db2.gz JZZJGBBYAPXGJV-VBKZILBWSA-N 1 0 355.507 3.994 20 30 FHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000066954411 947887223 /nfs/dbraw/zinc/88/72/23/947887223.db2.gz FVEUVAUOOUETJF-JKSUJKDBSA-N 1 0 360.527 3.933 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000662529822 947896970 /nfs/dbraw/zinc/89/69/70/947896970.db2.gz HMYFQSRNEUZZGL-SUMWQHHRSA-N 1 0 356.388 3.503 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CCC[NH2+]1 ZINC000662664476 947966946 /nfs/dbraw/zinc/96/69/46/947966946.db2.gz YCKNDEOSZZIRGQ-YWZLYKJASA-N 1 0 355.507 3.701 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)CCC[NH2+]1 ZINC000662683796 947979456 /nfs/dbraw/zinc/97/94/56/947979456.db2.gz QPBUMIIGUOJBTA-HTAPYJJXSA-N 1 0 365.477 3.536 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)CCC[NH2+]1 ZINC000662683009 947981540 /nfs/dbraw/zinc/98/15/40/947981540.db2.gz LJURROSYOPVIAD-VGSWGCGISA-N 1 0 365.477 3.536 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)CCC[NH2+]1 ZINC000662683006 947982173 /nfs/dbraw/zinc/98/21/73/947982173.db2.gz LJURROSYOPVIAD-VGOFRKELSA-N 1 0 365.477 3.536 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CCC[NH2+]1 ZINC000662683001 947982216 /nfs/dbraw/zinc/98/22/16/947982216.db2.gz LJURROSYOPVIAD-HTAPYJJXSA-N 1 0 365.477 3.536 20 30 FHEDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000278888710 948000536 /nfs/dbraw/zinc/00/05/36/948000536.db2.gz ONWWZTUFKJJNGP-OXJNMPFZSA-N 1 0 365.452 3.822 20 30 FHEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1sc(C)nc1C ZINC000314964357 948062261 /nfs/dbraw/zinc/06/22/61/948062261.db2.gz RTYJMUBJVBQXJT-UHFFFAOYSA-N 1 0 365.296 3.824 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000432326727 948071770 /nfs/dbraw/zinc/07/17/70/948071770.db2.gz DBUOSRSLJXCRFY-AWEZNQCLSA-N 1 0 368.868 3.562 20 30 FHEDRO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000180977631 948148644 /nfs/dbraw/zinc/14/86/44/948148644.db2.gz DQOAKZGYWWWJAY-ROUUACIJSA-N 1 0 371.525 3.718 20 30 FHEDRO C=C(C)C[NH+]1CCC(NCc2ccc(OC)cc2Br)CC1 ZINC000512015552 948194732 /nfs/dbraw/zinc/19/47/32/948194732.db2.gz PQHPPJMNHVOQRI-UHFFFAOYSA-N 1 0 353.304 3.588 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000441534338 948232149 /nfs/dbraw/zinc/23/21/49/948232149.db2.gz PLBOVTPKMPFEBJ-UHFFFAOYSA-N 1 0 370.541 3.846 20 30 FHEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000512031514 948239636 /nfs/dbraw/zinc/23/96/36/948239636.db2.gz PTGQMKKVKQQCIV-UHFFFAOYSA-N 1 0 354.406 3.692 20 30 FHEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H](C)COC ZINC000663581290 948247088 /nfs/dbraw/zinc/24/70/88/948247088.db2.gz JMBSFFHSQQMYBT-RTBURBONSA-N 1 0 373.541 3.794 20 30 FHEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(I)c1 ZINC000585742960 948254527 /nfs/dbraw/zinc/25/45/27/948254527.db2.gz JSBFGKMALGOVQU-KRWDZBQOSA-N 1 0 374.225 3.940 20 30 FHEDRO C[NH+](C)CCCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000665110484 948262695 /nfs/dbraw/zinc/26/26/95/948262695.db2.gz GLDCJKWAWOBOHT-UHFFFAOYSA-N 1 0 374.300 3.658 20 30 FHEDRO Cc1cccc(C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C2CC2)c1 ZINC000585794442 948300357 /nfs/dbraw/zinc/30/03/57/948300357.db2.gz WAZPKICGZBVWOZ-QFIPXVFZSA-N 1 0 360.505 3.841 20 30 FHEDRO COc1ccc([C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C(C)C)cc1 ZINC000585794440 948300887 /nfs/dbraw/zinc/30/08/87/948300887.db2.gz WAXWOYMFGJRODP-QFIPXVFZSA-N 1 0 364.493 3.918 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cscc1C#N ZINC000432396829 948326720 /nfs/dbraw/zinc/32/67/20/948326720.db2.gz FMINRIUOZGEGFT-HNNXBMFYSA-N 1 0 353.491 3.924 20 30 FHEDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001143586729 948405080 /nfs/dbraw/zinc/40/50/80/948405080.db2.gz UMVATBNXTRCPMF-QFIPXVFZSA-N 1 0 363.436 3.635 20 30 FHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000279061342 948449638 /nfs/dbraw/zinc/44/96/38/948449638.db2.gz NGPNSODXTCGMND-UHFFFAOYSA-N 1 0 359.473 3.829 20 30 FHEDRO CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1c(C)noc1C ZINC000182080240 948540917 /nfs/dbraw/zinc/54/09/17/948540917.db2.gz DNPBXMCIVZGEBD-FQEVSTJZSA-N 1 0 352.482 3.868 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000520696070 948598726 /nfs/dbraw/zinc/59/87/26/948598726.db2.gz UTCUHIYMYLYNHH-UHFFFAOYSA-N 1 0 357.376 3.747 20 30 FHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000512169420 948622237 /nfs/dbraw/zinc/62/22/37/948622237.db2.gz OMAQSKZAYLTNJH-UHFFFAOYSA-N 1 0 369.417 3.883 20 30 FHEDRO C=CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512173181 948647580 /nfs/dbraw/zinc/64/75/80/948647580.db2.gz UHGKASAOARXZLI-FQEVSTJZSA-N 1 0 355.526 3.895 20 30 FHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(-n2ccnc2)cc1C ZINC000512179928 948681698 /nfs/dbraw/zinc/68/16/98/948681698.db2.gz NEWZIAZZFIOZLV-UHFFFAOYSA-N 1 0 351.450 3.844 20 30 FHEDRO C=CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)[NH2+]C2(C)C ZINC000523956140 948733141 /nfs/dbraw/zinc/73/31/41/948733141.db2.gz AHERBCNRINIUKG-UHFFFAOYSA-N 1 0 364.511 3.989 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)CCC1 ZINC000188532380 567878099 /nfs/dbraw/zinc/87/80/99/567878099.db2.gz JAJQMIQDHRMSCL-UHFFFAOYSA-N 1 0 357.498 3.522 20 30 FHEDRO N#Cc1ccc(CNCc2nc(-c3ccccc3)no2)c(C(F)(F)F)c1 ZINC000568148633 567946825 /nfs/dbraw/zinc/94/68/25/567946825.db2.gz FMZDVQXQCDCTMW-UHFFFAOYSA-N 1 0 358.323 3.917 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000186688850 567969671 /nfs/dbraw/zinc/96/96/71/567969671.db2.gz PDJUSKCAYXZXIO-UHFFFAOYSA-N 1 0 364.449 3.593 20 30 FHEDRO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@@H](C)CCC#N ZINC000602434721 567979900 /nfs/dbraw/zinc/97/99/00/567979900.db2.gz OQAWNEANOQMYSL-LBPRGKRZSA-N 1 0 352.276 3.568 20 30 FHEDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)N1CCCC1 ZINC000602498381 567983612 /nfs/dbraw/zinc/98/36/12/567983612.db2.gz JOWDPIKCPFEHRC-ICSRJNTNSA-N 1 0 371.525 3.521 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)CC3(C#N)CCOCC3)c2)CC1 ZINC000602494459 567986467 /nfs/dbraw/zinc/98/64/67/567986467.db2.gz YVWWKUFHWMBOQW-IBGZPJMESA-N 1 0 370.541 3.728 20 30 FHEDRO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)CC3(C#N)CCOCC3)cc2)n1 ZINC000602516347 567986603 /nfs/dbraw/zinc/98/66/03/567986603.db2.gz ZLGPQVAEGOGNSW-SFHVURJKSA-N 1 0 366.509 3.720 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000602524146 567987577 /nfs/dbraw/zinc/98/75/77/567987577.db2.gz CDGUTNZZOSAVAY-QGZVFWFLSA-N 1 0 360.473 3.562 20 30 FHEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000481486526 567989286 /nfs/dbraw/zinc/98/92/86/567989286.db2.gz QBAFBFDCHGROHB-JLTOFOAXSA-N 1 0 371.868 3.906 20 30 FHEDRO COc1cc(Br)c(C[NH2+]C2CCC(C#N)CC2)cc1OC ZINC000602544420 567989984 /nfs/dbraw/zinc/98/99/84/567989984.db2.gz RDAOVEKGGCWNLX-UHFFFAOYSA-N 1 0 353.260 3.638 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccc(Br)cc1 ZINC000602544618 567990058 /nfs/dbraw/zinc/99/00/58/567990058.db2.gz NAPCUPYOGWTODP-AWEZNQCLSA-N 1 0 367.287 3.516 20 30 FHEDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602539301 567992734 /nfs/dbraw/zinc/99/27/34/567992734.db2.gz IVXFIJATKFDQCI-MRXNPFEDSA-N 1 0 360.498 3.670 20 30 FHEDRO CCOc1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1OC(F)F ZINC000602567158 567995673 /nfs/dbraw/zinc/99/56/73/567995673.db2.gz INLJUTYCZUVMSS-CQSZACIVSA-N 1 0 368.424 3.875 20 30 FHEDRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602575960 567996694 /nfs/dbraw/zinc/99/66/94/567996694.db2.gz KJQNBDKAMPBMEN-GOSISDBHSA-N 1 0 360.498 3.599 20 30 FHEDRO COc1cc(Br)ccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602620938 567998548 /nfs/dbraw/zinc/99/85/48/567998548.db2.gz AWGRLFYQSUBXAS-CYBMUJFWSA-N 1 0 367.287 3.646 20 30 FHEDRO CN(Cc1ccccc1OCc1ccccc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602599906 568000415 /nfs/dbraw/zinc/00/04/15/568000415.db2.gz TWTKGAHICIIMOA-FQEVSTJZSA-N 1 0 365.477 3.635 20 30 FHEDRO COc1ccc(CC[NH2+][C@@H](C)CC2(C#N)CCOCC2)c(Cl)c1OC ZINC000602675047 568008750 /nfs/dbraw/zinc/00/87/50/568008750.db2.gz JDCFVMZOTJSPRP-AWEZNQCLSA-N 1 0 366.889 3.588 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000602677319 568009148 /nfs/dbraw/zinc/00/91/48/568009148.db2.gz XKONFLPOUJSKRD-LJQANCHMSA-N 1 0 355.526 3.730 20 30 FHEDRO COC(=O)C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cccc(Br)c1 ZINC000602665267 568013327 /nfs/dbraw/zinc/01/33/27/568013327.db2.gz GKZLDIASNHSNFW-VDSRIPIWSA-N 1 0 365.271 3.725 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000584662982 568024206 /nfs/dbraw/zinc/02/42/06/568024206.db2.gz QLAKOEIPICRTNJ-JOCHJYFZSA-N 1 0 361.489 3.522 20 30 FHEDRO CN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602806172 568048620 /nfs/dbraw/zinc/04/86/20/568048620.db2.gz MFESXGXRMXQBHO-ICSRJNTNSA-N 1 0 354.498 3.871 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCSc4ccccc43)C2=O)cc1 ZINC000541882030 568060930 /nfs/dbraw/zinc/06/09/30/568060930.db2.gz GXUPPGFZNKMNRW-RBUKOAKNSA-N 1 0 363.486 3.880 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C(C)(C)COC)cc1OC ZINC000066996147 568072850 /nfs/dbraw/zinc/07/28/50/568072850.db2.gz XHEVABJOGJNBNB-UHFFFAOYSA-N 1 0 358.276 3.537 20 30 FHEDRO CC[C@@H](CN(CC)CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000481749131 568108253 /nfs/dbraw/zinc/10/82/53/568108253.db2.gz WTMOSTFPVXQAIQ-IBGZPJMESA-N 1 0 370.518 3.848 20 30 FHEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 ZINC000481835351 568145492 /nfs/dbraw/zinc/14/54/92/568145492.db2.gz DHDPVOFDIVOVKL-SFHVURJKSA-N 1 0 361.489 3.665 20 30 FHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000568754163 568180243 /nfs/dbraw/zinc/18/02/43/568180243.db2.gz DUECMXJUQUDLQG-TZIWHRDSSA-N 1 0 368.502 3.505 20 30 FHEDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481913856 568182076 /nfs/dbraw/zinc/18/20/76/568182076.db2.gz HXTQVFOHAVLYQY-UGKGYDQZSA-N 1 0 350.462 3.664 20 30 FHEDRO C=CCC[C@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000636953511 568222016 /nfs/dbraw/zinc/22/20/16/568222016.db2.gz MXYMQGZZMOUVFP-FQEVSTJZSA-N 1 0 367.497 3.979 20 30 FHEDRO Cc1ccc(Br)cc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000190296334 568252824 /nfs/dbraw/zinc/25/28/24/568252824.db2.gz FNLQCNBJUDCWAF-UHFFFAOYSA-N 1 0 355.239 3.567 20 30 FHEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]2C ZINC000541948042 568271920 /nfs/dbraw/zinc/27/19/20/568271920.db2.gz DUGDLLKOEBUFOF-CVEARBPZSA-N 1 0 363.461 3.903 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000604414493 568279307 /nfs/dbraw/zinc/27/93/07/568279307.db2.gz USQJWQWAPCGJAC-SIKLNZKXSA-N 1 0 363.505 3.853 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000604468280 568297533 /nfs/dbraw/zinc/29/75/33/568297533.db2.gz BLVQYMIPZAKTPZ-ZOJOIENFSA-N 1 0 368.521 3.687 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569173770 568299526 /nfs/dbraw/zinc/29/95/26/568299526.db2.gz DIFJUDWHBBTOJN-UYAOXDASSA-N 1 0 373.859 3.894 20 30 FHEDRO COc1ccc(Br)cc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000569158799 568300287 /nfs/dbraw/zinc/30/02/87/568300287.db2.gz TVFPWSWGMTVKNA-UHFFFAOYSA-N 1 0 361.239 3.628 20 30 FHEDRO CC(C)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604500733 568301709 /nfs/dbraw/zinc/30/17/09/568301709.db2.gz NKOWNXXUNLMSSM-NRFANRHFSA-N 1 0 352.478 3.651 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000569516101 568404615 /nfs/dbraw/zinc/40/46/15/568404615.db2.gz BPVOLRFAIFGJPA-XJKSGUPXSA-N 1 0 353.491 3.780 20 30 FHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1c[nH]nc1-c1ccccc1F ZINC000569532185 568405945 /nfs/dbraw/zinc/40/59/45/568405945.db2.gz RPTGTUTWYZBTKL-UHFFFAOYSA-N 1 0 364.424 3.736 20 30 FHEDRO C[C@@]1(NC(=O)c2cc(C#N)ccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000569609708 568409800 /nfs/dbraw/zinc/40/98/00/568409800.db2.gz YKHIPRVJCAYUCJ-HXUWFJFHSA-N 1 0 353.853 3.606 20 30 FHEDRO N#Cc1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc2ccccc12 ZINC000569851200 568426383 /nfs/dbraw/zinc/42/63/83/568426383.db2.gz PIMLYHZUOHTIDU-UHFFFAOYSA-N 1 0 360.436 3.958 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC(=O)N(c3ccc(Cl)c(F)c3)C1)CC2 ZINC000569974629 568445429 /nfs/dbraw/zinc/44/54/29/568445429.db2.gz VBVMTVPXKQQAGE-LIRRHRJNSA-N 1 0 369.827 3.733 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)ccc1C#N ZINC000570131855 568453087 /nfs/dbraw/zinc/45/30/87/568453087.db2.gz UJOPGHHUBPOMBF-UHFFFAOYSA-N 1 0 359.429 3.831 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)cc1 ZINC000570179000 568459543 /nfs/dbraw/zinc/45/95/43/568459543.db2.gz GLISUMXONKPSCR-NRFANRHFSA-N 1 0 364.489 3.790 20 30 FHEDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)n2c3ccccc3nc2c1C#N ZINC000570232621 568463911 /nfs/dbraw/zinc/46/39/11/568463911.db2.gz BIDYKPVQMIBLOJ-APWZRJJASA-N 1 0 359.477 3.731 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1CCOc2ccccc21)C(C)C ZINC000605128118 568580225 /nfs/dbraw/zinc/58/02/25/568580225.db2.gz XJURCHPFUDDINP-UYAOXDASSA-N 1 0 356.510 3.758 20 30 FHEDRO C=CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605168058 568595982 /nfs/dbraw/zinc/59/59/82/568595982.db2.gz SFZSQGWDHQWGPW-GOEBONIOSA-N 1 0 355.404 3.574 20 30 FHEDRO C=CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605168060 568596024 /nfs/dbraw/zinc/59/60/24/568596024.db2.gz SFZSQGWDHQWGPW-ZBFHGGJFSA-N 1 0 355.404 3.574 20 30 FHEDRO N#Cc1c(F)ccc(C[NH2+]C[C@@H]2CCCN(Cc3cccnc3)C2)c1Cl ZINC000365402407 568620833 /nfs/dbraw/zinc/62/08/33/568620833.db2.gz BLYFUYNNUICFLV-INIZCTEOSA-N 1 0 372.875 3.748 20 30 FHEDRO CN(C(=O)NCCCCC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365416311 568644462 /nfs/dbraw/zinc/64/44/62/568644462.db2.gz HTHOSNMVGNCIJO-YOFSQIOKSA-N 1 0 354.498 3.517 20 30 FHEDRO Cc1nnc(CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)s1 ZINC000328604425 571323896 /nfs/dbraw/zinc/32/38/96/571323896.db2.gz JRTCBHMRIJNJEA-VQIMIIECSA-N 1 0 356.495 3.605 20 30 FHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CC[C@@H]43)cnc2Cl)cc1 ZINC001164410840 718877677 /nfs/dbraw/zinc/87/76/77/718877677.db2.gz IDRFBSJLJJDIIN-IRXDYDNUSA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1cc(F)c(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623836 719054281 /nfs/dbraw/zinc/05/42/81/719054281.db2.gz NDYMKTUOJZZDFI-MAUKXSAKSA-N 1 0 370.859 3.847 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC001164630166 719097079 /nfs/dbraw/zinc/09/70/79/719097079.db2.gz VSOUFTUUTPWOSC-UGKGYDQZSA-N 1 0 358.489 3.543 20 30 FHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc(C)c2C#N)CC3)cs1 ZINC001164691174 719804948 /nfs/dbraw/zinc/80/49/48/719804948.db2.gz FAJGWBGJMNKJNI-UHFFFAOYSA-N 1 0 367.522 3.662 20 30 FHEDRO N#Cc1ccc(C(F)(F)N2CCCC[C@H]2CC[NH+]2CCCC2)nc1Cl ZINC001165047521 721965685 /nfs/dbraw/zinc/96/56/85/721965685.db2.gz UTRIRXOFULQBLU-HNNXBMFYSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046583 721975035 /nfs/dbraw/zinc/97/50/35/721975035.db2.gz AJFBACXZBDLTBU-HXUWFJFHSA-N 1 0 361.493 3.860 20 30 FHEDRO CC(C)(C)OC(=O)C1(Nc2ccc3c(ccnc3C#N)c2)CCC([NH3+])CC1 ZINC001167643352 936331933 /nfs/dbraw/zinc/33/19/33/936331933.db2.gz ACSGVICVSWMYRC-UHFFFAOYSA-N 1 0 366.465 3.500 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2sccc2C#N)cc1 ZINC000052035260 936342112 /nfs/dbraw/zinc/34/21/12/936342112.db2.gz GYYNJAZTIKYBJA-HNNXBMFYSA-N 1 0 353.491 3.924 20 30 FHEDRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000047956437 927098223 /nfs/dbraw/zinc/09/82/23/927098223.db2.gz WOWDTXJQRQMLAF-QAPCUYQASA-N 1 0 368.506 3.817 20 30 FHEDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1OCCCC#N ZINC000579726058 927206676 /nfs/dbraw/zinc/20/66/76/927206676.db2.gz WJQQPNLFDFFTJB-IEBWSBKVSA-N 1 0 360.498 3.893 20 30 FHEDRO C=CCn1c(SCC[N@H+]2C[C@H](C)C[C@H](C)C2)nnc1-c1ccncc1 ZINC000579733836 927239580 /nfs/dbraw/zinc/23/95/80/927239580.db2.gz QXKLUKAYEFZKII-IYBDPMFKSA-N 1 0 357.527 3.596 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091885710 937152204 /nfs/dbraw/zinc/15/22/04/937152204.db2.gz PQFPBIJUWDYULO-QGZVFWFLSA-N 1 0 362.489 3.620 20 30 FHEDRO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(OC(F)F)cc1C ZINC000430161012 927458964 /nfs/dbraw/zinc/45/89/64/927458964.db2.gz BPEASGTWKPHZRD-QGZVFWFLSA-N 1 0 373.403 3.825 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(CC#N)c1)c1cccc(OC)c1 ZINC000049619295 927549078 /nfs/dbraw/zinc/54/90/78/927549078.db2.gz GOGLEPODTPZHNN-OAQYLSRUSA-N 1 0 365.477 3.574 20 30 FHEDRO CCCCOc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179061 927585516 /nfs/dbraw/zinc/58/55/16/927585516.db2.gz NIOXIODESKEICU-LJQANCHMSA-N 1 0 351.450 3.785 20 30 FHEDRO C=CCc1cc(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc(OC)c1OC ZINC000471142791 927847596 /nfs/dbraw/zinc/84/75/96/927847596.db2.gz PXCBHWSXDDNTKF-UHFFFAOYSA-N 1 0 372.509 3.523 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000064800940 927905907 /nfs/dbraw/zinc/90/59/07/927905907.db2.gz CJEYWTILIRXUDF-CALCHBBNSA-N 1 0 373.566 3.664 20 30 FHEDRO CSc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000162626773 937209255 /nfs/dbraw/zinc/20/92/55/937209255.db2.gz PBBSKFYHQCAERN-UHFFFAOYSA-N 1 0 368.506 3.876 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc2c(c1)CCCC2 ZINC000023677240 928037918 /nfs/dbraw/zinc/03/79/18/928037918.db2.gz LQJBRPIJZILGPF-VGOFRKELSA-N 1 0 364.489 3.722 20 30 FHEDRO Cc1cc(C)cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043274819 928070200 /nfs/dbraw/zinc/07/02/00/928070200.db2.gz IZNDQQVIZHEFIZ-UHFFFAOYSA-N 1 0 362.477 3.915 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000610216102 928170945 /nfs/dbraw/zinc/17/09/45/928170945.db2.gz LNOSCDVJGHDAHK-GGPKGHCWSA-N 1 0 353.510 3.843 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000610216104 928171562 /nfs/dbraw/zinc/17/15/62/928171562.db2.gz LNOSCDVJGHDAHK-QWFCFKBJSA-N 1 0 353.510 3.843 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)/C=C\c2ccccc2C#N)CC1 ZINC000254954443 928485763 /nfs/dbraw/zinc/48/57/63/928485763.db2.gz GXWPVLZDFMIUIS-JYBLJSLWSA-N 1 0 359.473 3.913 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCC3CCCCC3)CC2)cc1 ZINC000023451010 928646143 /nfs/dbraw/zinc/64/61/43/928646143.db2.gz QOBGEHFXKSISGV-UHFFFAOYSA-N 1 0 353.510 3.953 20 30 FHEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179503215 928783103 /nfs/dbraw/zinc/78/31/03/928783103.db2.gz AZQILUJCBTYYMH-INIZCTEOSA-N 1 0 374.410 3.932 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274818163 928798449 /nfs/dbraw/zinc/79/84/49/928798449.db2.gz AQILBGIALCFHMW-UHFFFAOYSA-N 1 0 363.509 3.795 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000533443345 928894351 /nfs/dbraw/zinc/89/43/51/928894351.db2.gz SRPKOAIBBAOLET-UHFFFAOYSA-N 1 0 363.892 3.771 20 30 FHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](CCc3ccc(C#N)cc3)CC2)C1 ZINC001208920994 929007504 /nfs/dbraw/zinc/00/75/04/929007504.db2.gz VUKGZSHKHWLMRS-UHFFFAOYSA-N 1 0 367.493 3.601 20 30 FHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(CCC#N)CC1 ZINC000583319011 937343554 /nfs/dbraw/zinc/34/35/54/937343554.db2.gz UGHVLRZBNCUEBX-NRFANRHFSA-N 1 0 370.541 3.868 20 30 FHEDRO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000579970031 929688253 /nfs/dbraw/zinc/68/82/53/929688253.db2.gz XKZZKVJEYPIPNF-OALUTQOASA-N 1 0 362.477 3.515 20 30 FHEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000023678087 929693109 /nfs/dbraw/zinc/69/31/09/929693109.db2.gz XUXYCSDHYTWZEH-TZIWHRDSSA-N 1 0 356.441 3.618 20 30 FHEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cn2)cc1OC ZINC000583330464 937352389 /nfs/dbraw/zinc/35/23/89/937352389.db2.gz ZZSTZBVBFPIWCO-FQEVSTJZSA-N 1 0 365.477 3.958 20 30 FHEDRO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728267074 929793964 /nfs/dbraw/zinc/79/39/64/929793964.db2.gz ASOPVLNOUMAGDZ-INIZCTEOSA-N 1 0 364.493 3.570 20 30 FHEDRO C[C@@H](NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000610322091 929926185 /nfs/dbraw/zinc/92/61/85/929926185.db2.gz NGJTWOAGLIRXDE-UTKZUKDTSA-N 1 0 362.477 3.535 20 30 FHEDRO C[C@H]1CCC[C@@H](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000134083935 929953799 /nfs/dbraw/zinc/95/37/99/929953799.db2.gz FAWXNKLKZBRTIH-GHTZIAJQSA-N 1 0 353.510 3.809 20 30 FHEDRO C[C@@H](O)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC001167333759 929959043 /nfs/dbraw/zinc/95/90/43/929959043.db2.gz ZLEHLAQXNFBKIQ-OAHLLOKOSA-N 1 0 355.400 3.952 20 30 FHEDRO COc1cccc(C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@@H]2CCCO2)c1 ZINC000135004748 929978275 /nfs/dbraw/zinc/97/82/75/929978275.db2.gz ZMHMQHZTKGLWTB-NRFANRHFSA-N 1 0 366.461 3.757 20 30 FHEDRO CC(=NNCc1cccc2cccnc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000748134203 930027806 /nfs/dbraw/zinc/02/78/06/930027806.db2.gz UMTZQPIYUXSXKP-UHFFFAOYSA-N 1 0 362.477 3.689 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610343491 930044502 /nfs/dbraw/zinc/04/45/02/930044502.db2.gz JIYUJIVKDVZZQU-HZPDHXFCSA-N 1 0 353.491 3.874 20 30 FHEDRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610345969 930047900 /nfs/dbraw/zinc/04/79/00/930047900.db2.gz FKFWSLBJQVNVQR-CHWSQXEVSA-N 1 0 357.841 3.898 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000610346461 930056840 /nfs/dbraw/zinc/05/68/40/930056840.db2.gz RQRIJFJNXGFADV-QGZVFWFLSA-N 1 0 364.493 3.960 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348942 930065218 /nfs/dbraw/zinc/06/52/18/930065218.db2.gz CZKBNIDURYDECO-FIKGOQFSSA-N 1 0 362.477 3.754 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000610350346 930085944 /nfs/dbraw/zinc/08/59/44/930085944.db2.gz SNXUICCFMQYHPA-JXFKEZNVSA-N 1 0 350.466 3.530 20 30 FHEDRO C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000610351884 930090327 /nfs/dbraw/zinc/09/03/27/930090327.db2.gz NEMHXCKHRBXQGU-QZTJIDSGSA-N 1 0 362.477 3.535 20 30 FHEDRO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000610356030 930106758 /nfs/dbraw/zinc/10/67/58/930106758.db2.gz HUBUSMDWUCMAKB-QGZVFWFLSA-N 1 0 362.477 3.714 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](OCCC(C)C)C2)c1C ZINC000083247184 930194816 /nfs/dbraw/zinc/19/48/16/930194816.db2.gz HVZKPRMYLHVFDS-HXUWFJFHSA-N 1 0 371.525 3.687 20 30 FHEDRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000610422478 930497245 /nfs/dbraw/zinc/49/72/45/930497245.db2.gz JUCALIASSKWNES-UHFFFAOYSA-N 1 0 364.449 3.804 20 30 FHEDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610422491 930497299 /nfs/dbraw/zinc/49/72/99/930497299.db2.gz KRMFPGZYVCMIFO-GJZGRUSLSA-N 1 0 350.422 3.557 20 30 FHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1cccc(C#N)c1 ZINC000074918585 930600098 /nfs/dbraw/zinc/60/00/98/930600098.db2.gz IKTJWQVSWCLWLE-MRXNPFEDSA-N 1 0 368.456 3.532 20 30 FHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(C#N)c(Cl)c3)cccc21 ZINC000580381822 930600391 /nfs/dbraw/zinc/60/03/91/930600391.db2.gz NCJBQRXHVYZMPA-KRWDZBQOSA-N 1 0 355.825 3.849 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)ccc1OC ZINC000580381578 930600444 /nfs/dbraw/zinc/60/04/44/930600444.db2.gz LOXNRQMWMLJOSP-NZQKXSOJSA-N 1 0 367.489 3.906 20 30 FHEDRO CCC[C@@H]1CN(C(=O)c2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001266608898 930630582 /nfs/dbraw/zinc/63/05/82/930630582.db2.gz TWUZLZUXQJTVDG-LJQANCHMSA-N 1 0 365.452 3.824 20 30 FHEDRO COc1cccc([C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)N2CCCC2)c1 ZINC000579651916 930710320 /nfs/dbraw/zinc/71/03/20/930710320.db2.gz UDKZZRMCYSTBEG-PKTZIBPZSA-N 1 0 361.489 3.981 20 30 FHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 ZINC000580509021 930776968 /nfs/dbraw/zinc/77/69/68/930776968.db2.gz OZTDGLMFACVETM-UTKZUKDTSA-N 1 0 372.415 3.678 20 30 FHEDRO C=CCc1cc(C(=O)Nc2ccccc2CC[NH+](C)C)cc(OC)c1OC ZINC000275915239 930842757 /nfs/dbraw/zinc/84/27/57/930842757.db2.gz WDQRIPGWIDIXEP-UHFFFAOYSA-N 1 0 368.477 3.789 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C)C(C)C ZINC000471600020 930904743 /nfs/dbraw/zinc/90/47/43/930904743.db2.gz YTWVDSGMYODVHE-BZUAXINKSA-N 1 0 361.452 3.667 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000580723150 931055627 /nfs/dbraw/zinc/05/56/27/931055627.db2.gz QSZXROKCHQXRED-AEFFLSMTSA-N 1 0 355.507 3.536 20 30 FHEDRO N#Cc1ccncc1N1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000519059891 945070012 /nfs/dbraw/zinc/07/00/12/945070012.db2.gz FDOVCYCQXLGUJO-UHFFFAOYSA-N 1 0 356.473 3.861 20 30 FHEDRO C[C@H](CCNC(=O)N[C@@H](C)c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000610461686 931149833 /nfs/dbraw/zinc/14/98/33/931149833.db2.gz CSXTYIRFOBNBKN-MSOLQXFVSA-N 1 0 364.493 3.829 20 30 FHEDRO CC(C)Oc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cn1 ZINC000160663916 931271127 /nfs/dbraw/zinc/27/11/27/931271127.db2.gz ZBIUJSXTBJQJTB-UHFFFAOYSA-N 1 0 368.359 3.694 20 30 FHEDRO Cc1ccccc1C[N@@H+]1CCCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000077189425 931334634 /nfs/dbraw/zinc/33/46/34/931334634.db2.gz XGYIJPYZMMEIKR-UHFFFAOYSA-N 1 0 357.461 3.522 20 30 FHEDRO [NH2+]=C(NCCCCNc1ccccn1)Nc1ccccc1OC(F)(F)F ZINC000160711296 931436571 /nfs/dbraw/zinc/43/65/71/931436571.db2.gz UTMDRLOKLJOMTF-UHFFFAOYSA-N 1 0 367.375 3.599 20 30 FHEDRO [NH2+]=C(NCc1cccc(-c2ccccn2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000160788261 931626200 /nfs/dbraw/zinc/62/62/00/931626200.db2.gz JQRSJQQFOJDDJZ-UHFFFAOYSA-N 1 0 374.444 3.837 20 30 FHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN(CCC#N)Cc1ccccn1 ZINC000093100582 931709527 /nfs/dbraw/zinc/70/95/27/931709527.db2.gz SJOZNDXVLWHFSM-UHFFFAOYSA-N 1 0 350.510 3.955 20 30 FHEDRO CN1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581398431 931957315 /nfs/dbraw/zinc/95/73/15/931957315.db2.gz NVOSJOASUJVYOB-WOJBJXKFSA-N 1 0 373.859 3.765 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@@H](c2nccn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000328782974 932049243 /nfs/dbraw/zinc/04/92/43/932049243.db2.gz NIDJUWICNORFKN-PIKUFOSFSA-N 1 0 356.514 3.728 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1CCS(=O)(=O)CC1 ZINC000187418639 932213440 /nfs/dbraw/zinc/21/34/40/932213440.db2.gz LVWYSFDQJXFKMJ-MRXNPFEDSA-N 1 0 368.502 3.528 20 30 FHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)c2snc(C)c2C#N)cc1 ZINC000891434885 932296950 /nfs/dbraw/zinc/29/69/50/932296950.db2.gz WEQBLMKRNFFBTP-UHFFFAOYSA-N 1 0 356.495 3.832 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](O)c2ccc(Cl)c(F)c2)cc1Cl ZINC000134546269 932312487 /nfs/dbraw/zinc/31/24/87/932312487.db2.gz IZELKDAHLVLJKS-CQSZACIVSA-N 1 0 372.227 3.601 20 30 FHEDRO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178084089 932349783 /nfs/dbraw/zinc/34/97/83/932349783.db2.gz OFGGBYZHGAGNLV-GOSISDBHSA-N 1 0 371.550 3.562 20 30 FHEDRO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133435 932361684 /nfs/dbraw/zinc/36/16/84/932361684.db2.gz UNNOOHVROJEPBX-SIKLNZKXSA-N 1 0 363.461 3.596 20 30 FHEDRO COc1ccc([C@@H]([NH2+]CCOc2ccc(C#N)cc2OC)C2CC2)cc1 ZINC000157379376 932399077 /nfs/dbraw/zinc/39/90/77/932399077.db2.gz MUOIWWYCWVIIOQ-NRFANRHFSA-N 1 0 352.434 3.695 20 30 FHEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000477281264 932445417 /nfs/dbraw/zinc/44/54/17/932445417.db2.gz VMUGVYWFJFMZJC-MDNUFGMLSA-N 1 0 364.489 3.956 20 30 FHEDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cccn1Cc1ccccc1C#N ZINC000187429784 932560424 /nfs/dbraw/zinc/56/04/24/932560424.db2.gz WQRPKJGROBKHCT-NRFANRHFSA-N 1 0 359.477 3.651 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000328818569 932681976 /nfs/dbraw/zinc/68/19/76/932681976.db2.gz OIIPIDZYAWTUPP-IHRRRGAJSA-N 1 0 361.511 3.880 20 30 FHEDRO CCCC[N@H+](CC)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2C#N)c1 ZINC000471750583 932787624 /nfs/dbraw/zinc/78/76/24/932787624.db2.gz YJNWIXHMHBNLTQ-UHFFFAOYSA-N 1 0 367.453 3.517 20 30 FHEDRO CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548287735 932832583 /nfs/dbraw/zinc/83/25/83/932832583.db2.gz KLNZWFRKYQXKBF-GOSISDBHSA-N 1 0 353.853 3.558 20 30 FHEDRO CCC(CC)(CNC(=O)NCC1(CC#N)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000430680064 932865672 /nfs/dbraw/zinc/86/56/72/932865672.db2.gz RGHKJSPVVXUOPH-KRWDZBQOSA-N 1 0 356.514 3.889 20 30 FHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548303257 932901353 /nfs/dbraw/zinc/90/13/53/932901353.db2.gz HKVZCFJRSPJISS-UHFFFAOYSA-N 1 0 355.869 3.983 20 30 FHEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc(C#N)ccc1OC ZINC000581907947 932972955 /nfs/dbraw/zinc/97/29/55/932972955.db2.gz MMMHZCAHRABJIT-UHFFFAOYSA-N 1 0 358.486 3.687 20 30 FHEDRO Cc1cccc(C([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2cccc(C)c2)c1 ZINC000084494357 932993334 /nfs/dbraw/zinc/99/33/34/932993334.db2.gz IDVPILXZHQPTGB-QHCPKHFHSA-N 1 0 361.489 3.791 20 30 FHEDRO Cc1ccc2c(c1)nc(C[NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)n2C ZINC000187575591 933010028 /nfs/dbraw/zinc/01/00/28/933010028.db2.gz MMCBJJMRJBHVNV-UHFFFAOYSA-N 1 0 373.504 3.508 20 30 FHEDRO Cc1ccc(C(F)(F)F)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000086302199 933097442 /nfs/dbraw/zinc/09/74/42/933097442.db2.gz OONQYBSUHWAWOK-UHFFFAOYSA-N 1 0 356.392 3.713 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000430763233 933215756 /nfs/dbraw/zinc/21/57/56/933215756.db2.gz NLGNPAJDDOUZGB-JZXOWHBKSA-N 1 0 357.523 3.780 20 30 FHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+](C)C ZINC000510552506 933217292 /nfs/dbraw/zinc/21/72/92/933217292.db2.gz VTUGMWONUFMKRE-DYESRHJHSA-N 1 0 361.489 3.971 20 30 FHEDRO C[C@H]1C[C@@H](CCNC(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000510675421 933396958 /nfs/dbraw/zinc/39/69/58/933396958.db2.gz ONGGIQSCKJZMCF-FXAWDEMLSA-N 1 0 362.477 3.980 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000610605344 933513052 /nfs/dbraw/zinc/51/30/52/933513052.db2.gz YUMMBBXOWBGKLB-IRLDBZIGSA-N 1 0 368.452 3.859 20 30 FHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC([NH+]2CCCC2)CC1 ZINC000178372795 933587454 /nfs/dbraw/zinc/58/74/54/933587454.db2.gz YYRSSALWVSBLLE-UHFFFAOYSA-N 1 0 358.848 3.964 20 30 FHEDRO C=CCOc1cccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000510745673 933618072 /nfs/dbraw/zinc/61/80/72/933618072.db2.gz CBFYVVCPFGVAOP-UHFFFAOYSA-N 1 0 365.477 3.821 20 30 FHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000610669281 933695537 /nfs/dbraw/zinc/69/55/37/933695537.db2.gz IKPYJJTUDOHVSX-HNNXBMFYSA-N 1 0 369.415 3.573 20 30 FHEDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc(C#N)cc3C3CC3)n2)CC1 ZINC000933847187 933706456 /nfs/dbraw/zinc/70/64/56/933706456.db2.gz FPGDAUPTDUWSKP-UHFFFAOYSA-N 1 0 364.453 3.543 20 30 FHEDRO C[NH+]1CCC(n2cc(NC(=O)Nc3ccc(C#N)cc3C3CC3)cn2)CC1 ZINC000933855584 933722401 /nfs/dbraw/zinc/72/24/01/933722401.db2.gz WYTAUGFFLSYAAT-UHFFFAOYSA-N 1 0 364.453 3.543 20 30 FHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000471927182 933835067 /nfs/dbraw/zinc/83/50/67/933835067.db2.gz ADJCPGXNMZEEGK-ROUUACIJSA-N 1 0 354.841 3.779 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC#N)cc1 ZINC000276891135 933880949 /nfs/dbraw/zinc/88/09/49/933880949.db2.gz HSBHACJTCLZROK-OXJNMPFZSA-N 1 0 355.482 3.563 20 30 FHEDRO COc1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1OCCCC#N ZINC000092219129 933938933 /nfs/dbraw/zinc/93/89/33/933938933.db2.gz DGMBDUYNPKNZMZ-HXUWFJFHSA-N 1 0 371.525 3.828 20 30 FHEDRO C=CCN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000092471931 934064131 /nfs/dbraw/zinc/06/41/31/934064131.db2.gz SVWYGQCDZSSSCO-UHFFFAOYSA-N 1 0 355.448 3.767 20 30 FHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000561764568 934078376 /nfs/dbraw/zinc/07/83/76/934078376.db2.gz DANLFCSXEABIDD-MRXNPFEDSA-N 1 0 367.497 3.757 20 30 FHEDRO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610774852 934158103 /nfs/dbraw/zinc/15/81/03/934158103.db2.gz YCZUIJYRONVLMM-LAUBAEHRSA-N 1 0 362.477 3.535 20 30 FHEDRO CN(C(=O)c1cc2ccccc2n1CC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610774919 934161615 /nfs/dbraw/zinc/16/16/15/934161615.db2.gz BKTKAPLCONGHTE-HXUWFJFHSA-N 1 0 372.472 3.511 20 30 FHEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000535794424 934386625 /nfs/dbraw/zinc/38/66/25/934386625.db2.gz XUEZOPCCLCYIQH-KRWDZBQOSA-N 1 0 356.388 3.912 20 30 FHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000458225158 934397141 /nfs/dbraw/zinc/39/71/41/934397141.db2.gz PEUBAGXRFJRLNT-IBGZPJMESA-N 1 0 355.507 3.726 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCc4c3cccc4Cl)CC2)nc1 ZINC000610809757 934450442 /nfs/dbraw/zinc/45/04/42/934450442.db2.gz UZWLTFYWSOOWQK-IBGZPJMESA-N 1 0 352.869 3.853 20 30 FHEDRO N#CCN1CCC([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000610812702 934462543 /nfs/dbraw/zinc/46/25/43/934462543.db2.gz JSJUPPWLQGSGSF-UHFFFAOYSA-N 1 0 369.459 3.696 20 30 FHEDRO CCCOc1ccc([C@@H](C)[NH2+]C2CCN(CC#N)CC2)cc1OCCC ZINC000610813412 934480931 /nfs/dbraw/zinc/48/09/31/934480931.db2.gz GGGPNRGALVAJQA-QGZVFWFLSA-N 1 0 359.514 3.903 20 30 FHEDRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]C1CCN(CC#N)CC1 ZINC000610813439 934481814 /nfs/dbraw/zinc/48/18/14/934481814.db2.gz HFJKKNJHMMHHIL-KRWDZBQOSA-N 1 0 364.331 3.738 20 30 FHEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000176202263 934600182 /nfs/dbraw/zinc/60/01/82/934600182.db2.gz RAVBAIRDSRYJBS-SFHVURJKSA-N 1 0 362.882 3.726 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000610915983 934623265 /nfs/dbraw/zinc/62/32/65/934623265.db2.gz DHWQBYIVUPCTFL-SFHVURJKSA-N 1 0 360.523 3.904 20 30 FHEDRO Cc1cc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c2ccccc2n1 ZINC000255426042 934642733 /nfs/dbraw/zinc/64/27/33/934642733.db2.gz GIYMDXUWMNYSHA-UHFFFAOYSA-N 1 0 361.445 3.931 20 30 FHEDRO C[NH+](C)CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000181500259 934709547 /nfs/dbraw/zinc/70/95/47/934709547.db2.gz MASOGUUTCDUTOL-QGZVFWFLSA-N 1 0 356.857 3.679 20 30 FHEDRO N#Cc1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccn1 ZINC000610991622 934717902 /nfs/dbraw/zinc/71/79/02/934717902.db2.gz UKPPLAURENPTII-UHFFFAOYSA-N 1 0 368.484 3.860 20 30 FHEDRO C=CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000236663904 934761119 /nfs/dbraw/zinc/76/11/19/934761119.db2.gz KYMRDHRQTZBIKR-UHFFFAOYSA-N 1 0 373.504 3.674 20 30 FHEDRO C=C(C)[C@@H](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)OCC ZINC000535910096 934782055 /nfs/dbraw/zinc/78/20/55/934782055.db2.gz MLCHNTBCRPZOMY-NHCUHLMSSA-N 1 0 374.525 3.710 20 30 FHEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000538394631 934837583 /nfs/dbraw/zinc/83/75/83/934837583.db2.gz IQXQBBVXXGTXIP-OFAXGOBFSA-N 1 0 363.505 3.888 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(C)(C#N)CC1 ZINC000611561020 934842220 /nfs/dbraw/zinc/84/22/20/934842220.db2.gz WYVDQNMREXHSNW-SFHVURJKSA-N 1 0 369.509 3.706 20 30 FHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000538684447 934887391 /nfs/dbraw/zinc/88/73/91/934887391.db2.gz LDRPTMUKPOSDQR-QGZVFWFLSA-N 1 0 367.880 3.806 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)NCC2(CC#N)CC2)[NH+](CC)CC)cc1 ZINC000431307384 934968545 /nfs/dbraw/zinc/96/85/45/934968545.db2.gz GDYJODZSRBLWDL-IBGZPJMESA-N 1 0 356.514 3.625 20 30 FHEDRO COc1cccc(NC(=[NH2+])NCc2ccnc(OC3CCCCC3)c2)c1 ZINC000104183955 935004591 /nfs/dbraw/zinc/00/45/91/935004591.db2.gz DZXLOSNCCHRNAU-UHFFFAOYSA-N 1 0 354.454 3.729 20 30 FHEDRO [NH2+]=C(NCCc1ccccc1)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000104183223 935004806 /nfs/dbraw/zinc/00/48/06/935004806.db2.gz OOEUWKRENZTDCJ-UHFFFAOYSA-N 1 0 364.424 3.660 20 30 FHEDRO C#Cc1cccc(NC(=S)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000728453078 935027881 /nfs/dbraw/zinc/02/78/81/935027881.db2.gz HMZZTJLUQVPASG-FQEVSTJZSA-N 1 0 363.530 3.519 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1sccc1C#N ZINC000511769631 945070773 /nfs/dbraw/zinc/07/07/73/945070773.db2.gz JOKDFMWEVDXLNW-QGZVFWFLSA-N 1 0 353.491 3.650 20 30 FHEDRO CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000509544633 945074164 /nfs/dbraw/zinc/07/41/64/945074164.db2.gz QKNIVZNLEDEPFM-PKOBYXMFSA-N 1 0 363.452 3.588 20 30 FHEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000178518976 935079644 /nfs/dbraw/zinc/07/96/44/935079644.db2.gz DOBHQBLQBNYRLC-UHFFFAOYSA-N 1 0 364.445 3.897 20 30 FHEDRO CN(C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000539210024 935083131 /nfs/dbraw/zinc/08/31/31/935083131.db2.gz ZIOAECVKWRQPBI-NRFANRHFSA-N 1 0 374.488 3.603 20 30 FHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000157542173 935088975 /nfs/dbraw/zinc/08/89/75/935088975.db2.gz QZLYHZDORDLUFF-GFCCVEGCSA-N 1 0 373.888 3.761 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000539279052 935131752 /nfs/dbraw/zinc/13/17/52/935131752.db2.gz JLMZNAPNJHXERU-FUHWJXTLSA-N 1 0 364.367 3.581 20 30 FHEDRO CC(C)Oc1ccccc1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000519052348 945078695 /nfs/dbraw/zinc/07/86/95/945078695.db2.gz RRJWCNCIUGBVTI-UHFFFAOYSA-N 1 0 353.441 3.807 20 30 FHEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(=O)NCC1CCCC1 ZINC000582034742 935151392 /nfs/dbraw/zinc/15/13/92/935151392.db2.gz PKEIFIIPDGTMOE-UHFFFAOYSA-N 1 0 367.415 3.752 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)N(CCC#N)c1ccccc1 ZINC000507263751 945087591 /nfs/dbraw/zinc/08/75/91/945087591.db2.gz CPFXNXFJCRYACX-JKSUJKDBSA-N 1 0 361.449 3.549 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000051421467 935221270 /nfs/dbraw/zinc/22/12/70/935221270.db2.gz RRLOHPQRMVFNIO-AZUAARDMSA-N 1 0 356.853 3.788 20 30 FHEDRO N#Cc1ccccc1N1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000507276328 945090462 /nfs/dbraw/zinc/09/04/62/945090462.db2.gz GHXMSPFEDYBNNP-UHFFFAOYSA-N 1 0 362.408 3.675 20 30 FHEDRO CC[N@H+](Cc1ccccc1OCC(=O)N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000119870063 935306665 /nfs/dbraw/zinc/30/66/65/935306665.db2.gz YMBFIFSGWNUVPM-QGZVFWFLSA-N 1 0 365.477 3.608 20 30 FHEDRO CCOC(=O)CC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000519598110 945092695 /nfs/dbraw/zinc/09/26/95/945092695.db2.gz SFBVXQXTYAPDPV-IIBYNOLFSA-N 1 0 366.461 3.580 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551679029 935326836 /nfs/dbraw/zinc/32/68/36/935326836.db2.gz IMWHTHWATCUNGB-HXUWFJFHSA-N 1 0 365.452 3.728 20 30 FHEDRO C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000611580560 935338527 /nfs/dbraw/zinc/33/85/27/935338527.db2.gz XZNFVUOXZKHCJZ-BXWFABGCSA-N 1 0 354.498 3.571 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3c4ccccc4C[C@H]3O)c2)c1 ZINC000085334698 935447949 /nfs/dbraw/zinc/44/79/49/935447949.db2.gz BOJUCRQKYUOHDV-DNQXCXABSA-N 1 0 370.452 3.885 20 30 FHEDRO CSC1(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)CC[NH+](C)CC1 ZINC000431377040 935448811 /nfs/dbraw/zinc/44/88/11/935448811.db2.gz XFYRIEHWCKBFNI-SFHVURJKSA-N 1 0 374.554 3.548 20 30 FHEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000091174694 935452322 /nfs/dbraw/zinc/45/23/22/935452322.db2.gz MHSRGGPLRNCYAZ-UHFFFAOYSA-N 1 0 364.449 3.910 20 30 FHEDRO N#Cc1ccccc1N1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000506387642 945102314 /nfs/dbraw/zinc/10/23/14/945102314.db2.gz SOYGKRPYMHOJNT-UHFFFAOYSA-N 1 0 354.457 3.942 20 30 FHEDRO C[N@H+](CCc1cccc2ccccc21)CC(=O)NCc1cccc(C#N)c1 ZINC000507281168 945104856 /nfs/dbraw/zinc/10/48/56/945104856.db2.gz SUEMKFULWQWUBB-UHFFFAOYSA-N 1 0 357.457 3.502 20 30 FHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC001167562668 935513756 /nfs/dbraw/zinc/51/37/56/935513756.db2.gz ORUGJJGGOKVGEF-YJBOKZPZSA-N 1 0 373.497 3.692 20 30 FHEDRO Cc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)c(N2CCCC2)n1 ZINC000611585641 935521873 /nfs/dbraw/zinc/52/18/73/935521873.db2.gz YXAOLRPYAGCDRR-UHFFFAOYSA-N 1 0 364.493 3.963 20 30 FHEDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)c1ccc(C#N)cc1F ZINC000611589682 935569148 /nfs/dbraw/zinc/56/91/48/935569148.db2.gz TUZMBCUDPUKQQI-UYHISHBKSA-N 1 0 366.358 3.882 20 30 FHEDRO C[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)c1ccc(C#N)cc1F ZINC000611589681 935569237 /nfs/dbraw/zinc/56/92/37/935569237.db2.gz TUZMBCUDPUKQQI-RZAIGCCYSA-N 1 0 366.358 3.882 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511120262 935679716 /nfs/dbraw/zinc/67/97/16/935679716.db2.gz CTJLEPLOFHOARN-HNNXBMFYSA-N 1 0 372.431 3.873 20 30 FHEDRO N#CCc1ccsc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC000892260739 935686670 /nfs/dbraw/zinc/68/66/70/935686670.db2.gz CIFONTLYIWYOQQ-RBUKOAKNSA-N 1 0 365.502 3.696 20 30 FHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511122172 935690512 /nfs/dbraw/zinc/69/05/12/935690512.db2.gz MVPICWMMBKAKQH-FOIQADDNSA-N 1 0 363.452 3.556 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000511787894 945118296 /nfs/dbraw/zinc/11/82/96/945118296.db2.gz SJNOFFLPMRANHK-MRXNPFEDSA-N 1 0 371.500 3.746 20 30 FHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000509566043 945119217 /nfs/dbraw/zinc/11/92/17/945119217.db2.gz COLDVFWYLMKFHX-QAPCUYQASA-N 1 0 366.465 3.569 20 30 FHEDRO COC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1C#N ZINC000582467897 935744402 /nfs/dbraw/zinc/74/44/02/935744402.db2.gz XJCWPHDKAMPOBH-LRDDRELGSA-N 1 0 354.372 3.946 20 30 FHEDRO N#CCC[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000158972258 935775316 /nfs/dbraw/zinc/77/53/16/935775316.db2.gz SZMVJHIDZWBSSZ-RTBURBONSA-N 1 0 366.465 3.761 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccs1 ZINC000158963654 935776504 /nfs/dbraw/zinc/77/65/04/935776504.db2.gz MXSNQVSNCKJOBW-IRXDYDNUSA-N 1 0 356.495 3.695 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277659946 935785267 /nfs/dbraw/zinc/78/52/67/935785267.db2.gz NVOQZEWPPTTYAS-OAQYLSRUSA-N 1 0 361.445 3.854 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000582520213 935795447 /nfs/dbraw/zinc/79/54/47/935795447.db2.gz RGOVBYPDMZKLHI-UYAOXDASSA-N 1 0 367.541 3.906 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582534263 935806700 /nfs/dbraw/zinc/80/67/00/935806700.db2.gz YMNLKWSQDBEVOI-HNAYVOBHSA-N 1 0 358.511 3.546 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+][C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000375723192 935892560 /nfs/dbraw/zinc/89/25/60/935892560.db2.gz DEJYYBURASMWEP-UYAOXDASSA-N 1 0 350.466 3.694 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000255520227 935946448 /nfs/dbraw/zinc/94/64/48/935946448.db2.gz VVLVYHVQIPJBCF-YPKPFQOOSA-N 1 0 352.400 3.875 20 30 FHEDRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000755195635 935961238 /nfs/dbraw/zinc/96/12/38/935961238.db2.gz PGEZEIJGJPVSTR-QGZVFWFLSA-N 1 0 363.230 3.625 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCc1cccc2ccccc21 ZINC000507319740 945140896 /nfs/dbraw/zinc/14/08/96/945140896.db2.gz POFDJGULMJGZMI-JTSKRJEESA-N 1 0 351.494 3.757 20 30 FHEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000582714395 935978045 /nfs/dbraw/zinc/97/80/45/935978045.db2.gz KKSCTTIAUIUDOR-KSSFIOAISA-N 1 0 366.490 3.829 20 30 FHEDRO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCCSCC#N)CC1 ZINC000074991610 936002585 /nfs/dbraw/zinc/00/25/85/936002585.db2.gz PFAWEXMQGGRFNC-GOSISDBHSA-N 1 0 353.482 3.680 20 30 FHEDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc(C(F)(F)F)c(C#N)n3)cccc21 ZINC000548759400 936008812 /nfs/dbraw/zinc/00/88/12/936008812.db2.gz UIKFPIVLEFDFAN-OAHLLOKOSA-N 1 0 362.355 3.523 20 30 FHEDRO CCCC[N@H+](C)CC1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075642716 936014040 /nfs/dbraw/zinc/01/40/40/936014040.db2.gz UEVCOYOZYRVVGJ-UHFFFAOYSA-N 1 0 367.497 3.552 20 30 FHEDRO C=CCC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000657583308 936053434 /nfs/dbraw/zinc/05/34/34/936053434.db2.gz IQGXJWBASCNSAE-UHFFFAOYSA-N 1 0 351.288 3.528 20 30 FHEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000544037310 936120297 /nfs/dbraw/zinc/12/02/97/936120297.db2.gz DDYCRYLOIUHKDB-NEPJUHHUSA-N 1 0 352.500 3.813 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000166336235 936151628 /nfs/dbraw/zinc/15/16/28/936151628.db2.gz ZMXVZOSQUYDCCH-UHFFFAOYSA-N 1 0 364.449 3.815 20 30 FHEDRO C=CCOCCC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000657658987 936179878 /nfs/dbraw/zinc/17/98/78/936179878.db2.gz MVUYSDCYZRGTHA-UHFFFAOYSA-N 1 0 364.287 3.626 20 30 FHEDRO Cc1cccc(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000161831088 936309106 /nfs/dbraw/zinc/30/91/06/936309106.db2.gz VXFMMTCJWRHDEI-UHFFFAOYSA-N 1 0 350.466 3.771 20 30 FHEDRO CC1(C)CN(c2ccc(C#N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000519154965 945162945 /nfs/dbraw/zinc/16/29/45/945162945.db2.gz GFKYUKYHIPEXQF-UHFFFAOYSA-N 1 0 350.422 3.567 20 30 FHEDRO CC(C)C[C@@H](CNC(=O)N(C)CC(C)(C)C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000458573249 938293421 /nfs/dbraw/zinc/29/34/21/938293421.db2.gz XAIKGYHRYOMUKX-HKUYNNGSSA-N 1 0 358.530 3.943 20 30 FHEDRO C=C(Br)CN1CCC[C@@H]([N@H+](C)CC(=C)Br)CC1 ZINC000156992748 938301984 /nfs/dbraw/zinc/30/19/84/938301984.db2.gz FZHBTVKWFXZBSQ-CYBMUJFWSA-N 1 0 366.141 3.590 20 30 FHEDRO COc1ccc(C#N)cc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000178924061 938308538 /nfs/dbraw/zinc/30/85/38/938308538.db2.gz ZBOKRTZHIAPQJJ-UHFFFAOYSA-N 1 0 350.462 3.791 20 30 FHEDRO Cc1cc(C)n(-c2cccc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c2)n1 ZINC000329269226 938309056 /nfs/dbraw/zinc/30/90/56/938309056.db2.gz GUZOOSCMCWMTBW-FQEVSTJZSA-N 1 0 367.497 3.595 20 30 FHEDRO C=CCN(CC=C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245696877 938310167 /nfs/dbraw/zinc/31/01/67/938310167.db2.gz MQRKWXIXWABTNK-MAUKXSAKSA-N 1 0 365.880 3.856 20 30 FHEDRO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000245842021 938317567 /nfs/dbraw/zinc/31/75/67/938317567.db2.gz DQOAKZGYWWWJAY-QZTJIDSGSA-N 1 0 371.525 3.718 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](=O)CC)C2)ccc1OC ZINC000246106303 938339602 /nfs/dbraw/zinc/33/96/02/938339602.db2.gz BOHNDAFLWKUYGA-GAKIBJFNSA-N 1 0 365.539 3.820 20 30 FHEDRO CON=Cc1ccc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000255574670 938349579 /nfs/dbraw/zinc/34/95/79/938349579.db2.gz PRUBZOYQJBACAW-UHFFFAOYSA-N 1 0 351.450 3.558 20 30 FHEDRO N#Cc1ccnc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000052508488 938353757 /nfs/dbraw/zinc/35/37/57/938353757.db2.gz PJUXZJUVISHGOD-UHFFFAOYSA-N 1 0 352.441 3.845 20 30 FHEDRO CC[C@@](C)(C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)OC ZINC000926521055 938359827 /nfs/dbraw/zinc/35/98/27/938359827.db2.gz XOAUUENNQSCLLW-APWZRJJASA-N 1 0 367.534 3.711 20 30 FHEDRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000583732506 938383641 /nfs/dbraw/zinc/38/36/41/938383641.db2.gz KMOQEHVIMITYSK-UHFFFAOYSA-N 1 0 357.479 3.509 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247252319 938452519 /nfs/dbraw/zinc/45/25/19/938452519.db2.gz WFGMKACGORUZGX-CVEARBPZSA-N 1 0 358.511 3.640 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000437247038 945178401 /nfs/dbraw/zinc/17/84/01/945178401.db2.gz WUPKEJRSVDHKMS-YLJYHZDGSA-N 1 0 355.434 3.804 20 30 FHEDRO Cc1csc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1C#N ZINC000583942795 938493933 /nfs/dbraw/zinc/49/39/33/938493933.db2.gz OYSXNISNKWRYOD-UHFFFAOYSA-N 1 0 372.469 3.853 20 30 FHEDRO CC[NH+](CC)[C@@H](CNc1nc2cc(Cl)ccn2c1C#N)c1ccco1 ZINC000583951691 938498136 /nfs/dbraw/zinc/49/81/36/938498136.db2.gz LLRYDUKHNSSZTC-HNNXBMFYSA-N 1 0 357.845 3.947 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000583955403 938502618 /nfs/dbraw/zinc/50/26/18/938502618.db2.gz PQCVKWZNQFCSQH-DENIHFKCSA-N 1 0 353.510 3.735 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(-c3nc(C)co3)c2)CC1 ZINC000158455667 938528497 /nfs/dbraw/zinc/52/84/97/938528497.db2.gz OBMBAKHZTWYKOF-UHFFFAOYSA-N 1 0 354.454 3.812 20 30 FHEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccs1 ZINC000278581463 938555864 /nfs/dbraw/zinc/55/58/64/938555864.db2.gz FTKIBEONNSFDOI-UHFFFAOYSA-N 1 0 365.506 3.988 20 30 FHEDRO C[C@H]1C[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000158656202 938562146 /nfs/dbraw/zinc/56/21/46/938562146.db2.gz BKDPKBUBKZUIBN-PXNSSMCTSA-N 1 0 362.477 3.785 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000248440295 938587474 /nfs/dbraw/zinc/58/74/74/938587474.db2.gz CZHUZDHFAWMVEW-LSDHHAIUSA-N 1 0 363.552 3.843 20 30 FHEDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801185 938596661 /nfs/dbraw/zinc/59/66/61/938596661.db2.gz KFYOOCBJFUQSCF-MRXNPFEDSA-N 1 0 350.422 3.740 20 30 FHEDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000329674715 938603350 /nfs/dbraw/zinc/60/33/50/938603350.db2.gz VNEVXWCFZAFKNN-RGCFKVTRSA-N 1 0 355.482 3.629 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC=C(c3cccc(OC)c3)CC2)CC1 ZINC000531208897 945193212 /nfs/dbraw/zinc/19/32/12/945193212.db2.gz MVSJTBQUNAWZMI-UHFFFAOYSA-N 1 0 369.509 3.534 20 30 FHEDRO CCCCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000584243938 938654593 /nfs/dbraw/zinc/65/45/93/938654593.db2.gz FRFOAWDZIYXVME-KRWDZBQOSA-N 1 0 365.477 3.704 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000187957492 938670987 /nfs/dbraw/zinc/67/09/87/938670987.db2.gz BBCPNAQRGXARFN-UHFFFAOYSA-N 1 0 351.494 3.503 20 30 FHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000163443694 938678267 /nfs/dbraw/zinc/67/82/67/938678267.db2.gz SRJWOKUCQXEJOD-UHFFFAOYSA-N 1 0 355.388 3.993 20 30 FHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccccc2C#N)CC1 ZINC000179085104 938801962 /nfs/dbraw/zinc/80/19/62/938801962.db2.gz HFCBRFRTCYWRNS-QGZVFWFLSA-N 1 0 366.484 3.690 20 30 FHEDRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000480311487 938832046 /nfs/dbraw/zinc/83/20/46/938832046.db2.gz SBIWBHCEFAYLTN-NSHDSACASA-N 1 0 350.235 3.519 20 30 FHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000248759202 938887157 /nfs/dbraw/zinc/88/71/57/938887157.db2.gz GKXKZWJDVPYPOD-BFQNTYOBSA-N 1 0 352.265 3.771 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000458799746 938937832 /nfs/dbraw/zinc/93/78/32/938937832.db2.gz KBDMHGGMJJJECM-HXUWFJFHSA-N 1 0 354.498 3.691 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCOc2ccc(C)cc2Cl)CC1 ZINC000164413748 938972441 /nfs/dbraw/zinc/97/24/41/938972441.db2.gz NLPMFHKUVQQWOO-UHFFFAOYSA-N 1 0 364.917 3.964 20 30 FHEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000472336199 938994083 /nfs/dbraw/zinc/99/40/83/938994083.db2.gz DNWZTOKTDSUPEX-ZNLUXHQJSA-N 1 0 359.473 3.617 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000174144899 938998856 /nfs/dbraw/zinc/99/88/56/938998856.db2.gz WJIUEDZCOWPOGA-IAGOWNOFSA-N 1 0 357.498 3.889 20 30 FHEDRO N#Cc1cccc(Cl)c1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413574296 938999522 /nfs/dbraw/zinc/99/95/22/938999522.db2.gz GDXCNNFCWJJEOB-UHFFFAOYSA-N 1 0 355.869 3.651 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)C(=O)N2CCCC[C@H]2C)ccc1OC ZINC000102427645 939018567 /nfs/dbraw/zinc/01/85/67/939018567.db2.gz YRTLRHUOPPNGDN-IAGOWNOFSA-N 1 0 360.498 3.529 20 30 FHEDRO N#Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612037567 939023341 /nfs/dbraw/zinc/02/33/41/939023341.db2.gz GPHZEEXFRZHYNO-CEMLEFRQSA-N 1 0 374.488 3.980 20 30 FHEDRO N#Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612037568 939023379 /nfs/dbraw/zinc/02/33/79/939023379.db2.gz GPHZEEXFRZHYNO-ILWGZMRPSA-N 1 0 374.488 3.980 20 30 FHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000506753062 945223844 /nfs/dbraw/zinc/22/38/44/945223844.db2.gz PINKENDCGXOBMZ-HNNXBMFYSA-N 1 0 359.489 3.602 20 30 FHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000506753063 945224105 /nfs/dbraw/zinc/22/41/05/945224105.db2.gz PINKENDCGXOBMZ-OAHLLOKOSA-N 1 0 359.489 3.602 20 30 FHEDRO N#CCc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612132471 939123652 /nfs/dbraw/zinc/12/36/52/939123652.db2.gz TXDITEPFWMFRBH-RJGXRXQPSA-N 1 0 373.500 3.783 20 30 FHEDRO C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507429556 945232155 /nfs/dbraw/zinc/23/21/55/945232155.db2.gz PASBSDNSYMUMNY-KKSFZXQISA-N 1 0 365.452 3.804 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000548883583 939188791 /nfs/dbraw/zinc/18/87/91/939188791.db2.gz QMAVASWPWUCGED-VQTJNVASSA-N 1 0 357.498 3.570 20 30 FHEDRO COc1cccc(C=Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1O ZINC000255773961 939205198 /nfs/dbraw/zinc/20/51/98/939205198.db2.gz PVIZOOPKHYVTKU-UHFFFAOYSA-N 1 0 365.477 3.683 20 30 FHEDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000612194002 939220379 /nfs/dbraw/zinc/22/03/79/939220379.db2.gz CIBURODUYIMPFO-NRFANRHFSA-N 1 0 372.472 3.614 20 30 FHEDRO C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000425784252 945240096 /nfs/dbraw/zinc/24/00/96/945240096.db2.gz JTAABRMFHWWOHZ-XGHQBKJUSA-N 1 0 364.493 3.952 20 30 FHEDRO CC[NH+]=C(NCc1nc(C(C)C)cs1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261962341 945243200 /nfs/dbraw/zinc/24/32/00/945243200.db2.gz KORBPOIXTMYODC-XKQJLSEDSA-N 1 0 364.559 3.525 20 30 FHEDRO COc1ncccc1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000261963605 945265944 /nfs/dbraw/zinc/26/59/44/945265944.db2.gz AENVUWNJJVBCEF-JTQLQIEISA-N 1 0 353.253 3.563 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cccs2)c2ccc(F)cc2)CC1 ZINC000195105112 945273506 /nfs/dbraw/zinc/27/35/06/945273506.db2.gz QLHISGPALMVNSG-UHFFFAOYSA-N 1 0 356.466 3.766 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1Cl ZINC000584461515 939878611 /nfs/dbraw/zinc/87/86/11/939878611.db2.gz YWRHDSAJLVPQTE-MRXNPFEDSA-N 1 0 351.874 3.723 20 30 FHEDRO COCc1cccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000179562226 939888436 /nfs/dbraw/zinc/88/84/36/939888436.db2.gz DOYJIMIJPUTXJQ-UHFFFAOYSA-N 1 0 351.450 3.579 20 30 FHEDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000167040674 939911722 /nfs/dbraw/zinc/91/17/22/939911722.db2.gz SQSKFLDACOCIEY-KXBFYZLASA-N 1 0 350.422 3.931 20 30 FHEDRO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812621 939927780 /nfs/dbraw/zinc/92/77/80/939927780.db2.gz RIUPMCLWNYYDDR-KNBMTAEXSA-N 1 0 355.507 3.994 20 30 FHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)CCCCCC#N)CC1 ZINC000588981281 939951689 /nfs/dbraw/zinc/95/16/89/939951689.db2.gz YHEDPXXRIGISRZ-UHFFFAOYSA-N 1 0 356.514 3.877 20 30 FHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000413635418 939963202 /nfs/dbraw/zinc/96/32/02/939963202.db2.gz PEZZCEARYSUAOM-LEWJYISDSA-N 1 0 361.489 3.689 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612364611 940024760 /nfs/dbraw/zinc/02/47/60/940024760.db2.gz BTXDWRYMKKNYNY-GCJKJVERSA-N 1 0 369.509 3.706 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364958082 940029012 /nfs/dbraw/zinc/02/90/12/940029012.db2.gz NCOSWACGWAIVQN-XOBRGWDASA-N 1 0 374.469 3.938 20 30 FHEDRO CN(CCCn1ccnc1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000179868242 940039494 /nfs/dbraw/zinc/03/94/94/940039494.db2.gz GTSRDVIIZMJTBQ-UHFFFAOYSA-N 1 0 373.460 3.653 20 30 FHEDRO CN(C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000065897420 940040001 /nfs/dbraw/zinc/04/00/01/940040001.db2.gz GMVGBUBBFICURM-SFHVURJKSA-N 1 0 351.425 3.572 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)/C=C\c1ccccc1C#N ZINC000255865412 940057272 /nfs/dbraw/zinc/05/72/72/940057272.db2.gz ZFKSTWSVUVCBKN-SYGIOELKSA-N 1 0 359.473 3.694 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2cccc2)c1 ZINC000065931070 940078439 /nfs/dbraw/zinc/07/84/39/940078439.db2.gz JNXJRIJEMQZLCD-UHFFFAOYSA-N 1 0 372.472 3.553 20 30 FHEDRO CCc1ccc(CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930042 940078463 /nfs/dbraw/zinc/07/84/63/940078463.db2.gz BOQIRXVLSMOUDV-UHFFFAOYSA-N 1 0 363.505 3.644 20 30 FHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC000065937731 940086611 /nfs/dbraw/zinc/08/66/11/940086611.db2.gz UJRDDFOHRAJMKQ-UHFFFAOYSA-N 1 0 374.431 3.734 20 30 FHEDRO C[N@H+](CCn1cc(Br)cn1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000588986263 940118149 /nfs/dbraw/zinc/11/81/49/940118149.db2.gz PFQDNSPWZSSGOQ-UHFFFAOYSA-N 1 0 361.287 3.579 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]2c2ccccc2)c(OC)c1 ZINC000531140776 940172755 /nfs/dbraw/zinc/17/27/55/940172755.db2.gz IYIGQTMARIVHDG-WOJBJXKFSA-N 1 0 353.462 3.610 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(NC(C)=O)c2)ccc1OC ZINC000057963237 940197121 /nfs/dbraw/zinc/19/71/21/940197121.db2.gz UKAVLEDIPYVPSY-UHFFFAOYSA-N 1 0 354.450 3.898 20 30 FHEDRO CN(CC(=O)Nc1sccc1C#N)Cc1cc(Cl)cc(Cl)c1 ZINC000053116430 940259171 /nfs/dbraw/zinc/25/91/71/940259171.db2.gz CYKUCRWETCDJFH-UHFFFAOYSA-N 1 0 354.262 3.997 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1 ZINC000431690256 940302996 /nfs/dbraw/zinc/30/29/96/940302996.db2.gz FEPSAAYEEAZXSB-MSOLQXFVSA-N 1 0 355.438 3.522 20 30 FHEDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000519610095 945316737 /nfs/dbraw/zinc/31/67/37/945316737.db2.gz SHOMNZHWQMQLNM-DAXOMENPSA-N 1 0 353.388 3.636 20 30 FHEDRO COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)cc1OC ZINC000376162716 940399196 /nfs/dbraw/zinc/39/91/96/940399196.db2.gz NRPITLXEKCKPSW-MANSERQUSA-N 1 0 372.509 3.811 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccc(OCC#N)cc1 ZINC000376177811 940429238 /nfs/dbraw/zinc/42/92/38/940429238.db2.gz LGPRHRHEPZDAQO-MRXNPFEDSA-N 1 0 355.507 3.966 20 30 FHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000548986937 940436687 /nfs/dbraw/zinc/43/66/87/940436687.db2.gz UTAWWTLATSFKAS-RDTXWAMCSA-N 1 0 354.885 3.989 20 30 FHEDRO CCOc1cccc(C=Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1O ZINC000255882649 940453145 /nfs/dbraw/zinc/45/31/45/940453145.db2.gz UJEJBQAUNKIEKM-UHFFFAOYSA-N 1 0 353.466 3.683 20 30 FHEDRO N#Cc1csc(C[NH2+]CCc2c[nH]c3ccc(Br)cc23)n1 ZINC000580679762 940483552 /nfs/dbraw/zinc/48/35/52/940483552.db2.gz NTHOPINYUIHHTG-UHFFFAOYSA-N 1 0 361.268 3.591 20 30 FHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180112906 940483864 /nfs/dbraw/zinc/48/38/64/940483864.db2.gz WRJAHINQNJAAEX-QGZVFWFLSA-N 1 0 365.525 3.559 20 30 FHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180112925 940483891 /nfs/dbraw/zinc/48/38/91/940483891.db2.gz WRJAHINQNJAAEX-KRWDZBQOSA-N 1 0 365.525 3.559 20 30 FHEDRO CCN(CCCS(=O)(=O)c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000066422008 940485860 /nfs/dbraw/zinc/48/58/60/940485860.db2.gz KBKNEVYEQHTFBP-INIZCTEOSA-N 1 0 374.481 3.944 20 30 FHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C#N)ccc1Cl ZINC000511459244 940491667 /nfs/dbraw/zinc/49/16/67/940491667.db2.gz ISZVZZIPOMBLEN-UHFFFAOYSA-N 1 0 355.869 3.936 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC000581357518 940500287 /nfs/dbraw/zinc/50/02/87/940500287.db2.gz FCCSGZUXRSDPHH-JXFKEZNVSA-N 1 0 362.433 3.566 20 30 FHEDRO COc1cc(C#N)ccc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000613303443 940509501 /nfs/dbraw/zinc/50/95/01/940509501.db2.gz QMQHQMWOLQHUKB-SJLPKXTDSA-N 1 0 370.497 3.685 20 30 FHEDRO CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1SCC#N ZINC000173221751 940591240 /nfs/dbraw/zinc/59/12/40/940591240.db2.gz YATWAHPVLKRXAC-UHFFFAOYSA-N 1 0 353.491 3.805 20 30 FHEDRO Cn1cc(C[NH2+]CCCc2nc3ccccc3[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000180132319 940617376 /nfs/dbraw/zinc/61/73/76/940617376.db2.gz KVKXIYLKKAAQBH-UHFFFAOYSA-N 1 0 370.460 3.557 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)[C@H]1COc2ccccc21 ZINC000581842243 940626596 /nfs/dbraw/zinc/62/65/96/940626596.db2.gz ABCXYLOYPYBLMF-YVEFUNNKSA-N 1 0 357.251 3.975 20 30 FHEDRO Cc1ccnc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000582495325 940674753 /nfs/dbraw/zinc/67/47/53/940674753.db2.gz FBOGUVRSJQDXIY-INIZCTEOSA-N 1 0 368.868 3.733 20 30 FHEDRO Cn1cc(C[NH2+]Cc2nccc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000180143034 940683434 /nfs/dbraw/zinc/68/34/34/940683434.db2.gz GVCPMYMKIQDODZ-UHFFFAOYSA-N 1 0 353.429 3.797 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC1 ZINC000174067190 940699559 /nfs/dbraw/zinc/69/95/59/940699559.db2.gz NQWAXZKHYIAJRQ-UHFFFAOYSA-N 1 0 361.461 3.919 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000174098046 940706812 /nfs/dbraw/zinc/70/68/12/940706812.db2.gz UXQYGGGOBCJLFU-UHFFFAOYSA-N 1 0 366.387 3.739 20 30 FHEDRO COc1ccc([C@H](CO)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000414173483 940710051 /nfs/dbraw/zinc/71/00/51/940710051.db2.gz GHERVQVVMFRJJS-SIKLNZKXSA-N 1 0 350.462 3.700 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C(F)(F)F ZINC000892546499 940712876 /nfs/dbraw/zinc/71/28/76/940712876.db2.gz KCDKJNGJXWDRAC-OAGGEKHMSA-N 1 0 354.372 3.558 20 30 FHEDRO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000582592084 940744858 /nfs/dbraw/zinc/74/48/58/940744858.db2.gz BLGIJSFOXQIYOE-PWRODBHTSA-N 1 0 353.510 3.534 20 30 FHEDRO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000582592083 940746347 /nfs/dbraw/zinc/74/63/47/940746347.db2.gz BLGIJSFOXQIYOE-HBMCJLEFSA-N 1 0 353.510 3.534 20 30 FHEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccc(C#N)cc1 ZINC000170647109 940763684 /nfs/dbraw/zinc/76/36/84/940763684.db2.gz AXWSXXJUWLAHLV-UHFFFAOYSA-N 1 0 374.444 3.716 20 30 FHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000414207524 940769572 /nfs/dbraw/zinc/76/95/72/940769572.db2.gz HGOJEBBHPPNGAV-IBGZPJMESA-N 1 0 374.893 3.782 20 30 FHEDRO CC(C)(C#N)CCC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000174842795 940784999 /nfs/dbraw/zinc/78/49/99/940784999.db2.gz TUNDVFXABXAULS-UHFFFAOYSA-N 1 0 357.267 3.712 20 30 FHEDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180218296 940828670 /nfs/dbraw/zinc/82/86/70/940828670.db2.gz YRFXXJKCQFYKGU-NRFANRHFSA-N 1 0 371.488 3.717 20 30 FHEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc2ccccc2c1I ZINC001218203102 940829911 /nfs/dbraw/zinc/82/99/11/940829911.db2.gz BSKLUBXQLHFVCK-OAHLLOKOSA-N 1 0 365.214 3.741 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000053132769 940848736 /nfs/dbraw/zinc/84/87/36/940848736.db2.gz JXAQULMRPASTMF-UHFFFAOYSA-N 1 0 361.417 3.891 20 30 FHEDRO CC[NH+](CC)CCCC1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000782751668 940860038 /nfs/dbraw/zinc/86/00/38/940860038.db2.gz VHHIJJVTMCDBFX-UHFFFAOYSA-N 1 0 355.526 3.656 20 30 FHEDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000180251020 940876067 /nfs/dbraw/zinc/87/60/67/940876067.db2.gz ADIWRPRZCYBMHN-NQIIRXRSSA-N 1 0 352.482 3.594 20 30 FHEDRO Cn1cc(C[NH2+]CCc2cc(F)ccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000180275827 940909842 /nfs/dbraw/zinc/90/98/42/940909842.db2.gz HEMZIBSZYDFEJJ-UHFFFAOYSA-N 1 0 352.388 3.569 20 30 FHEDRO N#CCSc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000175994676 940969969 /nfs/dbraw/zinc/96/99/69/940969969.db2.gz BTSDPRASCWUORB-KRWDZBQOSA-N 1 0 371.531 3.931 20 30 FHEDRO N#CCSc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000175994693 940970160 /nfs/dbraw/zinc/97/01/60/940970160.db2.gz BTSDPRASCWUORB-QGZVFWFLSA-N 1 0 371.531 3.931 20 30 FHEDRO Cc1cc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)ccc1C#N ZINC000443970716 945364552 /nfs/dbraw/zinc/36/45/52/945364552.db2.gz SCVCAVNCOUFFNF-UHFFFAOYSA-N 1 0 352.825 3.902 20 30 FHEDRO Cn1cc(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180339205 940978187 /nfs/dbraw/zinc/97/81/87/940978187.db2.gz KOQAYHMOTLKNFA-QFIPXVFZSA-N 1 0 372.472 3.562 20 30 FHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176087977 940988483 /nfs/dbraw/zinc/98/84/83/940988483.db2.gz SPWJELZEHFCVBL-QGZVFWFLSA-N 1 0 366.440 3.683 20 30 FHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(C#N)s3)CCN2C2CC2)c1 ZINC000180375892 940992403 /nfs/dbraw/zinc/99/24/03/940992403.db2.gz KYFLZURSJZNAKN-UXHICEINSA-N 1 0 353.491 3.696 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000540973363 941010280 /nfs/dbraw/zinc/01/02/80/941010280.db2.gz ZXJOHLCNGMQBFL-UHFFFAOYSA-N 1 0 357.461 3.820 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCN(C(=O)C3CCCCC3)C2)c(O)c1 ZINC000255909353 941012246 /nfs/dbraw/zinc/01/22/46/941012246.db2.gz YZLXQNFXIICBIF-IQJJTXKVSA-N 1 0 371.525 3.839 20 30 FHEDRO Cn1cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c(-c2ccc(C#N)cc2)n1 ZINC000180448699 941018058 /nfs/dbraw/zinc/01/80/58/941018058.db2.gz ORPGXKZBTZIACC-IBGZPJMESA-N 1 0 362.408 3.711 20 30 FHEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000414350497 941028033 /nfs/dbraw/zinc/02/80/33/941028033.db2.gz LMMTVAVDJJBNGY-KBXCAEBGSA-N 1 0 362.315 3.695 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)CC1 ZINC000176453595 941044919 /nfs/dbraw/zinc/04/49/19/941044919.db2.gz LCBWQMFJQCLNIU-NRFANRHFSA-N 1 0 367.468 3.865 20 30 FHEDRO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1C(F)(F)F ZINC000414366931 941056705 /nfs/dbraw/zinc/05/67/05/941056705.db2.gz CZDMMVPBAYSUHO-UHFFFAOYSA-N 1 0 360.383 3.603 20 30 FHEDRO COc1ccc(CN(C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1C ZINC000177117026 941101412 /nfs/dbraw/zinc/10/14/12/941101412.db2.gz AIVMWGXJBSXNJX-UHFFFAOYSA-N 1 0 357.479 3.624 20 30 FHEDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181205520 941110828 /nfs/dbraw/zinc/11/08/28/941110828.db2.gz XJBBUHZGOCMGSK-OAHLLOKOSA-N 1 0 373.298 3.509 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181209496 941110951 /nfs/dbraw/zinc/11/09/51/941110951.db2.gz QLTYVKRFTPSUAB-RXVVDRJESA-N 1 0 363.461 3.644 20 30 FHEDRO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000181271724 941119313 /nfs/dbraw/zinc/11/93/13/941119313.db2.gz KZFGXWLUUGYFNO-OAHLLOKOSA-N 1 0 354.837 3.999 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000188881498 941127693 /nfs/dbraw/zinc/12/76/93/941127693.db2.gz YFXIMDGOGMLBPX-UHFFFAOYSA-N 1 0 365.521 3.749 20 30 FHEDRO CCC[N@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccc(C#N)cc1 ZINC000188962727 941134265 /nfs/dbraw/zinc/13/42/65/941134265.db2.gz AZEZWEIPDDNUTE-UHFFFAOYSA-N 1 0 361.489 3.745 20 30 FHEDRO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CC2(c3ccccc3)CC2)c(C#N)c1C ZINC000189298988 941155780 /nfs/dbraw/zinc/15/57/80/941155780.db2.gz JTNAKCVKDVZEHC-HNNXBMFYSA-N 1 0 351.450 3.759 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000584518011 941156568 /nfs/dbraw/zinc/15/65/68/941156568.db2.gz GQYSBZJKBMRCDQ-MRXNPFEDSA-N 1 0 352.463 3.583 20 30 FHEDRO Cc1cccc2c1OCC[C@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000189366359 941157750 /nfs/dbraw/zinc/15/77/50/941157750.db2.gz CVBJDFJETCOHMI-JOCHJYFZSA-N 1 0 361.489 3.945 20 30 FHEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000613566257 941222687 /nfs/dbraw/zinc/22/26/87/941222687.db2.gz BPFZVCHCDFKVFH-UHFFFAOYSA-N 1 0 351.494 3.856 20 30 FHEDRO C=CCN(CC)C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376588897 941259562 /nfs/dbraw/zinc/25/95/62/941259562.db2.gz OTKYJCNPZQLPNX-IBGZPJMESA-N 1 0 367.497 3.678 20 30 FHEDRO COCOc1cnc(N[C@@H](C)c2cccc(C#N)c2)cc1/C=C/[NH+](C)C ZINC001167710638 941266925 /nfs/dbraw/zinc/26/69/25/941266925.db2.gz UNNZNTVHGBJEHS-HVHJFMEUSA-N 1 0 352.438 3.641 20 30 FHEDRO CC[C@](C)(O)C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000189722597 941267575 /nfs/dbraw/zinc/26/75/75/941267575.db2.gz CUWPWCCOGSSAMP-QFIPXVFZSA-N 1 0 365.477 3.550 20 30 FHEDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(-n2cc(Cl)cn2)n1 ZINC000189898779 941297008 /nfs/dbraw/zinc/29/70/08/941297008.db2.gz PUYUBVTURZGWGO-AWEZNQCLSA-N 1 0 351.841 3.952 20 30 FHEDRO C[NH+](C)Cc1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)c(F)c1 ZINC000414503517 941373603 /nfs/dbraw/zinc/37/36/03/941373603.db2.gz WQLQMZBAUULBRY-UHFFFAOYSA-N 1 0 352.457 3.840 20 30 FHEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(C#N)o1)C(C)C ZINC000414540496 941376050 /nfs/dbraw/zinc/37/60/50/941376050.db2.gz BROUPKKIDCHDLM-HNNXBMFYSA-N 1 0 360.479 3.523 20 30 FHEDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000414556404 941378421 /nfs/dbraw/zinc/37/84/21/941378421.db2.gz KDKKMWYYZIJPKW-INIZCTEOSA-N 1 0 368.481 3.540 20 30 FHEDRO C=CCN(CC(=O)N[C@H](C)c1cc(OC)ccc1OC)Cc1ccccc1 ZINC000027776572 941382309 /nfs/dbraw/zinc/38/23/09/941382309.db2.gz PJDWBUOUNRARDA-QGZVFWFLSA-N 1 0 368.477 3.569 20 30 FHEDRO C[C@H](C[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000376738650 941399730 /nfs/dbraw/zinc/39/97/30/941399730.db2.gz FYKIGBUKBHQQBX-CYBMUJFWSA-N 1 0 363.387 3.609 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cccc(C#N)c1 ZINC000181526280 941431424 /nfs/dbraw/zinc/43/14/24/941431424.db2.gz UQZBTWCOAKVRBL-JKSUJKDBSA-N 1 0 363.461 3.627 20 30 FHEDRO C[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376928631 941468744 /nfs/dbraw/zinc/46/87/44/941468744.db2.gz CMVSDYLTVLNOKC-IEBWSBKVSA-N 1 0 356.514 3.526 20 30 FHEDRO CN(C(=O)NCC(C)(C)CCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000377045813 941503082 /nfs/dbraw/zinc/50/30/82/941503082.db2.gz UYOYSOAKFOCPQC-IBGZPJMESA-N 1 0 356.514 3.622 20 30 FHEDRO N#CCOc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000728687563 941537280 /nfs/dbraw/zinc/53/72/80/941537280.db2.gz JQOULZKMDJPUMJ-GOSISDBHSA-N 1 0 370.497 3.709 20 30 FHEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415006664 941538063 /nfs/dbraw/zinc/53/80/63/941538063.db2.gz KUUGCSCNSAPXMO-LSDHHAIUSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H]1C[NH3+] ZINC000415006180 941541769 /nfs/dbraw/zinc/54/17/69/941541769.db2.gz KBTFVWIAMYCTKD-HNAYVOBHSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H](NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000472680300 941553883 /nfs/dbraw/zinc/55/38/83/941553883.db2.gz YPUXRMFACDQOAY-QZTJIDSGSA-N 1 0 364.493 3.829 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC000415029771 941553954 /nfs/dbraw/zinc/55/39/54/941553954.db2.gz BMZYIKKMPCZSSF-NRFANRHFSA-N 1 0 362.433 3.568 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2)cc1 ZINC000415040928 941560632 /nfs/dbraw/zinc/56/06/32/941560632.db2.gz OTLNSLJWWIQILD-DOTOQJQBSA-N 1 0 350.422 3.599 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[C@H]1[NH3+] ZINC000415049993 941566477 /nfs/dbraw/zinc/56/64/77/941566477.db2.gz YMLTZSDPRVUPRO-IFXJQAMLSA-N 1 0 350.422 3.552 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415060261 941571761 /nfs/dbraw/zinc/57/17/61/941571761.db2.gz JYKAODJLDFRUQK-RDJZCZTQSA-N 1 0 364.449 3.860 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415054114 941572524 /nfs/dbraw/zinc/57/25/24/941572524.db2.gz FEBUCIQEJTWIFN-KRWDZBQOSA-N 1 0 374.391 3.763 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000377253168 941598060 /nfs/dbraw/zinc/59/80/60/941598060.db2.gz STGORQMAKODSGH-FQEVSTJZSA-N 1 0 364.493 3.712 20 30 FHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000415128963 941622898 /nfs/dbraw/zinc/62/28/98/941622898.db2.gz SXADWYVPZWQAOE-UHFFFAOYSA-N 1 0 366.412 3.533 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)c2)cc1 ZINC000415148858 941629760 /nfs/dbraw/zinc/62/97/60/941629760.db2.gz MSYQJRZWNZALFQ-WBVHZDCISA-N 1 0 350.422 3.599 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC000415143692 941631801 /nfs/dbraw/zinc/63/18/01/941631801.db2.gz BGWLEYOAVIVBBL-OXQOHEQNSA-N 1 0 364.449 3.990 20 30 FHEDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415145520 941631823 /nfs/dbraw/zinc/63/18/23/941631823.db2.gz DPTQWGAXYJFEGV-KRWDZBQOSA-N 1 0 352.438 3.990 20 30 FHEDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000415153243 941635618 /nfs/dbraw/zinc/63/56/18/941635618.db2.gz WUBGUMUMCQXIKM-OAHLLOKOSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C[NH2+]1 ZINC000415154521 941636532 /nfs/dbraw/zinc/63/65/32/941636532.db2.gz YBIWQVLXAZVKLS-HUUCEWRRSA-N 1 0 350.422 3.565 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2)c1 ZINC000415155081 941637482 /nfs/dbraw/zinc/63/74/82/941637482.db2.gz FDGNMGHCIPJJMK-WBVHZDCISA-N 1 0 350.422 3.599 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000415150968 941639449 /nfs/dbraw/zinc/63/94/49/941639449.db2.gz RQWJASLJQZKSFW-DLBZAZTESA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415151657 941639766 /nfs/dbraw/zinc/63/97/66/941639766.db2.gz APOYFGMFSHNXHE-RHSMWYFYSA-N 1 0 360.527 3.967 20 30 FHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cnc(-c2ccccn2)s1 ZINC000565742858 941645333 /nfs/dbraw/zinc/64/53/33/941645333.db2.gz FFYFTIKLRXZSDF-UHFFFAOYSA-N 1 0 364.474 3.725 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415164953 941647628 /nfs/dbraw/zinc/64/76/28/941647628.db2.gz QIKDOCMLIPEYTQ-QKPAOTATSA-N 1 0 358.511 3.529 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H](C[NH3+])C1 ZINC000415166190 941648130 /nfs/dbraw/zinc/64/81/30/941648130.db2.gz RCFRALYDBVNFDX-YJBOKZPZSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@]1(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCC[NH2+]C1 ZINC000415167050 941648450 /nfs/dbraw/zinc/64/84/50/941648450.db2.gz SBDOUTCFUSMGGV-OAQYLSRUSA-N 1 0 364.449 3.862 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415171979 941648964 /nfs/dbraw/zinc/64/89/64/941648964.db2.gz YMBXASCRWMASMK-INIZCTEOSA-N 1 0 368.506 3.931 20 30 FHEDRO CS[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000415173586 941649303 /nfs/dbraw/zinc/64/93/03/941649303.db2.gz RRSSMQFMLKXEQA-FQEVSTJZSA-N 1 0 367.518 3.553 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCCC[NH2+]C3CC3)cc2)c1 ZINC000415171214 941652450 /nfs/dbraw/zinc/65/24/50/941652450.db2.gz XMIDUYUFAFRMPI-UHFFFAOYSA-N 1 0 350.422 3.614 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@@H]1C(F)(F)F ZINC000892911966 941672387 /nfs/dbraw/zinc/67/23/87/941672387.db2.gz OOGNLDKRZUUNHP-ZNMIVQPWSA-N 1 0 372.362 3.697 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000415239996 941694915 /nfs/dbraw/zinc/69/49/15/941694915.db2.gz PIFPMCFOBRKWNB-KGLIPLIRSA-N 1 0 368.412 3.704 20 30 FHEDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000415240840 941695961 /nfs/dbraw/zinc/69/59/61/941695961.db2.gz RBXICICWLJTKQH-AWEZNQCLSA-N 1 0 368.412 3.563 20 30 FHEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415245208 941699151 /nfs/dbraw/zinc/69/91/51/941699151.db2.gz ZMRCISBEROXIIN-HXUWFJFHSA-N 1 0 370.428 3.985 20 30 FHEDRO C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549248664 941743604 /nfs/dbraw/zinc/74/36/04/941743604.db2.gz VBJOUSCOBHUCHM-QGZVFWFLSA-N 1 0 371.554 3.956 20 30 FHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1c(Cl)cccc1C#N ZINC000431843450 941775978 /nfs/dbraw/zinc/77/59/78/941775978.db2.gz KFQACISWBVYZOQ-UHFFFAOYSA-N 1 0 374.960 3.844 20 30 FHEDRO C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000549261230 941783138 /nfs/dbraw/zinc/78/31/38/941783138.db2.gz OBCFWTPQBJUNMP-UHFFFAOYSA-N 1 0 373.504 3.959 20 30 FHEDRO CC1CCC(OC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)CC1 ZINC000377590388 941831048 /nfs/dbraw/zinc/83/10/48/941831048.db2.gz JEOKOWFRKSWMRW-UHFFFAOYSA-N 1 0 369.509 3.947 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415532678 941883001 /nfs/dbraw/zinc/88/30/01/941883001.db2.gz GWODZXBEWQTTBY-CVEARBPZSA-N 1 0 364.449 3.942 20 30 FHEDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000377667801 941884120 /nfs/dbraw/zinc/88/41/20/941884120.db2.gz BESWWWNFEXNMGB-FQEVSTJZSA-N 1 0 369.465 3.765 20 30 FHEDRO N#Cc1cc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Oc1ccccc1 ZINC000415539254 941886725 /nfs/dbraw/zinc/88/67/25/941886725.db2.gz UWGDFVQFQDITIR-NVXWUHKLSA-N 1 0 364.449 3.990 20 30 FHEDRO N#Cc1cc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1Oc1ccccc1 ZINC000415536946 941889142 /nfs/dbraw/zinc/88/91/42/941889142.db2.gz ODZPKSHWBFKZDK-CVEARBPZSA-N 1 0 350.422 3.742 20 30 FHEDRO N#Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1Oc1ccccc1 ZINC000415536101 941889634 /nfs/dbraw/zinc/88/96/34/941889634.db2.gz MPELELXZYNTFPW-GDBMZVCRSA-N 1 0 350.422 3.599 20 30 FHEDRO CCCCCCCC[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N(C)CCOC)C1 ZINC001279870358 941959314 /nfs/dbraw/zinc/95/93/14/941959314.db2.gz CTCKEKAAYJBXKM-TZIWHRDSSA-N 1 0 352.563 3.944 20 30 FHEDRO C=CC[NH+](CC=C)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000513520636 941980302 /nfs/dbraw/zinc/98/03/02/941980302.db2.gz PKKBULGBRCJXMS-CYBMUJFWSA-N 1 0 360.679 3.516 20 30 FHEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2cnc(C#N)c(Cl)c2)cc1 ZINC000415789465 942049923 /nfs/dbraw/zinc/04/99/23/942049923.db2.gz RCPIFPCFVAUNNT-MRXNPFEDSA-N 1 0 357.845 3.552 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1CNc1ncc(C#N)cc1Cl ZINC000513652171 942056662 /nfs/dbraw/zinc/05/66/62/942056662.db2.gz JOYIIWRNEAYBOA-UHFFFAOYSA-N 1 0 358.873 3.939 20 30 FHEDRO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415808149 942057885 /nfs/dbraw/zinc/05/78/85/942057885.db2.gz QZDDBRGOYCOFKT-CQSZACIVSA-N 1 0 354.479 3.829 20 30 FHEDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415800945 942058496 /nfs/dbraw/zinc/05/84/96/942058496.db2.gz FOSWRNRWFXOXQJ-CQSZACIVSA-N 1 0 354.479 3.686 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC[C@H]1[NH3+] ZINC000415804379 942061270 /nfs/dbraw/zinc/06/12/70/942061270.db2.gz KQCNRIJAKBPKLX-KBXCAEBGSA-N 1 0 366.490 3.910 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000414304438 942072144 /nfs/dbraw/zinc/07/21/44/942072144.db2.gz OTIDTIYQZUQSDC-OXJNMPFZSA-N 1 0 358.507 3.896 20 30 FHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000279995825 942087404 /nfs/dbraw/zinc/08/74/04/942087404.db2.gz JBWPNWHQEYSPTL-OAQYLSRUSA-N 1 0 372.472 3.518 20 30 FHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cccc(C#N)c2)CC1 ZINC000280141703 942114073 /nfs/dbraw/zinc/11/40/73/942114073.db2.gz VWWKFRFLKXITAK-UHFFFAOYSA-N 1 0 362.477 3.589 20 30 FHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2C)c1C#N ZINC000501927941 942117338 /nfs/dbraw/zinc/11/73/38/942117338.db2.gz IUYJIAOXPRWATH-QRWLVFNGSA-N 1 0 364.493 3.742 20 30 FHEDRO C[N@@H+]1CC[C@@H](CNc2ccc(C#N)cc2Br)[C@@H]1c1cccnc1 ZINC000377984453 942124329 /nfs/dbraw/zinc/12/43/29/942124329.db2.gz LBMLXBZBEMSRSL-YJBOKZPZSA-N 1 0 371.282 3.821 20 30 FHEDRO COc1cccc([C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[NH+](C)C)c1 ZINC000280269020 942146596 /nfs/dbraw/zinc/14/65/96/942146596.db2.gz NCEGOPCBYFLCCU-FQEVSTJZSA-N 1 0 365.477 3.529 20 30 FHEDRO CCCc1ccc(C(=O)C(C(=S)NCCSC)[n+]2ccccc2)cc1 ZINC000280604736 942213980 /nfs/dbraw/zinc/21/39/80/942213980.db2.gz PVOHXUNLFJXUBI-UHFFFAOYSA-O 1 0 373.567 3.818 20 30 FHEDRO COc1ccc(C#N)cc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183191078 942220071 /nfs/dbraw/zinc/22/00/71/942220071.db2.gz OUGAGYAHQKPBNJ-UHFFFAOYSA-N 1 0 364.371 3.619 20 30 FHEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000502129135 942236142 /nfs/dbraw/zinc/23/61/42/942236142.db2.gz XGVVOJZHPAQNML-MRXNPFEDSA-N 1 0 351.475 3.533 20 30 FHEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)COCc1ccccc1 ZINC000513703338 942244604 /nfs/dbraw/zinc/24/46/04/942244604.db2.gz UCPXRQBYZLIZCN-LJQANCHMSA-N 1 0 363.505 3.970 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C#N)s2)CC1 ZINC000420922123 942255009 /nfs/dbraw/zinc/25/50/09/942255009.db2.gz VPOKCCXCHRBLLS-OAHLLOKOSA-N 1 0 368.506 3.645 20 30 FHEDRO N#Cc1cccc(NC(=O)C2CCN(Cc3nc4ccccc4o3)CC2)c1 ZINC000502188313 942276597 /nfs/dbraw/zinc/27/65/97/942276597.db2.gz RYWOLMIBEQILNY-UHFFFAOYSA-N 1 0 360.417 3.550 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000501129864 942314693 /nfs/dbraw/zinc/31/46/93/942314693.db2.gz IGXKOZJJLLSPAO-OAQYLSRUSA-N 1 0 368.521 3.866 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(Cc2cscn2)CC1)c1ccc(C#N)cc1Cl ZINC000378183835 942363269 /nfs/dbraw/zinc/36/32/69/942363269.db2.gz PQIRAKLSPFLVEW-CYBMUJFWSA-N 1 0 360.914 3.983 20 30 FHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416143596 942388844 /nfs/dbraw/zinc/38/88/44/942388844.db2.gz KLOHYAMPZWEVCY-HXUWFJFHSA-N 1 0 367.449 3.802 20 30 FHEDRO CC(C)(CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000502382962 942393034 /nfs/dbraw/zinc/39/30/34/942393034.db2.gz OLSPYBBJXQMMRN-UHFFFAOYSA-N 1 0 366.509 3.621 20 30 FHEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000414819524 942397632 /nfs/dbraw/zinc/39/76/32/942397632.db2.gz AJTHLRLSOIFODT-IBGZPJMESA-N 1 0 350.466 3.872 20 30 FHEDRO C[C@@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)[NH+]1CCCCCC1 ZINC000505337314 942476808 /nfs/dbraw/zinc/47/68/08/942476808.db2.gz GWKPSYBDMBFULX-SWLSCSKDSA-N 1 0 354.281 3.939 20 30 FHEDRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421326689 942483904 /nfs/dbraw/zinc/48/39/04/942483904.db2.gz OMHNCBQLYIRNNP-MRXNPFEDSA-N 1 0 359.832 3.728 20 30 FHEDRO CC[C@H]1C[C@@]1([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C)c1 ZINC000502520632 942496397 /nfs/dbraw/zinc/49/63/97/942496397.db2.gz IXXLMIKKYJJJEA-RXVVDRJESA-N 1 0 368.502 3.555 20 30 FHEDRO C[C@@H](NC(=O)CN1CC=C(c2ccc(C#N)cc2)CC1)c1cccs1 ZINC000502527252 942500357 /nfs/dbraw/zinc/50/03/57/942500357.db2.gz FUQGDEIAZGVPMN-OAHLLOKOSA-N 1 0 351.475 3.586 20 30 FHEDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000421367951 942519951 /nfs/dbraw/zinc/51/99/51/942519951.db2.gz XDKJWBJWUAGZIM-UTKZUKDTSA-N 1 0 350.462 3.588 20 30 FHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc(Cl)ccc1CC#N ZINC001167945503 942525849 /nfs/dbraw/zinc/52/58/49/942525849.db2.gz JBLUDFSEDWKNIY-HNNXBMFYSA-N 1 0 351.878 3.657 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000501533806 942535129 /nfs/dbraw/zinc/53/51/29/942535129.db2.gz JSWTXJCEMKHUIZ-MSOLQXFVSA-N 1 0 356.514 3.600 20 30 FHEDRO CCCCCCCCCC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000378309772 942566532 /nfs/dbraw/zinc/56/65/32/942566532.db2.gz BRMXIUCUJZNEPZ-VQTJNVASSA-N 1 0 351.579 3.612 20 30 FHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458809003 942589225 /nfs/dbraw/zinc/58/92/25/942589225.db2.gz ZRDDRZLGIQWEIQ-XUVXKRRUSA-N 1 0 354.498 3.547 20 30 FHEDRO COc1ccc(C#N)cc1C[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000513750662 942608532 /nfs/dbraw/zinc/60/85/32/942608532.db2.gz MJOLEMQXLWSFPW-AZUAARDMSA-N 1 0 358.388 3.935 20 30 FHEDRO C=CCOc1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000501824840 942693288 /nfs/dbraw/zinc/69/32/88/942693288.db2.gz IEZRRPDLLOJKLS-MJGOQNOKSA-N 1 0 371.525 3.704 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCCOc2ccccc21)C(C)C ZINC000514075948 942721281 /nfs/dbraw/zinc/72/12/81/942721281.db2.gz OUFGLDLHLUVQNU-UXHICEINSA-N 1 0 371.525 3.898 20 30 FHEDRO CC(C)(C)OC(=O)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000514081643 942732796 /nfs/dbraw/zinc/73/27/96/942732796.db2.gz CUYNKQVHURLGCO-UHFFFAOYSA-N 1 0 358.482 3.923 20 30 FHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cccc(CC#N)c3)sc2C1 ZINC000425091257 942746869 /nfs/dbraw/zinc/74/68/69/942746869.db2.gz YJWKIMDCNZPXID-UHFFFAOYSA-N 1 0 354.479 3.618 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@@H](c2cccs2)N2CCCC2)O1 ZINC000378447419 942778618 /nfs/dbraw/zinc/77/86/18/942778618.db2.gz AKAXSNDTDRTLLU-IEWDOMPSSA-N 1 0 359.539 3.714 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)O1 ZINC000378453930 942786966 /nfs/dbraw/zinc/78/69/66/942786966.db2.gz OQWGAEYHGMPSNG-NCXUSEDFSA-N 1 0 362.395 3.886 20 30 FHEDRO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000513758529 942799415 /nfs/dbraw/zinc/79/94/15/942799415.db2.gz DDVMVHJPSHFVEN-FQEVSTJZSA-N 1 0 355.869 3.815 20 30 FHEDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000514238467 942852939 /nfs/dbraw/zinc/85/29/39/942852939.db2.gz SGPVCDGCEYIDLE-KRWDZBQOSA-N 1 0 365.477 3.597 20 30 FHEDRO C[C@H](C(=O)NCc1ccc(C#N)s1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000421916897 942880299 /nfs/dbraw/zinc/88/02/99/942880299.db2.gz LURKXEJMMSJGBA-MRXNPFEDSA-N 1 0 367.518 3.579 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(C#N)c1 ZINC000378549990 942881122 /nfs/dbraw/zinc/88/11/22/942881122.db2.gz LOIGGPVJRDGZPJ-LIRRHRJNSA-N 1 0 361.424 3.621 20 30 FHEDRO CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000312200658 942903510 /nfs/dbraw/zinc/90/35/10/942903510.db2.gz FCUGUPTUTCYXHU-OALUTQOASA-N 1 0 373.497 3.905 20 30 FHEDRO C[N@@H+]1CC[C@]2(CCN(Cc3cccc(OCc4ccccc4C#N)c3)C2)C1 ZINC000430120152 942917264 /nfs/dbraw/zinc/91/72/64/942917264.db2.gz LPHVFRTWIPQHRU-QHCPKHFHSA-N 1 0 361.489 3.665 20 30 FHEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1cccnc1 ZINC000414561501 942921109 /nfs/dbraw/zinc/92/11/09/942921109.db2.gz SICQWOREMYSGKM-UHFFFAOYSA-N 1 0 359.477 3.926 20 30 FHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000378594777 942929733 /nfs/dbraw/zinc/92/97/33/942929733.db2.gz NZLPXDWXDORXEO-INIZCTEOSA-N 1 0 364.449 3.536 20 30 FHEDRO CCCC[C@H](ON=C(C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000273458330 942961875 /nfs/dbraw/zinc/96/18/75/942961875.db2.gz MIJVWFGMESPQKR-XLIONFOSSA-N 1 0 374.529 3.694 20 30 FHEDRO CCCC[C@@H](ON=C(C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000273458325 942962229 /nfs/dbraw/zinc/96/22/29/942962229.db2.gz MIJVWFGMESPQKR-FXAWDEMLSA-N 1 0 374.529 3.694 20 30 FHEDRO C#CCN(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000728753944 942970966 /nfs/dbraw/zinc/97/09/66/942970966.db2.gz DJJSDTKXODXZMR-OAQYLSRUSA-N 1 0 367.537 3.529 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1OCCCC#N ZINC000378629076 942972378 /nfs/dbraw/zinc/97/23/78/942972378.db2.gz DCWJKHCBYSMYHK-HXUWFJFHSA-N 1 0 365.477 3.837 20 30 FHEDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CCOC2(CCC2)C1 ZINC000330218868 943018456 /nfs/dbraw/zinc/01/84/56/943018456.db2.gz JSWOKUCBJYRHHS-GOSISDBHSA-N 1 0 363.546 3.781 20 30 FHEDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000434868851 943019229 /nfs/dbraw/zinc/01/92/29/943019229.db2.gz KYKLJRPSYMGFRS-KBXCAEBGSA-N 1 0 369.490 3.863 20 30 FHEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(OCC#N)cc3)ccc2NC1=O ZINC000271702653 943037862 /nfs/dbraw/zinc/03/78/62/943037862.db2.gz HVGICGBVNQKULK-AUUYWEPGSA-N 1 0 365.433 3.549 20 30 FHEDRO COCC[N@H+](C)CC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000505576162 943055030 /nfs/dbraw/zinc/05/50/30/943055030.db2.gz GYFWANVTQXRFPV-GOSISDBHSA-N 1 0 368.437 3.588 20 30 FHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271964658 943075558 /nfs/dbraw/zinc/07/55/58/943075558.db2.gz SINICYYCEYTHLV-RBBKRZOGSA-N 1 0 371.484 3.998 20 30 FHEDRO COc1cc2[nH+]ccc(N3CCC(F)(C#N)CC3)c2cc1Br ZINC000425256914 943078993 /nfs/dbraw/zinc/07/89/93/943078993.db2.gz SGNCHTDZXRFTKP-UHFFFAOYSA-N 1 0 364.218 3.838 20 30 FHEDRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C1(CC)CC ZINC000434984706 943086247 /nfs/dbraw/zinc/08/62/47/943086247.db2.gz BRTXDGWFCDKKBK-HOTGVXAUSA-N 1 0 363.527 3.864 20 30 FHEDRO N#Cc1cccc(OCCC[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)c1 ZINC000503269795 943093297 /nfs/dbraw/zinc/09/32/97/943093297.db2.gz QHJHDJKKWBDWBG-QFIPXVFZSA-N 1 0 373.456 3.520 20 30 FHEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000435042835 943109756 /nfs/dbraw/zinc/10/97/56/943109756.db2.gz WXZBMPIOBXODDB-HHXXYDBFSA-N 1 0 365.502 3.678 20 30 FHEDRO C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000505596232 943133762 /nfs/dbraw/zinc/13/37/62/943133762.db2.gz KZUCBGMQDXTSET-FOIQADDNSA-N 1 0 367.468 3.783 20 30 FHEDRO COc1cc2[nH+]ccc(N[C@H]3CC[C@@H](CC#N)C3)c2cc1Br ZINC000425274472 943144522 /nfs/dbraw/zinc/14/45/22/943144522.db2.gz ZWXWAXYMARGISO-RYUDHWBXSA-N 1 0 360.255 3.922 20 30 FHEDRO C=CCC[C@@H](NC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000435094600 943160159 /nfs/dbraw/zinc/16/01/59/943160159.db2.gz CVVUIBTWXVPIMX-HXUWFJFHSA-N 1 0 373.541 3.883 20 30 FHEDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435132546 943185514 /nfs/dbraw/zinc/18/55/14/943185514.db2.gz KBYULEJUEACJJV-MOPGFXCFSA-N 1 0 369.538 3.965 20 30 FHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(C)(C#N)CC3)c2)CC1 ZINC000272609663 943185786 /nfs/dbraw/zinc/18/57/86/943185786.db2.gz UKAUPTOKJIZNKN-UHFFFAOYSA-N 1 0 368.525 3.754 20 30 FHEDRO CSc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000503557472 943258854 /nfs/dbraw/zinc/25/88/54/943258854.db2.gz JYTSSUXQEGHPLE-KUHUBIRLSA-N 1 0 351.475 3.736 20 30 FHEDRO C=CCn1c(SCC[NH+]2C[C@@H](C)C[C@H](C)C2)nnc1-c1cccnc1 ZINC000514734869 943261485 /nfs/dbraw/zinc/26/14/85/943261485.db2.gz PCFQCZQTPNEIRN-HOTGVXAUSA-N 1 0 357.527 3.596 20 30 FHEDRO C[NH+](C)CCN(C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CC1 ZINC000505664665 943338304 /nfs/dbraw/zinc/33/83/04/943338304.db2.gz SSKDJIJSOKYEOM-UHFFFAOYSA-N 1 0 363.461 3.711 20 30 FHEDRO C[C@](CO)([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000511606571 943367460 /nfs/dbraw/zinc/36/74/60/943367460.db2.gz WHYRCLNSYMBYPC-GOSISDBHSA-N 1 0 359.267 3.512 20 30 FHEDRO Cc1noc(C)c1C(=O)C(C(=S)Nc1cccc(C)c1)[n+]1ccccc1 ZINC000186954770 943398159 /nfs/dbraw/zinc/39/81/59/943398159.db2.gz KTRBGONYLQESJX-UHFFFAOYSA-O 1 0 366.466 3.938 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000503921458 943409412 /nfs/dbraw/zinc/40/94/12/943409412.db2.gz VQWNUNLCRUXJQC-BDAKNGLRSA-N 1 0 374.300 3.849 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc4ccccc4c3)C2=O)cc1 ZINC000503921521 943409508 /nfs/dbraw/zinc/40/95/08/943409508.db2.gz QZMXRUZDAGXBHH-QFIPXVFZSA-N 1 0 355.441 3.997 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000503948667 943419739 /nfs/dbraw/zinc/41/97/39/943419739.db2.gz CJEYWTILIRXUDF-IRXDYDNUSA-N 1 0 373.566 3.664 20 30 FHEDRO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000503974008 943447133 /nfs/dbraw/zinc/44/71/33/943447133.db2.gz TVEVJVQXWKWTGL-QHCPKHFHSA-N 1 0 371.484 3.839 20 30 FHEDRO C=CC[C@H](C)NC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435538557 943474605 /nfs/dbraw/zinc/47/46/05/943474605.db2.gz WVFBAUALHCOENL-QFBILLFUSA-N 1 0 367.497 3.725 20 30 FHEDRO CC[NH+]1CCC(N(C)C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000435575207 943495349 /nfs/dbraw/zinc/49/53/49/943495349.db2.gz CFFKVUMSMIHMCQ-UHFFFAOYSA-N 1 0 352.482 3.501 20 30 FHEDRO C=CCOC(=O)[C@@H](Nc1cccc2c1C1(C=C2)CC[NH2+]CC1)[C@@H](C)CC ZINC001167959644 943552374 /nfs/dbraw/zinc/55/23/74/943552374.db2.gz KMOBTPNNKDMRNW-JXFKEZNVSA-N 1 0 354.494 3.890 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000509976867 943568876 /nfs/dbraw/zinc/56/88/76/943568876.db2.gz JCUDTVJKRINORJ-LPHOPBHVSA-N 1 0 353.491 3.741 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000509976869 943568900 /nfs/dbraw/zinc/56/89/00/943568900.db2.gz JCUDTVJKRINORJ-VQIMIIECSA-N 1 0 353.491 3.741 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000435752433 943585926 /nfs/dbraw/zinc/58/59/26/943585926.db2.gz XXUXQBMNJQRSME-YVEFUNNKSA-N 1 0 370.287 3.537 20 30 FHEDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435752739 943586084 /nfs/dbraw/zinc/58/60/84/943586084.db2.gz LTGJOJSLWJYERZ-UHFFFAOYSA-N 1 0 354.498 3.605 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000435745554 943594867 /nfs/dbraw/zinc/59/48/67/943594867.db2.gz NTFNIUZMMAGEQB-UGKGYDQZSA-N 1 0 369.509 3.628 20 30 FHEDRO C[C@@H]1CC(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000504534823 943650863 /nfs/dbraw/zinc/65/08/63/943650863.db2.gz UXZHDVAKNRVJQB-ROUUACIJSA-N 1 0 353.510 3.733 20 30 FHEDRO Cc1cc(CNC(=O)[C@H]([NH3+])CCCC#N)ccc1Oc1ccc(F)cc1 ZINC000424117394 943740303 /nfs/dbraw/zinc/74/03/03/943740303.db2.gz ZDJUMTQIQSZBNP-GOSISDBHSA-N 1 0 355.413 3.564 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000424122084 943743050 /nfs/dbraw/zinc/74/30/50/943743050.db2.gz IWYXYODZSKIMPI-GFCCVEGCSA-N 1 0 368.384 3.789 20 30 FHEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424149915 943753121 /nfs/dbraw/zinc/75/31/21/943753121.db2.gz XVMMNMQGXZPHIN-GOEBONIOSA-N 1 0 356.495 3.659 20 30 FHEDRO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1=O ZINC000516860876 943775089 /nfs/dbraw/zinc/77/50/89/943775089.db2.gz WQUYJOVOZTUGHN-VLIAUNLRSA-N 1 0 369.415 3.678 20 30 FHEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000424189463 943777632 /nfs/dbraw/zinc/77/76/32/943777632.db2.gz DQQUOYGWIDCBKD-GXSJLCMTSA-N 1 0 358.077 3.993 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)CC2)cc1 ZINC000473559278 943777726 /nfs/dbraw/zinc/77/77/26/943777726.db2.gz FHLUWPUJEGIJOZ-OAQYLSRUSA-N 1 0 365.521 3.751 20 30 FHEDRO COc1cc(CN(C)Cc2ccc(C#N)cc2OC(F)F)cc(OC)c1 ZINC000437402165 943778776 /nfs/dbraw/zinc/77/87/76/943778776.db2.gz FNHRCHQJHKEEIE-UHFFFAOYSA-N 1 0 362.376 3.809 20 30 FHEDRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424193785 943781123 /nfs/dbraw/zinc/78/11/23/943781123.db2.gz KVCIIOLYLDVCTC-XJKSGUPXSA-N 1 0 359.271 3.725 20 30 FHEDRO CC(C)N1CC[C@@H](Nc2cc(C#N)ncn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000515298307 943782974 /nfs/dbraw/zinc/78/29/74/943782974.db2.gz JAEQHOZOUSUSRU-SJLPKXTDSA-N 1 0 359.836 3.777 20 30 FHEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000424202554 943785612 /nfs/dbraw/zinc/78/56/12/943785612.db2.gz PXPMSBMVVUTCFQ-TVQRCGJNSA-N 1 0 358.077 3.993 20 30 FHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(F)cc3C#N)CCN2C2CC2)c1 ZINC000549476710 943813070 /nfs/dbraw/zinc/81/30/70/943813070.db2.gz GYKTWGISLBSKJZ-YADHBBJMSA-N 1 0 365.452 3.774 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000435883038 943815434 /nfs/dbraw/zinc/81/54/34/943815434.db2.gz IIBSSBQSHDPNBO-KBPBESRZSA-N 1 0 351.288 3.689 20 30 FHEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000424290961 943822149 /nfs/dbraw/zinc/82/21/49/943822149.db2.gz CWRBVIFBRBEIFJ-IAGOWNOFSA-N 1 0 350.388 3.909 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000516913294 943822682 /nfs/dbraw/zinc/82/26/82/943822682.db2.gz FCPLXOZMOPBSEA-ZCNNSNEGSA-N 1 0 367.880 3.734 20 30 FHEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(I)c2)C1 ZINC000424295687 943824289 /nfs/dbraw/zinc/82/42/89/943824289.db2.gz QBPTWPDDFJTCLA-ZANVPECISA-N 1 0 360.626 3.726 20 30 FHEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000424295890 943825431 /nfs/dbraw/zinc/82/54/31/943825431.db2.gz NRDINLTUQPLGME-SJORKVTESA-N 1 0 350.388 3.909 20 30 FHEDRO C=CCOc1ccc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000437469101 943841218 /nfs/dbraw/zinc/84/12/18/943841218.db2.gz GHXLVQSYJMZPSL-LJQANCHMSA-N 1 0 364.489 3.988 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000366671064 943858715 /nfs/dbraw/zinc/85/87/15/943858715.db2.gz UMWGRZMCMWOWHN-APWZRJJASA-N 1 0 362.901 3.515 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)c1 ZINC000424423632 943899963 /nfs/dbraw/zinc/89/99/63/943899963.db2.gz VEMZOPHBSCXBHB-RTBURBONSA-N 1 0 350.422 3.742 20 30 FHEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(C#N)ccn2)c1 ZINC000435989745 943916152 /nfs/dbraw/zinc/91/61/52/943916152.db2.gz AFWDCRPPKGWIEI-UHFFFAOYSA-N 1 0 356.429 3.838 20 30 FHEDRO C[C@@H](c1ccsc1)[NH+]1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000515498811 943927458 /nfs/dbraw/zinc/92/74/58/943927458.db2.gz IVCAABZANKWLJW-INIZCTEOSA-N 1 0 363.490 3.689 20 30 FHEDRO CCN(CC(=O)N1CCCCCC1)Cc1cccc(OCCCC#N)c1 ZINC000517057269 943941071 /nfs/dbraw/zinc/94/10/71/943941071.db2.gz MPJNTGJHJHWTBB-UHFFFAOYSA-N 1 0 357.498 3.594 20 30 FHEDRO CCCCCCCCCC(=O)N1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001270238473 943950692 /nfs/dbraw/zinc/95/06/92/943950692.db2.gz XLOQWBGQUHDXCE-UHFFFAOYSA-N 1 0 360.546 3.558 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000437615810 943972423 /nfs/dbraw/zinc/97/24/23/943972423.db2.gz JOMGUPMIRVOODL-PGRDOPGGSA-N 1 0 358.526 3.906 20 30 FHEDRO C=CCCc1ccccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000505045462 943981222 /nfs/dbraw/zinc/98/12/22/943981222.db2.gz IRZXSDZKNKKQAJ-UHFFFAOYSA-N 1 0 357.498 3.572 20 30 FHEDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000517074785 943982348 /nfs/dbraw/zinc/98/23/48/943982348.db2.gz LREFNSGAWWZBJS-INIZCTEOSA-N 1 0 367.880 3.806 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2C[NH3+])cc1Cl ZINC000414910176 943992647 /nfs/dbraw/zinc/99/26/47/943992647.db2.gz RWQBJAKMGVMMFQ-AEFFLSMTSA-N 1 0 368.868 3.950 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000517089758 944004897 /nfs/dbraw/zinc/00/48/97/944004897.db2.gz DHNWUHAXUAEEHW-UHFFFAOYSA-N 1 0 356.514 3.600 20 30 FHEDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000285472022 944009456 /nfs/dbraw/zinc/00/94/56/944009456.db2.gz KPOQMYXYLNLUNB-HXUWFJFHSA-N 1 0 368.477 3.763 20 30 FHEDRO CCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000425853228 944011856 /nfs/dbraw/zinc/01/18/56/944011856.db2.gz VSESPJCCYDTLGC-XEYPJELSSA-N 1 0 354.498 3.546 20 30 FHEDRO N#Cc1ccc(CN2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)cc1 ZINC000506098908 944027500 /nfs/dbraw/zinc/02/75/00/944027500.db2.gz LVGUDNQXXXPTDL-UHFFFAOYSA-N 1 0 368.484 3.938 20 30 FHEDRO C=CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000364196842 944033472 /nfs/dbraw/zinc/03/34/72/944033472.db2.gz SBGQBHPZWJACRO-BDTNDASRSA-N 1 0 363.505 3.893 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000436119718 944034906 /nfs/dbraw/zinc/03/49/06/944034906.db2.gz DSQIZTVAAOXMLS-FQEVSTJZSA-N 1 0 351.450 3.663 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000417989189 944044918 /nfs/dbraw/zinc/04/49/18/944044918.db2.gz QIOAYCIQSNNQBJ-YLJYHZDGSA-N 1 0 362.477 3.542 20 30 FHEDRO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCOCC1 ZINC000424686115 944046613 /nfs/dbraw/zinc/04/66/13/944046613.db2.gz ULCXJTWMOMSMDZ-TZIWHRDSSA-N 1 0 370.537 3.871 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000436135009 944047479 /nfs/dbraw/zinc/04/74/79/944047479.db2.gz FAQSNWDKZZGYMD-HZPDHXFCSA-N 1 0 365.477 3.868 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000436138990 944050446 /nfs/dbraw/zinc/05/04/46/944050446.db2.gz MNHUFVKHPZFKCD-IYBDPMFKSA-N 1 0 365.477 3.868 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC(C[NH2+]CC)CC1)c1ccc(F)c(F)c1 ZINC000418026505 944071860 /nfs/dbraw/zinc/07/18/60/944071860.db2.gz HLWZINBTYYFVRP-SFHVURJKSA-N 1 0 351.441 3.613 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]CCCCOc3ccccc3)C2=O)cc1 ZINC000437788908 944115084 /nfs/dbraw/zinc/11/50/84/944115084.db2.gz VITBGJJYFWFOKQ-OAQYLSRUSA-N 1 0 363.461 3.502 20 30 FHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[N@@H+](CC)C1CC1 ZINC000505197883 944125575 /nfs/dbraw/zinc/12/55/75/944125575.db2.gz RHSVRZCDWHQYMZ-UHFFFAOYSA-N 1 0 369.278 3.587 20 30 FHEDRO C=CCc1cc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)cc(OC)c1O ZINC000418089399 944142587 /nfs/dbraw/zinc/14/25/87/944142587.db2.gz IPUUELXIYVHDAS-UHFFFAOYSA-N 1 0 359.388 3.673 20 30 FHEDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414915270 944172451 /nfs/dbraw/zinc/17/24/51/944172451.db2.gz YUQQNBUKBRULSW-GUYCJALGSA-N 1 0 356.857 3.806 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000517341262 944219120 /nfs/dbraw/zinc/21/91/20/944219120.db2.gz JXWYSALUIAJNNI-CTNGQTDRSA-N 1 0 355.526 3.738 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000515805575 944222348 /nfs/dbraw/zinc/22/23/48/944222348.db2.gz KNDSXGQIRCJZRY-OALUTQOASA-N 1 0 373.541 3.761 20 30 FHEDRO CSc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425528936 944239408 /nfs/dbraw/zinc/23/94/08/944239408.db2.gz AAPMZVNBMBDCDL-MAUKXSAKSA-N 1 0 356.491 3.713 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418207834 944266774 /nfs/dbraw/zinc/26/67/74/944266774.db2.gz CHDZCCJOLPLZLG-QHAWAJNXSA-N 1 0 368.525 3.985 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000418214875 944276242 /nfs/dbraw/zinc/27/62/42/944276242.db2.gz MHPDYFITZUPHKE-UXHICEINSA-N 1 0 354.498 3.595 20 30 FHEDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)ccc1OCc1cccc(C#N)c1 ZINC000500233039 944301657 /nfs/dbraw/zinc/30/16/57/944301657.db2.gz QZTLSZFARVSGQR-OXJNMPFZSA-N 1 0 366.461 3.660 20 30 FHEDRO N#C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000505821836 944321526 /nfs/dbraw/zinc/32/15/26/944321526.db2.gz RHNZMHVDHPKABM-AZUAARDMSA-N 1 0 367.880 3.933 20 30 FHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000505831213 944346219 /nfs/dbraw/zinc/34/62/19/944346219.db2.gz LPZOGISMPCYBTH-GOSISDBHSA-N 1 0 371.525 3.515 20 30 FHEDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000543557121 944357241 /nfs/dbraw/zinc/35/72/41/944357241.db2.gz PCXYAPCGCCDTSU-GOSISDBHSA-N 1 0 374.529 3.606 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]C[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000025358778 944369101 /nfs/dbraw/zinc/36/91/01/944369101.db2.gz PGYHCIMYACRRHW-JOCHJYFZSA-N 1 0 364.489 3.634 20 30 FHEDRO N#Cc1cccc([C@@H](O)C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC001167977034 944408278 /nfs/dbraw/zinc/40/82/78/944408278.db2.gz XLGCPSVIQMPXCM-IBGZPJMESA-N 1 0 356.853 3.541 20 30 FHEDRO [NH2+]=C(NCCc1ccc(Cl)s1)Nc1ccc2c(c1)OCCCO2 ZINC000261979965 944438874 /nfs/dbraw/zinc/43/88/74/944438874.db2.gz HPVMEEHXUHMLAJ-UHFFFAOYSA-N 1 0 351.859 3.532 20 30 FHEDRO [NH2+]=C(NC[C@@H]1CCCc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000261980680 944441083 /nfs/dbraw/zinc/44/10/83/944441083.db2.gz HULSOMCPLVDWGY-INIZCTEOSA-N 1 0 351.450 3.695 20 30 FHEDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000418348939 944447504 /nfs/dbraw/zinc/44/75/04/944447504.db2.gz JLBWIYLSOHEYAV-FQEVSTJZSA-N 1 0 350.466 3.523 20 30 FHEDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)N2CCOCC2)cc1 ZINC000566650131 944472152 /nfs/dbraw/zinc/47/21/52/944472152.db2.gz RJAKGQPEBUIAMN-PKTZIBPZSA-N 1 0 361.489 3.517 20 30 FHEDRO CC[C@](C)(O)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000439266424 944482954 /nfs/dbraw/zinc/48/29/54/944482954.db2.gz AZVWJYRSVYGDMG-QFIPXVFZSA-N 1 0 365.477 3.550 20 30 FHEDRO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000516102250 944484120 /nfs/dbraw/zinc/48/41/20/944484120.db2.gz ZEZXALDQHBAYDZ-PXNSSMCTSA-N 1 0 368.477 3.630 20 30 FHEDRO CC(C)C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCCc2cccnc21 ZINC000518534744 944485871 /nfs/dbraw/zinc/48/58/71/944485871.db2.gz MDRNIESFIIYUTR-IBGZPJMESA-N 1 0 360.465 3.532 20 30 FHEDRO CCCCN(C(=O)COc1ccccc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000517679741 944506897 /nfs/dbraw/zinc/50/68/97/944506897.db2.gz CXYVPHXOOZHLNK-UHFFFAOYSA-N 1 0 371.525 3.875 20 30 FHEDRO CC1(C)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@@H]1O ZINC000438334828 944515727 /nfs/dbraw/zinc/51/57/27/944515727.db2.gz ASVVUAZAVWDCDW-NRFANRHFSA-N 1 0 350.462 3.730 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000516154159 944541754 /nfs/dbraw/zinc/54/17/54/944541754.db2.gz GLLNUZAFNUTYRG-GCJKJVERSA-N 1 0 373.541 3.903 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H]1C(F)(F)F ZINC000894775357 944575240 /nfs/dbraw/zinc/57/52/40/944575240.db2.gz KMZRAANHVHXBNQ-ZNMIVQPWSA-N 1 0 372.362 3.697 20 30 FHEDRO C=CCN1CC[C@@H]([N@H+](CC)[C@H](C)Cc2ccccc2C(F)(F)F)C1=O ZINC000499771269 944578345 /nfs/dbraw/zinc/57/83/45/944578345.db2.gz HXPJIVAOTNHMQB-RHSMWYFYSA-N 1 0 354.416 3.745 20 30 FHEDRO CO[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@H]1C ZINC000467384811 944579938 /nfs/dbraw/zinc/57/99/38/944579938.db2.gz XSBBGNXJGCMEBQ-VGSWGCGISA-N 1 0 350.462 3.994 20 30 FHEDRO N#CC1(CCC[NH2+][C@H](CO)c2c(Cl)cccc2Cl)CCOCC1 ZINC000499787678 944609345 /nfs/dbraw/zinc/60/93/45/944609345.db2.gz WABZQLRSTABMLK-OAHLLOKOSA-N 1 0 357.281 3.717 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(Cl)c1 ZINC000439441483 944619778 /nfs/dbraw/zinc/61/97/78/944619778.db2.gz KAQVWHUCNXLFAC-UHFFFAOYSA-N 1 0 367.880 3.740 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Cl)c1 ZINC000439443883 944620904 /nfs/dbraw/zinc/62/09/04/944620904.db2.gz NYDLBOJABZDAIT-QGZVFWFLSA-N 1 0 369.900 3.909 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](OC)C2CC2)cc1OC ZINC000550276251 944673618 /nfs/dbraw/zinc/67/36/18/944673618.db2.gz GSSREUQSWFZAOX-INIZCTEOSA-N 1 0 370.287 3.537 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000517911363 944812083 /nfs/dbraw/zinc/81/20/83/944812083.db2.gz MVOYGROWLSXTOZ-IFMALSPDSA-N 1 0 358.526 3.634 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000439641043 944824873 /nfs/dbraw/zinc/82/48/73/944824873.db2.gz DBRFBFURBOQNMV-AWEZNQCLSA-N 1 0 352.881 3.935 20 30 FHEDRO COc1cccc(Cl)c1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506294612 944829057 /nfs/dbraw/zinc/82/90/57/944829057.db2.gz KDGZFULOXUVRTI-UHFFFAOYSA-N 1 0 369.896 3.928 20 30 FHEDRO C[C@H]([N@@H+](Cc1ccccc1)C[C@H]1CNc2c(C#N)cnn2C1)C(C)(C)C ZINC000517936930 944850094 /nfs/dbraw/zinc/85/00/94/944850094.db2.gz CKNHXZFRIUMAEW-FUHWJXTLSA-N 1 0 351.498 3.733 20 30 FHEDRO CC(C)(C)[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000507018824 944866521 /nfs/dbraw/zinc/86/65/21/944866521.db2.gz AARJIFHGTPARIX-HXUWFJFHSA-N 1 0 353.441 3.691 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438633307 944867229 /nfs/dbraw/zinc/86/72/29/944867229.db2.gz NINHPDOKDBRBEC-OAHLLOKOSA-N 1 0 368.403 3.963 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425666570 944883044 /nfs/dbraw/zinc/88/30/44/944883044.db2.gz YGAAQAVMZBWAGI-LPHOPBHVSA-N 1 0 368.481 3.937 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(F)c1 ZINC000426131444 944989596 /nfs/dbraw/zinc/98/95/96/944989596.db2.gz OWUCKOFPRKVDPQ-QGZVFWFLSA-N 1 0 360.820 3.775 20 30 FHEDRO CCc1cccnc1[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437083292 945000110 /nfs/dbraw/zinc/00/01/10/945000110.db2.gz PHKKIIMKHGBIKO-MNNVXMFVSA-N 1 0 350.466 3.951 20 30 FHEDRO CCC1(CC)[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@@H]1OC ZINC000437089392 945007940 /nfs/dbraw/zinc/00/79/40/945007940.db2.gz UMOWGFXUVMPNHY-GMNCBBECSA-N 1 0 357.498 3.827 20 30 FHEDRO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000519594110 945034476 /nfs/dbraw/zinc/03/44/76/945034476.db2.gz CWGSXWAITBHNKR-SQMWVJLWSA-N 1 0 364.489 3.744 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000516582089 945035446 /nfs/dbraw/zinc/03/54/46/945035446.db2.gz QXHJDBWYVXMOAC-DYESRHJHSA-N 1 0 362.477 3.535 20 30 FHEDRO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330135611 945371327 /nfs/dbraw/zinc/37/13/27/945371327.db2.gz HGOPBNUHHDEUPY-WIYYLYMNSA-N 1 0 371.525 3.675 20 30 FHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000507612458 945375196 /nfs/dbraw/zinc/37/51/96/945375196.db2.gz CJQIRBOHGJZPRI-XLIONFOSSA-N 1 0 350.462 3.817 20 30 FHEDRO Cc1cccc2[nH]cc(CCNC(=O)NC3CC[NH+](C4CCCC4)CC3)c21 ZINC000330151468 945377380 /nfs/dbraw/zinc/37/73/80/945377380.db2.gz LKVUQZBYYKWYTJ-UHFFFAOYSA-N 1 0 368.525 3.929 20 30 FHEDRO COC1CCN(C(C)(C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507638017 945385853 /nfs/dbraw/zinc/38/58/53/945385853.db2.gz RUZJQNRLAGODII-UHFFFAOYSA-N 1 0 369.553 3.870 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2OCCO)CC1 ZINC000507647333 945398100 /nfs/dbraw/zinc/39/81/00/945398100.db2.gz ACNSHFBWEJPUHS-UHFFFAOYSA-N 1 0 350.462 3.551 20 30 FHEDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000330202506 945400591 /nfs/dbraw/zinc/40/05/91/945400591.db2.gz ZJRDFQSSNRYQBL-RDJZCZTQSA-N 1 0 362.518 3.807 20 30 FHEDRO O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)[C@H]1CCCN1C1CC1 ZINC000330205998 945401012 /nfs/dbraw/zinc/40/10/12/945401012.db2.gz CWEGSBYSPKBEBJ-OAHLLOKOSA-N 1 0 371.462 3.796 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000440326976 945406359 /nfs/dbraw/zinc/40/63/59/945406359.db2.gz IDRQZTXZOWVQFI-PKOBYXMFSA-N 1 0 372.534 3.929 20 30 FHEDRO CN(C)C(=O)C1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCC1 ZINC000507643782 945412930 /nfs/dbraw/zinc/41/29/30/945412930.db2.gz ITVPXUICYVPFPG-UHFFFAOYSA-N 1 0 353.510 3.629 20 30 FHEDRO C[NH+]1CCC(n2ccc(NC(=O)NCC(C)(C)C3CCCCC3)n2)CC1 ZINC000330231535 945414498 /nfs/dbraw/zinc/41/44/98/945414498.db2.gz WXLATWALHUGTKX-UHFFFAOYSA-N 1 0 361.534 3.504 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+]1C ZINC000438021925 945415636 /nfs/dbraw/zinc/41/56/36/945415636.db2.gz GTSSWKHWIVKQMQ-QAPCUYQASA-N 1 0 364.449 3.955 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+]1C ZINC000438021927 945416915 /nfs/dbraw/zinc/41/69/15/945416915.db2.gz GTSSWKHWIVKQMQ-YJBOKZPZSA-N 1 0 364.449 3.955 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CC1 ZINC000660707044 945418623 /nfs/dbraw/zinc/41/86/23/945418623.db2.gz LCEIKDVKBRQCLB-UHFFFAOYSA-N 1 0 368.308 3.712 20 30 FHEDRO COc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)ccc1N1CCCC1=O ZINC000330255016 945427848 /nfs/dbraw/zinc/42/78/48/945427848.db2.gz BBWYPVKIPKIMTN-MRXNPFEDSA-N 1 0 359.470 3.675 20 30 FHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@@H]1CCOC1 ZINC000330266397 945434114 /nfs/dbraw/zinc/43/41/14/945434114.db2.gz PXHLDBIPLMJFRA-KGLIPLIRSA-N 1 0 361.511 3.833 20 30 FHEDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c(Br)c1 ZINC000330273605 945439186 /nfs/dbraw/zinc/43/91/86/945439186.db2.gz ZLIINNDGHKPWDX-XZJROXQQSA-N 1 0 367.287 3.891 20 30 FHEDRO O=C(N[C@@H]1Cc2cccc(O)c2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000330276863 945440518 /nfs/dbraw/zinc/44/05/18/945440518.db2.gz NNGHJHCMCIWLTQ-RBUKOAKNSA-N 1 0 350.462 3.728 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC(=O)c2ccccc21)C(C)C ZINC000550294039 945443660 /nfs/dbraw/zinc/44/36/60/945443660.db2.gz YXXOVIIWBVWBQV-UXHICEINSA-N 1 0 354.494 3.562 20 30 FHEDRO C=CCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(C)cc1 ZINC000027059600 945510227 /nfs/dbraw/zinc/51/02/27/945510227.db2.gz BWOBGPFJVGYDHW-UHFFFAOYSA-O 1 0 351.451 3.743 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000664901469 945532960 /nfs/dbraw/zinc/53/29/60/945532960.db2.gz DIVRBODNLVDOJE-SVFBPWRDSA-N 1 0 371.525 3.969 20 30 FHEDRO C=CC[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000187575021 945538895 /nfs/dbraw/zinc/53/88/95/945538895.db2.gz KPSOCZHTOKWZBP-JOCHJYFZSA-N 1 0 370.537 3.697 20 30 FHEDRO C=CC[C@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000187575002 945539100 /nfs/dbraw/zinc/53/91/00/945539100.db2.gz KPSOCZHTOKWZBP-QFIPXVFZSA-N 1 0 370.537 3.697 20 30 FHEDRO C[C@H]1C[NH+](Cc2ccccc2NCCCC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000281191167 945549814 /nfs/dbraw/zinc/54/98/14/945549814.db2.gz MOIQMYAHWANPTA-OALUTQOASA-N 1 0 371.525 3.808 20 30 FHEDRO Cc1cc(C)n(-c2ccc(CNC(=[NH2+])Nc3cccc(C(C)C)c3)cn2)n1 ZINC000262020188 945583528 /nfs/dbraw/zinc/58/35/28/945583528.db2.gz XSJAYGIYZNAYCH-UHFFFAOYSA-N 1 0 362.481 3.934 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281292502 945589727 /nfs/dbraw/zinc/58/97/27/945589727.db2.gz HJDKMFTUIMGFHX-INIZCTEOSA-N 1 0 360.527 3.888 20 30 FHEDRO Cc1cc(-c2noc([C@@H](C)[NH2+]CCCC3(C#N)CCOCC3)n2)ccc1F ZINC000281356558 945603774 /nfs/dbraw/zinc/60/37/74/945603774.db2.gz NMZZUEAGKOVYSL-OAHLLOKOSA-N 1 0 372.444 3.935 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440611889 945705061 /nfs/dbraw/zinc/70/50/61/945705061.db2.gz LTVTXUCFNMHXBI-MJGOQNOKSA-N 1 0 360.816 3.979 20 30 FHEDRO CCCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1cccc(C)c1 ZINC000027318540 945707796 /nfs/dbraw/zinc/70/77/96/945707796.db2.gz PLWOAVYDRXDPFA-UHFFFAOYSA-O 1 0 353.467 3.967 20 30 FHEDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)ccc1OC(C)C ZINC000127068191 945708774 /nfs/dbraw/zinc/70/87/74/945708774.db2.gz ZNFNRUHQYONQOT-BEFAXECRSA-N 1 0 354.450 3.738 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(CC)cc1 ZINC000027324149 945708811 /nfs/dbraw/zinc/70/88/11/945708811.db2.gz GTKGXQLGNSZMNB-UHFFFAOYSA-O 1 0 371.526 3.874 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(C)cc1 ZINC000027321999 945709271 /nfs/dbraw/zinc/70/92/71/945709271.db2.gz RLELNFVWAAJPHI-UHFFFAOYSA-O 1 0 369.510 3.546 20 30 FHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3ccccc3OC)CC2)C1 ZINC000651698482 945719697 /nfs/dbraw/zinc/71/96/97/945719697.db2.gz SAROSYBNSWSULK-YLJYHZDGSA-N 1 0 356.510 3.563 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC(c2ccccc2)c2ccccc2)cc1 ZINC000550084855 945739690 /nfs/dbraw/zinc/73/96/90/945739690.db2.gz AMSKZICCRBYLHM-QFIPXVFZSA-N 1 0 372.468 3.720 20 30 FHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC000651711547 945741731 /nfs/dbraw/zinc/74/17/31/945741731.db2.gz MQXDLEYQPPJEOZ-APWZRJJASA-N 1 0 372.509 3.643 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000661116373 945748880 /nfs/dbraw/zinc/74/88/80/945748880.db2.gz JIQSEXPKWUVFCZ-PBHICJAKSA-N 1 0 357.454 3.978 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000661117874 945749919 /nfs/dbraw/zinc/74/99/19/945749919.db2.gz UTSWCYPCUZHMNK-DOTOQJQBSA-N 1 0 372.538 3.745 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000661117697 945750036 /nfs/dbraw/zinc/75/00/36/945750036.db2.gz UEPFWCDSLYAWBV-GOEBONIOSA-N 1 0 373.888 3.584 20 30 FHEDRO C=CCCCN(CC)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000894519211 945881218 /nfs/dbraw/zinc/88/12/18/945881218.db2.gz FTWQRZWKPLTECX-UHFFFAOYSA-N 1 0 361.452 3.789 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000121224602 945883200 /nfs/dbraw/zinc/88/32/00/945883200.db2.gz RBBNZXYWLGSEHX-QHCPKHFHSA-N 1 0 373.500 3.786 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301650812 945894866 /nfs/dbraw/zinc/89/48/66/945894866.db2.gz GCJXTSJLXQVFFH-UHFFFAOYSA-N 1 0 354.248 3.810 20 30 FHEDRO N#CC1(CCC[N@@H+](CCCO)Cc2cccc(Cl)c2)CCOCC1 ZINC000281882599 945902602 /nfs/dbraw/zinc/90/26/02/945902602.db2.gz DEMPHVYZFHRTGB-UHFFFAOYSA-N 1 0 350.890 3.625 20 30 FHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)C1 ZINC000651796895 945950571 /nfs/dbraw/zinc/95/05/71/945950571.db2.gz JETQLIBDEDSFCH-YBOAYWMSSA-N 1 0 367.493 3.746 20 30 FHEDRO COc1ccc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)cc1 ZINC000027460551 946010632 /nfs/dbraw/zinc/01/06/32/946010632.db2.gz KZWXQASKSYMDHH-UHFFFAOYSA-O 1 0 369.510 3.844 20 30 FHEDRO C=CC[C@@]1(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CCC[NH2+]1 ZINC000662797979 946014081 /nfs/dbraw/zinc/01/40/81/946014081.db2.gz BOADMMWVTLADTA-SFHVURJKSA-N 1 0 361.898 3.778 20 30 FHEDRO C=CC[C@]1(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)CCC[NH2+]1 ZINC000662797977 946014166 /nfs/dbraw/zinc/01/41/66/946014166.db2.gz BOADMMWVTLADTA-GOSISDBHSA-N 1 0 361.898 3.778 20 30 FHEDRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC001126497498 946015519 /nfs/dbraw/zinc/01/55/19/946015519.db2.gz LNSQLLWQZNUWQT-JOCHJYFZSA-N 1 0 373.500 3.885 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3cccc(C)c3)c2CCC)CC1 ZINC000444182865 946040403 /nfs/dbraw/zinc/04/04/03/946040403.db2.gz MMYCZMXKEJEEDF-UHFFFAOYSA-N 1 0 366.509 3.513 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000520042245 946043321 /nfs/dbraw/zinc/04/33/21/946043321.db2.gz SDZCUDRHJOUBHE-LJQANCHMSA-N 1 0 358.526 3.960 20 30 FHEDRO C=CCn1c(C2CCC2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508467250 946047051 /nfs/dbraw/zinc/04/70/51/946047051.db2.gz XSKKNWMIAAWKLP-IBGZPJMESA-N 1 0 365.525 3.690 20 30 FHEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662824048 946065993 /nfs/dbraw/zinc/06/59/93/946065993.db2.gz VIVNDGXYMPOZPM-IUCAKERBSA-N 1 0 374.300 3.832 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)C1 ZINC000444238175 946109876 /nfs/dbraw/zinc/10/98/76/946109876.db2.gz AEJCZFALRBMAFP-XLIONFOSSA-N 1 0 366.509 3.747 20 30 FHEDRO Cc1oc2ccccc2c1CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262414549 946134523 /nfs/dbraw/zinc/13/45/23/946134523.db2.gz PYOULTLQGMTTCV-UHFFFAOYSA-N 1 0 365.433 3.872 20 30 FHEDRO C=CCCC1(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000475456310 946162668 /nfs/dbraw/zinc/16/26/68/946162668.db2.gz BUIJRXJIKYVYPT-QGZVFWFLSA-N 1 0 373.516 3.891 20 30 FHEDRO CC[NH+](CC)CCCC1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000543906558 946181948 /nfs/dbraw/zinc/18/19/48/946181948.db2.gz BYWYFXDSSODLTB-UHFFFAOYSA-N 1 0 355.526 3.582 20 30 FHEDRO C=CC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(C#N)c1 ZINC000520137402 946196705 /nfs/dbraw/zinc/19/67/05/946196705.db2.gz IVAZXCGQQWDYDP-UHFFFAOYSA-N 1 0 373.456 3.623 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cnc(C(F)(F)F)nc2)CC1 ZINC000595059547 946206060 /nfs/dbraw/zinc/20/60/60/946206060.db2.gz GQJAYOBFNGEXBM-UHFFFAOYSA-N 1 0 360.383 3.989 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(C#N)ccc2F)CC1 ZINC000827984180 946220801 /nfs/dbraw/zinc/22/08/01/946220801.db2.gz CFRZOVXEYHCJMX-OAHLLOKOSA-N 1 0 351.425 3.653 20 30 FHEDRO CSC[C@@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925097103 946224662 /nfs/dbraw/zinc/22/46/62/946224662.db2.gz QELMMJCHAMWQRB-LSDHHAIUSA-N 1 0 355.548 3.647 20 30 FHEDRO CC(C)C[N@H+](CC(=O)N1c2ccccc2C[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000520173978 946229514 /nfs/dbraw/zinc/22/95/14/946229514.db2.gz LPCIKQHOMNJCEF-SFHVURJKSA-N 1 0 361.489 3.994 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000042326839 946241530 /nfs/dbraw/zinc/24/15/30/946241530.db2.gz OMAQLKBKKWZHLP-SFHVURJKSA-N 1 0 365.477 3.771 20 30 FHEDRO C[C@H]1C[NH+](CC2CCN(CC#Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000441147515 946271476 /nfs/dbraw/zinc/27/14/76/946271476.db2.gz QMLKNXMFZYQYDD-ROUUACIJSA-N 1 0 360.929 3.513 20 30 FHEDRO C[NH+](C)CC[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001126109920 946290779 /nfs/dbraw/zinc/29/07/79/946290779.db2.gz QVKKYEYEGHQJQM-INIZCTEOSA-N 1 0 354.416 3.540 20 30 FHEDRO N#CCCn1cc(C[NH2+]CCc2ccc3[nH]ccc3c2)c(-c2ccncc2)n1 ZINC000441192455 946293600 /nfs/dbraw/zinc/29/36/00/946293600.db2.gz DGLKMDNBALLJNQ-UHFFFAOYSA-N 1 0 370.460 3.672 20 30 FHEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(N3CCC3=O)c2)cc1Cl ZINC000441200630 946300978 /nfs/dbraw/zinc/30/09/78/946300978.db2.gz DSJXEUBEEKDOIG-UHFFFAOYSA-N 1 0 356.853 3.931 20 30 FHEDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1OC ZINC000109014989 946310027 /nfs/dbraw/zinc/31/00/27/946310027.db2.gz STFWSAWEFJVOHJ-ZDUSSCGKSA-N 1 0 373.478 3.706 20 30 FHEDRO C[C@](C#N)(NC(=O)C[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1)C1CC1 ZINC000441174866 946335973 /nfs/dbraw/zinc/33/59/73/946335973.db2.gz FEMVILIVSZJEAT-QQOJZKPCSA-N 1 0 351.494 3.753 20 30 FHEDRO N#Cc1ccc(C2(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)CCCC2)cc1 ZINC001126596556 946343445 /nfs/dbraw/zinc/34/34/45/946343445.db2.gz FZGRPZDHPHESMK-NRFANRHFSA-N 1 0 365.521 3.751 20 30 FHEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000520293477 946371993 /nfs/dbraw/zinc/37/19/93/946371993.db2.gz BJTCSAABTMRLAH-OAHLLOKOSA-N 1 0 351.450 3.636 20 30 FHEDRO N#CCc1ccc(Oc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)cc1 ZINC000520334165 946426417 /nfs/dbraw/zinc/42/64/17/946426417.db2.gz ZAUSAOZORJDTOU-UHFFFAOYSA-N 1 0 363.461 3.761 20 30 FHEDRO [NH2+]=C(NC[C@@H](c1ccccc1)C(F)(F)F)N[C@@H]1CCOc2ccccc21 ZINC000262429338 946439742 /nfs/dbraw/zinc/43/97/42/946439742.db2.gz IYEBDWWZIYEQMF-JKSUJKDBSA-N 1 0 363.383 3.761 20 30 FHEDRO COc1cccc(C2([NH2+]Cc3ccc(C#N)c(OC)c3)CCOCC2)c1F ZINC000441336495 946443979 /nfs/dbraw/zinc/44/39/79/946443979.db2.gz AVMMPXPJCRZBIN-UHFFFAOYSA-N 1 0 370.424 3.510 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cccc(C(N)=O)c2)c1 ZINC000066904973 946498950 /nfs/dbraw/zinc/49/89/50/946498950.db2.gz LYVGTBFIFSYTGI-UHFFFAOYSA-N 1 0 371.440 3.526 20 30 FHEDRO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)C(C)(C)C ZINC000661755360 946591194 /nfs/dbraw/zinc/59/11/94/946591194.db2.gz PMMLSGTWTJNMHT-SFHVURJKSA-N 1 0 360.498 3.654 20 30 FHEDRO C=CC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C(C)(C)C ZINC000661760307 946597433 /nfs/dbraw/zinc/59/74/33/946597433.db2.gz QAKNMPQPBWGHOK-UHFFFAOYSA-N 1 0 361.230 3.952 20 30 FHEDRO C[C@H](c1ccccc1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000024687111 946600213 /nfs/dbraw/zinc/60/02/13/946600213.db2.gz FUNDRGKXSRLYMG-MRXNPFEDSA-N 1 0 374.406 3.866 20 30 FHEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000101930583 946614034 /nfs/dbraw/zinc/61/40/34/946614034.db2.gz OOMSPFQBUCICMR-QGZVFWFLSA-N 1 0 362.477 3.665 20 30 FHEDRO C[C@H]1C[C@H](CCNC(=O)c2sccc2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000866929187 946635572 /nfs/dbraw/zinc/63/55/72/946635572.db2.gz BWDWJJHIVCHZBH-WMZOPIPTSA-N 1 0 367.518 3.845 20 30 FHEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000121407989 946669551 /nfs/dbraw/zinc/66/95/51/946669551.db2.gz SXBSYMVWQHNVAS-XJKSGUPXSA-N 1 0 357.454 3.965 20 30 FHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCCO1 ZINC000541637436 946706707 /nfs/dbraw/zinc/70/67/07/946706707.db2.gz RRLKHJHLOWDBNT-RBUKOAKNSA-N 1 0 372.513 3.577 20 30 FHEDRO C[C@@](C#N)(NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000550352251 946717665 /nfs/dbraw/zinc/71/76/65/946717665.db2.gz ZVXDWGYELZGECL-UGKGYDQZSA-N 1 0 353.510 3.877 20 30 FHEDRO CCOCc1ccccc1CNC(=[NH2+])Nc1cc(OCC)ccc1OCC ZINC000303909444 946735354 /nfs/dbraw/zinc/73/53/54/946735354.db2.gz YEUFKCBVTYUJQI-UHFFFAOYSA-N 1 0 371.481 3.947 20 30 FHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186629284 946756421 /nfs/dbraw/zinc/75/64/21/946756421.db2.gz XRXKAMKEEIGARM-UHFFFAOYSA-N 1 0 366.461 3.852 20 30 FHEDRO [NH2+]=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)Nc1ccccn1 ZINC000262467256 946760223 /nfs/dbraw/zinc/76/02/23/946760223.db2.gz YLBUUBHVNZQJJQ-OAHLLOKOSA-N 1 0 363.490 3.737 20 30 FHEDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@H](O)COc1ccccc1C#N ZINC001168074474 946767394 /nfs/dbraw/zinc/76/73/94/946767394.db2.gz UZQYTSGSRVEDDY-SFTDATJTSA-N 1 0 352.478 3.641 20 30 FHEDRO CCOc1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)cc1OC ZINC000304669317 946787367 /nfs/dbraw/zinc/78/73/67/946787367.db2.gz LSLYSBJIOFQZSA-UHFFFAOYSA-N 1 0 353.466 3.900 20 30 FHEDRO C=CCn1c(SCC[C@H]2CCC[N@H+]2C)nc2sc(C)c(C)c2c1=O ZINC000432235188 946802398 /nfs/dbraw/zinc/80/23/98/946802398.db2.gz YQOQWQAYQDQBGM-CQSZACIVSA-N 1 0 363.552 3.837 20 30 FHEDRO Cc1ccn(-c2ccccc2CNC(=[NH2+])Nc2cccc3c2CCCC3)n1 ZINC000305110688 946819209 /nfs/dbraw/zinc/81/92/09/946819209.db2.gz CULNDLJUULNHDZ-UHFFFAOYSA-N 1 0 359.477 3.986 20 30 FHEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000028924914 946829432 /nfs/dbraw/zinc/82/94/32/946829432.db2.gz HLOXOGFBVZZACI-INIZCTEOSA-N 1 0 350.466 3.846 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)c(F)c1 ZINC000418038148 946873479 /nfs/dbraw/zinc/87/34/79/946873479.db2.gz YEJSWBMIESSMOF-BXWFABGCSA-N 1 0 363.452 3.613 20 30 FHEDRO N#Cc1ccccc1O[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994375 946902229 /nfs/dbraw/zinc/90/22/29/946902229.db2.gz BYQISFXWXRISOF-IUPYZPJSSA-N 1 0 365.521 3.807 20 30 FHEDRO N#Cc1ccccc1O[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994378 946902484 /nfs/dbraw/zinc/90/24/84/946902484.db2.gz BYQISFXWXRISOF-PJEZACDQSA-N 1 0 365.521 3.807 20 30 FHEDRO C[C@@]1(O)CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000475335424 946902527 /nfs/dbraw/zinc/90/25/27/946902527.db2.gz HGNSOADKFZFNDI-JOCHJYFZSA-N 1 0 350.462 3.874 20 30 FHEDRO C[NH+](C)CCCOc1cccc(NC(=O)[C@H](CC#N)c2ccccc2)c1 ZINC001126170976 946905620 /nfs/dbraw/zinc/90/56/20/946905620.db2.gz SVUXGQLNGORLDY-HXUWFJFHSA-N 1 0 351.450 3.653 20 30 FHEDRO COC1(C(F)(F)F)CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000418087781 946906851 /nfs/dbraw/zinc/90/68/51/946906851.db2.gz DHHUJULMGORXNE-UHFFFAOYSA-N 1 0 356.388 3.912 20 30 FHEDRO N#CC(CC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000193120247 946932735 /nfs/dbraw/zinc/93/27/35/946932735.db2.gz SAOLFDTYRSZNOU-LEWJYISDSA-N 1 0 361.489 3.520 20 30 FHEDRO CC[C@@H]1C[C@@H](C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1 ZINC000475357246 946937523 /nfs/dbraw/zinc/93/75/23/946937523.db2.gz ZHLVLHXHXYQXMK-DBVUQKKJSA-N 1 0 361.917 3.727 20 30 FHEDRO CC[C@@H]1C[C@@H](C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCO1 ZINC000475357248 946937548 /nfs/dbraw/zinc/93/75/48/946937548.db2.gz ZHLVLHXHXYQXMK-PWIZWCRZSA-N 1 0 361.917 3.727 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000125608638 946953115 /nfs/dbraw/zinc/95/31/15/946953115.db2.gz LDCRIOQJYQDPSB-LLGFUMIMSA-N 1 0 362.477 3.581 20 30 FHEDRO N#Cc1nc(N2CCC[N@H+](CCCc3ccccc3)CC2)ccc1Cl ZINC000067371150 946957046 /nfs/dbraw/zinc/95/70/46/946957046.db2.gz DPUYPUUEYFMRTG-UHFFFAOYSA-N 1 0 354.885 3.752 20 30 FHEDRO CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c12 ZINC000328637617 946960839 /nfs/dbraw/zinc/96/08/39/946960839.db2.gz AYPGUMNREABYSK-NVXWUHKLSA-N 1 0 356.470 3.669 20 30 FHEDRO CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000328646270 946963807 /nfs/dbraw/zinc/96/38/07/946963807.db2.gz GSZZAFJUADECES-SFHVURJKSA-N 1 0 352.482 3.533 20 30 FHEDRO CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)c12 ZINC000328652422 946966975 /nfs/dbraw/zinc/96/69/75/946966975.db2.gz KLRKNSJXXQSYBF-GXTWGEPZSA-N 1 0 356.470 3.668 20 30 FHEDRO O=C(C[NH2+][C@@H]1CCCC12CCOCC2)Nc1cccc(Br)c1 ZINC000328660747 946969596 /nfs/dbraw/zinc/96/95/96/946969596.db2.gz VWPHCAKOCUVHCL-OAHLLOKOSA-N 1 0 367.287 3.976 20 30 FHEDRO Cc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cnn1-c1cc(C)ccc1C ZINC000328603409 946979100 /nfs/dbraw/zinc/97/91/00/946979100.db2.gz HSNYYBKNZCXHFA-MJGOQNOKSA-N 1 0 367.497 3.750 20 30 FHEDRO C=CCn1c(CC(C)C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508475241 946983481 /nfs/dbraw/zinc/98/34/81/946983481.db2.gz YBSHMJHYOKBODB-OALUTQOASA-N 1 0 359.562 3.753 20 30 FHEDRO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000328694504 946992486 /nfs/dbraw/zinc/99/24/86/946992486.db2.gz GAGMELVIIOHUBY-IEBWSBKVSA-N 1 0 374.529 3.501 20 30 FHEDRO Cc1cc2ncc(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)c(C)n2n1 ZINC000328709735 946999833 /nfs/dbraw/zinc/99/98/33/946999833.db2.gz MOTFSOGSEQIGMM-UHFFFAOYSA-N 1 0 369.513 3.697 20 30 FHEDRO Cn1nccc1[C@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000328747070 947008417 /nfs/dbraw/zinc/00/84/17/947008417.db2.gz PXOMGOVAYSRXHN-QQABJKMWSA-N 1 0 356.514 3.525 20 30 FHEDRO Cn1ncc2c1C[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)CC2 ZINC000328767550 947018489 /nfs/dbraw/zinc/01/84/89/947018489.db2.gz FQRQYZCONIWRBI-XMSQKQJNSA-N 1 0 366.509 3.536 20 30 FHEDRO CC(C)(C#N)CCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000444594847 947018943 /nfs/dbraw/zinc/01/89/43/947018943.db2.gz IUKUKZOYABFOOQ-HXUWFJFHSA-N 1 0 353.510 3.756 20 30 FHEDRO CC[N@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000444595103 947021244 /nfs/dbraw/zinc/02/12/44/947021244.db2.gz KYVQTKREAITLQV-UHFFFAOYSA-N 1 0 358.486 3.625 20 30 FHEDRO CCC(=O)N1CCCC[C@H]1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000328727714 947024104 /nfs/dbraw/zinc/02/41/04/947024104.db2.gz VFXVOFMZDVVLLB-SFHVURJKSA-N 1 0 363.546 3.780 20 30 FHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3coc(C4CCCCC4)n3)nc2)CC1 ZINC000328729173 947025135 /nfs/dbraw/zinc/02/51/35/947025135.db2.gz FHUZNLGUVXJNBQ-UHFFFAOYSA-N 1 0 369.469 3.505 20 30 FHEDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328809658 947031377 /nfs/dbraw/zinc/03/13/77/947031377.db2.gz ODQBHSCZAFHAJR-GDBMZVCRSA-N 1 0 358.442 3.531 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328819423 947037086 /nfs/dbraw/zinc/03/70/86/947037086.db2.gz HIASXSLUKTYBHK-XJKSGUPXSA-N 1 0 361.873 3.937 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328819409 947037486 /nfs/dbraw/zinc/03/74/86/947037486.db2.gz HIASXSLUKTYBHK-BBRMVZONSA-N 1 0 361.873 3.937 20 30 FHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CCC(=O)NC3CCCC3)C2)CC1 ZINC000328800454 947051368 /nfs/dbraw/zinc/05/13/68/947051368.db2.gz YKWRXUOXEAEACG-GOSISDBHSA-N 1 0 363.546 3.636 20 30 FHEDRO C=CCn1c(-c2cccc3ccccc32)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508502885 947064337 /nfs/dbraw/zinc/06/43/37/947064337.db2.gz COXRZKCYXKOBHD-UHFFFAOYSA-N 1 0 373.504 3.959 20 30 FHEDRO Cc1[nH]c2ccccc2c1CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000328861118 947070338 /nfs/dbraw/zinc/07/03/38/947070338.db2.gz LPPJZXVLJJPDPO-GOSISDBHSA-N 1 0 368.525 3.597 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C3CCOCC3)C2)c(C)c1 ZINC000328870953 947076770 /nfs/dbraw/zinc/07/67/70/947076770.db2.gz YDWDPRIJBGTVDC-FUHWJXTLSA-N 1 0 373.497 3.942 20 30 FHEDRO Cc1cccc2c(CCNC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)c[nH]c21 ZINC000328879813 947080538 /nfs/dbraw/zinc/08/05/38/947080538.db2.gz VKXJCTZRSBDRJX-LJQANCHMSA-N 1 0 368.525 3.597 20 30 FHEDRO Cc1ccc2c(CCNC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)c[nH]c2c1 ZINC000328881702 947081361 /nfs/dbraw/zinc/08/13/61/947081361.db2.gz WQAJRGOVSJGYJR-IBGZPJMESA-N 1 0 368.525 3.597 20 30 FHEDRO N#CC(CC[N@H+]1CCSC[C@@H]1CCO)(c1ccccc1)c1ccccc1 ZINC000444643722 947085713 /nfs/dbraw/zinc/08/57/13/947085713.db2.gz CRZBPXATKKCMLL-NRFANRHFSA-N 1 0 366.530 3.686 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000444645082 947085888 /nfs/dbraw/zinc/08/58/88/947085888.db2.gz WVFBTAZOKUMSEY-IEBWSBKVSA-N 1 0 371.525 3.874 20 30 FHEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C1CC1 ZINC000328939858 947093945 /nfs/dbraw/zinc/09/39/45/947093945.db2.gz SCBZWDGQMJVZHG-LESCRADOSA-N 1 0 359.518 3.693 20 30 FHEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000444682888 947107243 /nfs/dbraw/zinc/10/72/43/947107243.db2.gz WESMVENUKMNDIP-UHFFFAOYSA-N 1 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ZINC000330400424 947166815 /nfs/dbraw/zinc/16/68/15/947166815.db2.gz SIICZUQCJYWYJD-UHFFFAOYSA-N 1 0 360.502 3.932 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 ZINC000330455183 947175475 /nfs/dbraw/zinc/17/54/75/947175475.db2.gz MWQTYUYUGHKVMH-UHFFFAOYSA-N 1 0 360.424 3.836 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000330462843 947177070 /nfs/dbraw/zinc/17/70/70/947177070.db2.gz TYNFCNKIULSVNH-WFASDCNBSA-N 1 0 354.281 3.939 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(OC)c(Br)c2)CC1 ZINC000330471258 947178432 /nfs/dbraw/zinc/17/84/32/947178432.db2.gz DOCCECVZQJXBFG-UHFFFAOYSA-N 1 0 370.291 3.658 20 30 FHEDRO COc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000330474080 947178512 /nfs/dbraw/zinc/17/85/12/947178512.db2.gz RAJOFTZCKLDYSP-LBPRGKRZSA-N 1 0 370.291 3.658 20 30 FHEDRO CCOc1ccc(F)c(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1F ZINC000330492449 947182609 /nfs/dbraw/zinc/18/26/09/947182609.db2.gz JWBOKPAFMHKJJX-CYBMUJFWSA-N 1 0 355.429 3.810 20 30 FHEDRO Cc1cnn(CCCCC[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000444771530 947207296 /nfs/dbraw/zinc/20/72/96/947207296.db2.gz PRCZPRRROJGHOX-UHFFFAOYSA-N 1 0 371.916 3.709 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C(C)C)C2)cc1 ZINC000444774199 947208787 /nfs/dbraw/zinc/20/87/87/947208787.db2.gz VOTYZXDUWFWZBQ-GOSISDBHSA-N 1 0 357.498 3.700 20 30 FHEDRO CSc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1NC(C)=O ZINC000330543519 947215046 /nfs/dbraw/zinc/21/50/46/947215046.db2.gz UBUBFTWFTYBAHY-UHFFFAOYSA-N 1 0 363.527 3.934 20 30 FHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247132822 947251430 /nfs/dbraw/zinc/25/14/30/947251430.db2.gz MGANNMFOTYORKK-HZPDHXFCSA-N 1 0 360.527 3.792 20 30 FHEDRO COc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1C(C)C ZINC000330707726 947254675 /nfs/dbraw/zinc/25/46/75/947254675.db2.gz MWIZQLXGQWJTIO-HOCLYGCPSA-N 1 0 363.502 3.787 20 30 FHEDRO C[C@H]1CN(c2ccc(NCc3ccc(F)c(C#N)c3Cl)cn2)C[C@H](C)O1 ZINC000475443306 947258560 /nfs/dbraw/zinc/25/85/60/947258560.db2.gz IZIQXBFALUXKHH-STQMWFEESA-N 1 0 374.847 3.971 20 30 FHEDRO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C#N)c1)C2 ZINC001271498062 947272422 /nfs/dbraw/zinc/27/24/22/947272422.db2.gz YJPSCSPKTLXAPR-DSKINZAPSA-N 1 0 353.510 3.921 20 30 FHEDRO COc1c(Cl)cc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1Cl ZINC000330787326 947284662 /nfs/dbraw/zinc/28/46/62/947284662.db2.gz OVOCIXBJZOPHBU-JTQLQIEISA-N 1 0 358.269 3.978 20 30 FHEDRO COc1ccc(Br)c(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000330783494 947284938 /nfs/dbraw/zinc/28/49/38/947284938.db2.gz QPNHUWSKNDKTOE-LBPRGKRZSA-N 1 0 370.291 3.658 20 30 FHEDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)s2)c2ccc(F)cc2C1 ZINC000184526697 947312794 /nfs/dbraw/zinc/31/27/94/947312794.db2.gz HHWUVMJADIIHII-XIKOKIGWSA-N 1 0 357.454 3.903 20 30 FHEDRO C=CCn1c(C2CCC2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000508510879 947313710 /nfs/dbraw/zinc/31/37/10/947313710.db2.gz SFMOKTKGRLNWGI-HNNXBMFYSA-N 1 0 357.527 3.676 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000330955298 947315985 /nfs/dbraw/zinc/31/59/85/947315985.db2.gz BCDVMFBKERYORW-ZDUSSCGKSA-N 1 0 364.559 3.983 20 30 FHEDRO C=CC[NH+]1CCC(Nc2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000301388716 947321745 /nfs/dbraw/zinc/32/17/45/947321745.db2.gz FDHGNZULWGYXAK-UHFFFAOYSA-N 1 0 357.458 3.659 20 30 FHEDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000469936084 947343446 /nfs/dbraw/zinc/34/34/46/947343446.db2.gz SPYDYNUAEXDIHJ-MRXNPFEDSA-N 1 0 351.450 3.806 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)ccc2OC(C)C)C[C@H]1C ZINC000331135691 947354911 /nfs/dbraw/zinc/35/49/11/947354911.db2.gz PXZRMCBNYVSSEA-CVEARBPZSA-N 1 0 363.502 3.833 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)c(Cl)cc2OC)C[C@H]1C ZINC000331145694 947357606 /nfs/dbraw/zinc/35/76/06/947357606.db2.gz SFHDPCOIJQKHAS-CHWSQXEVSA-N 1 0 369.893 3.707 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(NC(=O)C(C)C)c2)C[C@H]1C ZINC000331128769 947364016 /nfs/dbraw/zinc/36/40/16/947364016.db2.gz OJGIEDGMXDLYPD-CRAIPNDOSA-N 1 0 360.502 3.631 20 30 FHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000248382724 947382287 /nfs/dbraw/zinc/38/22/87/947382287.db2.gz XXAOIBAFUDZKSZ-GOSISDBHSA-N 1 0 369.509 3.631 20 30 FHEDRO C=C[C@H](CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000126657406 947415096 /nfs/dbraw/zinc/41/50/96/947415096.db2.gz OQLHCORHRUAUAP-SFHLNBCPSA-N 1 0 370.537 3.694 20 30 FHEDRO COc1cc(CNc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)ccc1C#N ZINC000440641160 947468159 /nfs/dbraw/zinc/46/81/59/947468159.db2.gz VGUHEWCLSRYIIX-IAGOWNOFSA-N 1 0 365.477 3.788 20 30 FHEDRO COc1cc(CNc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)ccc1C#N ZINC000440641164 947469484 /nfs/dbraw/zinc/46/94/84/947469484.db2.gz VGUHEWCLSRYIIX-IRXDYDNUSA-N 1 0 365.477 3.788 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc(C(N)=O)cc3)c2)c1 ZINC000125720463 947500263 /nfs/dbraw/zinc/50/02/63/947500263.db2.gz DMZLHSBDMGMCFV-UHFFFAOYSA-N 1 0 371.440 3.526 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291056 947712163 /nfs/dbraw/zinc/71/21/63/947712163.db2.gz NSUIFDBAYNTEOT-GOSISDBHSA-N 1 0 373.566 3.615 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662312671 947738615 /nfs/dbraw/zinc/73/86/15/947738615.db2.gz YPCOHKDHEZOUGH-UIFIKXQLSA-N 1 0 374.550 3.544 20 30 FHEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cc(Cl)cc2c1OCC2 ZINC000897338264 947738763 /nfs/dbraw/zinc/73/87/63/947738763.db2.gz MOUDRBSKQMSHIV-LBPRGKRZSA-N 1 0 352.825 3.645 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189606754 947782223 /nfs/dbraw/zinc/78/22/23/947782223.db2.gz WLOCUHVEUSEXIT-FUHWJXTLSA-N 1 0 370.415 3.942 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)CCC[NH2+]1 ZINC000662453481 947824301 /nfs/dbraw/zinc/82/43/01/947824301.db2.gz AOLKGWFCLMDQRR-LJQANCHMSA-N 1 0 357.479 3.764 20 30 FHEDRO Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001126243842 947840204 /nfs/dbraw/zinc/84/02/04/947840204.db2.gz OPPPUYPYQVLJMK-WIYYLYMNSA-N 1 0 361.489 3.992 20 30 FHEDRO Cc1ccc(C#N)cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001126243840 947840829 /nfs/dbraw/zinc/84/08/29/947840829.db2.gz OPPPUYPYQVLJMK-NQIIRXRSSA-N 1 0 361.489 3.992 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)CCC[NH2+]1 ZINC000662483925 947853897 /nfs/dbraw/zinc/85/38/97/947853897.db2.gz ZYLMBLZOSQBFTA-SFHVURJKSA-N 1 0 361.442 3.595 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)CCC[NH2+]1 ZINC000662501803 947872555 /nfs/dbraw/zinc/87/25/55/947872555.db2.gz FLEPCUPQFRIBNQ-IIBYNOLFSA-N 1 0 360.498 3.606 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)CCC[NH2+]1 ZINC000662531527 947898877 /nfs/dbraw/zinc/89/88/77/947898877.db2.gz GQUSCPRIVICFSM-YWZLYKJASA-N 1 0 355.507 3.994 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCSCc2ccccc2C#N)C[C@H]1C ZINC000248402668 947901433 /nfs/dbraw/zinc/90/14/33/947901433.db2.gz VTBAOIBWYGXPMP-ATZDWAIDSA-N 1 0 360.523 3.749 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520478726 947905624 /nfs/dbraw/zinc/90/56/24/947905624.db2.gz JTUUXFOSBXWBLQ-KDURUIRLSA-N 1 0 370.541 3.846 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCC[NH2+]1 ZINC000662567165 947907965 /nfs/dbraw/zinc/90/79/65/947907965.db2.gz BUWJWQUJRBQYKR-WMZOPIPTSA-N 1 0 369.292 3.592 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CCC[NH2+]1 ZINC000662664474 947967166 /nfs/dbraw/zinc/96/71/66/947967166.db2.gz YCKNDEOSZZIRGQ-MGPUTAFESA-N 1 0 355.507 3.701 20 30 FHEDRO N#Cc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c([N+](=O)[O-])s1 ZINC000893598045 947971192 /nfs/dbraw/zinc/97/11/92/947971192.db2.gz RKTYDTSNCVMMNC-UHFFFAOYSA-N 1 0 374.388 3.745 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CCC[NH2+]1 ZINC000662697665 947988679 /nfs/dbraw/zinc/98/86/79/947988679.db2.gz AAKFDABHVDJZCH-FQEVSTJZSA-N 1 0 371.868 3.951 20 30 FHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000278888717 948000415 /nfs/dbraw/zinc/00/04/15/948000415.db2.gz ONWWZTUFKJJNGP-UZLBHIALSA-N 1 0 365.452 3.822 20 30 FHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000278888713 948000793 /nfs/dbraw/zinc/00/07/93/948000793.db2.gz ONWWZTUFKJJNGP-OXQOHEQNSA-N 1 0 365.452 3.822 20 30 FHEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c(OC(F)F)c1 ZINC000549613108 948023253 /nfs/dbraw/zinc/02/32/53/948023253.db2.gz KQHZXFDSSSSBST-LJQANCHMSA-N 1 0 372.415 3.933 20 30 FHEDRO N#Cc1cc(NC(=O)c2ccc(-n3ccnc3)cc2)ccc1OC(F)(F)F ZINC000441520258 948194038 /nfs/dbraw/zinc/19/40/38/948194038.db2.gz CEXNPEDMUKMDQM-UHFFFAOYSA-N 1 0 372.306 3.895 20 30 FHEDRO C=CCN1CCC([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000512017998 948199826 /nfs/dbraw/zinc/19/98/26/948199826.db2.gz XEUGIYNZUAIVQR-UHFFFAOYSA-N 1 0 364.415 3.631 20 30 FHEDRO CC1CC[NH+](CCc2cccc(NC(=O)NCC3(CC#N)CC3)c2)CC1 ZINC000432357858 948209992 /nfs/dbraw/zinc/20/99/92/948209992.db2.gz NHDQNINOLTYZNK-UHFFFAOYSA-N 1 0 354.498 3.776 20 30 FHEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@H]1c1ccccc1 ZINC000585717088 948231445 /nfs/dbraw/zinc/23/14/45/948231445.db2.gz MZJLKFFUKREOQO-RBUKOAKNSA-N 1 0 370.294 3.856 20 30 FHEDRO C[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000520533995 948241311 /nfs/dbraw/zinc/24/13/11/948241311.db2.gz QXDDETOHGRXLTO-NQIIRXRSSA-N 1 0 368.525 3.602 20 30 FHEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)COC ZINC000663583204 948251116 /nfs/dbraw/zinc/25/11/16/948251116.db2.gz REXHEXYIYDEVPR-RTBURBONSA-N 1 0 373.541 3.651 20 30 FHEDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000585755437 948267608 /nfs/dbraw/zinc/26/76/08/948267608.db2.gz UHOGCJNJNRRZHJ-DYESRHJHSA-N 1 0 364.489 3.998 20 30 FHEDRO N#Cc1cscc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000432393771 948317110 /nfs/dbraw/zinc/31/71/10/948317110.db2.gz HBVNVOIJKPILBI-UHFFFAOYSA-N 1 0 353.491 3.926 20 30 FHEDRO CN1CCCC[C@@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000609548055 948346931 /nfs/dbraw/zinc/34/69/31/948346931.db2.gz QJYKAYDSBQPEBC-OAQYLSRUSA-N 1 0 363.461 3.754 20 30 FHEDRO CC(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[NH+](C)C ZINC000106917148 948347223 /nfs/dbraw/zinc/34/72/23/948347223.db2.gz HIHGQVFVDFRXLB-FQEVSTJZSA-N 1 0 369.440 3.801 20 30 FHEDRO CC(C)[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[NH+](C)C ZINC000106916998 948347558 /nfs/dbraw/zinc/34/75/58/948347558.db2.gz PADZFLDXJZBRBR-FQEVSTJZSA-N 1 0 351.450 3.662 20 30 FHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C[C@H](C)O)C(C)C)c1C#N ZINC000107041502 948388310 /nfs/dbraw/zinc/38/83/10/948388310.db2.gz SJXANHZWEWSTAZ-HNNXBMFYSA-N 1 0 374.529 3.512 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@H]1C(F)(F)F ZINC000895090778 948415385 /nfs/dbraw/zinc/41/53/85/948415385.db2.gz PGGFBISDAHMANZ-GVDBMIGSSA-N 1 0 368.399 3.753 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000190676059 948444457 /nfs/dbraw/zinc/44/44/57/948444457.db2.gz CHQWNJOSUQQLEF-SFHVURJKSA-N 1 0 369.431 3.671 20 30 FHEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1COc2ccccc21 ZINC000182073068 948493750 /nfs/dbraw/zinc/49/37/50/948493750.db2.gz ZKKDVNNKHFFLKP-JTSKRJEESA-N 1 0 361.489 3.677 20 30 FHEDRO CC(C)(C)c1ccc(-c2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)c(C#N)c1 ZINC001211701228 948571238 /nfs/dbraw/zinc/57/12/38/948571238.db2.gz OFOUVTRMTFZWPJ-FUCXHRTASA-N 1 0 350.466 3.979 20 30 FHEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000090106663 948619091 /nfs/dbraw/zinc/61/90/91/948619091.db2.gz ODLYQNIZFMVULD-CQSZACIVSA-N 1 0 367.840 3.522 20 30 FHEDRO C=C(C)Cn1c(CCCC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549634490 948678082 /nfs/dbraw/zinc/67/80/82/948678082.db2.gz ONYRUSVFEXAJHU-IEBWSBKVSA-N 1 0 357.546 3.650 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccccc3OC(F)F)CC2)cc1 ZINC000025934044 948718106 /nfs/dbraw/zinc/71/81/06/948718106.db2.gz ACEUYTNSRLHOKC-UHFFFAOYSA-N 1 0 371.431 3.868 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536477121 948722373 /nfs/dbraw/zinc/72/23/73/948722373.db2.gz OOKMYZJRAABVAC-UHFFFAOYSA-N 1 0 373.500 3.995 20 30 FHEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000549638704 948771947 /nfs/dbraw/zinc/77/19/47/948771947.db2.gz ANJFETAQKZMXJP-IBGZPJMESA-N 1 0 357.546 3.652 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000843692674 948773763 /nfs/dbraw/zinc/77/37/63/948773763.db2.gz FABZMXWNGGBSKI-UHFFFAOYSA-N 1 0 360.763 3.522 20 30 FHEDRO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(C#N)cc1Cl ZINC000366005432 567835863 /nfs/dbraw/zinc/83/58/63/567835863.db2.gz CVRYBWXJOVDKPY-TXDAXLQXSA-N 1 0 361.917 3.752 20 30 FHEDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000601935053 567880175 /nfs/dbraw/zinc/88/01/75/567880175.db2.gz OUGKCZBUIITZMN-OLZOCXBDSA-N 1 0 360.458 3.577 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967531 567889523 /nfs/dbraw/zinc/88/95/23/567889523.db2.gz GXMQPBNYIRNYPQ-VHSXEESVSA-N 1 0 353.253 3.575 20 30 FHEDRO N#CCCCCC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602176509 567941853 /nfs/dbraw/zinc/94/18/53/567941853.db2.gz IKIDTNLUHPAWMN-UHFFFAOYSA-N 1 0 353.510 3.975 20 30 FHEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602515767 567986648 /nfs/dbraw/zinc/98/66/48/567986648.db2.gz ZGGBUYFKUJXVHP-KRWDZBQOSA-N 1 0 366.509 3.737 20 30 FHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000602525043 567987689 /nfs/dbraw/zinc/98/76/89/567987689.db2.gz QBGUFQMXCULXJH-QGZVFWFLSA-N 1 0 351.853 3.629 20 30 FHEDRO COc1ccc(Br)c(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602530229 567988249 /nfs/dbraw/zinc/98/82/49/567988249.db2.gz TXWFLFHQRQHQKU-CYBMUJFWSA-N 1 0 367.287 3.646 20 30 FHEDRO N#CC1CCC([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000602531251 567988367 /nfs/dbraw/zinc/98/83/67/567988367.db2.gz UXINJYLDJLLOJO-CKDBGZEDSA-N 1 0 362.315 3.947 20 30 FHEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)c1cccc(OC)c1 ZINC000602503237 567988492 /nfs/dbraw/zinc/98/84/92/567988492.db2.gz PCVSYDZKHPSAGS-NQIIRXRSSA-N 1 0 373.541 3.767 20 30 FHEDRO COc1cccc([C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N2CCCC2)c1 ZINC000602505252 567988634 /nfs/dbraw/zinc/98/86/34/567988634.db2.gz YFBCGWPTTGDGBO-RXVVDRJESA-N 1 0 371.525 3.521 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000602549822 567990561 /nfs/dbraw/zinc/99/05/61/567990561.db2.gz FTHPLISAOXZHRN-ZIFCJYIRSA-N 1 0 361.555 3.820 20 30 FHEDRO CCOc1cc(CCC[NH2+][C@H](C)CC2(C#N)CCOCC2)ccc1OC ZINC000602556647 567991274 /nfs/dbraw/zinc/99/12/74/567991274.db2.gz KXNITPVQRIDLKT-QGZVFWFLSA-N 1 0 360.498 3.715 20 30 FHEDRO C=C(C)[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc(F)c(F)c1 ZINC000186843785 567991483 /nfs/dbraw/zinc/99/14/83/567991483.db2.gz LULLCGUFROMUJJ-KRWDZBQOSA-N 1 0 351.441 3.708 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000602539955 567992877 /nfs/dbraw/zinc/99/28/77/567992877.db2.gz NNWOTADFCIDYEO-SFHVURJKSA-N 1 0 372.509 3.571 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000602580372 567993606 /nfs/dbraw/zinc/99/36/06/567993606.db2.gz ACBNOVLMRRIMLY-GTPINHCMSA-N 1 0 350.503 3.575 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000602580883 567993667 /nfs/dbraw/zinc/99/36/67/567993667.db2.gz IPAGNDGVJHHOIE-MRXNPFEDSA-N 1 0 358.482 3.830 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000602587439 567994487 /nfs/dbraw/zinc/99/44/87/567994487.db2.gz GTQNOLMLHSCZLJ-UZLBHIALSA-N 1 0 356.491 3.709 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000602598128 568000005 /nfs/dbraw/zinc/00/00/05/568000005.db2.gz BTLSQYUYUGPIPO-CABCVRRESA-N 1 0 365.880 3.746 20 30 FHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000602599899 568000463 /nfs/dbraw/zinc/00/04/63/568000463.db2.gz TTWSELAJVCGHIN-WBVHZDCISA-N 1 0 357.502 3.658 20 30 FHEDRO C[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)C[C@H](C)N1CC#N ZINC000602858097 568002916 /nfs/dbraw/zinc/00/29/16/568002916.db2.gz ZAGFEISAYNJIII-BGYRXZFFSA-N 1 0 363.505 3.711 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]Cc1c(Br)cncc1Br ZINC000602671971 568008170 /nfs/dbraw/zinc/00/81/70/568008170.db2.gz AUFZQJXVHYWCLK-SECBINFHSA-N 1 0 361.081 3.636 20 30 FHEDRO COC[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000602674147 568008665 /nfs/dbraw/zinc/00/86/65/568008665.db2.gz FMJULPCUDRHHAV-RDJZCZTQSA-N 1 0 350.890 3.759 20 30 FHEDRO CC(C)Oc1ccc([C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N(C)C)cc1 ZINC000602662932 568012820 /nfs/dbraw/zinc/01/28/20/568012820.db2.gz CEYWMDDLOMOAIA-GHTZIAJQSA-N 1 0 373.541 3.765 20 30 FHEDRO Cc1ccc(Br)c(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602692243 568015412 /nfs/dbraw/zinc/01/54/12/568015412.db2.gz WUDDMECNUPGNCG-AWEZNQCLSA-N 1 0 351.288 3.946 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481530650 568015537 /nfs/dbraw/zinc/01/55/37/568015537.db2.gz SKYHKVLRESRGTM-JLTOFOAXSA-N 1 0 374.868 3.965 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000602705859 568018020 /nfs/dbraw/zinc/01/80/20/568018020.db2.gz NFTTWHMVHMOLGB-IAGOWNOFSA-N 1 0 361.917 3.855 20 30 FHEDRO C[N@H+](CCCNC(=O)Nc1ncccc1OCCCC#N)C1CCCCC1 ZINC000188784663 568019456 /nfs/dbraw/zinc/01/94/56/568019456.db2.gz AOSSADKBXIBRQH-UHFFFAOYSA-N 1 0 373.501 3.540 20 30 FHEDRO COC1(c2noc(CC3CC[NH+](C[C@H](C)CCC#N)CC3)n2)CCCC1 ZINC000602716105 568020062 /nfs/dbraw/zinc/02/00/62/568020062.db2.gz SRXDKDVXGDTUGU-MRXNPFEDSA-N 1 0 360.502 3.680 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(F)c(Br)cc1F ZINC000602724587 568023644 /nfs/dbraw/zinc/02/36/44/568023644.db2.gz HUVFSZRXIWBQQU-LLVKDONJSA-N 1 0 373.241 3.916 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000481659597 568081735 /nfs/dbraw/zinc/08/17/35/568081735.db2.gz QZQIDPKLVGOXBH-LJQANCHMSA-N 1 0 354.429 3.902 20 30 FHEDRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481655006 568082068 /nfs/dbraw/zinc/08/20/68/568082068.db2.gz CLCMFFGMTOUUJI-OAQYLSRUSA-N 1 0 368.502 3.660 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000481659596 568082200 /nfs/dbraw/zinc/08/22/00/568082200.db2.gz QZQIDPKLVGOXBH-IBGZPJMESA-N 1 0 354.429 3.902 20 30 FHEDRO Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2cccc(F)c2n1 ZINC000481704621 568091642 /nfs/dbraw/zinc/09/16/42/568091642.db2.gz VJWKGZTWJLHTNN-UHFFFAOYSA-N 1 0 360.436 3.876 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000603557414 568116885 /nfs/dbraw/zinc/11/68/85/568116885.db2.gz RSYCWCGJJPYWRW-CTNGQTDRSA-N 1 0 370.880 3.983 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000568742918 568146380 /nfs/dbraw/zinc/14/63/80/568146380.db2.gz ZVPQMNIDZDUAKC-PZJWPPBQSA-N 1 0 368.502 3.505 20 30 FHEDRO CC1(C)C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000330296139 568150716 /nfs/dbraw/zinc/15/07/16/568150716.db2.gz JXKPOYQRTPTFMF-LJQANCHMSA-N 1 0 371.525 3.558 20 30 FHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC000568754160 568180268 /nfs/dbraw/zinc/18/02/68/568180268.db2.gz DUECMXJUQUDLQG-CTNGQTDRSA-N 1 0 368.502 3.505 20 30 FHEDRO CC(C)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000568755019 568180523 /nfs/dbraw/zinc/18/05/23/568180523.db2.gz YFGQQTPDHYONBC-NHCUHLMSSA-N 1 0 368.502 3.806 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000481914452 568182099 /nfs/dbraw/zinc/18/20/99/568182099.db2.gz ALELXHPJYDNPPK-NRFANRHFSA-N 1 0 353.510 3.560 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000481916155 568182597 /nfs/dbraw/zinc/18/25/97/568182597.db2.gz WZVRRHXMDMTECW-FQEVSTJZSA-N 1 0 363.461 3.813 20 30 FHEDRO CN(C(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000604017670 568199422 /nfs/dbraw/zinc/19/94/22/568199422.db2.gz RXQKRINWKPETSL-IBGZPJMESA-N 1 0 357.473 3.517 20 30 FHEDRO N#Cc1ccc(CN2CCC(N3CCc4cc(F)ccc43)CC2)c(F)c1 ZINC000568783644 568210628 /nfs/dbraw/zinc/21/06/28/568210628.db2.gz BMDCQIICSSNZDW-UHFFFAOYSA-N 1 0 353.416 3.864 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+][C@@H]3CC[C@@H](c4cccc(Cl)c4)C3)cnc12 ZINC000568885543 568248087 /nfs/dbraw/zinc/24/80/87/568248087.db2.gz XJVDYQUDGUVUBB-CRAIPNDOSA-N 1 0 351.841 3.680 20 30 FHEDRO COc1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2OC)c(C)c1OC ZINC000568916367 568252127 /nfs/dbraw/zinc/25/21/27/568252127.db2.gz WLIMYPHCVQSEME-HNNXBMFYSA-N 1 0 370.449 3.622 20 30 FHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000150856029 568275023 /nfs/dbraw/zinc/27/50/23/568275023.db2.gz XQCGKDIBXTYWEY-UHFFFAOYSA-N 1 0 366.412 3.594 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000604468277 568297516 /nfs/dbraw/zinc/29/75/16/568297516.db2.gz BLVQYMIPZAKTPZ-CMTMISNYSA-N 1 0 368.521 3.687 20 30 FHEDRO CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604501429 568301837 /nfs/dbraw/zinc/30/18/37/568301837.db2.gz NTBZDCJPLBEGED-LJQANCHMSA-N 1 0 358.869 3.668 20 30 FHEDRO CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604503381 568302170 /nfs/dbraw/zinc/30/21/70/568302170.db2.gz ISTUKNKIWHIJAK-HXUWFJFHSA-N 1 0 356.441 3.544 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000482228759 568404368 /nfs/dbraw/zinc/40/43/68/568404368.db2.gz CIIUVCZCOZCWBQ-IBGZPJMESA-N 1 0 370.541 3.848 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000569516100 568404653 /nfs/dbraw/zinc/40/46/53/568404653.db2.gz BPVOLRFAIFGJPA-CZUORRHYSA-N 1 0 353.491 3.780 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000569516098 568404657 /nfs/dbraw/zinc/40/46/57/568404657.db2.gz BPVOLRFAIFGJPA-BBRMVZONSA-N 1 0 353.491 3.780 20 30 FHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(C#N)ccn2)cc1 ZINC000570027529 568441931 /nfs/dbraw/zinc/44/19/31/568441931.db2.gz VACWEOJMMTZUSO-UHFFFAOYSA-N 1 0 370.456 3.612 20 30 FHEDRO CC[C@H]([NH2+]C[C@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000570324099 568469686 /nfs/dbraw/zinc/46/96/86/568469686.db2.gz UWXQVCYFDWATIR-SIKLNZKXSA-N 1 0 368.477 3.610 20 30 FHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000570569330 568487743 /nfs/dbraw/zinc/48/77/43/568487743.db2.gz OEHFIZHXTAMWLD-KBPBESRZSA-N 1 0 368.437 3.606 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3[C@@H]4c5ccccc5C[C@H]34)CC2)cc1 ZINC000182027162 568558483 /nfs/dbraw/zinc/55/84/83/568558483.db2.gz MYXNGOVHBBQLFX-WXFUMESZSA-N 1 0 357.501 3.698 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542013490 568651697 /nfs/dbraw/zinc/65/16/97/568651697.db2.gz GWHOACGEKRZFMV-AWEZNQCLSA-N 1 0 362.458 3.971 20 30 FHEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)c1 ZINC000277848753 571327723 /nfs/dbraw/zinc/32/77/23/571327723.db2.gz SPMXWMRYJMMOFK-GFCCVEGCSA-N 1 0 352.335 3.819 20 30 FHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000819729994 607000233 /nfs/dbraw/zinc/00/02/33/607000233.db2.gz PAKHPTGFQBSKPY-CQSZACIVSA-N 1 0 369.856 3.849 20 30 FHEDRO N#CCC[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826381290 608525033 /nfs/dbraw/zinc/52/50/33/608525033.db2.gz FYBVWKJUPKLJSU-WOJBJXKFSA-N 1 0 358.449 3.879 20 30 FHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164419184 718891425 /nfs/dbraw/zinc/89/14/25/718891425.db2.gz QMXQSVMXJXJCJH-HNNXBMFYSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@@H]43)cnc2Cl)cc1 ZINC001164448370 719003512 /nfs/dbraw/zinc/00/35/12/719003512.db2.gz HQHOJAHJICAFAS-SJORKVTESA-N 1 0 374.822 3.759 20 30 FHEDRO CC(C)C[NH+]1CCN(c2cnc(Cl)nc2Oc2ccc(C#N)cc2)CC1 ZINC001164657639 719340195 /nfs/dbraw/zinc/34/01/95/719340195.db2.gz VQXIIDXLUFIVBX-UHFFFAOYSA-N 1 0 371.872 3.572 20 30 FHEDRO N#Cc1cc(C(F)(F)N2CCCC[C@@H]2CC[NH+]2CCCC2)cnc1Cl ZINC001165049422 721970593 /nfs/dbraw/zinc/97/05/93/721970593.db2.gz SOUDYMACKSMLEP-MRXNPFEDSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046262 721971505 /nfs/dbraw/zinc/97/15/05/721971505.db2.gz CFCIMFWZLHTGMZ-HNNXBMFYSA-N 1 0 368.859 3.996 20 30 FHEDRO Cc1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C#N)c1 ZINC001164993170 722193470 /nfs/dbraw/zinc/19/34/70/722193470.db2.gz CGGWFXCSCXMUCR-NRFANRHFSA-N 1 0 350.441 3.646 20 30 FHEDRO N#Cc1c(Cl)ccnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994638 722196385 /nfs/dbraw/zinc/19/63/85/722196385.db2.gz ONXHYBMAOGCVIW-HXUWFJFHSA-N 1 0 370.859 3.991 20 30 FHEDRO CN(Cc1ccc(C#N)cc1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000161988159 936333951 /nfs/dbraw/zinc/33/39/51/936333951.db2.gz ROUDULMJQVEXTK-UHFFFAOYSA-N 1 0 361.489 3.819 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)c2sccc2C#N)c2ccccc2)CC1 ZINC000052050251 936365692 /nfs/dbraw/zinc/36/56/92/936365692.db2.gz KBNPCQRFIFTTIM-GOSISDBHSA-N 1 0 353.491 3.823 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507241583 945067855 /nfs/dbraw/zinc/06/78/55/945067855.db2.gz ALJZTBWSQFVKHC-NWDGAFQWSA-N 1 0 367.840 3.766 20 30 FHEDRO CN(CC(C)(C)C#N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000458397721 937158304 /nfs/dbraw/zinc/15/83/04/937158304.db2.gz XMGKXPNORPLCQZ-UHFFFAOYSA-N 1 0 356.514 3.754 20 30 FHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 ZINC000430171507 927510945 /nfs/dbraw/zinc/51/09/45/927510945.db2.gz WFZXFVRVRHTQPE-LBTNJELSSA-N 1 0 351.416 3.739 20 30 FHEDRO C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(CC)[nH]c(=O)c1)C2 ZINC001112472565 927516330 /nfs/dbraw/zinc/51/63/30/927516330.db2.gz AZYWDFQZYWZGPG-NRJQMVOHSA-N 1 0 371.525 3.536 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C1(CC)CC ZINC000187054957 927876553 /nfs/dbraw/zinc/87/65/53/927876553.db2.gz HNGABZNXYMVBQB-DLBZAZTESA-N 1 0 354.454 3.682 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000187055289 927877612 /nfs/dbraw/zinc/87/76/12/927877612.db2.gz UOCPTAXNGAFUBC-GOSISDBHSA-N 1 0 373.500 3.932 20 30 FHEDRO C[C@H]1C[C@H](CCNC(=O)c2cc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000510085199 927971599 /nfs/dbraw/zinc/97/15/99/927971599.db2.gz LSAGRFCDRNDOEL-RDJZCZTQSA-N 1 0 353.491 3.650 20 30 FHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178804924 937208316 /nfs/dbraw/zinc/20/83/16/937208316.db2.gz XFRSOVCGGZAENS-SJLPKXTDSA-N 1 0 369.513 3.595 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000187145800 927976263 /nfs/dbraw/zinc/97/62/63/927976263.db2.gz MNGYVDRKAHQYDS-MRXNPFEDSA-N 1 0 354.498 3.716 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc2c(c1)CCCC2 ZINC000023677249 928038156 /nfs/dbraw/zinc/03/81/56/928038156.db2.gz LQJBRPIJZILGPF-JTSKRJEESA-N 1 0 364.489 3.722 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000583184249 937217748 /nfs/dbraw/zinc/21/77/48/937217748.db2.gz XHZMZQDPXKBCTC-JOCHJYFZSA-N 1 0 351.494 3.550 20 30 FHEDRO C=C1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000520848986 928128025 /nfs/dbraw/zinc/12/80/25/928128025.db2.gz CNHWIYASDXAPDO-UHFFFAOYSA-N 1 0 357.235 3.712 20 30 FHEDRO C[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@H]1c1ccccc1 ZINC000610216098 928171069 /nfs/dbraw/zinc/17/10/69/928171069.db2.gz LHALPJWTZJQHHI-AZUAARDMSA-N 1 0 353.510 3.797 20 30 FHEDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC[C@H]1c1ccccc1 ZINC000610216773 928214410 /nfs/dbraw/zinc/21/44/10/928214410.db2.gz RVCLGTYAICZVRF-JMUQELJHSA-N 1 0 364.489 3.618 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000510097608 928235335 /nfs/dbraw/zinc/23/53/35/928235335.db2.gz BVOQWHWGOXQOMP-HXUWFJFHSA-N 1 0 367.493 3.857 20 30 FHEDRO N#Cc1ccc(-c2ccncc2)nc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167072332 928269561 /nfs/dbraw/zinc/26/95/61/928269561.db2.gz ZAIIYOCOACPEHY-UHFFFAOYSA-N 1 0 367.456 3.788 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1 ZINC000579834096 928330766 /nfs/dbraw/zinc/33/07/66/928330766.db2.gz PGOLLBGHZWRLMU-NHCUHLMSSA-N 1 0 362.477 3.689 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2cccc(F)c2o1 ZINC000610228772 928371324 /nfs/dbraw/zinc/37/13/24/928371324.db2.gz XOFGIYZFCIFFHC-UHFFFAOYSA-N 1 0 365.408 3.648 20 30 FHEDRO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000471164116 928373507 /nfs/dbraw/zinc/37/35/07/928373507.db2.gz BZLCKGYWNFTDGT-FQEVSTJZSA-N 1 0 373.460 3.709 20 30 FHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H]2c2ccccc2)sc2c1CCC2 ZINC000471177858 928608561 /nfs/dbraw/zinc/60/85/61/928608561.db2.gz RYLGVMFWSGGHGG-KRWDZBQOSA-N 1 0 351.475 3.884 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000125012160 937276718 /nfs/dbraw/zinc/27/67/18/937276718.db2.gz VQOYKWNMXIBWNE-NUJGCVRESA-N 1 0 372.538 3.886 20 30 FHEDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000155104033 937284155 /nfs/dbraw/zinc/28/41/55/937284155.db2.gz RXLYEEORCZEJKG-MRXNPFEDSA-N 1 0 354.498 3.968 20 30 FHEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000179748699 928959107 /nfs/dbraw/zinc/95/91/07/928959107.db2.gz NSGMSGQVMOVCCU-UHFFFAOYSA-N 1 0 364.489 3.780 20 30 FHEDRO N#Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000048216871 929463069 /nfs/dbraw/zinc/46/30/69/929463069.db2.gz ADCCZKNZTRVMFV-UHFFFAOYSA-N 1 0 362.477 3.544 20 30 FHEDRO CCc1cccc[n+]1C(C(=O)c1nccs1)C(=S)NC1CCCCC1 ZINC000278197629 937339499 /nfs/dbraw/zinc/33/94/99/937339499.db2.gz GSKWCUWYKJKZJI-UHFFFAOYSA-O 1 0 374.555 3.854 20 30 FHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000547976132 929686664 /nfs/dbraw/zinc/68/66/64/929686664.db2.gz ZLZKHFDRYMIRMY-UHFFFAOYSA-N 1 0 355.869 3.982 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000023677096 929692192 /nfs/dbraw/zinc/69/21/92/929692192.db2.gz PKJRIONZGVWXNS-HRAATJIYSA-N 1 0 350.462 3.528 20 30 FHEDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)cc1 ZINC000023678090 929692812 /nfs/dbraw/zinc/69/28/12/929692812.db2.gz XUXYCSDHYTWZEH-CTNGQTDRSA-N 1 0 356.441 3.618 20 30 FHEDRO N#Cc1c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cn2ccccc12 ZINC000175835077 929849932 /nfs/dbraw/zinc/84/99/32/929849932.db2.gz SZHQQOHFYDMWTR-APWZRJJASA-N 1 0 351.475 3.961 20 30 FHEDRO CCCn1nc(C)c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1C ZINC000134103728 930039004 /nfs/dbraw/zinc/03/90/04/930039004.db2.gz FKJNIRJLEYPTRS-GOSISDBHSA-N 1 0 369.488 3.679 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1)c1cccc(C#N)c1 ZINC000610343978 930041956 /nfs/dbraw/zinc/04/19/56/930041956.db2.gz XQTJFRXXPWCVTO-OLZOCXBDSA-N 1 0 350.447 3.846 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610343492 930044440 /nfs/dbraw/zinc/04/44/40/930044440.db2.gz JIYUJIVKDVZZQU-JKSUJKDBSA-N 1 0 353.491 3.874 20 30 FHEDRO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@H](C)c3cccc(C#N)c3)C2=O)c1 ZINC000610346193 930046380 /nfs/dbraw/zinc/04/63/80/930046380.db2.gz NTMBOKDSQCEKJP-BEFAXECRSA-N 1 0 351.425 3.852 20 30 FHEDRO C[N@H+](CCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CCCCC1 ZINC000548064637 930267911 /nfs/dbraw/zinc/26/79/11/930267911.db2.gz QVEQOYLPQRASMC-LEWJYISDSA-N 1 0 353.510 3.939 20 30 FHEDRO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2CCC(CCC#N)CC2)cc1 ZINC000580187857 930341316 /nfs/dbraw/zinc/34/13/16/930341316.db2.gz FLGOFWKPUZUQDT-INIZCTEOSA-N 1 0 371.481 3.595 20 30 FHEDRO C[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000610407155 930403746 /nfs/dbraw/zinc/40/37/46/930403746.db2.gz UYOIVYPLBKHZCN-QGZVFWFLSA-N 1 0 354.498 3.527 20 30 FHEDRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000583404635 937413017 /nfs/dbraw/zinc/41/30/17/937413017.db2.gz DOZRXJWUDIZDNO-NRFANRHFSA-N 1 0 357.856 3.758 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OC ZINC000047827162 930517861 /nfs/dbraw/zinc/51/78/61/930517861.db2.gz WTAVTEZGHFXICU-HNNXBMFYSA-N 1 0 366.461 3.996 20 30 FHEDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000583420647 937429970 /nfs/dbraw/zinc/42/99/70/937429970.db2.gz QMQMEARMMYKUCJ-UHFFFAOYSA-N 1 0 358.485 3.691 20 30 FHEDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCC(c2ncc[nH]2)CC1 ZINC000328719560 930577529 /nfs/dbraw/zinc/57/75/29/930577529.db2.gz VQSARWBZOCJDQE-UHFFFAOYSA-N 1 0 373.545 3.692 20 30 FHEDRO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328729461 930663359 /nfs/dbraw/zinc/66/33/59/930663359.db2.gz HIZZDRBDPZFGIF-UYKLPWQDSA-N 1 0 364.555 3.897 20 30 FHEDRO CN1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580486255 930744989 /nfs/dbraw/zinc/74/49/89/930744989.db2.gz WJRUPWHGZVBJTP-VQTJNVASSA-N 1 0 373.859 3.765 20 30 FHEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@H](COc2ccccc2)c2ccccc2)c1 ZINC000537115178 930818772 /nfs/dbraw/zinc/81/87/72/930818772.db2.gz HQJUSYQECPJLFF-QFIPXVFZSA-N 1 0 371.440 3.907 20 30 FHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000177790808 930850708 /nfs/dbraw/zinc/85/07/08/930850708.db2.gz BUKMSHNQAOEJGL-SFHVURJKSA-N 1 0 368.506 3.549 20 30 FHEDRO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000319781479 930858017 /nfs/dbraw/zinc/85/80/17/930858017.db2.gz GURXSWBLKZCSIL-LBPRGKRZSA-N 1 0 373.250 3.943 20 30 FHEDRO N#CCc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000580625912 930939328 /nfs/dbraw/zinc/93/93/28/930939328.db2.gz ISTPLJCMFMOENN-SFHVURJKSA-N 1 0 369.415 3.849 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175840294 931089995 /nfs/dbraw/zinc/08/99/95/931089995.db2.gz CZXNJTPPXXZBLG-WMZOPIPTSA-N 1 0 369.490 3.536 20 30 FHEDRO Cc1csc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1C#N ZINC000579849043 931114549 /nfs/dbraw/zinc/11/45/49/931114549.db2.gz GZSCRBAFFBFJCJ-FUHWJXTLSA-N 1 0 366.490 3.666 20 30 FHEDRO COc1cccc(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160650733 931190758 /nfs/dbraw/zinc/19/07/58/931190758.db2.gz PFHOHSVSLMVNDP-UHFFFAOYSA-N 1 0 353.344 3.563 20 30 FHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001167442511 931464206 /nfs/dbraw/zinc/46/42/06/931464206.db2.gz FMIGQUVIXNMFAY-RTBURBONSA-N 1 0 357.498 3.802 20 30 FHEDRO C=CCn1c(-c2sccc2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000581041045 931514981 /nfs/dbraw/zinc/51/49/81/931514981.db2.gz ZCFPLVVTBWUQJK-UHFFFAOYSA-N 1 0 359.543 3.812 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1ccsc1 ZINC000042346505 931535785 /nfs/dbraw/zinc/53/57/85/931535785.db2.gz UTVJDDDFKKWMQS-LJQANCHMSA-N 1 0 370.522 3.844 20 30 FHEDRO COc1ccc(C[NH2+]Cc2cccc(NC(C)=O)c2)cc1OCCCC#N ZINC000064614005 931542777 /nfs/dbraw/zinc/54/27/77/931542777.db2.gz FSJQPAIMIRDRJH-UHFFFAOYSA-N 1 0 367.449 3.626 20 30 FHEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000588397737 931584838 /nfs/dbraw/zinc/58/48/38/931584838.db2.gz ALQAXTNKYXKZSW-MRXNPFEDSA-N 1 0 369.421 3.852 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CO)c1ccc(CC)cc1 ZINC000581136958 931611973 /nfs/dbraw/zinc/61/19/73/931611973.db2.gz IVADYSOMVIOJFF-IBGZPJMESA-N 1 0 370.518 3.789 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 ZINC000581290757 931794611 /nfs/dbraw/zinc/79/46/11/931794611.db2.gz RPILBEONHKRDEW-UHFFFAOYSA-N 1 0 371.868 3.908 20 30 FHEDRO N#Cc1ccc([C@H]([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C(N)=O)cc1 ZINC000581300578 931800976 /nfs/dbraw/zinc/80/09/76/931800976.db2.gz VPDBAZVVHDIBQH-UHOSZYNNSA-N 1 0 353.853 3.664 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000126416590 931812753 /nfs/dbraw/zinc/81/27/53/931812753.db2.gz NHSYYLKBICYNKL-DLBZAZTESA-N 1 0 362.477 3.836 20 30 FHEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000610503721 932007196 /nfs/dbraw/zinc/00/71/96/932007196.db2.gz SPVOYVXJFYYNFM-OAQYLSRUSA-N 1 0 362.477 3.536 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)Nc3ccc(CC#N)cc3)CC2)CC1 ZINC000156259791 932212538 /nfs/dbraw/zinc/21/25/38/932212538.db2.gz OKZUZYQZGMLHLX-UHFFFAOYSA-N 1 0 354.498 3.917 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)s1 ZINC000610511474 932264903 /nfs/dbraw/zinc/26/49/03/932264903.db2.gz KDZMHJWNDDYBDI-OAHLLOKOSA-N 1 0 365.380 3.534 20 30 FHEDRO Cc1[nH]c2c(cc(C)cc2CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000328800353 932271558 /nfs/dbraw/zinc/27/15/58/932271558.db2.gz IGHKTNBWZPPKAF-MOPGFXCFSA-N 1 0 354.498 3.724 20 30 FHEDRO C[NH+]=C(NCc1csc(-c2ccccc2)n1)NCc1nc(C)c(C)s1 ZINC000157849160 932378524 /nfs/dbraw/zinc/37/85/24/932378524.db2.gz ZFUMVPQCTWXSKV-UHFFFAOYSA-N 1 0 371.535 3.749 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255338366 932398633 /nfs/dbraw/zinc/39/86/33/932398633.db2.gz DDKZCBHWHMXAKD-QXMHVHEDSA-N 1 0 373.500 3.942 20 30 FHEDRO C=CCc1cc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc(OC)c1O ZINC000656789950 932422280 /nfs/dbraw/zinc/42/22/80/932422280.db2.gz DXGSTZHRAGEKOY-WOJBJXKFSA-N 1 0 370.468 3.504 20 30 FHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3)c(C)c2)CC1 ZINC000051157386 932481712 /nfs/dbraw/zinc/48/17/12/932481712.db2.gz QFQYIZFYHLHQCV-UHFFFAOYSA-N 1 0 363.465 3.653 20 30 FHEDRO N#Cc1ccc(CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C2CC2)cc1 ZINC000178111321 932514881 /nfs/dbraw/zinc/51/48/81/932514881.db2.gz KFHXKOCDFDLUEF-LJQANCHMSA-N 1 0 351.494 3.704 20 30 FHEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000581768889 932641508 /nfs/dbraw/zinc/64/15/08/932641508.db2.gz LSJLNMGNWILFLX-SFHVURJKSA-N 1 0 364.449 3.908 20 30 FHEDRO COc1ccc([C@@H](CNc2snc(Cl)c2C#N)[NH+]2CCCC2)cc1 ZINC000051227310 932685675 /nfs/dbraw/zinc/68/56/75/932685675.db2.gz NYRCCLOPPZDJKS-OAHLLOKOSA-N 1 0 362.886 3.926 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908681 932736025 /nfs/dbraw/zinc/73/60/25/932736025.db2.gz SMKYBCYBGFRTRV-KRWDZBQOSA-N 1 0 357.454 3.795 20 30 FHEDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1ccccc1OCC#N ZINC000891568218 932773818 /nfs/dbraw/zinc/77/38/18/932773818.db2.gz KHPSALGOCUWTFA-GOSISDBHSA-N 1 0 365.477 3.803 20 30 FHEDRO CCC1([NH3+])CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000891584483 932794159 /nfs/dbraw/zinc/79/41/59/932794159.db2.gz CQCMITVXYKCFFR-UHFFFAOYSA-N 1 0 368.506 3.700 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CC1 ZINC000328834192 932822083 /nfs/dbraw/zinc/82/20/83/932822083.db2.gz LUDSNYPXULIJFN-INIZCTEOSA-N 1 0 363.527 3.574 20 30 FHEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3csc(C#N)c3)CC2)cc1F ZINC000891615958 932846529 /nfs/dbraw/zinc/84/65/29/932846529.db2.gz ZUKAYCJZAMBUST-UHFFFAOYSA-N 1 0 371.481 3.596 20 30 FHEDRO Cn1c2ccc(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)cc2nc1C(F)F ZINC000328840133 932871595 /nfs/dbraw/zinc/87/15/95/932871595.db2.gz UKNBZOWWWWZSQI-CQSZACIVSA-N 1 0 362.424 3.832 20 30 FHEDRO Cc1cccc(OC[C@H](O)C[N@@H+](CCc2ccc(C#N)cc2)C(C)C)c1 ZINC001167488249 932901375 /nfs/dbraw/zinc/90/13/75/932901375.db2.gz XWFLGKZFJNPZIA-OAQYLSRUSA-N 1 0 352.478 3.560 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000187528258 932983577 /nfs/dbraw/zinc/98/35/77/932983577.db2.gz BZHCYJBAHNAQDS-NRFANRHFSA-N 1 0 361.489 3.789 20 30 FHEDRO C[C@@H]1CN(Cc2ccccc2NCc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000178297954 933071222 /nfs/dbraw/zinc/07/12/22/933071222.db2.gz FKLXZDKIZGBFQW-IYBDPMFKSA-N 1 0 353.441 3.919 20 30 FHEDRO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1(CC#N)CC1 ZINC000430737714 933189840 /nfs/dbraw/zinc/18/98/40/933189840.db2.gz XVPONBUEEYVHAW-ZDUSSCGKSA-N 1 0 368.262 3.896 20 30 FHEDRO N#CCC1(C[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000430770381 933223957 /nfs/dbraw/zinc/22/39/57/933223957.db2.gz QFGLKONRFHDEST-UHFFFAOYSA-N 1 0 373.092 3.577 20 30 FHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510606187 933271541 /nfs/dbraw/zinc/27/15/41/933271541.db2.gz AMNKWDPXLQNLPP-FQEVSTJZSA-N 1 0 355.526 3.920 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(SCC#N)c1 ZINC000430832008 933282114 /nfs/dbraw/zinc/28/21/14/933282114.db2.gz WVYMQRCFDGMACV-MJGOQNOKSA-N 1 0 359.539 3.933 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000430836382 933297623 /nfs/dbraw/zinc/29/76/23/933297623.db2.gz IYTFZWIDNXEACW-HKUYNNGSSA-N 1 0 359.539 3.667 20 30 FHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430880981 933355201 /nfs/dbraw/zinc/35/52/01/933355201.db2.gz WZCONULIAPARFR-LJQANCHMSA-N 1 0 350.462 3.736 20 30 FHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000610584621 933431037 /nfs/dbraw/zinc/43/10/37/933431037.db2.gz CIPXZMZWRNDLJW-CABCVRRESA-N 1 0 366.387 3.668 20 30 FHEDRO N#Cc1ccc([C@@H]([NH2+]CC2(Cc3ccccc3)CCCCC2)C(N)=O)cc1 ZINC000471882679 933452446 /nfs/dbraw/zinc/45/24/46/933452446.db2.gz XCGMVVDLFLYDFK-OAQYLSRUSA-N 1 0 361.489 3.867 20 30 FHEDRO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000562981884 933579263 /nfs/dbraw/zinc/57/92/63/933579263.db2.gz CLAGWQSXOYBRGP-TXPKVOOTSA-N 1 0 374.916 3.858 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610707812 933862519 /nfs/dbraw/zinc/86/25/19/933862519.db2.gz XLNNOLNKTQEXOE-XGHQBKJUSA-N 1 0 362.477 3.581 20 30 FHEDRO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000091890087 933912377 /nfs/dbraw/zinc/91/23/77/933912377.db2.gz QLRWUWRIRQKSND-KRWDZBQOSA-N 1 0 367.497 3.745 20 30 FHEDRO C[N@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)CC(C)(C)CCC#N ZINC000092189937 933974366 /nfs/dbraw/zinc/97/43/66/933974366.db2.gz WEJBLWBLXRPVBP-OAHLLOKOSA-N 1 0 358.404 3.707 20 30 FHEDRO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000092615424 934113719 /nfs/dbraw/zinc/11/37/19/934113719.db2.gz GLQOHCSIHFCGSW-OAHLLOKOSA-N 1 0 373.526 3.807 20 30 FHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1Cl ZINC000092705980 934140999 /nfs/dbraw/zinc/14/09/99/934140999.db2.gz IRIAEXPWABASSH-KRWDZBQOSA-N 1 0 364.917 3.889 20 30 FHEDRO C=CCc1cc(C[N@H+]2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)cc(OC)c1O ZINC000092730707 934150613 /nfs/dbraw/zinc/15/06/13/934150613.db2.gz UVRINHYGTKSHCU-VQIMIIECSA-N 1 0 374.525 3.646 20 30 FHEDRO CCN(C(=O)NCC1(CC#N)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431200849 934194302 /nfs/dbraw/zinc/19/43/02/934194302.db2.gz BFMDBUQHLRZTHE-IEBWSBKVSA-N 1 0 354.498 3.547 20 30 FHEDRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610812678 934455687 /nfs/dbraw/zinc/45/56/87/934455687.db2.gz IALFBVGUABTKCT-ZDUSSCGKSA-N 1 0 358.486 3.896 20 30 FHEDRO N#CCN1CCC([NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000610813624 934474989 /nfs/dbraw/zinc/47/49/89/934474989.db2.gz MYNWBQGLVKEPOU-OAHLLOKOSA-N 1 0 366.328 3.564 20 30 FHEDRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610813464 934476375 /nfs/dbraw/zinc/47/63/75/934476375.db2.gz IABWLYQHIXLJPV-HNNXBMFYSA-N 1 0 354.523 3.681 20 30 FHEDRO Cc1noc(C[C@@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)c2ccccc2)n1 ZINC000277115979 934495055 /nfs/dbraw/zinc/49/50/55/934495055.db2.gz NDIQLJRQWWHWAN-FOIQADDNSA-N 1 0 362.433 3.915 20 30 FHEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000121680570 934679508 /nfs/dbraw/zinc/67/95/08/934679508.db2.gz BMZXCKLJTDYKBD-UHFFFAOYSA-N 1 0 361.461 3.965 20 30 FHEDRO [NH2+]=C(NCC1(c2ccc(F)cc2)CCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262003853 934695422 /nfs/dbraw/zinc/69/54/22/934695422.db2.gz QTGKPXUUYJRMEL-UHFFFAOYSA-N 1 0 369.440 3.836 20 30 FHEDRO C=CCOc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)cc1 ZINC000458326629 934699296 /nfs/dbraw/zinc/69/92/96/934699296.db2.gz VHSLDXZEQKQOAJ-UHFFFAOYSA-N 1 0 358.413 3.583 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000181513590 934725964 /nfs/dbraw/zinc/72/59/64/934725964.db2.gz YQKHUNLFOIRKGN-QGZVFWFLSA-N 1 0 362.539 3.824 20 30 FHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1ccnc(C#N)c1 ZINC000610992260 934735112 /nfs/dbraw/zinc/73/51/12/934735112.db2.gz OSOBWVSJKVIKCF-UHFFFAOYSA-N 1 0 350.397 3.812 20 30 FHEDRO C=CCN1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236663535 934761340 /nfs/dbraw/zinc/76/13/40/934761340.db2.gz AJNUXYUHKIDFTP-UHFFFAOYSA-N 1 0 364.537 3.965 20 30 FHEDRO C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156661442 934839485 /nfs/dbraw/zinc/83/94/85/934839485.db2.gz NUUMTMKQPXMRGS-LEOXJPRUSA-N 1 0 363.505 3.577 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC=C(C(F)(F)F)CC1)C(C)C ZINC000533826974 934840749 /nfs/dbraw/zinc/84/07/49/934840749.db2.gz YXRDGRPECDZJGK-INIZCTEOSA-N 1 0 359.436 3.589 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000329030810 934919115 /nfs/dbraw/zinc/91/91/15/934919115.db2.gz WZEGCASRWUGULU-OAHLLOKOSA-N 1 0 365.543 3.772 20 30 FHEDRO C#Cc1cccc(N(C)C(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000728447940 934967908 /nfs/dbraw/zinc/96/79/08/934967908.db2.gz WGIHAPLOJYYOJJ-UHFFFAOYSA-N 1 0 363.530 3.643 20 30 FHEDRO N#CC[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000375654778 935029620 /nfs/dbraw/zinc/02/96/20/935029620.db2.gz KHQNROABHBAZOG-IFMALSPDSA-N 1 0 361.489 3.712 20 30 FHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000548627444 935051183 /nfs/dbraw/zinc/05/11/83/935051183.db2.gz MGMJXPJWDYKTGZ-GOSISDBHSA-N 1 0 353.853 3.606 20 30 FHEDRO CC[NH+](CC)CCSCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000468804060 945073596 /nfs/dbraw/zinc/07/35/96/945073596.db2.gz BWTUUFWOUSZGPV-UHFFFAOYSA-N 1 0 353.919 3.662 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000548639840 935097758 /nfs/dbraw/zinc/09/77/58/935097758.db2.gz UHUQQTVARHAMKC-KDOFPFPSSA-N 1 0 353.853 3.604 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000119817594 935259841 /nfs/dbraw/zinc/25/98/41/935259841.db2.gz QMMKXRCJPSFHCB-INIZCTEOSA-N 1 0 358.442 3.717 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000255021247 935266470 /nfs/dbraw/zinc/26/64/70/935266470.db2.gz SREUGZYPJYNMSR-XQRVVYSFSA-N 1 0 365.452 3.691 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)CCC=C2 ZINC000551516460 935302093 /nfs/dbraw/zinc/30/20/93/935302093.db2.gz QZIOSOYNPRXWLS-UHFFFAOYSA-N 1 0 359.473 3.722 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000051449319 935304385 /nfs/dbraw/zinc/30/43/85/935304385.db2.gz XFBYNZSJVDEUPU-LAUBAEHRSA-N 1 0 370.880 3.983 20 30 FHEDRO N#CCc1ccc(CNC(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000892203249 935328414 /nfs/dbraw/zinc/32/84/14/935328414.db2.gz VJNQYNFNUMMGPT-TZIWHRDSSA-N 1 0 368.525 3.582 20 30 FHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000108532334 935358550 /nfs/dbraw/zinc/35/85/50/935358550.db2.gz MGANNMFOTYORKK-HOTGVXAUSA-N 1 0 360.527 3.792 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000119962055 935379757 /nfs/dbraw/zinc/37/97/57/935379757.db2.gz HPGKXSHOPMHIEY-GOSISDBHSA-N 1 0 370.497 3.685 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000582208247 935398728 /nfs/dbraw/zinc/39/87/28/935398728.db2.gz NIFJZQLJZBUVTH-HOCLYGCPSA-N 1 0 373.522 3.597 20 30 FHEDRO C[C@H]1SCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H]1C ZINC000118416916 935423832 /nfs/dbraw/zinc/42/38/32/935423832.db2.gz QFMQEECWXNPRPK-CHWSQXEVSA-N 1 0 363.552 3.653 20 30 FHEDRO CC[N@@H+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@H](C)C1 ZINC000582232756 935429690 /nfs/dbraw/zinc/42/96/90/935429690.db2.gz LBUGCWJGMKAFGZ-MRXNPFEDSA-N 1 0 365.502 3.876 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c(F)c1 ZINC000263744409 935430378 /nfs/dbraw/zinc/43/03/78/935430378.db2.gz RVOSDXZAWCPMKL-UHFFFAOYSA-N 1 0 355.388 3.687 20 30 FHEDRO CCC[N@H+](CC)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000472203570 935453854 /nfs/dbraw/zinc/45/38/54/935453854.db2.gz DDWADUMHNMFDFX-UHFFFAOYSA-N 1 0 365.477 3.599 20 30 FHEDRO CCC[N@H+](CC)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000472205180 935467886 /nfs/dbraw/zinc/46/78/86/935467886.db2.gz GMSRJLBHKCDHBQ-UHFFFAOYSA-N 1 0 365.477 3.599 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000178569919 935587298 /nfs/dbraw/zinc/58/72/98/935587298.db2.gz UFWTVVTZIQXTSJ-QGZVFWFLSA-N 1 0 354.479 3.887 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1ccc(C#N)cc1 ZINC000707984369 935654192 /nfs/dbraw/zinc/65/41/92/935654192.db2.gz VDIGINLSPTYXST-HYEGPXJVSA-N 1 0 355.482 3.997 20 30 FHEDRO C=CCc1ccc(OCC(=O)Nc2ccccc2C[NH2+]CC)c(OC)c1 ZINC000237048631 935660526 /nfs/dbraw/zinc/66/05/26/935660526.db2.gz FMELTFKHWVAKQG-UHFFFAOYSA-N 1 0 354.450 3.551 20 30 FHEDRO C[C@H]1C[NH+](CCCCNc2cccc(Br)c2C#N)C[C@H](C)O1 ZINC000439965809 945115931 /nfs/dbraw/zinc/11/59/31/945115931.db2.gz HKDZUCSRLFOQAY-KBPBESRZSA-N 1 0 366.303 3.622 20 30 FHEDRO CCOc1ccc(O)c(/C=N/C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000158274758 935677395 /nfs/dbraw/zinc/67/73/95/935677395.db2.gz LIGJUSPNUBKSSK-LGVXEURYSA-N 1 0 353.466 3.830 20 30 FHEDRO Cc1csc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1Cl ZINC000478697490 935680371 /nfs/dbraw/zinc/68/03/71/935680371.db2.gz AGAADUVHWXTALT-UHFFFAOYSA-N 1 0 361.898 3.786 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000065550447 935720167 /nfs/dbraw/zinc/72/01/67/935720167.db2.gz KQJCHQPMPFQGDN-GOSISDBHSA-N 1 0 370.541 3.990 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1OCCCC#N ZINC000611609629 935734996 /nfs/dbraw/zinc/73/49/96/935734996.db2.gz VLDNAAGSSVADJE-OAHLLOKOSA-N 1 0 354.397 3.581 20 30 FHEDRO N#CCC[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000158972388 935775260 /nfs/dbraw/zinc/77/52/60/935775260.db2.gz SZMVJHIDZWBSSZ-RBUKOAKNSA-N 1 0 366.465 3.761 20 30 FHEDRO CC[C@@H](C[NH2+]Cc1nc(C#N)cs1)Oc1ccccc1C(F)(F)F ZINC000562071479 935779772 /nfs/dbraw/zinc/77/97/72/935779772.db2.gz BCTLMKCRBALNDM-LBPRGKRZSA-N 1 0 355.385 3.981 20 30 FHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511145227 935785842 /nfs/dbraw/zinc/78/58/42/935785842.db2.gz LSVOOYRTBNSJFN-INIZCTEOSA-N 1 0 367.415 3.647 20 30 FHEDRO COc1cccc(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1OC ZINC000562078339 935806406 /nfs/dbraw/zinc/80/64/06/935806406.db2.gz BMQIWVNAWLWMHE-UHFFFAOYSA-N 1 0 364.367 3.927 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@@H]2C)c1C#N ZINC000472231091 935823754 /nfs/dbraw/zinc/82/37/54/935823754.db2.gz FKMVTNARQLRDHG-GJZGRUSLSA-N 1 0 368.481 3.677 20 30 FHEDRO CSC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000611621904 935831694 /nfs/dbraw/zinc/83/16/94/935831694.db2.gz WTNJWZIHXUWLMU-INIZCTEOSA-N 1 0 357.445 3.687 20 30 FHEDRO O=C(NC[C@@H]1CCCN(CC#Cc2ccccc2Cl)C1)c1ccccc1 ZINC000135125180 935832305 /nfs/dbraw/zinc/83/23/05/935832305.db2.gz ZQUJCNZGRIWHIH-SFHVURJKSA-N 1 0 366.892 3.834 20 30 FHEDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479676789 935876428 /nfs/dbraw/zinc/87/64/28/935876428.db2.gz OBSRBMCQQYNQRH-UHFFFAOYSA-N 1 0 353.491 3.779 20 30 FHEDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1ccc(C#N)cc1 ZINC000375721274 935877655 /nfs/dbraw/zinc/87/76/55/935877655.db2.gz VLZOHYKZFRZIIJ-OAQYLSRUSA-N 1 0 363.461 3.609 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC(CC#N)CC1 ZINC000611674166 935899046 /nfs/dbraw/zinc/89/90/46/935899046.db2.gz RQNXXGVISCCAME-SFHVURJKSA-N 1 0 369.509 3.706 20 30 FHEDRO N#Cc1cccc(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000158686287 935908522 /nfs/dbraw/zinc/90/85/22/935908522.db2.gz FXQMJVXGMBSUSA-UHFFFAOYSA-N 1 0 365.502 3.563 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccnn3C3CCCC3)C2)c(F)c1 ZINC000582706433 935968428 /nfs/dbraw/zinc/96/84/28/935968428.db2.gz XIFVWAZOMFZYFE-KRWDZBQOSA-N 1 0 367.472 3.768 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccnn3C3CCCC3)C2)c(F)c1 ZINC000582706434 935968438 /nfs/dbraw/zinc/96/84/38/935968438.db2.gz XIFVWAZOMFZYFE-QGZVFWFLSA-N 1 0 367.472 3.768 20 30 FHEDRO N#CCC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000438854215 945142241 /nfs/dbraw/zinc/14/22/41/945142241.db2.gz RDCWPLBBELDEJS-RTWAWAEBSA-N 1 0 362.477 3.605 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)ccc1OC ZINC000657598027 936080884 /nfs/dbraw/zinc/08/08/84/936080884.db2.gz HDOFEWQQPXCLBR-RTBURBONSA-N 1 0 372.509 3.673 20 30 FHEDRO C=CCC1([NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)CCOCC1 ZINC000657633403 936127236 /nfs/dbraw/zinc/12/72/36/936127236.db2.gz OAMZUVDWEQGXIM-UHFFFAOYSA-N 1 0 368.477 3.884 20 30 FHEDRO COc1cccc([C@H](CNc2nc3cc(Cl)ccn3c2C#N)[NH+](C)C)c1 ZINC000582802562 936144147 /nfs/dbraw/zinc/14/41/47/936144147.db2.gz GMIQTNMUJMOORY-KRWDZBQOSA-N 1 0 369.856 3.583 20 30 FHEDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OCCCC#N ZINC000120000483 936174986 /nfs/dbraw/zinc/17/49/86/936174986.db2.gz DBFIGMOQVMAKER-UHFFFAOYSA-N 1 0 355.394 3.576 20 30 FHEDRO C=CCOCCC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000657658321 936177854 /nfs/dbraw/zinc/17/78/54/936177854.db2.gz SBYACCVFESENOL-UHFFFAOYSA-N 1 0 350.203 3.733 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CCC2CC2)c1C#N ZINC000135249274 936181101 /nfs/dbraw/zinc/18/11/01/936181101.db2.gz BFXNHACAVKNZCH-UHFFFAOYSA-N 1 0 368.481 3.678 20 30 FHEDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc(Br)ccc1OCC#N ZINC001167625306 936196853 /nfs/dbraw/zinc/19/68/53/936196853.db2.gz UWZDDFULTWEDBM-UHFFFAOYSA-N 1 0 366.303 3.836 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000187853107 936216730 /nfs/dbraw/zinc/21/67/30/936216730.db2.gz FTJRPFGCYRIFKE-UHFFFAOYSA-N 1 0 359.473 3.502 20 30 FHEDRO Cc1ccc(F)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000161829078 936309366 /nfs/dbraw/zinc/30/93/66/936309366.db2.gz FOEIVOZARQMZIU-UHFFFAOYSA-N 1 0 354.429 3.602 20 30 FHEDRO N#CC1(NC(=O)c2ccc3cnccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000564410157 936310206 /nfs/dbraw/zinc/31/02/06/936310206.db2.gz OZFAOGAJNBPHBB-UHFFFAOYSA-N 1 0 370.456 3.523 20 30 FHEDRO C=CCCOCCNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000536037471 938264452 /nfs/dbraw/zinc/26/44/52/938264452.db2.gz XSAMFMDUHGETBQ-OALUTQOASA-N 1 0 373.541 3.556 20 30 FHEDRO C[C@H](c1nc(-c2ccccc2)no1)N(C)CCOCc1ccc(C#N)cc1 ZINC000583464419 938264862 /nfs/dbraw/zinc/26/48/62/938264862.db2.gz REZOWLMEXFJDIZ-MRXNPFEDSA-N 1 0 362.433 3.818 20 30 FHEDRO CCc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cnn1-c1ccc(F)cc1 ZINC000329182023 938281613 /nfs/dbraw/zinc/28/16/13/938281613.db2.gz OVWNTJNJFZPSMF-MRXNPFEDSA-N 1 0 370.472 3.895 20 30 FHEDRO N#Cc1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(Cl)c1 ZINC000892340428 938283814 /nfs/dbraw/zinc/28/38/14/938283814.db2.gz UFCKDSLRVPWQGB-UHFFFAOYSA-N 1 0 355.869 3.780 20 30 FHEDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c2c(n1)onc2C(C)C ZINC000329202666 938286087 /nfs/dbraw/zinc/28/60/87/938286087.db2.gz YDIIMIPQLMIZJV-AWEZNQCLSA-N 1 0 356.470 3.976 20 30 FHEDRO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000427705679 938302089 /nfs/dbraw/zinc/30/20/89/938302089.db2.gz JRQTXCHIOSDCMT-WMZOPIPTSA-N 1 0 369.509 3.552 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000156976766 938302845 /nfs/dbraw/zinc/30/28/45/938302845.db2.gz NXKNQEGWQNROAN-OXJNMPFZSA-N 1 0 366.509 3.968 20 30 FHEDRO C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329263799 938307592 /nfs/dbraw/zinc/30/75/92/938307592.db2.gz GLSFAIOTWZNFQT-INIZCTEOSA-N 1 0 364.534 3.528 20 30 FHEDRO CC[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000278349164 938326884 /nfs/dbraw/zinc/32/68/84/938326884.db2.gz YRMUUFXBVGFUEW-FQEVSTJZSA-N 1 0 356.491 3.604 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@](=O)CC)C2)ccc1OC ZINC000246106292 938339396 /nfs/dbraw/zinc/33/93/96/938339396.db2.gz BOHNDAFLWKUYGA-FUMQJTLXSA-N 1 0 365.539 3.820 20 30 FHEDRO N#CC1(CCC[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)CCOCC1 ZINC000561907790 938355899 /nfs/dbraw/zinc/35/58/99/938355899.db2.gz YTWCZJJVFHEBJO-ZWKOTPCHSA-N 1 0 360.523 3.588 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246742990 938397045 /nfs/dbraw/zinc/39/70/45/938397045.db2.gz OGYXGVFQSNLESJ-OWCLPIDISA-N 1 0 360.527 3.885 20 30 FHEDRO C=C(C)[C@H](NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000458675389 938410192 /nfs/dbraw/zinc/41/01/92/938410192.db2.gz OQQLXNFREXKSNC-KDOFPFPSSA-N 1 0 351.441 3.613 20 30 FHEDRO C=C(C)[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000458677458 938415847 /nfs/dbraw/zinc/41/58/47/938415847.db2.gz PSOSTJFOUZKQBJ-QAPCUYQASA-N 1 0 351.441 3.706 20 30 FHEDRO C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000247394201 938464211 /nfs/dbraw/zinc/46/42/11/938464211.db2.gz MEGPKFVSVQAXGU-PXNSSMCTSA-N 1 0 368.502 3.573 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)cc1OCCCC#N ZINC000283041478 938464642 /nfs/dbraw/zinc/46/46/42/938464642.db2.gz OAHCKKSNFIRCNK-SFHVURJKSA-N 1 0 368.481 3.789 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccccc1-c1ccc(Cl)cc1 ZINC000583930072 938487060 /nfs/dbraw/zinc/48/70/60/938487060.db2.gz OVOPVWJPGJUAAG-QFBILLFUSA-N 1 0 371.912 3.864 20 30 FHEDRO C[N@H+](Cc1ccc(C#N)cc1Br)CC1(O)CCCCCC1 ZINC000426215005 945182256 /nfs/dbraw/zinc/18/22/56/945182256.db2.gz KJNWSYFKKDNTLC-UHFFFAOYSA-N 1 0 351.288 3.838 20 30 FHEDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000329620333 938549216 /nfs/dbraw/zinc/54/92/16/938549216.db2.gz GQEAGRAXJIDNEZ-ZWKOTPCHSA-N 1 0 358.482 3.782 20 30 FHEDRO C[NH+](C)CCN(C(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000458795232 938591403 /nfs/dbraw/zinc/59/14/03/938591403.db2.gz CDQBOIBQVNIWOP-FQEVSTJZSA-N 1 0 356.514 3.937 20 30 FHEDRO CCCNc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278656546 938624995 /nfs/dbraw/zinc/62/49/95/938624995.db2.gz MWPRPZXRPQSTKI-UHFFFAOYSA-N 1 0 374.492 3.970 20 30 FHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c2C1 ZINC000162161314 938691955 /nfs/dbraw/zinc/69/19/55/938691955.db2.gz SDDJXOIJWSSXRS-MRXNPFEDSA-N 1 0 363.461 3.936 20 30 FHEDRO Cc1cc(F)ccc1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278731284 938697417 /nfs/dbraw/zinc/69/74/17/938697417.db2.gz UKBOVOHPRRLYBE-UHFFFAOYSA-N 1 0 363.440 3.639 20 30 FHEDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000519183640 945198300 /nfs/dbraw/zinc/19/83/00/945198300.db2.gz JWDNFPOYVUZPEX-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)c2)n1 ZINC000278742285 938718501 /nfs/dbraw/zinc/71/85/01/938718501.db2.gz NKBJPROWRSIKIA-BBRMVZONSA-N 1 0 355.463 3.769 20 30 FHEDRO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000480281559 938809298 /nfs/dbraw/zinc/80/92/98/938809298.db2.gz WKHKYYARHVXNFE-YVEFUNNKSA-N 1 0 362.271 3.525 20 30 FHEDRO Cc1ncsc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000329792413 938811593 /nfs/dbraw/zinc/81/15/93/938811593.db2.gz AALQSYIMERPZRB-XJKSGUPXSA-N 1 0 364.540 3.600 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000151887630 938835329 /nfs/dbraw/zinc/83/53/29/938835329.db2.gz ATULEUNMDNGUCL-QZTJIDSGSA-N 1 0 371.525 3.590 20 30 FHEDRO C=C[C@H](CC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccccc1 ZINC000089344462 938858427 /nfs/dbraw/zinc/85/84/27/938858427.db2.gz IVRYPKIHDMELCJ-LJQANCHMSA-N 1 0 370.537 3.622 20 30 FHEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1c(F)cccc1F ZINC000120833652 945210103 /nfs/dbraw/zinc/21/01/03/945210103.db2.gz LGQYIOCXFJTJJL-OAHLLOKOSA-N 1 0 371.431 3.530 20 30 FHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@]2(C)OCCc3sccc32)cc1 ZINC000262393721 938875853 /nfs/dbraw/zinc/87/58/53/938875853.db2.gz SEHTZWOJEZGNTC-IBGZPJMESA-N 1 0 359.495 3.750 20 30 FHEDRO Cc1cc(C(F)(F)F)ccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262394053 938877868 /nfs/dbraw/zinc/87/78/68/938877868.db2.gz MPZGMXBCZLBXJL-INIZCTEOSA-N 1 0 363.383 3.942 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc2c(s1)CCC2 ZINC000507409908 945214496 /nfs/dbraw/zinc/21/44/96/945214496.db2.gz XOFABHDJNPYEKM-KBXCAEBGSA-N 1 0 365.502 3.955 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000458800929 938941067 /nfs/dbraw/zinc/94/10/67/938941067.db2.gz MEERDEGAARLDMJ-UXHICEINSA-N 1 0 354.498 3.691 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000140949032 938942630 /nfs/dbraw/zinc/94/26/30/938942630.db2.gz BQXGWJGALADYRC-KRWDZBQOSA-N 1 0 367.424 3.557 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)ccc1OC ZINC000171129771 938947071 /nfs/dbraw/zinc/94/70/71/938947071.db2.gz MAMRIJGIQQOZSP-UHFFFAOYSA-N 1 0 372.431 3.766 20 30 FHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458802716 938959951 /nfs/dbraw/zinc/95/99/51/938959951.db2.gz PWJGSWCEBZWJLM-TZIWHRDSSA-N 1 0 368.525 3.795 20 30 FHEDRO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3cccc(C#N)c3)c2)n1 ZINC000480482248 938962613 /nfs/dbraw/zinc/96/26/13/938962613.db2.gz PPXQXADCYCOJTN-UHFFFAOYSA-N 1 0 363.442 3.758 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+]Cc3ccc(Oc4ccccc4)cc3)cnc12 ZINC000548833921 938977778 /nfs/dbraw/zinc/97/77/78/938977778.db2.gz CZEMFXBXRQZPTM-UHFFFAOYSA-N 1 0 355.401 3.683 20 30 FHEDRO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000685550874 938999045 /nfs/dbraw/zinc/99/90/45/938999045.db2.gz MBTDXSOYSGJSBX-LPHOPBHVSA-N 1 0 371.504 3.745 20 30 FHEDRO C=CCn1c(CC(C)C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000685550031 938999055 /nfs/dbraw/zinc/99/90/55/938999055.db2.gz IVCCFIOYNZOUHN-UHFFFAOYSA-N 1 0 371.504 3.514 20 30 FHEDRO N#CCCCOc1cccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000093387685 939015950 /nfs/dbraw/zinc/01/59/50/939015950.db2.gz LESBZLMRROOZGA-QFIPXVFZSA-N 1 0 350.462 3.851 20 30 FHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000188172295 939021477 /nfs/dbraw/zinc/02/14/77/939021477.db2.gz SQNLKNIJLKDMKF-WMZOPIPTSA-N 1 0 365.452 3.822 20 30 FHEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000472357584 939048026 /nfs/dbraw/zinc/04/80/26/939048026.db2.gz BOYIYUXMEHKDDM-FPOVZHCZSA-N 1 0 361.489 3.886 20 30 FHEDRO N#CC1(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CCCCC1 ZINC000511828138 945226103 /nfs/dbraw/zinc/22/61/03/945226103.db2.gz DBKYMWHLUJBPHF-VAMGGRTRSA-N 1 0 351.494 3.597 20 30 FHEDRO CCCc1c(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)cnn1-c1cccc(C#N)c1 ZINC000440091871 945234982 /nfs/dbraw/zinc/23/49/82/945234982.db2.gz YBZAFNBNIZPHLO-OAHLLOKOSA-N 1 0 367.497 3.802 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1C#N ZINC000506757986 945236977 /nfs/dbraw/zinc/23/69/77/945236977.db2.gz GKIWDNHULZTCME-UHFFFAOYSA-N 1 0 360.502 3.928 20 30 FHEDRO N#Cc1ccc([C@@H]([NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C(N)=O)cc1 ZINC000507460595 945249592 /nfs/dbraw/zinc/24/95/92/945249592.db2.gz ITKHWIGVZWZKRA-IIDMSEBBSA-N 1 0 374.271 3.927 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000660568763 945256300 /nfs/dbraw/zinc/25/63/00/945256300.db2.gz YBDINNQIZFMKBE-SFTDATJTSA-N 1 0 355.526 3.549 20 30 FHEDRO CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000507494335 945265733 /nfs/dbraw/zinc/26/57/33/945265733.db2.gz JENNRRJOSZXRLX-CRAIPNDOSA-N 1 0 352.457 3.974 20 30 FHEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000617034689 945269092 /nfs/dbraw/zinc/26/90/92/945269092.db2.gz HGCHGGBDSXILRZ-UHFFFAOYSA-N 1 0 368.452 3.785 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](CC(C)C)N2CCOCC2)cc1Cl ZINC000518271960 945277563 /nfs/dbraw/zinc/27/75/63/945277563.db2.gz ULGGYLIYVYZHMI-GOSISDBHSA-N 1 0 366.933 3.741 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1 ZINC000364064365 939902672 /nfs/dbraw/zinc/90/26/72/939902672.db2.gz FIAXKTHWFKZNSH-UHFFFAOYSA-N 1 0 373.500 3.961 20 30 FHEDRO CN1c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000179808918 939944747 /nfs/dbraw/zinc/94/47/47/939944747.db2.gz LDPAVSSWKCGPRL-UHFFFAOYSA-N 1 0 374.488 3.544 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1Cl ZINC000518279833 945286884 /nfs/dbraw/zinc/28/68/84/945286884.db2.gz ALEMDWKGARZCDM-IBGZPJMESA-N 1 0 370.880 3.796 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000612357751 940020730 /nfs/dbraw/zinc/02/07/30/940020730.db2.gz FVSAVUXRKAUPMG-QUCCMNQESA-N 1 0 374.916 3.812 20 30 FHEDRO COCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000179882864 940064810 /nfs/dbraw/zinc/06/48/10/940064810.db2.gz PPNTULTVUWBRRY-UHFFFAOYSA-N 1 0 360.461 3.607 20 30 FHEDRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000065930244 940078904 /nfs/dbraw/zinc/07/89/04/940078904.db2.gz CRTGVQRXCNAJOR-KRWDZBQOSA-N 1 0 367.468 3.781 20 30 FHEDRO CC(C)c1nnc([C@H]2CC23CC[NH+](Cc2ccc(C#N)c(F)c2)CC3)o1 ZINC000365264559 940101697 /nfs/dbraw/zinc/10/16/97/940101697.db2.gz VEFIJPYISMZDCN-MRXNPFEDSA-N 1 0 354.429 3.973 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)c1ccc(C#N)cc1 ZINC000548936544 940113240 /nfs/dbraw/zinc/11/32/40/940113240.db2.gz VGGPVJJPOLIRIQ-NSHDSACASA-N 1 0 354.410 3.596 20 30 FHEDRO C=CCOc1ccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)cc1OC ZINC000506775817 945297380 /nfs/dbraw/zinc/29/73/80/945297380.db2.gz KLCPXRJRDKEGEM-QGZVFWFLSA-N 1 0 355.434 3.532 20 30 FHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000612580047 940160307 /nfs/dbraw/zinc/16/03/07/940160307.db2.gz CGZKUGNHSJOSAS-UHFFFAOYSA-N 1 0 367.880 3.868 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000540884545 940181487 /nfs/dbraw/zinc/18/14/87/940181487.db2.gz SBBPHFBGULEDRO-UHFFFAOYSA-N 1 0 355.869 3.983 20 30 FHEDRO C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000179986962 940193088 /nfs/dbraw/zinc/19/30/88/940193088.db2.gz QVJKPYKOJBCCNF-HTAPYJJXSA-N 1 0 372.472 3.921 20 30 FHEDRO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(C#N)cc1 ZINC000376111134 940323861 /nfs/dbraw/zinc/32/38/61/940323861.db2.gz FVUPVLBARWMANM-KURKYZTESA-N 1 0 352.438 3.780 20 30 FHEDRO Cn1cc(C[NH2+]CCCOCCc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180067729 940382241 /nfs/dbraw/zinc/38/22/41/940382241.db2.gz RFMYKJWMOMMHCJ-UHFFFAOYSA-N 1 0 374.488 3.698 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000376167285 940405194 /nfs/dbraw/zinc/40/51/94/940405194.db2.gz QJUJMAGJZKETSK-RVHYNSKXSA-N 1 0 353.441 3.824 20 30 FHEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000376168956 940410057 /nfs/dbraw/zinc/41/00/57/940410057.db2.gz YRZGPLQIAHGEJP-CZAYHTPWSA-N 1 0 364.493 3.819 20 30 FHEDRO N#Cc1cccc(COc2cccc(CN3CCOC[C@@H]3CC(F)F)c2)c1 ZINC000580011592 940430601 /nfs/dbraw/zinc/43/06/01/940430601.db2.gz LZQINVQGRLJABA-IBGZPJMESA-N 1 0 372.415 3.993 20 30 FHEDRO Cc1cc(Cl)c2ncc(C#N)c(NCC3([NH+](C)C)CCOCC3)c2c1 ZINC000548986877 940437921 /nfs/dbraw/zinc/43/79/21/940437921.db2.gz PWZOKICIVZZUJD-UHFFFAOYSA-N 1 0 358.873 3.591 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000580054392 940444521 /nfs/dbraw/zinc/44/45/21/940444521.db2.gz PDNZOFFLJKXCIJ-OAQYLSRUSA-N 1 0 366.509 3.596 20 30 FHEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000310701034 940451383 /nfs/dbraw/zinc/45/13/83/940451383.db2.gz FTPGRLPEMUIKBR-KZNAEPCWSA-N 1 0 352.519 3.737 20 30 FHEDRO C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000580281068 940471746 /nfs/dbraw/zinc/47/17/46/940471746.db2.gz DCEZHQWSUIAUHH-KKSFZXQISA-N 1 0 373.456 3.626 20 30 FHEDRO CC(C)[N@@H+]1CCc2nc(/C=C/c3nc4ccccc4n3CC#N)sc2C1 ZINC000414064796 940473193 /nfs/dbraw/zinc/47/31/93/940473193.db2.gz FEOBTKIPRIHACO-BQYQJAHWSA-N 1 0 363.490 3.953 20 30 FHEDRO CC(C)[N@@H+]1CCc2nc(/C=C\c3nc4ccccc4n3CC#N)sc2C1 ZINC000414064801 940473284 /nfs/dbraw/zinc/47/32/84/940473284.db2.gz FEOBTKIPRIHACO-FPLPWBNLSA-N 1 0 363.490 3.953 20 30 FHEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1Br ZINC000580644540 940481138 /nfs/dbraw/zinc/48/11/38/940481138.db2.gz PJFLXIWOUGVQOV-UHFFFAOYSA-N 1 0 361.239 3.628 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000581412591 940501812 /nfs/dbraw/zinc/50/18/12/940501812.db2.gz FTVQNXQGTMQQDK-UHFFFAOYSA-N 1 0 368.525 3.743 20 30 FHEDRO COc1ccc(C[C@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cn1 ZINC000414107525 940588141 /nfs/dbraw/zinc/58/81/41/940588141.db2.gz YWMAPWQJDIWEIM-DZIBYMRMSA-N 1 0 365.477 3.873 20 30 FHEDRO C=CCOc1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1OC ZINC000511486480 940620585 /nfs/dbraw/zinc/62/05/85/940620585.db2.gz FXUKQVWPEZUCDK-UHFFFAOYSA-N 1 0 352.478 3.972 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)[C@@H]1COc2ccccc21 ZINC000581842241 940626770 /nfs/dbraw/zinc/62/67/70/940626770.db2.gz ABCXYLOYPYBLMF-SJCJKPOMSA-N 1 0 357.251 3.975 20 30 FHEDRO C[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccccc1SCC#N ZINC000173532115 940637585 /nfs/dbraw/zinc/63/75/85/940637585.db2.gz WWAMNQOHZXPNQJ-OAHLLOKOSA-N 1 0 351.475 3.688 20 30 FHEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000511861210 945338927 /nfs/dbraw/zinc/33/89/27/945338927.db2.gz SCKNLFUGTYUNRN-IKGGRYGDSA-N 1 0 352.400 3.718 20 30 FHEDRO CCOCCC[N@@H+]1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@H](C)C1 ZINC000613427004 940693547 /nfs/dbraw/zinc/69/35/47/940693547.db2.gz WAXYMYXPWZZHAN-SJLPKXTDSA-N 1 0 358.530 3.800 20 30 FHEDRO CN1CCC(CNc2nc(C(C)(C)C)ccc2C#N)([NH+]2CCCCC2)CC1 ZINC000613425554 940693577 /nfs/dbraw/zinc/69/35/77/940693577.db2.gz CCJHGCKCUFJARZ-UHFFFAOYSA-N 1 0 369.557 3.613 20 30 FHEDRO C[N@@H+]1CC[C@@H](NCc2ccc(Br)cc2C#N)[C@@H]1c1ccccc1 ZINC000582575246 940727612 /nfs/dbraw/zinc/72/76/12/940727612.db2.gz QFVQAEHSKIVYLG-MOPGFXCFSA-N 1 0 370.294 3.856 20 30 FHEDRO C=CCNC(=O)C[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000613491390 940768606 /nfs/dbraw/zinc/76/86/06/940768606.db2.gz PLIKJAHOJZXZPU-UHFFFAOYSA-N 1 0 354.416 3.652 20 30 FHEDRO C[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000330078459 945347562 /nfs/dbraw/zinc/34/75/62/945347562.db2.gz NRUKUHQHBHUVQJ-YVEFUNNKSA-N 1 0 373.280 3.851 20 30 FHEDRO Cn1cc(C[NH2+]CCSCc2ccccc2C#N)c(-c2ccccc2)n1 ZINC000180202137 940802218 /nfs/dbraw/zinc/80/22/18/940802218.db2.gz MQMUBVBTCRAFPX-UHFFFAOYSA-N 1 0 362.502 3.982 20 30 FHEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000180254467 940883851 /nfs/dbraw/zinc/88/38/51/940883851.db2.gz RXQDZICQGNFMFY-OAHLLOKOSA-N 1 0 364.424 3.655 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000414292925 940907036 /nfs/dbraw/zinc/90/70/36/940907036.db2.gz CLBUBIVINJFTLS-VQIMIIECSA-N 1 0 373.518 3.937 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000170949107 940927832 /nfs/dbraw/zinc/92/78/32/940927832.db2.gz IQLYGDYJPOCIGP-HZPDHXFCSA-N 1 0 353.293 3.864 20 30 FHEDRO CC(C)(C)n1ncc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1C(F)(F)F ZINC000330117303 945362899 /nfs/dbraw/zinc/36/28/99/945362899.db2.gz WUVPNPJTYVPKNE-UHFFFAOYSA-N 1 0 372.435 3.978 20 30 FHEDRO N#CCSc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000175978325 940962574 /nfs/dbraw/zinc/96/25/74/940962574.db2.gz HDEIYJIDRSQNRZ-UHFFFAOYSA-N 1 0 365.502 3.828 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000180335039 940979188 /nfs/dbraw/zinc/97/91/88/940979188.db2.gz ILYXGFSEDGVDCP-UHFFFAOYSA-N 1 0 358.397 3.949 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C(C)C)[C@@H](C)C1 ZINC000584511719 941018230 /nfs/dbraw/zinc/01/82/30/941018230.db2.gz KCPOOBLPGMWEDQ-LPHOPBHVSA-N 1 0 366.513 3.564 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000472602248 941068743 /nfs/dbraw/zinc/06/87/43/941068743.db2.gz PLSXBZNPMZXUJN-YSIASYRMSA-N 1 0 353.510 3.719 20 30 FHEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(N2CCOC2=O)c1 ZINC000181335202 941125713 /nfs/dbraw/zinc/12/57/13/941125713.db2.gz ZLYFHPLZFYAODR-OAHLLOKOSA-N 1 0 354.837 3.999 20 30 FHEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000480690774 941126983 /nfs/dbraw/zinc/12/69/83/941126983.db2.gz UBIUXDIVJAUQSF-CZUORRHYSA-N 1 0 353.388 3.764 20 30 FHEDRO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000188949959 941132997 /nfs/dbraw/zinc/13/29/97/941132997.db2.gz OPBBMPALQJSATM-FQEVSTJZSA-N 1 0 358.445 3.881 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)cc1 ZINC000181399567 941152708 /nfs/dbraw/zinc/15/27/08/941152708.db2.gz SHPFURANFZBVDN-AUUYWEPGSA-N 1 0 374.278 3.845 20 30 FHEDRO CN(C(=O)Nc1ccc(F)cc1C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000177909934 941154013 /nfs/dbraw/zinc/15/40/13/941154013.db2.gz AIOLSVDGHDXHCM-UHFFFAOYSA-N 1 0 366.440 3.826 20 30 FHEDRO COc1ccccc1NC(=O)C1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189230664 941154937 /nfs/dbraw/zinc/15/49/37/941154937.db2.gz KNDKUTBPKUEVKS-INIZCTEOSA-N 1 0 363.461 3.979 20 30 FHEDRO C[C@@H]1COc2ccccc2C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000541085367 941289154 /nfs/dbraw/zinc/28/91/54/941289154.db2.gz PVZVYCXXWCIPGM-CQSZACIVSA-N 1 0 369.852 3.823 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000189918643 941303239 /nfs/dbraw/zinc/30/32/39/941303239.db2.gz OHCQNBZJSKAXQU-IBGZPJMESA-N 1 0 361.489 3.786 20 30 FHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc(O)c1 ZINC000181498761 941363392 /nfs/dbraw/zinc/36/33/92/941363392.db2.gz FEMVAMPKJQIBJP-CYBMUJFWSA-N 1 0 369.490 3.884 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1 ZINC000414590657 941388507 /nfs/dbraw/zinc/38/85/07/941388507.db2.gz XUHWXRDUPFTUDC-GHTZIAJQSA-N 1 0 350.462 3.778 20 30 FHEDRO CC(C)C[C@H]([NH3+])c1noc(C2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000414624804 941412457 /nfs/dbraw/zinc/41/24/57/941412457.db2.gz WBUWCSJLPASILA-INIZCTEOSA-N 1 0 357.433 3.510 20 30 FHEDRO CC(C)N1CCc2nc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000376857826 941450993 /nfs/dbraw/zinc/45/09/93/941450993.db2.gz NCSNBKYSHBYEMA-VOTSOKGWSA-N 1 0 357.435 3.714 20 30 FHEDRO C=CC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000376927718 941468246 /nfs/dbraw/zinc/46/82/46/941468246.db2.gz SPTIGLJIRDVJJA-AWEZNQCLSA-N 1 0 365.315 3.916 20 30 FHEDRO C[C@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376928633 941468643 /nfs/dbraw/zinc/46/86/43/941468643.db2.gz CMVSDYLTVLNOKC-PKOBYXMFSA-N 1 0 356.514 3.526 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC(C)(C)CCC#N ZINC000377035803 941499594 /nfs/dbraw/zinc/49/95/94/941499594.db2.gz UPESNIBILQZUCG-GOSISDBHSA-N 1 0 356.514 3.622 20 30 FHEDRO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000414903586 941505807 /nfs/dbraw/zinc/50/58/07/941505807.db2.gz KDONRHORRXMHQR-NRFANRHFSA-N 1 0 367.468 3.781 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415001936 941535875 /nfs/dbraw/zinc/53/58/75/941535875.db2.gz CUVWCHFKODREQF-ZBFHGGJFSA-N 1 0 350.422 3.552 20 30 FHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415013467 941540601 /nfs/dbraw/zinc/54/06/01/941540601.db2.gz VCPGUVLBOCLQTK-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H]1C[NH3+] ZINC000415014366 941546390 /nfs/dbraw/zinc/54/63/90/941546390.db2.gz WWFXVVQWIANRFE-NVXWUHKLSA-N 1 0 364.449 3.799 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCCC[NH2+]C3CC3)cc2)cc1 ZINC000415037412 941552975 /nfs/dbraw/zinc/55/29/75/941552975.db2.gz LBRHFUWWVSYUJH-UHFFFAOYSA-N 1 0 350.422 3.614 20 30 FHEDRO C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H]1C[NH3+] ZINC000415032696 941556745 /nfs/dbraw/zinc/55/67/45/941556745.db2.gz GIPRXCGORKTRHE-YWZLYKJASA-N 1 0 364.449 3.942 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CCC([NH3+])CC3)cc2)cc1 ZINC000415044596 941569131 /nfs/dbraw/zinc/56/91/31/941569131.db2.gz SIKWPPYEJCPDQP-UHFFFAOYSA-N 1 0 350.422 3.742 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415054095 941572414 /nfs/dbraw/zinc/57/24/14/941572414.db2.gz FBNFLNLQOFYTNY-HNNXBMFYSA-N 1 0 352.438 3.908 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415063897 941576709 /nfs/dbraw/zinc/57/67/09/941576709.db2.gz PVSQNVDYAIOLTR-NRFANRHFSA-N 1 0 364.449 3.862 20 30 FHEDRO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000549170689 941577607 /nfs/dbraw/zinc/57/76/07/941577607.db2.gz BYUBIHUWWVNATC-PBJXNIARSA-N 1 0 366.461 3.690 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000415061857 941580577 /nfs/dbraw/zinc/58/05/77/941580577.db2.gz LLXXIPQYNOZOGU-HXUWFJFHSA-N 1 0 364.449 3.860 20 30 FHEDRO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000549173447 941581556 /nfs/dbraw/zinc/58/15/56/941581556.db2.gz PQZJNTMAMOFHHN-KDOFPFPSSA-N 1 0 353.491 3.806 20 30 FHEDRO CC[N@H+](CCC1CCN(c2nc3ccccn3c2C#N)CC1)CC1CC1 ZINC000541114098 941600727 /nfs/dbraw/zinc/60/07/27/941600727.db2.gz WZXJKMBKAYFHQX-UHFFFAOYSA-N 1 0 351.498 3.544 20 30 FHEDRO COc1cc(OC)c(OC)cc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000123388873 941602007 /nfs/dbraw/zinc/60/20/07/941602007.db2.gz VDPGJUCASRXKPB-UHFFFAOYSA-N 1 0 354.450 3.995 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])cc2)CC1 ZINC000565556741 941616500 /nfs/dbraw/zinc/61/65/00/941616500.db2.gz VMTGNFVWQAUXBJ-UHFFFAOYSA-N 1 0 366.421 3.552 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000565523812 941617308 /nfs/dbraw/zinc/61/73/08/941617308.db2.gz JIMSIVQGGPROIO-UHFFFAOYSA-N 1 0 353.491 3.828 20 30 FHEDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415144677 941632143 /nfs/dbraw/zinc/63/21/43/941632143.db2.gz CJXQNGYHLHSEHL-HXUWFJFHSA-N 1 0 350.422 3.553 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H]1C[NH3+] ZINC000415152823 941635894 /nfs/dbraw/zinc/63/58/94/941635894.db2.gz CFWYMRRKOGDGGT-WBVHZDCISA-N 1 0 364.449 3.799 20 30 FHEDRO C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H]1C[NH3+] ZINC000415151660 941639686 /nfs/dbraw/zinc/63/96/86/941639686.db2.gz APQSEELDUHGMNS-FOIQADDNSA-N 1 0 364.449 3.942 20 30 FHEDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415170030 941651925 /nfs/dbraw/zinc/65/19/25/941651925.db2.gz WNLGYPJOESNSLW-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)cc1F ZINC000415238592 941692913 /nfs/dbraw/zinc/69/29/13/941692913.db2.gz MAPAMZLINVKODR-AWEZNQCLSA-N 1 0 368.412 3.611 20 30 FHEDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415238437 941693261 /nfs/dbraw/zinc/69/32/61/941693261.db2.gz LNKYIYKAWPFXQE-CXAGYDPISA-N 1 0 368.412 3.609 20 30 FHEDRO CCC[NH2+]CCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415244697 941698098 /nfs/dbraw/zinc/69/80/98/941698098.db2.gz YKAOJQUOKRAYDD-UHFFFAOYSA-N 1 0 356.401 3.611 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)CCCC[NH+]3CCCC3)cn2)cc1 ZINC000729320194 941717813 /nfs/dbraw/zinc/71/78/13/941717813.db2.gz YMQZBKMNYUSCRI-UHFFFAOYSA-N 1 0 364.449 3.950 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000729343132 941725669 /nfs/dbraw/zinc/72/56/69/941725669.db2.gz HQSIEEBBLSGDKA-SEYXRHQNSA-N 1 0 369.509 3.715 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(OCc2nccn2C)cc1 ZINC000151143649 941760080 /nfs/dbraw/zinc/76/00/80/941760080.db2.gz HLRINOMHVPQXOS-OAHLLOKOSA-N 1 0 364.424 3.861 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000513226518 941797595 /nfs/dbraw/zinc/79/75/95/941797595.db2.gz JZZXKMSOBWEQNT-HXUWFJFHSA-N 1 0 350.462 3.646 20 30 FHEDRO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1Cl ZINC000122589829 941817111 /nfs/dbraw/zinc/81/71/11/941817111.db2.gz PNEOTEDBTDYBPF-IBGZPJMESA-N 1 0 353.853 3.779 20 30 FHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2[nH]cc(C(=O)OC)c2C2CC2)c1 ZINC000892972760 941826978 /nfs/dbraw/zinc/82/69/78/941826978.db2.gz LHWYPSHTANPQQB-MRXNPFEDSA-N 1 0 367.449 3.649 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(c3c[nH]c4ccc(C(N)=O)cc43)CC2)s1 ZINC000377626936 941851261 /nfs/dbraw/zinc/85/12/61/941851261.db2.gz LPDSTEUCINMESK-UHFFFAOYSA-N 1 0 364.474 3.580 20 30 FHEDRO COc1cc(C[N@@H+](C)C[C@H](C)OC)ccc1OCc1cccc(C#N)c1 ZINC000513316313 941851422 /nfs/dbraw/zinc/85/14/22/941851422.db2.gz CTEQYXHGJKQXNV-INIZCTEOSA-N 1 0 354.450 3.613 20 30 FHEDRO N#Cc1cc(NC(=O)N2CCC(C[NH3+])CC2)ccc1Oc1ccccc1 ZINC000415530594 941881421 /nfs/dbraw/zinc/88/14/21/941881421.db2.gz CGGBNUZBCLXLCW-UHFFFAOYSA-N 1 0 350.422 3.553 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[C@H]1[NH3+] ZINC000415532634 941882918 /nfs/dbraw/zinc/88/29/18/941882918.db2.gz GRLJAVANLNNIBV-KBXCAEBGSA-N 1 0 350.422 3.552 20 30 FHEDRO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(F)(C#N)CC2)[NH+](C)C)cc1 ZINC000513390957 941887011 /nfs/dbraw/zinc/88/70/11/941887011.db2.gz UWUBBBXINBQXRK-LJQANCHMSA-N 1 0 374.504 3.525 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[NH2+]1 ZINC000415540981 941887347 /nfs/dbraw/zinc/88/73/47/941887347.db2.gz ZQTHPVPRZTXUCF-YOEHRIQHSA-N 1 0 350.422 3.613 20 30 FHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000433844817 941933249 /nfs/dbraw/zinc/93/32/49/941933249.db2.gz UHFAHJYSPKAMGF-QGZVFWFLSA-N 1 0 357.502 3.501 20 30 FHEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000182588673 941945446 /nfs/dbraw/zinc/94/54/46/941945446.db2.gz QBHVDJIGNWHUEV-GOSISDBHSA-N 1 0 362.882 3.726 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000728711708 941987078 /nfs/dbraw/zinc/98/70/78/941987078.db2.gz HGBGNJSYRFSYKS-QGZVFWFLSA-N 1 0 363.461 3.503 20 30 FHEDRO CCOCCOc1ccc(Br)cc1C[NH2+]CC1(CC#N)CC1 ZINC000430021647 941990045 /nfs/dbraw/zinc/99/00/45/941990045.db2.gz MRDHXSRGPDJESK-UHFFFAOYSA-N 1 0 367.287 3.648 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000377852828 942035902 /nfs/dbraw/zinc/03/59/02/942035902.db2.gz UKVRUTYHJCJAGR-VGOFRKELSA-N 1 0 368.452 3.544 20 30 FHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000472888423 942040492 /nfs/dbraw/zinc/04/04/92/942040492.db2.gz ULCCOBQEWPAZSM-NHCUHLMSSA-N 1 0 359.473 3.835 20 30 FHEDRO C=CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434013697 942040643 /nfs/dbraw/zinc/04/06/43/942040643.db2.gz UNTKLZDOMONMOX-UNMCSNQZSA-N 1 0 351.494 3.771 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000513632098 942046830 /nfs/dbraw/zinc/04/68/30/942046830.db2.gz MZOYLSXSPWMFSC-QHCPKHFHSA-N 1 0 366.505 3.723 20 30 FHEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000415789652 942049755 /nfs/dbraw/zinc/04/97/55/942049755.db2.gz SUWHVJVOIXSJEU-KRWDZBQOSA-N 1 0 356.857 3.790 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415811789 942063854 /nfs/dbraw/zinc/06/38/54/942063854.db2.gz XVYTYGOBFSSAEQ-GDBMZVCRSA-N 1 0 366.490 3.910 20 30 FHEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415811856 942064064 /nfs/dbraw/zinc/06/40/64/942064064.db2.gz XYLREKKHRULGPR-LSDHHAIUSA-N 1 0 366.490 3.910 20 30 FHEDRO COc1ccc(OC)c([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000513672511 942066801 /nfs/dbraw/zinc/06/68/01/942066801.db2.gz KVAFSUWFYYHYIM-MRXNPFEDSA-N 1 0 365.477 3.895 20 30 FHEDRO N#CC1(COC(=O)c2cnc3cc[nH]c3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000893116235 942066927 /nfs/dbraw/zinc/06/69/27/942066927.db2.gz YAEWNQDVSPSPAZ-UHFFFAOYSA-N 1 0 374.444 3.526 20 30 FHEDRO C=C(C)[C@H](CC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)OCC ZINC000279997978 942087321 /nfs/dbraw/zinc/08/73/21/942087321.db2.gz KXLVJAQSWILVLG-NRFANRHFSA-N 1 0 373.541 3.774 20 30 FHEDRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000377970746 942108233 /nfs/dbraw/zinc/10/82/33/942108233.db2.gz SRQCRYTXYJUBHQ-ZQIUZPCESA-N 1 0 368.506 3.589 20 30 FHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(OC(F)F)c1 ZINC000161694396 942111371 /nfs/dbraw/zinc/11/13/71/942111371.db2.gz IEQTZOOLSCSTIJ-AWEZNQCLSA-N 1 0 372.419 3.874 20 30 FHEDRO N#CCCC[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1 ZINC000415973672 942210799 /nfs/dbraw/zinc/21/07/99/942210799.db2.gz NCVOSUQWYWYDRX-IBGZPJMESA-N 1 0 364.449 3.725 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C#N)s1)c1ccsc1 ZINC000420812725 942219866 /nfs/dbraw/zinc/21/98/66/942219866.db2.gz XMEBQUNKRQWFHQ-MRXNPFEDSA-N 1 0 362.524 3.564 20 30 FHEDRO N#CCCn1cc(C[NH+]2CCC(c3ccncn3)CC2)c(-c2ccccc2)n1 ZINC000414475079 942225448 /nfs/dbraw/zinc/22/54/48/942225448.db2.gz ZFBOTPMNZJLLPF-UHFFFAOYSA-N 1 0 372.476 3.633 20 30 FHEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000179649091 942264212 /nfs/dbraw/zinc/26/42/12/942264212.db2.gz LSQMMABRRSXRRA-GOSISDBHSA-N 1 0 365.477 3.718 20 30 FHEDRO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419654945 942336518 /nfs/dbraw/zinc/33/65/18/942336518.db2.gz XPCFIKLUQJRHIH-OAQYLSRUSA-N 1 0 368.525 3.699 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCOc4ccc(F)cc43)CC2)cc1 ZINC000513707788 942339106 /nfs/dbraw/zinc/33/91/06/942339106.db2.gz IVBJWDHPMJHFKA-FQEVSTJZSA-N 1 0 351.425 3.780 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000416102304 942348178 /nfs/dbraw/zinc/34/81/78/942348178.db2.gz ODLCSKHROOXZCT-YADHBBJMSA-N 1 0 359.473 3.716 20 30 FHEDRO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c(OC)c1 ZINC000502311724 942360581 /nfs/dbraw/zinc/36/05/81/942360581.db2.gz VTCDVNZBRCAHIB-UHFFFAOYSA-N 1 0 365.477 3.960 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416135655 942389506 /nfs/dbraw/zinc/38/95/06/942389506.db2.gz RLGCYTRLPTYRAC-UHFFFAOYSA-N 1 0 363.461 3.732 20 30 FHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000501319451 942399585 /nfs/dbraw/zinc/39/95/85/942399585.db2.gz TWRLTHPIVUWVDF-IBGZPJMESA-N 1 0 360.461 3.890 20 30 FHEDRO CC(C)(C#N)CCCC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511539408 942411631 /nfs/dbraw/zinc/41/16/31/942411631.db2.gz DSCZEQXDEGCFFJ-KRWDZBQOSA-N 1 0 353.304 3.966 20 30 FHEDRO COc1ccc(C[NH+]2CCC3(C[C@@H]3c3nnc(C(C)C)o3)CC2)cc1C#N ZINC000378249683 942457149 /nfs/dbraw/zinc/45/71/49/942457149.db2.gz QGDGIMMAPUUUHG-QGZVFWFLSA-N 1 0 366.465 3.843 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000505327759 942485401 /nfs/dbraw/zinc/48/54/01/942485401.db2.gz YNGNGPXLFLSFIA-SFHVURJKSA-N 1 0 369.896 3.895 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(NCc3ccc(C#N)c(F)c3)c2)CC1 ZINC000421330633 942487102 /nfs/dbraw/zinc/48/71/02/942487102.db2.gz BUTSNCIGTOUVSS-UHFFFAOYSA-N 1 0 352.457 3.840 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1C(F)(F)F ZINC000894247166 942492484 /nfs/dbraw/zinc/49/24/84/942492484.db2.gz SDPKZMJWDAGQJP-KDQUWOQTSA-N 1 0 360.420 3.816 20 30 FHEDRO N#Cc1ccc(C[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cc1F ZINC000421333185 942506835 /nfs/dbraw/zinc/50/68/35/942506835.db2.gz NQHIZUIBVGUJDP-UHFFFAOYSA-N 1 0 359.395 3.730 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001125870464 942509654 /nfs/dbraw/zinc/50/96/54/942509654.db2.gz HQIDISURJKVTIQ-AERCQKQUSA-N 1 0 353.510 3.665 20 30 FHEDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000421367952 942519798 /nfs/dbraw/zinc/51/97/98/942519798.db2.gz XDKJWBJWUAGZIM-UWJYYQICSA-N 1 0 350.462 3.588 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000513816498 942534255 /nfs/dbraw/zinc/53/42/55/942534255.db2.gz OUHJOVPXBZHIDN-NHCUHLMSSA-N 1 0 351.490 3.953 20 30 FHEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC(F)(F)F ZINC000414516419 942540661 /nfs/dbraw/zinc/54/06/61/942540661.db2.gz OUZLDCOTANHIBG-ZDUSSCGKSA-N 1 0 351.376 3.537 20 30 FHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 ZINC000513826652 942555702 /nfs/dbraw/zinc/55/57/02/942555702.db2.gz ZFTDJKZJZDXRKA-HSZRJFAPSA-N 1 0 361.489 3.709 20 30 FHEDRO N#Cc1cnc2c(Br)cccc2c1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420280358 942602755 /nfs/dbraw/zinc/60/27/55/942602755.db2.gz LCCUICQJUYWSEW-YPMHNXCESA-N 1 0 359.271 3.798 20 30 FHEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000183583069 942636446 /nfs/dbraw/zinc/63/64/46/942636446.db2.gz QDVAHADJAOXNLM-NVXWUHKLSA-N 1 0 350.418 3.703 20 30 FHEDRO Cc1c(C#N)c(C#N)ccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000421554828 942657126 /nfs/dbraw/zinc/65/71/26/942657126.db2.gz GZPIJFWVTZFJEW-UHFFFAOYSA-N 1 0 358.445 3.977 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000182094288 942668652 /nfs/dbraw/zinc/66/86/52/942668652.db2.gz OJMXBHXELRBGMK-SZFUDVHCSA-N 1 0 371.431 3.963 20 30 FHEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000545960905 942708126 /nfs/dbraw/zinc/70/81/26/942708126.db2.gz USHBLNXZISYPKN-DGCLKSJQSA-N 1 0 357.294 3.585 20 30 FHEDRO COc1cc(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)ccc1C#N ZINC000367037690 942735065 /nfs/dbraw/zinc/73/50/65/942735065.db2.gz UQWPOOXAXUQCJG-UHFFFAOYSA-N 1 0 364.371 3.688 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000502795478 942748309 /nfs/dbraw/zinc/74/83/09/942748309.db2.gz LGUKZMYQTBHDQZ-MRXNPFEDSA-N 1 0 368.308 3.930 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1cccs1 ZINC000416402356 942786642 /nfs/dbraw/zinc/78/66/42/942786642.db2.gz WSMCFJYBCCLDLC-ZWKOTPCHSA-N 1 0 368.506 3.599 20 30 FHEDRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000378459325 942793127 /nfs/dbraw/zinc/79/31/27/942793127.db2.gz ZCLCLBPNVWUNIY-NCYKPQTJSA-N 1 0 372.509 3.740 20 30 FHEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000378475753 942805559 /nfs/dbraw/zinc/80/55/59/942805559.db2.gz PFZWUAXFSOTJLI-DUXKGJEZSA-N 1 0 357.498 3.670 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2ccccc2)c1)C(=O)N(C)CCC#N ZINC000434634289 942810600 /nfs/dbraw/zinc/81/06/00/942810600.db2.gz RBXCTTIIBUBWDB-QZTJIDSGSA-N 1 0 365.477 3.677 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000514220253 942848153 /nfs/dbraw/zinc/84/81/53/942848153.db2.gz VLUXSBILQCGZRN-UHFFFAOYSA-N 1 0 368.437 3.799 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCSC(C)(C)CC2)c1C ZINC000434714616 942876774 /nfs/dbraw/zinc/87/67/74/942876774.db2.gz RKQXCIXTUIWMKS-UHFFFAOYSA-N 1 0 359.539 3.768 20 30 FHEDRO C=CCOc1c(Br)cc(C[N@H+](CC)[C@H](C)CO)cc1OCC ZINC000430088183 942882064 /nfs/dbraw/zinc/88/20/64/942882064.db2.gz JHZONXWOGPIJHH-CYBMUJFWSA-N 1 0 372.303 3.615 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)s1 ZINC000378554273 942884672 /nfs/dbraw/zinc/88/46/72/942884672.db2.gz VZSKEHYMARMTIK-SWLSCSKDSA-N 1 0 367.453 3.683 20 30 FHEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000509980110 942890969 /nfs/dbraw/zinc/89/09/69/942890969.db2.gz XNCVPBATYFAMTK-IBGZPJMESA-N 1 0 351.450 3.647 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1ccccc1F ZINC000431883990 942910481 /nfs/dbraw/zinc/91/04/81/942910481.db2.gz SJDFVXUKRJLXPS-UHFFFAOYSA-N 1 0 374.529 3.966 20 30 FHEDRO COC[C@]1(C[NH2+][C@H](C)c2cccc(C#N)c2)CCCN1C(=O)OC(C)(C)C ZINC000312234702 942926957 /nfs/dbraw/zinc/92/69/57/942926957.db2.gz ADVXJZXSCUWLMC-IIBYNOLFSA-N 1 0 373.497 3.625 20 30 FHEDRO C=CCC1(C(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)CCCCC1 ZINC000422028202 942944347 /nfs/dbraw/zinc/94/43/47/942944347.db2.gz XLPTWJDQBISMNP-UHFFFAOYSA-N 1 0 361.574 3.532 20 30 FHEDRO CC[C@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000505508899 942944911 /nfs/dbraw/zinc/94/49/11/942944911.db2.gz YHYZMZWGHBBSEP-PMACEKPBSA-N 1 0 356.514 3.600 20 30 FHEDRO CC[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000505508902 942945274 /nfs/dbraw/zinc/94/52/74/942945274.db2.gz YHYZMZWGHBBSEP-WOJBJXKFSA-N 1 0 356.514 3.600 20 30 FHEDRO COc1ccccc1CCC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000505512139 942956941 /nfs/dbraw/zinc/95/69/41/942956941.db2.gz AWVHUFCEVPROSP-UHFFFAOYSA-N 1 0 363.505 3.707 20 30 FHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000434840764 942996846 /nfs/dbraw/zinc/99/68/46/942996846.db2.gz CPJQYFXWDFVKED-OAQYLSRUSA-N 1 0 373.500 3.570 20 30 FHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000434840763 942996942 /nfs/dbraw/zinc/99/69/42/942996942.db2.gz CPJQYFXWDFVKED-NRFANRHFSA-N 1 0 373.500 3.570 20 30 FHEDRO CC(C)[N@@H+]1CCc2nc(CNc3ccccc3O[C@H](C)C#N)sc2C1 ZINC000378653328 943002249 /nfs/dbraw/zinc/00/22/49/943002249.db2.gz VXUWADVOPRKUFY-CQSZACIVSA-N 1 0 356.495 3.813 20 30 FHEDRO COc1ccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)cc1C#N ZINC000312269994 943015261 /nfs/dbraw/zinc/01/52/61/943015261.db2.gz OPMURNCHKLBFTH-SFHVURJKSA-N 1 0 373.497 3.740 20 30 FHEDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CCOC2(CCC2)C1 ZINC000330218869 943018040 /nfs/dbraw/zinc/01/80/40/943018040.db2.gz JSWOKUCBJYRHHS-SFHVURJKSA-N 1 0 363.546 3.781 20 30 FHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000416692601 943036837 /nfs/dbraw/zinc/03/68/37/943036837.db2.gz TZXWMBXDZBXGSM-UWJYYQICSA-N 1 0 368.525 3.747 20 30 FHEDRO COc1cc(C[NH2+]C(C)(C)C(C)(C)O)ccc1OCc1cccc(C#N)c1 ZINC000505562942 943039291 /nfs/dbraw/zinc/03/92/91/943039291.db2.gz YNRURBFSXBDNTM-UHFFFAOYSA-N 1 0 368.477 3.785 20 30 FHEDRO C[C@@H](CCO)C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCC1 ZINC000271848543 943060629 /nfs/dbraw/zinc/06/06/29/943060629.db2.gz SMNHTXOQUGSVQZ-SFHVURJKSA-N 1 0 366.509 3.742 20 30 FHEDRO COc1cc2c(cc1C[NH2+]CCSCc1ccccc1C#N)O[C@@H](C)C2 ZINC000514517818 943077888 /nfs/dbraw/zinc/07/78/88/943077888.db2.gz ZXXMNWAGDFPEHH-HNNXBMFYSA-N 1 0 368.502 3.913 20 30 FHEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)cc1 ZINC000271989327 943079630 /nfs/dbraw/zinc/07/96/30/943079630.db2.gz YWXRHATUXGHZQX-UHFFFAOYSA-N 1 0 359.495 3.530 20 30 FHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C1(CC)CC ZINC000434984708 943085811 /nfs/dbraw/zinc/08/58/11/943085811.db2.gz BRTXDGWFCDKKBK-JKSUJKDBSA-N 1 0 363.527 3.864 20 30 FHEDRO C[C@@H]1C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](C)S1 ZINC000072771343 943088308 /nfs/dbraw/zinc/08/83/08/943088308.db2.gz DEGAIOOWIZHPRF-CHWSQXEVSA-N 1 0 363.552 3.653 20 30 FHEDRO CC1=CC[N@H+](CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000503264101 943091990 /nfs/dbraw/zinc/09/19/90/943091990.db2.gz IRUBFMZKVDNZOJ-UHFFFAOYSA-N 1 0 361.445 3.732 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC000435034570 943103346 /nfs/dbraw/zinc/10/33/46/943103346.db2.gz NLEOXKZZTKFBKS-UHFFFAOYSA-N 1 0 373.500 3.892 20 30 FHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435037728 943106093 /nfs/dbraw/zinc/10/60/93/943106093.db2.gz YPWOMJZAMBYDGS-UHFFFAOYSA-N 1 0 361.489 3.748 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C2(c3cccc(C#N)c3)CC2)cc1 ZINC000435049376 943120152 /nfs/dbraw/zinc/12/01/52/943120152.db2.gz GGOWZYJNRNIHDV-UHFFFAOYSA-N 1 0 361.489 3.748 20 30 FHEDRO C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000505596233 943133499 /nfs/dbraw/zinc/13/34/99/943133499.db2.gz KZUCBGMQDXTSET-MGPUTAFESA-N 1 0 367.468 3.783 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1 ZINC000514597184 943137904 /nfs/dbraw/zinc/13/79/04/943137904.db2.gz IQWOEWBIRLRBDN-AKIFATBCSA-N 1 0 358.441 3.597 20 30 FHEDRO Cc1ccc([C@@H]2CCCN2[C@H]2CCN(c3sccc3C#N)C2=O)s1 ZINC000435066806 943139570 /nfs/dbraw/zinc/13/95/70/943139570.db2.gz PDUUINNPISIFDV-GJZGRUSLSA-N 1 0 357.504 3.932 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000108330760 943158131 /nfs/dbraw/zinc/15/81/31/943158131.db2.gz GOVFRNWZAOQSSK-HNNXBMFYSA-N 1 0 367.424 3.561 20 30 FHEDRO C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000505606193 943173842 /nfs/dbraw/zinc/17/38/42/943173842.db2.gz GQHUAWYWADEVMR-FOIQADDNSA-N 1 0 365.452 3.537 20 30 FHEDRO COCC[C@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)c1ccco1 ZINC000272577323 943180231 /nfs/dbraw/zinc/18/02/31/943180231.db2.gz PIFJPVXJWYBULU-KRWDZBQOSA-N 1 0 358.438 3.838 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2C#N)[NH+]2CCCC2)cc1 ZINC000435164053 943224952 /nfs/dbraw/zinc/22/49/52/943224952.db2.gz GSEYLQDJFHLDAZ-HXUWFJFHSA-N 1 0 366.440 3.964 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1OCc1ccccc1)C(=O)Nc1ccccc1C#N ZINC000503514658 943228575 /nfs/dbraw/zinc/22/85/75/943228575.db2.gz AELJBZCHONVSEX-ZLGUVYLKSA-N 1 0 363.461 3.613 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2Oc2cccc(C)c2)CC1 ZINC000435184437 943235320 /nfs/dbraw/zinc/23/53/20/943235320.db2.gz SECOUDYIULFAIG-NHCUHLMSSA-N 1 0 371.525 3.635 20 30 FHEDRO CC[NH+](CC)CCN(CCOC)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000514720590 943245884 /nfs/dbraw/zinc/24/58/84/943245884.db2.gz KOOPGFJPUOBRIB-UHFFFAOYSA-N 1 0 373.522 3.512 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H](CO)c2ccccc2Cl)c1 ZINC000514753887 943267514 /nfs/dbraw/zinc/26/75/14/943267514.db2.gz VSLJUHWGUDZDLC-KRWDZBQOSA-N 1 0 358.869 3.888 20 30 FHEDRO COCC[N@H+](C)CC[C@H](Nc1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000505640608 943275639 /nfs/dbraw/zinc/27/56/39/943275639.db2.gz XFNJJEFKAPHZNB-IBGZPJMESA-N 1 0 359.420 3.958 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435267756 943291520 /nfs/dbraw/zinc/29/15/20/943291520.db2.gz KTGGCNTXGUZCTN-SFHVURJKSA-N 1 0 366.509 3.939 20 30 FHEDRO C=CCC[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000435274066 943294814 /nfs/dbraw/zinc/29/48/14/943294814.db2.gz FWYCPXSMYKJLLM-FQEVSTJZSA-N 1 0 356.510 3.845 20 30 FHEDRO C[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000431917973 943311386 /nfs/dbraw/zinc/31/13/86/943311386.db2.gz CHBWKEALRMQVCB-HBFSDRIKSA-N 1 0 356.514 3.841 20 30 FHEDRO C=CCOc1ccccc1CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422904684 943326517 /nfs/dbraw/zinc/32/65/17/943326517.db2.gz HJAVLGJMHBBTOF-UNMCSNQZSA-N 1 0 352.478 3.843 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000503698238 943338397 /nfs/dbraw/zinc/33/83/97/943338397.db2.gz PACZMPBFLLOCDQ-UHFFFAOYSA-N 1 0 353.853 3.737 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435357416 943353693 /nfs/dbraw/zinc/35/36/93/943353693.db2.gz LDKXXGOPELGIBZ-PGRDOPGGSA-N 1 0 373.500 3.617 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435357415 943353780 /nfs/dbraw/zinc/35/37/80/943353780.db2.gz LDKXXGOPELGIBZ-GCJKJVERSA-N 1 0 373.500 3.617 20 30 FHEDRO C[C@@]1(CNC(=O)CCc2ccc(C#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000162348449 943371228 /nfs/dbraw/zinc/37/12/28/943371228.db2.gz DSTNFBLUCWYDDN-QHCPKHFHSA-N 1 0 361.489 3.662 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000431924708 943382532 /nfs/dbraw/zinc/38/25/32/943382532.db2.gz KRPIKBVWWQLPLW-FQEVSTJZSA-N 1 0 354.498 3.761 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@](C)(CCc3ccccc3)C2)CC1 ZINC000435415616 943389015 /nfs/dbraw/zinc/38/90/15/943389015.db2.gz CIVFWRSFDJEUGG-JOCHJYFZSA-N 1 0 355.526 3.691 20 30 FHEDRO C=CC[C@H](C)C(=O)N1CCC2(CCC[N@H+](Cc3scnc3C)C2)CC1 ZINC001269960093 943421710 /nfs/dbraw/zinc/42/17/10/943421710.db2.gz LYEHJFBPQLVSLD-INIZCTEOSA-N 1 0 361.555 3.868 20 30 FHEDRO CCCCCC(=O)N[C@@]12CC[C@@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001269974290 943462115 /nfs/dbraw/zinc/46/21/15/943462115.db2.gz KKMUYMSPRKSTLV-RTWAWAEBSA-N 1 0 356.514 3.528 20 30 FHEDRO C=CCOCCC(=O)N1C[C@@H]2CC[N@H+](C[C@@H](CC)CCCC)CC[C@@H]2C1 ZINC001269982156 943473807 /nfs/dbraw/zinc/47/38/07/943473807.db2.gz HQHYZGLFTOKXRF-PCCBWWKXSA-N 1 0 364.574 3.966 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)cc1 ZINC000109077830 943501659 /nfs/dbraw/zinc/50/16/59/943501659.db2.gz WAMASVDLWPBHBJ-YLJYHZDGSA-N 1 0 360.461 3.608 20 30 FHEDRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417369818 943552006 /nfs/dbraw/zinc/55/20/06/943552006.db2.gz RQSVFTDOKJMPJH-SJCJKPOMSA-N 1 0 359.271 3.573 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000425404879 943563033 /nfs/dbraw/zinc/56/30/33/943563033.db2.gz XAGZPHWSHQTJNP-MRXNPFEDSA-N 1 0 350.466 3.522 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000435727896 943571472 /nfs/dbraw/zinc/57/14/72/943571472.db2.gz GYZIRVAHCPSPCZ-VLIAUNLRSA-N 1 0 372.421 3.934 20 30 FHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cc(C)ccc1C ZINC000515246225 943594897 /nfs/dbraw/zinc/59/48/97/943594897.db2.gz QROXVJPOTUPIEA-OAQYLSRUSA-N 1 0 352.478 3.827 20 30 FHEDRO Cc1ccc(Cc2cnc(NC(=O)[C@H]([NH3+])CCCC#N)s2)cc1Cl ZINC000424069695 943707809 /nfs/dbraw/zinc/70/78/09/943707809.db2.gz QJCMGVAHNHONNB-OAHLLOKOSA-N 1 0 362.886 3.655 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000424105224 943720280 /nfs/dbraw/zinc/72/02/80/943720280.db2.gz VDEAZLWXCNSFQE-OALUTQOASA-N 1 0 355.869 3.761 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000558098381 943722525 /nfs/dbraw/zinc/72/25/25/943722525.db2.gz KECJNYBNTFJLBR-DYVFJYSZSA-N 1 0 350.304 3.625 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000424109507 943734938 /nfs/dbraw/zinc/73/49/38/943734938.db2.gz BDDUDYVTODTIBJ-RTBURBONSA-N 1 0 355.869 3.761 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000424113932 943738317 /nfs/dbraw/zinc/73/83/17/943738317.db2.gz PDJFLTIXOBBMDC-CVEARBPZSA-N 1 0 353.388 3.780 20 30 FHEDRO C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000424114419 943738586 /nfs/dbraw/zinc/73/85/86/943738586.db2.gz RCICTPRGRNOWHP-FOIQADDNSA-N 1 0 369.440 3.603 20 30 FHEDRO COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424117538 943740366 /nfs/dbraw/zinc/74/03/66/943740366.db2.gz CKYQCLFVXBWCPS-JXFKEZNVSA-N 1 0 365.477 3.903 20 30 FHEDRO CC(C)(C)[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116648 943740456 /nfs/dbraw/zinc/74/04/56/943740456.db2.gz XRUQETVZHMCIBV-GJZGRUSLSA-N 1 0 355.404 3.930 20 30 FHEDRO Cc1sc(NC(=O)[C@@H]([NH3+])CCCC#N)nc1-c1ccc2c(c1)CCC2 ZINC000424117828 943740931 /nfs/dbraw/zinc/74/09/31/943740931.db2.gz ZDJCIAYDEUTUID-INIZCTEOSA-N 1 0 354.479 3.567 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000424120890 943742165 /nfs/dbraw/zinc/74/21/65/943742165.db2.gz HVYPWDANIYAMKO-GOSISDBHSA-N 1 0 359.832 3.783 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000424122085 943742891 /nfs/dbraw/zinc/74/28/91/943742891.db2.gz IWYXYODZSKIMPI-LBPRGKRZSA-N 1 0 368.384 3.789 20 30 FHEDRO C=CCn1c([C@@H]2CCCS2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000424122319 943743105 /nfs/dbraw/zinc/74/31/05/943743105.db2.gz IRZGHRZQDBWAGB-INIZCTEOSA-N 1 0 351.564 3.587 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000424178422 943761285 /nfs/dbraw/zinc/76/12/85/943761285.db2.gz WCCIUSVRRVBDLD-PXNSSMCTSA-N 1 0 369.509 3.994 20 30 FHEDRO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCCC[C@@H]1C ZINC000435784541 943769772 /nfs/dbraw/zinc/76/97/72/943769772.db2.gz FRQUSGHZXPRUPP-ROUUACIJSA-N 1 0 366.509 3.938 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OCc1c(C)noc1C ZINC000424189793 943778570 /nfs/dbraw/zinc/77/85/70/943778570.db2.gz DYFZUILKOLLQSG-DOTOQJQBSA-N 1 0 355.438 3.661 20 30 FHEDRO C=CCn1cc(C[NH2+][C@H](CC)CCc2ccc(Br)cc2)nn1 ZINC000424292037 943822134 /nfs/dbraw/zinc/82/21/34/943822134.db2.gz FXRHCVREFNBTGL-MRXNPFEDSA-N 1 0 363.303 3.728 20 30 FHEDRO C=CCn1cc(C[NH2+][C@@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)nn1 ZINC000424293384 943823304 /nfs/dbraw/zinc/82/33/04/943823304.db2.gz IOVUIWFPGAIELW-RYUDHWBXSA-N 1 0 355.269 3.717 20 30 FHEDRO CC(C)c1[nH+]c(CN(C)CCOCc2ccc(C#N)cc2)c2ccccn21 ZINC000516931984 943842224 /nfs/dbraw/zinc/84/22/24/943842224.db2.gz WORYDZKOYMRZCH-UHFFFAOYSA-N 1 0 362.477 3.978 20 30 FHEDRO COC(=O)c1cnc([C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000424329610 943846242 /nfs/dbraw/zinc/84/62/42/943846242.db2.gz PPPHBZAYEGGZDV-GPWPYBQESA-N 1 0 369.490 3.984 20 30 FHEDRO C[C@@H]1C[C@@H](CCNc2nccc(C#N)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511641560 943929512 /nfs/dbraw/zinc/92/95/12/943929512.db2.gz CFGNPFFXAJOARR-NVXWUHKLSA-N 1 0 365.437 3.574 20 30 FHEDRO N#CCC[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000417920175 943952679 /nfs/dbraw/zinc/95/26/79/943952679.db2.gz QNIBHFYQVKBCIB-UXHICEINSA-N 1 0 350.466 3.811 20 30 FHEDRO C=CCCO[C@@H](C)C(=O)N(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000505001259 943954369 /nfs/dbraw/zinc/95/43/69/943954369.db2.gz QQEBLKLEGZVGRV-PZJWPPBQSA-N 1 0 358.526 3.871 20 30 FHEDRO N#Cc1ccc(C[NH2+]CCc2nnc(-c3ccccc3)o2)c(C(F)(F)F)c1 ZINC000517060073 943960468 /nfs/dbraw/zinc/96/04/68/943960468.db2.gz CMVSHKVJLHIZJT-UHFFFAOYSA-N 1 0 372.350 3.959 20 30 FHEDRO COc1ccccc1C[N@H+](CCOc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000515547162 943980579 /nfs/dbraw/zinc/98/05/79/943980579.db2.gz SLNKUNSAHCUNRE-OAQYLSRUSA-N 1 0 366.461 3.627 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000417942853 943985772 /nfs/dbraw/zinc/98/57/72/943985772.db2.gz UHVUCWAITDNADQ-RCBQFDQVSA-N 1 0 355.404 3.844 20 30 FHEDRO C=CCC[C@@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000417945793 943990931 /nfs/dbraw/zinc/99/09/31/943990931.db2.gz XVYFIPPLQQLLDB-JKSUJKDBSA-N 1 0 355.404 3.749 20 30 FHEDRO C=CCC1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000424589273 944009349 /nfs/dbraw/zinc/00/93/49/944009349.db2.gz JOHDQQDCBXROFS-IBGZPJMESA-N 1 0 370.537 3.908 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417985030 944037826 /nfs/dbraw/zinc/03/78/26/944037826.db2.gz DVRIXIZUMIPOMM-CKJXQJPGSA-N 1 0 362.477 3.583 20 30 FHEDRO CCC[NH2+]CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990756 944040138 /nfs/dbraw/zinc/04/01/38/944040138.db2.gz KSMQEHTVBJOBTD-INIZCTEOSA-N 1 0 350.466 3.585 20 30 FHEDRO C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418002338 944049893 /nfs/dbraw/zinc/04/98/93/944049893.db2.gz XJVLJRFJDQWGOK-HOTGVXAUSA-N 1 0 350.466 3.713 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417993769 944052287 /nfs/dbraw/zinc/05/22/87/944052287.db2.gz OIVBYPGCBHKGCF-HZUJVAHNSA-N 1 0 362.477 3.713 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000436142178 944052704 /nfs/dbraw/zinc/05/27/04/944052704.db2.gz PUJZWGYCLCGHEM-HNNXBMFYSA-N 1 0 351.450 3.764 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000436144830 944054907 /nfs/dbraw/zinc/05/49/07/944054907.db2.gz DOXJBNDPNQUFBE-UHFFFAOYSA-N 1 0 351.450 3.986 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000418035079 944082488 /nfs/dbraw/zinc/08/24/88/944082488.db2.gz UMWRLPCWCBVWJH-HXUWFJFHSA-N 1 0 373.447 3.795 20 30 FHEDRO C=C(C)[C@H](NC(=O)N(CC[NH3+])CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000418035067 944082568 /nfs/dbraw/zinc/08/25/68/944082568.db2.gz UMWRLPCWCBVWJH-FQEVSTJZSA-N 1 0 373.447 3.795 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000414913072 944082989 /nfs/dbraw/zinc/08/29/89/944082989.db2.gz VSAONMBKWZAFKN-KBXCAEBGSA-N 1 0 368.868 3.808 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000414913080 944083436 /nfs/dbraw/zinc/08/34/36/944083436.db2.gz VSAONMBKWZAFKN-KSSFIOAISA-N 1 0 368.868 3.808 20 30 FHEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000517190367 944087713 /nfs/dbraw/zinc/08/77/13/944087713.db2.gz NGYJQMSSXHKUCF-VFCRVFHLSA-N 1 0 355.482 3.602 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)c1 ZINC000517227287 944124755 /nfs/dbraw/zinc/12/47/55/944124755.db2.gz GZOLITDZOLNDTJ-UHFFFAOYSA-N 1 0 353.426 3.503 20 30 FHEDRO COc1cccc(C2(F)CC[NH+](CCOc3cccc(C#N)c3)CC2)c1 ZINC000500134469 944152563 /nfs/dbraw/zinc/15/25/63/944152563.db2.gz AMJXBABLVHONDT-UHFFFAOYSA-N 1 0 354.425 3.906 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccccc1I ZINC000436307125 944190368 /nfs/dbraw/zinc/19/03/68/944190368.db2.gz JYRPRNSXHCPXGB-IOASZLSFSA-N 1 0 371.262 3.923 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000418131703 944194232 /nfs/dbraw/zinc/19/42/32/944194232.db2.gz IEGLCIVABFZOFM-LJQANCHMSA-N 1 0 371.431 3.566 20 30 FHEDRO C[C@H]1CN(c2ccccc2C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000418139091 944198710 /nfs/dbraw/zinc/19/87/10/944198710.db2.gz DIZWTENHFGQXSI-JTSKRJEESA-N 1 0 361.489 3.951 20 30 FHEDRO COc1ccc(-n2cc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cn2)cc1 ZINC000418141919 944204371 /nfs/dbraw/zinc/20/43/71/944204371.db2.gz GPYNWLLBSFKTMK-JOCHJYFZSA-N 1 0 358.445 3.920 20 30 FHEDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000418152186 944205864 /nfs/dbraw/zinc/20/58/64/944205864.db2.gz YEYCUBFQMZUIIU-OAQYLSRUSA-N 1 0 357.461 3.923 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000500174760 944213082 /nfs/dbraw/zinc/21/30/82/944213082.db2.gz WBEXIISHAYSQAQ-WIYYLYMNSA-N 1 0 353.510 3.771 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(F)(c2cccc(OC)c2)CC1 ZINC000500175128 944213396 /nfs/dbraw/zinc/21/33/96/944213396.db2.gz ZDCJUQKNHFXZNH-KRWDZBQOSA-N 1 0 360.473 3.545 20 30 FHEDRO C=CC1CCN(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000111480893 944238604 /nfs/dbraw/zinc/23/86/04/944238604.db2.gz GNYRHZHCEYXMTM-UHFFFAOYSA-N 1 0 371.525 3.515 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000425530364 944251482 /nfs/dbraw/zinc/25/14/82/944251482.db2.gz FABSCEINDYGWDN-HNNXBMFYSA-N 1 0 353.491 3.588 20 30 FHEDRO Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)c2cc1C ZINC000425533060 944261829 /nfs/dbraw/zinc/26/18/29/944261829.db2.gz KCOGQXFJOWSEIK-XLIONFOSSA-N 1 0 362.477 3.579 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000418219257 944278814 /nfs/dbraw/zinc/27/88/14/944278814.db2.gz SCDGBRQPIYURIC-IBGZPJMESA-N 1 0 354.498 3.597 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000660361539 944292515 /nfs/dbraw/zinc/29/25/15/944292515.db2.gz SYGNPHDKXCQSCR-QGZVFWFLSA-N 1 0 359.489 3.788 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505823257 944323173 /nfs/dbraw/zinc/32/31/73/944323173.db2.gz CPESECFMDYZEPQ-PZJWPPBQSA-N 1 0 367.489 3.556 20 30 FHEDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)CC3 ZINC000123442535 944362032 /nfs/dbraw/zinc/36/20/32/944362032.db2.gz CNPUBCYAYMWOLF-INIZCTEOSA-N 1 0 361.445 3.574 20 30 FHEDRO Cc1cccc(N2CC[NH+](CCCCNc3nc(C)ccc3C#N)CC2)c1 ZINC000500263432 944371027 /nfs/dbraw/zinc/37/10/27/944371027.db2.gz SWROLVGQACIOMU-UHFFFAOYSA-N 1 0 363.509 3.584 20 30 FHEDRO CC[N@H+](CCNCc1cccc(OCc2ccccc2C#N)c1)C(C)C ZINC000517551156 944384411 /nfs/dbraw/zinc/38/44/11/944384411.db2.gz BBCMDDQCCLQQAD-UHFFFAOYSA-N 1 0 351.494 3.957 20 30 FHEDRO N#CCCC1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000517562452 944392296 /nfs/dbraw/zinc/39/22/96/944392296.db2.gz QECYEGWBMJQDIQ-UHFFFAOYSA-N 1 0 374.554 3.685 20 30 FHEDRO COc1cccc2c1CC[C@@H]([NH2+]CCSCc1ccccc1C#N)C2 ZINC000425955694 944398110 /nfs/dbraw/zinc/39/81/10/944398110.db2.gz AAULNJUOOVGPFB-LJQANCHMSA-N 1 0 352.503 3.947 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000517574128 944398958 /nfs/dbraw/zinc/39/89/58/944398958.db2.gz GWQOQJSPRUXJHN-SFHVURJKSA-N 1 0 370.497 3.733 20 30 FHEDRO C=CCn1c(CCc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000651517404 944412187 /nfs/dbraw/zinc/41/21/87/944412187.db2.gz LILDUEYUTLLHHT-UHFFFAOYSA-N 1 0 367.541 3.560 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000518496886 944443524 /nfs/dbraw/zinc/44/35/24/944443524.db2.gz LUIQHGVNANFNIL-UHFFFAOYSA-N 1 0 359.470 3.720 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000516038645 944449569 /nfs/dbraw/zinc/44/95/69/944449569.db2.gz WCVBRPXBGURLHX-YADHBBJMSA-N 1 0 350.462 3.625 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000046887578 944471521 /nfs/dbraw/zinc/47/15/21/944471521.db2.gz MZSHYQXKTBINRP-UHFFFAOYSA-N 1 0 364.493 3.742 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506530297 944488425 /nfs/dbraw/zinc/48/84/25/944488425.db2.gz GFDKUHQNYWVUEV-CALCHBBNSA-N 1 0 371.500 3.603 20 30 FHEDRO C=CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H](C)COC ZINC000664841595 944492381 /nfs/dbraw/zinc/49/23/81/944492381.db2.gz RNEJSUFZVVNIBQ-AZUAARDMSA-N 1 0 373.541 3.520 20 30 FHEDRO COc1ccc(C#N)cc1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000438327147 944512661 /nfs/dbraw/zinc/51/26/61/944512661.db2.gz XAEFBIMCWBUQRO-OAQYLSRUSA-N 1 0 350.462 3.829 20 30 FHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1C(C)C ZINC000047010634 944518530 /nfs/dbraw/zinc/51/85/30/944518530.db2.gz WPSJFUSLWXSTRV-UHFFFAOYSA-N 1 0 366.509 3.762 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439333321 944530664 /nfs/dbraw/zinc/53/06/64/944530664.db2.gz VPDWFNSOIVCDFD-SFHVURJKSA-N 1 0 365.880 3.655 20 30 FHEDRO CO[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@H]1C ZINC000467384809 944579751 /nfs/dbraw/zinc/57/97/51/944579751.db2.gz XSBBGNXJGCMEBQ-VGOFRKELSA-N 1 0 350.462 3.994 20 30 FHEDRO COc1cc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)ccc1C#N ZINC000550263782 944599873 /nfs/dbraw/zinc/59/98/73/944599873.db2.gz URJKKAKGAJLIDZ-UHFFFAOYSA-N 1 0 354.425 3.587 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516242160 944610966 /nfs/dbraw/zinc/61/09/66/944610966.db2.gz FTBPBRINVDVGNC-OTWHNJEPSA-N 1 0 370.541 3.846 20 30 FHEDRO C=CCOC(=O)[C@@H](Nc1cc(Br)cc2c[nH+]cn21)[C@@H](C)CC ZINC001167962805 944615496 /nfs/dbraw/zinc/61/54/96/944615496.db2.gz VOUSWFKCOKQIRE-NHYWBVRUSA-N 1 0 366.259 3.653 20 30 FHEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000438472074 944633311 /nfs/dbraw/zinc/63/33/11/944633311.db2.gz WFKCQXQTFFMKKJ-OAQYLSRUSA-N 1 0 350.462 3.791 20 30 FHEDRO N#Cc1ccc(CN(C(=O)NCC[NH2+]C2CCCCCC2)C2CC2)cc1 ZINC000418463319 944647572 /nfs/dbraw/zinc/64/75/72/944647572.db2.gz ONWVPUPITSOMEO-UHFFFAOYSA-N 1 0 354.498 3.545 20 30 FHEDRO CSCCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000439483193 944685779 /nfs/dbraw/zinc/68/57/79/944685779.db2.gz GIWIHSKQJVQURK-CYBMUJFWSA-N 1 0 365.568 3.901 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000429801372 944729891 /nfs/dbraw/zinc/72/98/91/944729891.db2.gz LXWVJYQWZNFZMD-ZIAGYGMSSA-N 1 0 355.507 3.932 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COc2ccccc2C#N)cc1 ZINC000053720526 944746162 /nfs/dbraw/zinc/74/61/62/944746162.db2.gz LSIHVZNJNMEGQT-QGZVFWFLSA-N 1 0 363.461 3.950 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000566765064 944760959 /nfs/dbraw/zinc/76/09/59/944760959.db2.gz WPSSXUNEFMBVDD-UHFFFAOYSA-N 1 0 371.488 3.579 20 30 FHEDRO CC(C)[NH+](CCN(C)C(=O)Nc1cc(C#N)ccc1OC(F)F)C(C)C ZINC000506938317 944782234 /nfs/dbraw/zinc/78/22/34/944782234.db2.gz CYLYPHOEUVXZTP-UHFFFAOYSA-N 1 0 368.428 3.742 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000517890622 944798792 /nfs/dbraw/zinc/79/87/92/944798792.db2.gz ANOYUDXJTOLVDW-QGZVFWFLSA-N 1 0 364.449 3.875 20 30 FHEDRO COc1ccccc1/C=C\C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518819518 944815092 /nfs/dbraw/zinc/81/50/92/944815092.db2.gz LRVXJHUSWUYTPU-OCTSTCLRSA-N 1 0 365.452 3.978 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000425654389 944835478 /nfs/dbraw/zinc/83/54/78/944835478.db2.gz BDTLKHQZBPEHFD-FPOVZHCZSA-N 1 0 371.525 3.674 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000566787214 944842940 /nfs/dbraw/zinc/84/29/40/944842940.db2.gz LHXZPPXIVONKDN-TZIWHRDSSA-N 1 0 366.509 3.596 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000518852234 944865155 /nfs/dbraw/zinc/86/51/55/944865155.db2.gz GPCGSPFWWPQTAB-ZWKOTPCHSA-N 1 0 353.514 3.516 20 30 FHEDRO N#CCCn1cc(C[NH2+]CC2CCC(F)(F)CC2)c(-c2ccncc2)n1 ZINC000500428113 944888899 /nfs/dbraw/zinc/88/88/99/944888899.db2.gz KDVYFEBDYGVNGT-UHFFFAOYSA-N 1 0 359.424 3.774 20 30 FHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000506654902 944898126 /nfs/dbraw/zinc/89/81/26/944898126.db2.gz QSHABPAHODIRMW-RDTXWAMCSA-N 1 0 367.449 3.643 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000506664401 944931337 /nfs/dbraw/zinc/93/13/37/944931337.db2.gz VYTJPYYAPPORRU-UHFFFAOYSA-N 1 0 365.473 3.958 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(C1CCC1)C1CCC1 ZINC000516506737 944942202 /nfs/dbraw/zinc/94/22/02/944942202.db2.gz KTTCEQYTXYYFBC-UHFFFAOYSA-N 1 0 353.510 3.665 20 30 FHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000518032381 944952496 /nfs/dbraw/zinc/95/24/96/944952496.db2.gz XOSDVQYPJNWDOC-UHFFFAOYSA-N 1 0 367.424 3.705 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC(F)F)CC1 ZINC000425694124 944953836 /nfs/dbraw/zinc/95/38/36/944953836.db2.gz VXNHVRIEGCDLPW-UHFFFAOYSA-N 1 0 359.804 3.713 20 30 FHEDRO C[NH+](C)Cc1cc(CNC(=O)Nc2ccc(C#N)cc2Cl)ccc1F ZINC000426125981 944957191 /nfs/dbraw/zinc/95/71/91/944957191.db2.gz CVZBUYFATLMKCL-UHFFFAOYSA-N 1 0 360.820 3.734 20 30 FHEDRO COc1cccc(CN2CCN(c3ccccc3C#N)CC2)c1OC(C)C ZINC000506338317 944961446 /nfs/dbraw/zinc/96/14/46/944961446.db2.gz FOBRDNCNRWTWMM-UHFFFAOYSA-N 1 0 365.477 3.676 20 30 FHEDRO Cc1ccc([C@@H](CNC(=S)Nc2ccccc2C#N)[NH+]2CCCC2)cc1 ZINC000140443713 944965478 /nfs/dbraw/zinc/96/54/78/944965478.db2.gz KKXACZPXGXSKQV-HXUWFJFHSA-N 1 0 364.518 3.990 20 30 FHEDRO CCCCCCCCC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001270163251 944967695 /nfs/dbraw/zinc/96/76/95/944967695.db2.gz AGMPZOCPFHPPAO-NRFANRHFSA-N 1 0 360.546 3.975 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCC[N@H+]3CC=CCC3)cc2)c1 ZINC000432063026 944971371 /nfs/dbraw/zinc/97/13/71/944971371.db2.gz ARQKNROFXLEKGK-UHFFFAOYSA-N 1 0 362.433 3.734 20 30 FHEDRO CCCOc1cc(CN2CCN(c3ccccc3C#N)CC2)ccc1OC ZINC000506342927 944981694 /nfs/dbraw/zinc/98/16/94/944981694.db2.gz UXBYBYMPBUJWFX-UHFFFAOYSA-N 1 0 365.477 3.678 20 30 FHEDRO CC(C)C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000425708329 944991186 /nfs/dbraw/zinc/99/11/86/944991186.db2.gz ZMTZQBLCXBOWGX-XEYPJELSSA-N 1 0 356.514 3.743 20 30 FHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000426135131 945003949 /nfs/dbraw/zinc/00/39/49/945003949.db2.gz BWNLPOSAYQFAFL-UHFFFAOYSA-N 1 0 368.868 3.998 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(CC#N)cc1 ZINC000511744416 945005633 /nfs/dbraw/zinc/00/56/33/945005633.db2.gz PDRBAJAKQUPLPB-OAQYLSRUSA-N 1 0 361.489 3.783 20 30 FHEDRO CC(C)n1cc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cn1 ZINC000437102537 945010430 /nfs/dbraw/zinc/01/04/30/945010430.db2.gz GVGFQYVWECURDG-VNCLNFNDSA-N 1 0 353.470 3.771 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccc(F)cc1 ZINC000507171446 945020422 /nfs/dbraw/zinc/02/04/22/945020422.db2.gz VIRPCNPLXYZMLD-IBGZPJMESA-N 1 0 371.431 3.533 20 30 FHEDRO N#Cc1ccc(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c(Cl)c1 ZINC000426151002 945029939 /nfs/dbraw/zinc/02/99/39/945029939.db2.gz UPQKDFWOZOGNCU-UHFFFAOYSA-N 1 0 369.787 3.858 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000518130918 945055661 /nfs/dbraw/zinc/05/56/61/945055661.db2.gz HFLDMKYTYKBRHV-JLTOFOAXSA-N 1 0 364.449 3.779 20 30 FHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@]2(CCCOC2)O1 ZINC000330140343 945374491 /nfs/dbraw/zinc/37/44/91/945374491.db2.gz WWVZWAFCKJEIRD-RDTXWAMCSA-N 1 0 352.862 3.588 20 30 FHEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330162620 945382170 /nfs/dbraw/zinc/38/21/70/945382170.db2.gz SJGJUZWSKWEZRX-WMZOPIPTSA-N 1 0 362.470 3.619 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000330189380 945394414 /nfs/dbraw/zinc/39/44/14/945394414.db2.gz LTHMDHCJQCSAMM-HZPDHXFCSA-N 1 0 374.460 3.635 20 30 FHEDRO CC[C@H](C)[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330207829 945402999 /nfs/dbraw/zinc/40/29/99/945402999.db2.gz AOSOAPKOELXSTP-FFGOWVMKSA-N 1 0 365.562 3.569 20 30 FHEDRO C[C@H]1C(=O)Nc2cc(C(=O)NC3CC[NH+](C4CCCC4)CC3)ccc2N1C ZINC000330221178 945409063 /nfs/dbraw/zinc/40/90/63/945409063.db2.gz LJZNAAKHAOVWCQ-AWEZNQCLSA-N 1 0 370.497 3.825 20 30 FHEDRO O=C(N[C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000330225698 945411915 /nfs/dbraw/zinc/41/19/15/945411915.db2.gz OHMMUASEKVUPDK-WOJBJXKFSA-N 1 0 372.509 3.583 20 30 FHEDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@H]1CCOC2(CCC2)C1 ZINC000330237566 945416734 /nfs/dbraw/zinc/41/67/34/945416734.db2.gz ZOQKBOOFZFFHDB-OALUTQOASA-N 1 0 363.546 3.636 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(=O)Nc2ccc(F)cc2)CC1 ZINC000507658579 945427610 /nfs/dbraw/zinc/42/76/10/945427610.db2.gz GYNFODDVFBZJFA-UHFFFAOYSA-N 1 0 351.425 3.758 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000330261923 945431730 /nfs/dbraw/zinc/43/17/30/945431730.db2.gz UOTAKFXQHWRVCU-JKSUJKDBSA-N 1 0 365.543 3.771 20 30 FHEDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000519450813 945437828 /nfs/dbraw/zinc/43/78/28/945437828.db2.gz JYPRWHNUADMCHV-MRXNPFEDSA-N 1 0 360.527 3.886 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001126570116 945453194 /nfs/dbraw/zinc/45/31/94/945453194.db2.gz YWRDFKRNIGEUEE-QIJUGHKUSA-N 1 0 361.489 3.711 20 30 FHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301274029 945463901 /nfs/dbraw/zinc/46/39/01/945463901.db2.gz RKZXQIGSSPVWKG-HNNXBMFYSA-N 1 0 372.419 3.772 20 30 FHEDRO CC(C)C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(C#N)cc1 ZINC000507719399 945473845 /nfs/dbraw/zinc/47/38/45/945473845.db2.gz SEMVCQUDISIPNS-UHFFFAOYSA-N 1 0 370.522 3.510 20 30 FHEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1OC ZINC000280947101 945476679 /nfs/dbraw/zinc/47/66/79/945476679.db2.gz RHAVSNUPZAZCFS-JKSUJKDBSA-N 1 0 354.450 3.888 20 30 FHEDRO N#Cc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1Cl ZINC000519492368 945482718 /nfs/dbraw/zinc/48/27/18/945482718.db2.gz GLQGQFYPYBORCM-IAGOWNOFSA-N 1 0 352.869 3.565 20 30 FHEDRO N#Cc1csc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000438063859 945492018 /nfs/dbraw/zinc/49/20/18/945492018.db2.gz RMAVRMXOPNRKOG-UHFFFAOYSA-N 1 0 353.491 3.926 20 30 FHEDRO CCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccccc1CC ZINC000027057354 945507214 /nfs/dbraw/zinc/50/72/14/945507214.db2.gz QQVUOAZYSNBNHN-UHFFFAOYSA-O 1 0 353.467 3.831 20 30 FHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000330309824 945510507 /nfs/dbraw/zinc/51/05/07/945510507.db2.gz MZGRADCMHFTVPF-BXKDBHETSA-N 1 0 350.875 3.579 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2NCCCC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000281191164 945549661 /nfs/dbraw/zinc/54/96/61/945549661.db2.gz MOIQMYAHWANPTA-KDURUIRLSA-N 1 0 371.525 3.808 20 30 FHEDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000550308941 945585048 /nfs/dbraw/zinc/58/50/48/945585048.db2.gz BMCQAKBIQZFHDM-VGSWGCGISA-N 1 0 350.462 3.778 20 30 FHEDRO N#CC1(CCC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000281296603 945590712 /nfs/dbraw/zinc/59/07/12/945590712.db2.gz JQCGGCVZBOMXLE-QZTJIDSGSA-N 1 0 366.864 3.999 20 30 FHEDRO Cc1cc(-c2noc([C@H](C)[NH2+]CCCC3(C#N)CCOCC3)n2)ccc1F ZINC000281356556 945603869 /nfs/dbraw/zinc/60/38/69/945603869.db2.gz NMZZUEAGKOVYSL-HNNXBMFYSA-N 1 0 372.444 3.935 20 30 FHEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000519713524 945690294 /nfs/dbraw/zinc/69/02/94/945690294.db2.gz WSRGKHUMNUNLBM-UHFFFAOYSA-N 1 0 355.457 3.687 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000661115559 945739650 /nfs/dbraw/zinc/73/96/50/945739650.db2.gz DIQRQEKEKSYWNE-FUHWJXTLSA-N 1 0 367.497 3.752 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000661119678 945745678 /nfs/dbraw/zinc/74/56/78/945745678.db2.gz VSTNESIOIBGFGS-ZBFHGGJFSA-N 1 0 358.404 3.895 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000661116251 945748837 /nfs/dbraw/zinc/74/88/37/945748837.db2.gz XGGFWZZVBJIOKK-RBBKRZOGSA-N 1 0 370.537 3.919 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000661117695 945749852 /nfs/dbraw/zinc/74/98/52/945749852.db2.gz UEPFWCDSLYAWBV-GDBMZVCRSA-N 1 0 373.888 3.584 20 30 FHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)c(OC)c3)ccc2NC1=O ZINC000281575736 945774388 /nfs/dbraw/zinc/77/43/88/945774388.db2.gz CVPTZLJMSWZCQS-ACJLOTCBSA-N 1 0 365.433 3.527 20 30 FHEDRO C[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccc(OCC#N)cc1 ZINC000281704735 945817651 /nfs/dbraw/zinc/81/76/51/945817651.db2.gz SYMVFNBMPWFLCK-ZDUSSCGKSA-N 1 0 365.355 3.776 20 30 FHEDRO COc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)ccc1C#N ZINC000281716052 945820247 /nfs/dbraw/zinc/82/02/47/945820247.db2.gz OXPJRWFUQSYXBM-UHFFFAOYSA-N 1 0 358.388 3.641 20 30 FHEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)C1 ZINC000651750009 945829409 /nfs/dbraw/zinc/82/94/09/945829409.db2.gz RNCUSPSKNJRMRT-WRWLIDTKSA-N 1 0 355.482 3.861 20 30 FHEDRO Cc1cccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000519907875 945871935 /nfs/dbraw/zinc/87/19/35/945871935.db2.gz MLTVBGPTSAAGDY-OAQYLSRUSA-N 1 0 352.478 3.765 20 30 FHEDRO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(C#N)cc1)C2 ZINC001271562280 945883191 /nfs/dbraw/zinc/88/31/91/945883191.db2.gz PWITYCPPJYRICP-DSKINZAPSA-N 1 0 353.510 3.921 20 30 FHEDRO O=C1CCCCN1C1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000120416133 945886264 /nfs/dbraw/zinc/88/62/64/945886264.db2.gz TUNYTKNXJBYYTO-UHFFFAOYSA-N 1 0 364.411 3.534 20 30 FHEDRO CC1(C)CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[C@H]1C(F)(F)F ZINC000248719684 945887593 /nfs/dbraw/zinc/88/75/93/945887593.db2.gz LNKUHMKNWFOXDD-JKSUJKDBSA-N 1 0 365.399 3.574 20 30 FHEDRO N#CC1CCC(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000281911321 945917588 /nfs/dbraw/zinc/91/75/88/945917588.db2.gz RHNZGTXFFOFSFC-DAWZGUTISA-N 1 0 374.554 3.589 20 30 FHEDRO COc1cc(C[NH2+]C[C@@H](c2ccccc2OC)N2CCCC2)ccc1C#N ZINC000440810886 945935689 /nfs/dbraw/zinc/93/56/89/945935689.db2.gz WUEIJUHTXWAZGE-FQEVSTJZSA-N 1 0 365.477 3.502 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000439694934 945940373 /nfs/dbraw/zinc/94/03/73/945940373.db2.gz JUBMMPRQEMTDPJ-HXUWFJFHSA-N 1 0 371.525 3.734 20 30 FHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024664976 945940838 /nfs/dbraw/zinc/94/08/38/945940838.db2.gz VDGYVCRZGSEXIH-NVXWUHKLSA-N 1 0 374.444 3.906 20 30 FHEDRO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=[NH2+])Nc1cccc(C)c1)O[C@@H](C)C2 ZINC000262503873 945970712 /nfs/dbraw/zinc/97/07/12/945970712.db2.gz ATODUYJIASYGNS-FNHZYXHNSA-N 1 0 365.477 4.000 20 30 FHEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000651822379 946025160 /nfs/dbraw/zinc/02/51/60/946025160.db2.gz UZUHABFRDOEUGK-GCJKJVERSA-N 1 0 355.526 3.944 20 30 FHEDRO CC[N@H+]([C@H](C)c1cccc(O)c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248734809 946025058 /nfs/dbraw/zinc/02/50/58/946025058.db2.gz KLRACRWYCOEKEV-IIBYNOLFSA-N 1 0 363.461 3.842 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)CCC[NH2+]1 ZINC000662804527 946027734 /nfs/dbraw/zinc/02/77/34/946027734.db2.gz ANJSRXPMTFYCTA-IBGZPJMESA-N 1 0 373.547 3.763 20 30 FHEDRO C=CCNC(=O)C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC000440933597 946051843 /nfs/dbraw/zinc/05/18/43/946051843.db2.gz GTKASNMFJBGEDA-UHFFFAOYSA-N 1 0 365.315 3.586 20 30 FHEDRO N#Cc1ccc(NCC2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000141129746 946067158 /nfs/dbraw/zinc/06/71/58/946067158.db2.gz DXJAUDVQQSUYNW-UHFFFAOYSA-N 1 0 356.451 3.852 20 30 FHEDRO C[C@H](NC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(Cl)cc1Cl ZINC000262507253 946075380 /nfs/dbraw/zinc/07/53/80/946075380.db2.gz BQPJFECWTIRZOV-ZEQHWRKHSA-N 1 0 356.297 3.772 20 30 FHEDRO N#Cc1ccc(NC(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1Cl ZINC000444208357 946076626 /nfs/dbraw/zinc/07/66/26/946076626.db2.gz ACZQVXCAKDPRNN-QGZVFWFLSA-N 1 0 361.873 3.574 20 30 FHEDRO CC1CCC([N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]2CCCO2)CC1 ZINC000444212804 946080681 /nfs/dbraw/zinc/08/06/81/946080681.db2.gz NKFCJYNLUVAWKD-UUKMXZOPSA-N 1 0 369.509 3.947 20 30 FHEDRO C[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000441002325 946101947 /nfs/dbraw/zinc/10/19/47/946101947.db2.gz VECQTFSHIOOPRX-ZMTPEHOPSA-N 1 0 368.525 3.621 20 30 FHEDRO CC[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000441004458 946103006 /nfs/dbraw/zinc/10/30/06/946103006.db2.gz ZXOUSFDPVBPUCW-GZNCHQMQSA-N 1 0 368.525 3.622 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CCSCC1 ZINC000151766593 946121995 /nfs/dbraw/zinc/12/19/95/946121995.db2.gz NBZWBDCKJLYJIO-HNNXBMFYSA-N 1 0 367.474 3.726 20 30 FHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC1CCC(C#N)CC1 ZINC000441020890 946122584 /nfs/dbraw/zinc/12/25/84/946122584.db2.gz JOXZENRSVRHGDR-GZNCHQMQSA-N 1 0 370.541 3.772 20 30 FHEDRO C=CCCCN(C)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000522945145 946142362 /nfs/dbraw/zinc/14/23/62/946142362.db2.gz PPOYCEFNRNUWFL-SFHVURJKSA-N 1 0 354.416 3.866 20 30 FHEDRO CC(C)[C@@H](CNCc1ccc(N(C)CCC#N)cc1)[NH+]1CCC(C)CC1 ZINC000236728398 946219930 /nfs/dbraw/zinc/21/99/30/946219930.db2.gz BYQBQCSHSXCWTR-JOCHJYFZSA-N 1 0 356.558 3.883 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCC[C@H](SC)C1 ZINC000441112633 946221516 /nfs/dbraw/zinc/22/15/16/946221516.db2.gz LMNDJFZKVFCJGJ-HOTGVXAUSA-N 1 0 352.569 3.869 20 30 FHEDRO COc1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000520173878 946226948 /nfs/dbraw/zinc/22/69/48/946226948.db2.gz FZZNWYWFEJMJSL-UHFFFAOYSA-N 1 0 351.450 3.664 20 30 FHEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1F ZINC000520174030 946229754 /nfs/dbraw/zinc/22/97/54/946229754.db2.gz OYZKGHQNRQTAGI-IBGZPJMESA-N 1 0 356.441 3.595 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](C(C)C)C2)c1C#N ZINC000438492742 946256876 /nfs/dbraw/zinc/25/68/76/946256876.db2.gz PRMCXDMHQFGJEJ-KRWDZBQOSA-N 1 0 368.481 3.534 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@H](CC#N)C2)CC1 ZINC000595511074 946308384 /nfs/dbraw/zinc/30/83/84/946308384.db2.gz OTQBIDVSWREANH-ZWKOTPCHSA-N 1 0 354.498 3.547 20 30 FHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000520258245 946311097 /nfs/dbraw/zinc/31/10/97/946311097.db2.gz HNMXIJTYIZFIKX-ICSRJNTNSA-N 1 0 371.573 3.898 20 30 FHEDRO N#CCCOCC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000549553799 946338791 /nfs/dbraw/zinc/33/87/91/946338791.db2.gz FXBICDJPJWMAFT-INIZCTEOSA-N 1 0 355.251 3.949 20 30 FHEDRO C[N@H+](CC#Cc1ccccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000441265490 946371762 /nfs/dbraw/zinc/37/17/62/946371762.db2.gz SYAUWKZXGUSVFG-UHFFFAOYSA-N 1 0 366.892 3.928 20 30 FHEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043136829 946371686 /nfs/dbraw/zinc/37/16/86/946371686.db2.gz QUUAVVDTCXCDMO-IBGZPJMESA-N 1 0 366.465 3.520 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-c3ccccn3)cc2)CC1 ZINC000520294739 946374036 /nfs/dbraw/zinc/37/40/36/946374036.db2.gz PAOYOTOTAFPPSU-UHFFFAOYSA-N 1 0 350.466 3.911 20 30 FHEDRO N#Cc1cnc2ccccc2c1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000520319929 946415964 /nfs/dbraw/zinc/41/59/64/946415964.db2.gz CSDYVSAIAPSNNE-UHFFFAOYSA-N 1 0 365.440 3.981 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000896992942 946416730 /nfs/dbraw/zinc/41/67/30/946416730.db2.gz HFSNPCQNODOQHO-SOLBZPMBSA-N 1 0 373.497 3.570 20 30 FHEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000441332192 946464245 /nfs/dbraw/zinc/46/42/45/946464245.db2.gz QLKFLQAJHGNLSG-FGZHOGPDSA-N 1 0 361.489 3.751 20 30 FHEDRO COc1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1C#N ZINC000441341155 946489616 /nfs/dbraw/zinc/48/96/16/946489616.db2.gz MMYOBJMOGHVEHW-UHFFFAOYSA-N 1 0 365.311 3.784 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000049636135 946493069 /nfs/dbraw/zinc/49/30/69/946493069.db2.gz HKAWRJVLIZIBGJ-UHFFFAOYSA-N 1 0 351.450 3.726 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)c1 ZINC000066905720 946502918 /nfs/dbraw/zinc/50/29/18/946502918.db2.gz CXGHCDLKHMCMGL-RPWUZVMVSA-N 1 0 370.452 3.885 20 30 FHEDRO Cn1cc(C[NH2+]Cc2ccc(OCC#N)cc2)c(-c2ccccc2Cl)n1 ZINC000066906029 946503578 /nfs/dbraw/zinc/50/35/78/946503578.db2.gz XJCLLBFAGQFBEG-UHFFFAOYSA-N 1 0 366.852 3.933 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441369139 946520877 /nfs/dbraw/zinc/52/08/77/946520877.db2.gz CRUNQRHRMIQMMV-FQEVSTJZSA-N 1 0 365.477 3.849 20 30 FHEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000441371805 946521680 /nfs/dbraw/zinc/52/16/80/946521680.db2.gz ALDUTUBMPSCPJL-FGZHOGPDSA-N 1 0 361.489 3.751 20 30 FHEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000441371806 946521864 /nfs/dbraw/zinc/52/18/64/946521864.db2.gz ALDUTUBMPSCPJL-VXKWHMMOSA-N 1 0 361.489 3.751 20 30 FHEDRO N#CC1CCC(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000441375614 946528271 /nfs/dbraw/zinc/52/82/71/946528271.db2.gz YXGBPDIKPMJGTC-UHFFFAOYSA-N 1 0 364.280 3.994 20 30 FHEDRO COCC(C)(C)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055422 946541909 /nfs/dbraw/zinc/54/19/09/946541909.db2.gz OSLZGMVMUSMNLQ-DTORHVGOSA-N 1 0 369.296 3.762 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000066904954 946583310 /nfs/dbraw/zinc/58/33/10/946583310.db2.gz PYEOWVZVUUWVSP-UHFFFAOYSA-N 1 0 361.489 3.854 20 30 FHEDRO Cc1ccc(OC(F)F)c(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000262441845 946589967 /nfs/dbraw/zinc/58/99/67/946589967.db2.gz USKHIVUGEZWKMN-OAHLLOKOSA-N 1 0 361.392 3.525 20 30 FHEDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905655 946594786 /nfs/dbraw/zinc/59/47/86/946594786.db2.gz HLQDJRCJQLEEBZ-IAGOWNOFSA-N 1 0 365.477 3.530 20 30 FHEDRO CCC[N@H+](CCOc1ccccc1C#N)CC(=O)Nc1ccc(Cl)cc1 ZINC001167990322 946634516 /nfs/dbraw/zinc/63/45/16/946634516.db2.gz QQSUJKBHIGZIAK-UHFFFAOYSA-N 1 0 371.868 3.941 20 30 FHEDRO C[C@@H](OCCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000303775289 946686804 /nfs/dbraw/zinc/68/68/04/946686804.db2.gz GQUHBGLUNYWAGJ-MRXNPFEDSA-N 1 0 369.465 3.742 20 30 FHEDRO N#CCOc1ccc(Br)cc1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167992163 946708382 /nfs/dbraw/zinc/70/83/82/946708382.db2.gz MLKPTKHVMRQYIU-UHFFFAOYSA-N 1 0 363.190 3.522 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)Oc2cccc(Cl)c2)CC1 ZINC000112636581 946708576 /nfs/dbraw/zinc/70/85/76/946708576.db2.gz NVPROTFTFNQRFP-UHFFFAOYSA-N 1 0 350.890 3.654 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H](C)C1CCCCC1 ZINC000475207496 946721162 /nfs/dbraw/zinc/72/11/62/946721162.db2.gz PCRAVJFOIGLHBC-WWMYMODYSA-N 1 0 353.510 3.854 20 30 FHEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000025866038 946744031 /nfs/dbraw/zinc/74/40/31/946744031.db2.gz MIZIVORAOAPHAH-SIKLNZKXSA-N 1 0 350.462 3.502 20 30 FHEDRO COc1cccc(N2CC[C@@H](CNC(=[NH2+])N[C@@H](C)CCCC(C)C)C2)c1 ZINC000303969405 946749986 /nfs/dbraw/zinc/74/99/86/946749986.db2.gz BRZZFVNKTCWLAH-ROUUACIJSA-N 1 0 360.546 3.641 20 30 FHEDRO CCOCCC1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCC1 ZINC000305052363 946807753 /nfs/dbraw/zinc/80/77/53/946807753.db2.gz CZZQTSRQAVGNMU-UHFFFAOYSA-N 1 0 361.486 3.562 20 30 FHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)c(OC)c1 ZINC000282013517 946815461 /nfs/dbraw/zinc/81/54/61/946815461.db2.gz OPPQYLROQDAPAJ-IBGZPJMESA-N 1 0 358.482 3.941 20 30 FHEDRO N#CC1(CCC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CCOCC1 ZINC000282014071 946832302 /nfs/dbraw/zinc/83/23/02/946832302.db2.gz OQDXJAODBINPIO-VQTJNVASSA-N 1 0 360.473 3.814 20 30 FHEDRO C[NH+]=C(NCc1coc(-c2cccs2)n1)N1CC[C@H](c2ccccc2)C1 ZINC000262469312 946851918 /nfs/dbraw/zinc/85/19/18/946851918.db2.gz OMDSBEFRYLWIKC-INIZCTEOSA-N 1 0 366.490 3.968 20 30 FHEDRO CCc1cnc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000328607622 946955360 /nfs/dbraw/zinc/95/53/60/946955360.db2.gz LHOBALHZPXNRES-OAHLLOKOSA-N 1 0 350.532 3.506 20 30 FHEDRO Cc1ccc(CNC(=O)CN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000328648576 946965188 /nfs/dbraw/zinc/96/51/88/946965188.db2.gz IFWPIEOVPGNWGN-LJQANCHMSA-N 1 0 366.509 3.864 20 30 FHEDRO CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c12 ZINC000328652423 946966329 /nfs/dbraw/zinc/96/63/29/946966329.db2.gz KLRKNSJXXQSYBF-TZMCWYRMSA-N 1 0 356.470 3.668 20 30 FHEDRO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H](Cc3ccc(F)cc3)C1)CCC2 ZINC000328658693 946968343 /nfs/dbraw/zinc/96/83/43/946968343.db2.gz RMWNNZYRHVZMQH-ROUUACIJSA-N 1 0 370.472 3.687 20 30 FHEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccnc(Sc3ccccn3)c2)CC[N@@H+]1C ZINC000328600484 946977861 /nfs/dbraw/zinc/97/78/61/946977861.db2.gz DATHHBZOILBBBG-GOEBONIOSA-N 1 0 371.510 3.588 20 30 FHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1OC ZINC000475378080 946978878 /nfs/dbraw/zinc/97/88/78/946978878.db2.gz DAHPGHJAWFAZHF-QHCPKHFHSA-N 1 0 367.489 3.830 20 30 FHEDRO C[C@]1(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CCC(=O)NC1 ZINC000328686985 946987949 /nfs/dbraw/zinc/98/79/49/946987949.db2.gz YSBDSSFLSOETKL-FQEVSTJZSA-N 1 0 372.469 3.778 20 30 FHEDRO COc1ccc(-c2ccc(C)c(NC(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)c2)cn1 ZINC000328713483 947000914 /nfs/dbraw/zinc/00/09/14/947000914.db2.gz RZXCOWXMLITMCV-CVEARBPZSA-N 1 0 368.481 3.636 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)CC1 ZINC000066921469 947002208 /nfs/dbraw/zinc/00/22/08/947002208.db2.gz FTOIBCXSQHRJGW-UHFFFAOYSA-N 1 0 364.445 3.771 20 30 FHEDRO Cc1cc(C)c(CCNC(=O)C[NH2+][C@@H]2CCC(=O)NC23CCC3)c(C)c1 ZINC000328716657 947002967 /nfs/dbraw/zinc/00/29/67/947002967.db2.gz UDRLUZOZRQXQHZ-GOSISDBHSA-N 1 0 357.498 3.742 20 30 FHEDRO Cc1cccc(NC(=O)CN2CC[NH+](CCCCC(C)(C)C#N)CC2)c1C ZINC000444591474 947017222 /nfs/dbraw/zinc/01/72/22/947017222.db2.gz BLOOTBBNJSIEOQ-UHFFFAOYSA-N 1 0 370.541 3.580 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609530109 947028748 /nfs/dbraw/zinc/02/87/48/947028748.db2.gz RMQKJHBNZKSMJT-QGZVFWFLSA-N 1 0 366.509 3.795 20 30 FHEDRO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)CCCCC1 ZINC000328824565 947040601 /nfs/dbraw/zinc/04/06/01/947040601.db2.gz RPECOMDCGBEXJG-KRWDZBQOSA-N 1 0 365.481 3.684 20 30 FHEDRO O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C12CCC[NH+]1CCC2 ZINC000328837072 947057977 /nfs/dbraw/zinc/05/79/77/947057977.db2.gz MVKAKISTXFKQHB-UHFFFAOYSA-N 1 0 371.462 3.798 20 30 FHEDRO O=C(CN1CCCCCCC1=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000328861346 947069853 /nfs/dbraw/zinc/06/98/53/947069853.db2.gz ARNVKJIBVUDFOL-LJQANCHMSA-N 1 0 357.498 3.573 20 30 FHEDRO CCn1c2ccccc2nc1SCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328954593 947099882 /nfs/dbraw/zinc/09/98/82/947099882.db2.gz YKVRJNXUUXUONA-CVEARBPZSA-N 1 0 358.511 3.732 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000609845401 947102227 /nfs/dbraw/zinc/10/22/27/947102227.db2.gz OCSMVNQPYBUWSH-CABCVRRESA-N 1 0 360.527 3.933 20 30 FHEDRO C[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)CCC1=O ZINC000328905507 947102285 /nfs/dbraw/zinc/10/22/85/947102285.db2.gz KCIPAOMOMVOWNX-ZIAGYGMSSA-N 1 0 363.889 3.685 20 30 FHEDRO COc1cc(C[NH2+][C@H](CO)C(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000444680093 947104592 /nfs/dbraw/zinc/10/45/92/947104592.db2.gz DLXGEOATDLPKST-OAQYLSRUSA-N 1 0 368.477 3.642 20 30 FHEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1Oc1ccccc1C#N ZINC000181829815 947131782 /nfs/dbraw/zinc/13/17/82/947131782.db2.gz FOMMIBPTPPCHRN-FUHWJXTLSA-N 1 0 361.445 3.659 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C/C=C\c3ccc(F)c(F)c3)C2=O)cc1 ZINC000511955574 947139824 /nfs/dbraw/zinc/13/98/24/947139824.db2.gz PGAABJSMRHTLBA-WWNMRYTNSA-N 1 0 367.399 3.635 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C/C=C/c3ccc(F)c(F)c3)C2=O)cc1 ZINC000511955570 947139901 /nfs/dbraw/zinc/13/99/01/947139901.db2.gz PGAABJSMRHTLBA-OIBGTREISA-N 1 0 367.399 3.635 20 30 FHEDRO CCCCCCCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825271484 947140849 /nfs/dbraw/zinc/14/08/49/947140849.db2.gz KGYAOZKQBBPHMQ-UHFFFAOYSA-N 1 0 370.545 3.781 20 30 FHEDRO CCOc1ccc(F)c(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1F ZINC000330492166 947183023 /nfs/dbraw/zinc/18/30/23/947183023.db2.gz JGTDXBSOMZNINT-UHFFFAOYSA-N 1 0 355.429 3.954 20 30 FHEDRO C[C@@H](CNC(=O)Nc1nc(C(F)(F)F)cs1)[NH+]1CCC(C)CC1 ZINC000330447356 947186123 /nfs/dbraw/zinc/18/61/23/947186123.db2.gz FWGCUEIAYUVKKG-JTQLQIEISA-N 1 0 350.410 3.608 20 30 FHEDRO CC1CC[NH+](CCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 ZINC000330513062 947187604 /nfs/dbraw/zinc/18/76/04/947187604.db2.gz CRIUGYPKDLYLFM-UHFFFAOYSA-N 1 0 360.424 3.693 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CCCC1 ZINC000330524890 947209564 /nfs/dbraw/zinc/20/95/64/947209564.db2.gz LBWBVCCHMQNRFL-UHFFFAOYSA-N 1 0 360.424 3.836 20 30 FHEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CCCC1(C)C ZINC000444776816 947212248 /nfs/dbraw/zinc/21/22/48/947212248.db2.gz CPKPSTUODLBXGE-LJQANCHMSA-N 1 0 369.509 3.819 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2ncnc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000301187362 947223172 /nfs/dbraw/zinc/22/31/72/947223172.db2.gz SYKIVLPFMYJPHE-UHFFFAOYSA-N 1 0 374.510 3.629 20 30 FHEDRO C=CC[C@H]1[N@H+](CCCS(=O)(=O)c2ccccc2OC)CCCC1(C)C ZINC000444784703 947225776 /nfs/dbraw/zinc/22/57/76/947225776.db2.gz WIFNMGBWAJJWPU-LJQANCHMSA-N 1 0 365.539 3.926 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000662087542 947229021 /nfs/dbraw/zinc/22/90/21/947229021.db2.gz BWUQDDJVYGOTES-ZIFCJYIRSA-N 1 0 353.491 3.532 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000662087499 947229052 /nfs/dbraw/zinc/22/90/52/947229052.db2.gz AJILLCKHZVEARG-BETUJISGSA-N 1 0 364.371 3.703 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000662087812 947229163 /nfs/dbraw/zinc/22/91/63/947229163.db2.gz LRIGAFYMKZKRAH-OKILXGFUSA-N 1 0 364.873 3.869 20 30 FHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330685885 947233753 /nfs/dbraw/zinc/23/37/53/947233753.db2.gz AGPBYWMRUPSUAK-GFCCVEGCSA-N 1 0 360.424 3.836 20 30 FHEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](O)COc1ccccc1 ZINC000444815165 947249267 /nfs/dbraw/zinc/24/92/67/947249267.db2.gz UZBGQVYLXPBOOB-GOSISDBHSA-N 1 0 358.869 3.862 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2cc(F)c(OC(C)C)c(F)c2)CC1 ZINC000330817402 947279698 /nfs/dbraw/zinc/27/96/98/947279698.db2.gz LVKDZLJANUNHQW-UHFFFAOYSA-N 1 0 355.429 3.952 20 30 FHEDRO C[C@H](NC(=O)Nc1cccc(C(F)F)c1Cl)[C@H](C)N1CCOCC1 ZINC000330859310 947285994 /nfs/dbraw/zinc/28/59/94/947285994.db2.gz RFBKXCSGPCUSIQ-QWRGUYRKSA-N 1 0 361.820 3.713 20 30 FHEDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000330911261 947308634 /nfs/dbraw/zinc/30/86/34/947308634.db2.gz HGXWXYDDKPKRNO-ZFWWWQNUSA-N 1 0 364.287 3.758 20 30 FHEDRO COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000330967293 947318019 /nfs/dbraw/zinc/31/80/19/947318019.db2.gz DPAFCNASAPNFPS-ZBFHGGJFSA-N 1 0 361.486 3.557 20 30 FHEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC ZINC000330978570 947326043 /nfs/dbraw/zinc/32/60/43/947326043.db2.gz IRGSKIMMATUVLG-ZDUSSCGKSA-N 1 0 350.532 3.593 20 30 FHEDRO C=CCNC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc1 ZINC000301405837 947328664 /nfs/dbraw/zinc/32/86/64/947328664.db2.gz GPGXXLHAFXSITI-KXBFYZLASA-N 1 0 370.522 3.554 20 30 FHEDRO Cc1nn(CC(F)(F)F)cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000331047989 947335060 /nfs/dbraw/zinc/33/50/60/947335060.db2.gz JJAKZUSPWLWFLI-LBPRGKRZSA-N 1 0 360.424 3.569 20 30 FHEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000331119481 947351583 /nfs/dbraw/zinc/35/15/83/947351583.db2.gz LRBZNEUXOQDQSB-WBVHZDCISA-N 1 0 360.502 3.694 20 30 FHEDRO Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000331130930 947363402 /nfs/dbraw/zinc/36/34/02/947363402.db2.gz BEZKAHMHVMQLQC-GOSISDBHSA-N 1 0 374.529 3.533 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(NC(=O)C(C)C)c2)C[C@@H]1C ZINC000331128770 947363845 /nfs/dbraw/zinc/36/38/45/947363845.db2.gz OJGIEDGMXDLYPD-MAUKXSAKSA-N 1 0 360.502 3.631 20 30 FHEDRO CCn1cc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C(F)(F)F)n1 ZINC000331222598 947373489 /nfs/dbraw/zinc/37/34/89/947373489.db2.gz KUMOBNDLIUJSPK-JHJVBQTASA-N 1 0 360.424 3.593 20 30 FHEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000331271981 947373856 /nfs/dbraw/zinc/37/38/56/947373856.db2.gz NVKCKYJRTBGAJJ-UHFFFAOYSA-N 1 0 370.375 3.656 20 30 FHEDRO COc1cc(C)c(Br)cc1NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000331268926 947373994 /nfs/dbraw/zinc/37/39/94/947373994.db2.gz SPOCNIFORINALD-NEPJUHHUSA-N 1 0 370.291 3.575 20 30 FHEDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc(Cl)c1O ZINC000331278392 947376574 /nfs/dbraw/zinc/37/65/74/947376574.db2.gz PGJPPEYZGPOCKU-ZDUSSCGKSA-N 1 0 354.878 3.727 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C ZINC000331284158 947377705 /nfs/dbraw/zinc/37/77/05/947377705.db2.gz KLIRDWFQXYUFOR-OCCSQVGLSA-N 1 0 366.412 3.510 20 30 FHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000331296459 947391507 /nfs/dbraw/zinc/39/15/07/947391507.db2.gz NEMQSGORTJQLDT-UHFFFAOYSA-N 1 0 350.410 3.608 20 30 FHEDRO CC[C@H](C)[N@H+](C)CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000236882634 947420475 /nfs/dbraw/zinc/42/04/75/947420475.db2.gz QUPSAFAHAZQONG-SFHVURJKSA-N 1 0 351.494 3.957 20 30 FHEDRO C=CC[N@@H+](CCCOc1ccccc1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573341033 947523228 /nfs/dbraw/zinc/52/32/28/947523228.db2.gz FWQFHQRJWGBMGN-UHFFFAOYSA-N 1 0 363.465 3.632 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Cl)c(F)c1 ZINC001573340962 947523513 /nfs/dbraw/zinc/52/35/13/947523513.db2.gz FPEKYLHOOWKDGD-UHFFFAOYSA-N 1 0 357.820 3.847 20 30 FHEDRO CC(C)[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000440664188 947562272 /nfs/dbraw/zinc/56/22/72/947562272.db2.gz XJZJYOVRSRGWRM-MRXNPFEDSA-N 1 0 373.298 3.645 20 30 FHEDRO C=C[C@](C)(CC)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000188486762 947638174 /nfs/dbraw/zinc/63/81/74/947638174.db2.gz QVCBUOHIZBHDSM-JOCHJYFZSA-N 1 0 358.526 3.776 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189158759 947650498 /nfs/dbraw/zinc/65/04/98/947650498.db2.gz KEDCCBSFHVAOAV-GOSISDBHSA-N 1 0 353.384 3.828 20 30 FHEDRO COc1ccc(Cl)cc1CN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000027735114 947657678 /nfs/dbraw/zinc/65/76/78/947657678.db2.gz BMGCUAZCQOREIG-CQSZACIVSA-N 1 0 363.889 3.512 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000523927521 947735560 /nfs/dbraw/zinc/73/55/60/947735560.db2.gz DFTIQPGLNRMGSS-SFHVURJKSA-N 1 0 360.502 3.833 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662312669 947738904 /nfs/dbraw/zinc/73/89/04/947738904.db2.gz YPCOHKDHEZOUGH-DZFGPLHGSA-N 1 0 374.550 3.544 20 30 FHEDRO CN(C)c1cccc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)n1 ZINC000162898745 947740713 /nfs/dbraw/zinc/74/07/13/947740713.db2.gz DLEGJQPROIGGPJ-UHFFFAOYSA-N 1 0 361.449 3.867 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCC[NH2+]1 ZINC000662461636 947832632 /nfs/dbraw/zinc/83/26/32/947832632.db2.gz NMPRXNBJKNZICN-IBGZPJMESA-N 1 0 355.463 3.637 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189813056 947842647 /nfs/dbraw/zinc/84/26/47/947842647.db2.gz JEGOJINOMTXFDZ-QGZVFWFLSA-N 1 0 367.493 3.905 20 30 FHEDRO C=CC[C@@]1(C(=O)NCc2cc(-c3ccc(OC)cc3)cs2)CCC[NH2+]1 ZINC000662649150 947955735 /nfs/dbraw/zinc/95/57/35/947955735.db2.gz MGOPNWGIFTUIKN-FQEVSTJZSA-N 1 0 356.491 3.738 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(C(C)C)CC1 ZINC000441487003 947969103 /nfs/dbraw/zinc/96/91/03/947969103.db2.gz NZTYLHONCUVTKA-KRWDZBQOSA-N 1 0 357.498 3.698 20 30 FHEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000132140931 948020821 /nfs/dbraw/zinc/02/08/21/948020821.db2.gz MXAATJRHOSLOHX-KRWDZBQOSA-N 1 0 367.411 3.574 20 30 FHEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2c(CO)cnc(C)c2O)cc1 ZINC001167821971 948084583 /nfs/dbraw/zinc/08/45/83/948084583.db2.gz MFPGOSVRNMGAKL-HXUWFJFHSA-N 1 0 353.466 3.523 20 30 FHEDRO C=CCn1c(SC[C@H]2CCCC[N@H+]2C(C)C)nnc1-c1ccncc1 ZINC000549622336 948204985 /nfs/dbraw/zinc/20/49/85/948204985.db2.gz YLXPNDZJEPSUQM-QGZVFWFLSA-N 1 0 357.527 3.881 20 30 FHEDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000441532126 948228425 /nfs/dbraw/zinc/22/84/25/948228425.db2.gz JYLZARJOELEKHJ-UHFFFAOYSA-N 1 0 363.339 3.771 20 30 FHEDRO C=CCN(C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@H](C)COC ZINC000663582008 948249786 /nfs/dbraw/zinc/24/97/86/948249786.db2.gz XRJVORBTBHMMRR-LJQANCHMSA-N 1 0 373.541 3.651 20 30 FHEDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106771160 948276590 /nfs/dbraw/zinc/27/65/90/948276590.db2.gz OVYPAGFCOQNJLD-UHFFFAOYSA-N 1 0 367.424 3.657 20 30 FHEDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000760040709 948296323 /nfs/dbraw/zinc/29/63/23/948296323.db2.gz KZISCDTYZIOHDS-IWMITWMQSA-N 1 0 354.425 3.545 20 30 FHEDRO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000473994935 948297117 /nfs/dbraw/zinc/29/71/17/948297117.db2.gz ZAOFNVMWKUVMEK-AWEZNQCLSA-N 1 0 366.273 3.822 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cscc2C#N)C1 ZINC000432396578 948326279 /nfs/dbraw/zinc/32/62/79/948326279.db2.gz DMYWXQDHTBSOFG-HNNXBMFYSA-N 1 0 353.491 3.782 20 30 FHEDRO CC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](C)Cc1ccsc1 ZINC000614603444 948349176 /nfs/dbraw/zinc/34/91/76/948349176.db2.gz UZOGIPGEFDMCAM-VQIMIIECSA-N 1 0 358.507 3.507 20 30 FHEDRO CC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H](C)Cc1ccsc1 ZINC000614603442 948349590 /nfs/dbraw/zinc/34/95/90/948349590.db2.gz UZOGIPGEFDMCAM-LPHOPBHVSA-N 1 0 358.507 3.507 20 30 FHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1cc(C#N)ccc1F ZINC000184754838 948376594 /nfs/dbraw/zinc/37/65/94/948376594.db2.gz JFRMCKQROVMIIV-IAGOWNOFSA-N 1 0 351.469 3.944 20 30 FHEDRO C#CCOc1ccc(C[NH2+]C[C@H](c2ccccc2OC)N2CCCC2)cc1 ZINC000237210555 948459501 /nfs/dbraw/zinc/45/95/01/948459501.db2.gz DXPYIDQWUXHPFT-JOCHJYFZSA-N 1 0 364.489 3.634 20 30 FHEDRO C=CCc1cc(CN2CCO[C@H](c3cccc(OC)c3)C2)cc(OC)c1O ZINC000093079772 948479334 /nfs/dbraw/zinc/47/93/34/948479334.db2.gz QDQRFUAHLMYXCA-NRFANRHFSA-N 1 0 369.461 3.711 20 30 FHEDRO C=CCn1c([C@@H](C)CC)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000520663567 948528509 /nfs/dbraw/zinc/52/85/09/948528509.db2.gz OMNKDHVNKOAPSN-ZWKOTPCHSA-N 1 0 353.514 3.688 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000520132630 948534854 /nfs/dbraw/zinc/53/48/54/948534854.db2.gz KSGLRVRBYHOGGP-GUDVDZBRSA-N 1 0 368.525 3.622 20 30 FHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000520666982 948535196 /nfs/dbraw/zinc/53/51/96/948535196.db2.gz XPDQBLOCERVNQC-LBPRGKRZSA-N 1 0 367.291 3.563 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000520683332 948578307 /nfs/dbraw/zinc/57/83/07/948578307.db2.gz SHIDPUGNMBKTPB-DFQSSKMNSA-N 1 0 350.547 3.621 20 30 FHEDRO C=CCc1cc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000107598820 948642099 /nfs/dbraw/zinc/64/20/99/948642099.db2.gz JHEKDOPYHXYABO-UHFFFAOYSA-N 1 0 374.525 3.674 20 30 FHEDRO C=C(C)Cn1c(CCCC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549634488 948678316 /nfs/dbraw/zinc/67/83/16/948678316.db2.gz ONYRUSVFEXAJHU-HKUYNNGSSA-N 1 0 357.546 3.650 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000429806448 948710606 /nfs/dbraw/zinc/71/06/06/948710606.db2.gz LUDOKMQVYJZNFC-CQSZACIVSA-N 1 0 355.507 3.932 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(SCc3cccnc3)cc2)CC1 ZINC000050026531 210061716 /nfs/dbraw/zinc/06/17/16/210061716.db2.gz VRLNTNVWFQVBOF-UHFFFAOYSA-N 1 0 365.502 3.658 20 30 FHEDRO C[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541830600 567928043 /nfs/dbraw/zinc/92/80/43/567928043.db2.gz SAWJHOYCDGICLL-QGZVFWFLSA-N 1 0 364.493 3.879 20 30 FHEDRO C[C@@H](NC1CC[NH+](CCc2ccncc2)CC1)c1ccc(C#N)cc1Cl ZINC000366010957 567931359 /nfs/dbraw/zinc/93/13/59/567931359.db2.gz PDYRHENJWGCBAV-MRXNPFEDSA-N 1 0 368.912 3.964 20 30 FHEDRO C[NH+](C)C[C@@H](NC(=O)NCCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602245973 567959247 /nfs/dbraw/zinc/95/92/47/567959247.db2.gz CKRUCFWSJBBDOG-OAHLLOKOSA-N 1 0 357.285 3.589 20 30 FHEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000602455680 567982192 /nfs/dbraw/zinc/98/21/92/567982192.db2.gz XOCJVYKHQWOJOD-KRWDZBQOSA-N 1 0 371.506 3.859 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000602520001 567987113 /nfs/dbraw/zinc/98/71/13/567987113.db2.gz FJGQABOURVWKOG-CQSZACIVSA-N 1 0 356.388 3.773 20 30 FHEDRO N#CCCCC[C@H]([NH3+])C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000602525041 567987627 /nfs/dbraw/zinc/98/76/27/567987627.db2.gz QBGUFQMXCULXJH-KRWDZBQOSA-N 1 0 351.853 3.629 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OC2CCCCC2)nc1 ZINC000602528645 567988078 /nfs/dbraw/zinc/98/80/78/567988078.db2.gz OQTSEOGKGVBWCY-KRWDZBQOSA-N 1 0 357.498 3.982 20 30 FHEDRO COc1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c(C(F)(F)F)c1 ZINC000602530592 567988325 /nfs/dbraw/zinc/98/83/25/567988325.db2.gz RZZDPSWVMHGXEG-ZDUSSCGKSA-N 1 0 356.388 3.903 20 30 FHEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)c1cccc(OC)c1 ZINC000602503239 567988505 /nfs/dbraw/zinc/98/85/05/567988505.db2.gz PCVSYDZKHPSAGS-RXVVDRJESA-N 1 0 373.541 3.767 20 30 FHEDRO Cc1ccc([C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N2CCCC2)cc1 ZINC000602532106 567988805 /nfs/dbraw/zinc/98/88/05/567988805.db2.gz KCJSWJSYJMGWRW-CTNGQTDRSA-N 1 0 355.526 3.821 20 30 FHEDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602532453 567991873 /nfs/dbraw/zinc/99/18/73/567991873.db2.gz KTIVGQYECPJVNP-AWEZNQCLSA-N 1 0 363.889 3.666 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000602580400 567993607 /nfs/dbraw/zinc/99/36/07/567993607.db2.gz GMLLZRKGZRPURK-OAHLLOKOSA-N 1 0 370.415 3.954 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000602591285 567994968 /nfs/dbraw/zinc/99/49/68/567994968.db2.gz YKQCOLPCQNUOKR-FOIQADDNSA-N 1 0 374.481 3.848 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000602565536 567995550 /nfs/dbraw/zinc/99/55/50/567995550.db2.gz RUSACCIUBMCLOM-SFHLNBCPSA-N 1 0 355.526 3.728 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000602568754 567995846 /nfs/dbraw/zinc/99/58/46/567995846.db2.gz LWJWXGFNUREXJP-DGCLKSJQSA-N 1 0 360.811 3.862 20 30 FHEDRO CCN1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000602602531 567996890 /nfs/dbraw/zinc/99/68/90/567996890.db2.gz UOEMOICTKPSRQV-WONKFOFSSA-N 1 0 351.416 3.911 20 30 FHEDRO COc1cc(Br)ccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602620939 567998572 /nfs/dbraw/zinc/99/85/72/567998572.db2.gz AWGRLFYQSUBXAS-ZDUSSCGKSA-N 1 0 367.287 3.646 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000602644287 568003566 /nfs/dbraw/zinc/00/35/66/568003566.db2.gz LXJBJNBEQFULRU-HNNXBMFYSA-N 1 0 370.415 3.859 20 30 FHEDRO COC[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000602674145 568008659 /nfs/dbraw/zinc/00/86/59/568008659.db2.gz FMJULPCUDRHHAV-DOTOQJQBSA-N 1 0 350.890 3.759 20 30 FHEDRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]C1CCC(C#N)CC1 ZINC000602680672 568009918 /nfs/dbraw/zinc/00/99/18/568009918.db2.gz FULTXMAIUGLBQQ-CKDBGZEDSA-N 1 0 365.315 3.581 20 30 FHEDRO C[C@H](CCC#N)C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000602661560 568012523 /nfs/dbraw/zinc/01/25/23/568012523.db2.gz FHAVMPJGRKYUET-CQSZACIVSA-N 1 0 365.275 3.681 20 30 FHEDRO CC(C)Oc1ccc([C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N(C)C)cc1 ZINC000602662938 568012774 /nfs/dbraw/zinc/01/27/74/568012774.db2.gz CEYWMDDLOMOAIA-WIYYLYMNSA-N 1 0 373.541 3.765 20 30 FHEDRO C[C@@H](CCC#N)C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000602666489 568013777 /nfs/dbraw/zinc/01/37/77/568013777.db2.gz KCGAJGCNFOFLFV-HNNXBMFYSA-N 1 0 370.415 3.894 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(F)c(Br)cc1F ZINC000602724588 568023726 /nfs/dbraw/zinc/02/37/26/568023726.db2.gz HUVFSZRXIWBQQU-NSHDSACASA-N 1 0 373.241 3.916 20 30 FHEDRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000568333324 568025378 /nfs/dbraw/zinc/02/53/78/568025378.db2.gz UIWFABHLAKRNHT-HOCLYGCPSA-N 1 0 367.415 3.750 20 30 FHEDRO N#CCC1(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CC1 ZINC000602801662 568036766 /nfs/dbraw/zinc/03/67/66/568036766.db2.gz LSEDOHCPBWQZFN-KRWDZBQOSA-N 1 0 363.465 3.535 20 30 FHEDRO CN1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000568449179 568039315 /nfs/dbraw/zinc/03/93/15/568039315.db2.gz ULTVVGFAEZSQTA-PMACEKPBSA-N 1 0 355.869 3.625 20 30 FHEDRO C[NH+](C)Cc1ccnc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000603149191 568064697 /nfs/dbraw/zinc/06/46/97/568064697.db2.gz TXJCZRRCIWQFJQ-GOSISDBHSA-N 1 0 351.454 3.700 20 30 FHEDRO COc1ccc([C@H]2CCCN2CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000120373821 568071095 /nfs/dbraw/zinc/07/10/95/568071095.db2.gz ZMXUOYMBFLIYJQ-GOSISDBHSA-N 1 0 353.422 3.552 20 30 FHEDRO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481654924 568081931 /nfs/dbraw/zinc/08/19/31/568081931.db2.gz CDOBZXIVOYGXAX-QFIPXVFZSA-N 1 0 361.489 3.860 20 30 FHEDRO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481655709 568082178 /nfs/dbraw/zinc/08/21/78/568082178.db2.gz WWKYLTZZESOKPG-OAQYLSRUSA-N 1 0 353.510 3.952 20 30 FHEDRO C=CCc1cc(C[NH2+][C@H]2CCOc3c(OC)cccc32)cc(OC)c1O ZINC000603518875 568112660 /nfs/dbraw/zinc/11/26/60/568112660.db2.gz OUCQRJHORKMGSB-KRWDZBQOSA-N 1 0 355.434 3.751 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC(F)(F)[C@H](CO)C3)c2)c1 ZINC000291351793 568121162 /nfs/dbraw/zinc/12/11/62/568121162.db2.gz XHLBDSGERRKWAB-IBGZPJMESA-N 1 0 372.415 3.587 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000181889838 568121183 /nfs/dbraw/zinc/12/11/83/568121183.db2.gz SKZFHWPZBWBKSU-AEFFLSMTSA-N 1 0 365.477 3.753 20 30 FHEDRO Cc1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc2ccccc12 ZINC000024825493 568136408 /nfs/dbraw/zinc/13/64/08/568136408.db2.gz RIDZVBQRHOKQKW-UHFFFAOYSA-N 1 0 371.488 3.518 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 ZINC000481848364 568159728 /nfs/dbraw/zinc/15/97/28/568159728.db2.gz OESOKARFUACIRM-NQIIRXRSSA-N 1 0 364.489 3.788 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000481913865 568182078 /nfs/dbraw/zinc/18/20/78/568182078.db2.gz IBVSZUYFSZMQAW-NRFANRHFSA-N 1 0 363.461 3.813 20 30 FHEDRO CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481928396 568189457 /nfs/dbraw/zinc/18/94/57/568189457.db2.gz RPVXNWKRVWAZLB-NRFANRHFSA-N 1 0 368.502 3.660 20 30 FHEDRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000481997390 568219472 /nfs/dbraw/zinc/21/94/72/568219472.db2.gz HQJWVKXDYRGLKL-KRWDZBQOSA-N 1 0 360.504 3.581 20 30 FHEDRO N#Cc1ccccc1N1CCC[N@H+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000482081161 568254977 /nfs/dbraw/zinc/25/49/77/568254977.db2.gz KRCBXRDKIUZPOJ-UHFFFAOYSA-N 1 0 361.489 3.638 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000303294141 568265088 /nfs/dbraw/zinc/26/50/88/568265088.db2.gz HMPWJFUDHATMEL-UHFFFAOYSA-N 1 0 370.324 3.876 20 30 FHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000569000699 568266109 /nfs/dbraw/zinc/26/61/09/568266109.db2.gz MZLQGOUWMJYURA-ABAIWWIYSA-N 1 0 352.251 3.523 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 ZINC000303372179 568269186 /nfs/dbraw/zinc/26/91/86/568269186.db2.gz VOXZNYMWQGUIDO-UHFFFAOYSA-N 1 0 357.542 3.866 20 30 FHEDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1(CC)CC ZINC000482145117 568285126 /nfs/dbraw/zinc/28/51/26/568285126.db2.gz CPOLVUDXJOPECU-IRXDYDNUSA-N 1 0 363.889 3.724 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482139774 568287837 /nfs/dbraw/zinc/28/78/37/568287837.db2.gz GFJNQDRWZLJJDD-OALUTQOASA-N 1 0 367.497 3.598 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482139773 568287866 /nfs/dbraw/zinc/28/78/66/568287866.db2.gz GFJNQDRWZLJJDD-MOPGFXCFSA-N 1 0 367.497 3.598 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000482141167 568288208 /nfs/dbraw/zinc/28/82/08/568288208.db2.gz JNTKIBPXCXXFEE-UHFFFAOYSA-N 1 0 362.473 3.969 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000482126151 568296257 /nfs/dbraw/zinc/29/62/57/568296257.db2.gz LSFNVKXXQXCIGC-IEZWGBDMSA-N 1 0 374.529 3.585 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569173768 568299519 /nfs/dbraw/zinc/29/95/19/568299519.db2.gz DIFJUDWHBBTOJN-ICSRJNTNSA-N 1 0 373.859 3.894 20 30 FHEDRO CCC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCc2ccccc21 ZINC000604503420 568302150 /nfs/dbraw/zinc/30/21/50/568302150.db2.gz OLXOIOLEGXNDAB-NFBKMPQASA-N 1 0 364.489 3.892 20 30 FHEDRO N#Cc1cc(F)c(N2CC[NH+](C3CCCC3)CC2)cc1Br ZINC000313837793 568326967 /nfs/dbraw/zinc/32/69/67/568326967.db2.gz JIZMBBBOXLWZBM-UHFFFAOYSA-N 1 0 352.251 3.524 20 30 FHEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]2C ZINC000541990075 568313446 /nfs/dbraw/zinc/31/34/46/568313446.db2.gz MIOSHFZTGXUESL-JKSUJKDBSA-N 1 0 363.461 3.903 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C(C)(C)O)cc1OCC ZINC000604765547 568361837 /nfs/dbraw/zinc/36/18/37/568361837.db2.gz SXZPJDUULZFFFG-LBPRGKRZSA-N 1 0 372.303 3.662 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)ccc1OC ZINC000604768523 568362608 /nfs/dbraw/zinc/36/26/08/568362608.db2.gz RVCDSNZTJPOWHA-XLIONFOSSA-N 1 0 355.478 3.904 20 30 FHEDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000569527989 568405496 /nfs/dbraw/zinc/40/54/96/568405496.db2.gz FOUYMNSJJGNTBR-SFHVURJKSA-N 1 0 357.841 3.518 20 30 FHEDRO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000569723641 568413948 /nfs/dbraw/zinc/41/39/48/568413948.db2.gz MBGDYODIGATWFQ-HNAYVOBHSA-N 1 0 361.449 3.583 20 30 FHEDRO Cc1ccccc1Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000569941868 568437477 /nfs/dbraw/zinc/43/74/77/568437477.db2.gz NZNKOVQBFHWCRW-UHFFFAOYSA-N 1 0 369.468 3.635 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(NCc3ccn(C4CCCC4)n3)CC2)cc1 ZINC000182040420 568578797 /nfs/dbraw/zinc/57/87/97/568578797.db2.gz BFEVCUCRPJKYMC-UHFFFAOYSA-N 1 0 363.509 3.624 20 30 FHEDRO N#CC1(NC(=O)Cc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000365390509 568595783 /nfs/dbraw/zinc/59/57/83/568595783.db2.gz CJUHHAKEFJPSFL-UHFFFAOYSA-N 1 0 367.880 3.557 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000050108093 568726978 /nfs/dbraw/zinc/72/69/78/568726978.db2.gz IETPPUZACILTEV-LJQANCHMSA-N 1 0 364.449 3.525 20 30 FHEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)c1 ZINC000277848760 571327711 /nfs/dbraw/zinc/32/77/11/571327711.db2.gz SPMXWMRYJMMOFK-LBPRGKRZSA-N 1 0 352.335 3.819 20 30 FHEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000824152325 608309853 /nfs/dbraw/zinc/30/98/53/608309853.db2.gz AFWUWITYZQFCIF-UHFFFAOYSA-N 1 0 360.465 3.953 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@@H]43)cnc2Cl)c1 ZINC001164447597 719003659 /nfs/dbraw/zinc/00/36/59/719003659.db2.gz CNFIPNHVHVIEJG-SJORKVTESA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@H]43)cnc2Cl)cc1 ZINC001164448362 719003740 /nfs/dbraw/zinc/00/37/40/719003740.db2.gz HQHOJAHJICAFAS-DLBZAZTESA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1cc(Cl)cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630405 719091435 /nfs/dbraw/zinc/09/14/35/719091435.db2.gz WBUCQMHQLVHJKC-APWZRJJASA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC001164627890 719097846 /nfs/dbraw/zinc/09/78/46/719097846.db2.gz LALSEYLOCGKNGW-REWPJTCUSA-N 1 0 372.516 3.933 20 30 FHEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc2cc(F)c(F)cc2c(Cl)c1C#N ZINC001164636339 719259062 /nfs/dbraw/zinc/25/90/62/719259062.db2.gz SDWIHSOHEQSVAC-NXEZZACHSA-N 1 0 350.800 3.567 20 30 FHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726887 720473637 /nfs/dbraw/zinc/47/36/37/720473637.db2.gz MWAXYCRLFGDVJP-HZPDHXFCSA-N 1 0 374.275 3.508 20 30 FHEDRO CC(C)c1ccc(C#N)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164855869 720930894 /nfs/dbraw/zinc/93/08/94/720930894.db2.gz JOHYIUCJCJDSAV-MRXNPFEDSA-N 1 0 366.513 3.695 20 30 FHEDRO Cc1cc(C#N)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795482 721502296 /nfs/dbraw/zinc/50/22/96/721502296.db2.gz ITBUXBVZWRLTEG-UHFFFAOYSA-N 1 0 361.493 3.538 20 30 FHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046085 721966743 /nfs/dbraw/zinc/96/67/43/721966743.db2.gz ASTHSTAQFNXNMB-MRXNPFEDSA-N 1 0 369.900 4.000 20 30 FHEDRO COC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000467119854 936324858 /nfs/dbraw/zinc/32/48/58/936324858.db2.gz SXIDSFHUZYDQLV-UXHICEINSA-N 1 0 371.525 3.687 20 30 FHEDRO C[NH+](C)[C@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000431511961 936330665 /nfs/dbraw/zinc/33/06/65/936330665.db2.gz CTBWSCJLMLDMIQ-LJQANCHMSA-N 1 0 374.406 3.866 20 30 FHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)Cc3ccc(OCC#N)cc3)c2C1 ZINC000162167319 936355034 /nfs/dbraw/zinc/35/50/34/936355034.db2.gz XDTYOZXDMHYTLQ-UHFFFAOYSA-N 1 0 363.461 3.742 20 30 FHEDRO C#Cc1cccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000728536762 936369528 /nfs/dbraw/zinc/36/95/28/936369528.db2.gz AZJNYODLYRUIEE-IBGZPJMESA-N 1 0 350.437 3.682 20 30 FHEDRO COc1ncccc1CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000583053983 937079574 /nfs/dbraw/zinc/07/95/74/937079574.db2.gz CAOIACUOGARJGM-UHFFFAOYSA-N 1 0 373.456 3.873 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)NCC(C)(C)CC#N)CCCC1)c1ccccc1 ZINC000458380569 937108817 /nfs/dbraw/zinc/10/88/17/937108817.db2.gz UQWOOJPQGOQEAV-KRWDZBQOSA-N 1 0 356.514 3.889 20 30 FHEDRO Cc1csc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000583092532 937109238 /nfs/dbraw/zinc/10/92/38/937109238.db2.gz RNRUAYOOFVBECO-INIZCTEOSA-N 1 0 354.479 3.572 20 30 FHEDRO C=CCn1c(SCC[NH+]2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccncc1 ZINC000579733835 927239761 /nfs/dbraw/zinc/23/97/61/927239761.db2.gz QXKLUKAYEFZKII-HZPDHXFCSA-N 1 0 357.527 3.596 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2SC)CC1 ZINC000654747287 927258614 /nfs/dbraw/zinc/25/86/14/927258614.db2.gz BZFFIMOQEWTSTA-UHFFFAOYSA-N 1 0 369.328 3.551 20 30 FHEDRO Cc1cc(C#N)nc(N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000557647733 927264125 /nfs/dbraw/zinc/26/41/25/927264125.db2.gz YIJYPUVVSRFTDK-QZTJIDSGSA-N 1 0 357.408 3.571 20 30 FHEDRO C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(CC)[nH]c(=O)c1)C2 ZINC001112472569 927516047 /nfs/dbraw/zinc/51/60/47/927516047.db2.gz AZYWDFQZYWZGPG-ZJBJCVSYSA-N 1 0 371.525 3.536 20 30 FHEDRO N#Cc1ccsc1N1CC[C@H](N2CCC(c3ccsc3)CC2)C1=O ZINC000186958157 927612875 /nfs/dbraw/zinc/61/28/75/927612875.db2.gz GNONWMCSNCYURV-INIZCTEOSA-N 1 0 357.504 3.666 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000023409635 927721235 /nfs/dbraw/zinc/72/12/35/927721235.db2.gz FXUKEXHQRSRLTH-DOMZBBRYSA-N 1 0 365.260 3.956 20 30 FHEDRO N#CCc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000045007093 927767826 /nfs/dbraw/zinc/76/78/26/927767826.db2.gz XAGTWFAYOJEORU-UHFFFAOYSA-N 1 0 367.880 3.800 20 30 FHEDRO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000083093114 928159030 /nfs/dbraw/zinc/15/90/30/928159030.db2.gz WHWJMFVZDTUZNS-GFCCVEGCSA-N 1 0 351.541 3.510 20 30 FHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000610216331 928195395 /nfs/dbraw/zinc/19/53/95/928195395.db2.gz OGAXQVAXKMQESX-VQSBYGRUSA-N 1 0 353.510 3.714 20 30 FHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167070336 928199160 /nfs/dbraw/zinc/19/91/60/928199160.db2.gz QFRBHGLOHZIFJB-UHFFFAOYSA-N 1 0 374.822 3.797 20 30 FHEDRO C[C@H](C(=O)N1CCC(CCC#N)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000579837215 928344898 /nfs/dbraw/zinc/34/48/98/928344898.db2.gz WDJFVHHNLSFXPS-LJQANCHMSA-N 1 0 367.537 3.872 20 30 FHEDRO CCC(C)(C)N(CCC#N)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000471167036 928418245 /nfs/dbraw/zinc/41/82/45/928418245.db2.gz AUZIXLQXZKMEMY-UHFFFAOYSA-N 1 0 359.539 3.780 20 30 FHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(C#N)c1C ZINC000510116134 928458080 /nfs/dbraw/zinc/45/80/80/928458080.db2.gz FGCVXTNSPRBOTN-HXUWFJFHSA-N 1 0 361.489 3.851 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCc3cccs3)CC2)cc1 ZINC000023450754 928644819 /nfs/dbraw/zinc/64/48/19/928644819.db2.gz SUEZIORNDNTFEZ-UHFFFAOYSA-N 1 0 367.518 3.677 20 30 FHEDRO C=C(C)COc1cccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000535972617 937267445 /nfs/dbraw/zinc/26/74/45/937267445.db2.gz UOQXBQOGLXTEGS-SFHVURJKSA-N 1 0 357.498 3.837 20 30 FHEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179503232 928782513 /nfs/dbraw/zinc/78/25/13/928782513.db2.gz AZQILUJCBTYYMH-MRXNPFEDSA-N 1 0 374.410 3.932 20 30 FHEDRO CC[N@H+](CCCc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208863120 928811775 /nfs/dbraw/zinc/81/17/75/928811775.db2.gz XKQTVGZCJYBHIH-LJQANCHMSA-N 1 0 357.498 3.822 20 30 FHEDRO C=CC[N@H+](CCC(=O)Nc1sccc1C#N)Cc1cccc(C#N)c1 ZINC000063300810 928947899 /nfs/dbraw/zinc/94/78/99/928947899.db2.gz OETVIIJNNHMRBJ-UHFFFAOYSA-N 1 0 350.447 3.508 20 30 FHEDRO CC[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(C#N)cc1 ZINC000278173331 937300414 /nfs/dbraw/zinc/30/04/14/937300414.db2.gz CNNFVNUCMAGQRX-OAHLLOKOSA-N 1 0 359.355 3.861 20 30 FHEDRO C#CCCC[NH+]1CCC2(C[C@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC001209266854 929628859 /nfs/dbraw/zinc/62/88/59/929628859.db2.gz DWRDZFCDHYYCRJ-IBGZPJMESA-N 1 0 364.533 3.980 20 30 FHEDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000023677902 929693050 /nfs/dbraw/zinc/69/30/50/929693050.db2.gz WBTGDDZGVMDSRM-ICSRJNTNSA-N 1 0 358.869 3.887 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000610317783 929879632 /nfs/dbraw/zinc/87/96/32/929879632.db2.gz XUOJQIXNHKZHLP-SFHVURJKSA-N 1 0 368.868 3.950 20 30 FHEDRO C[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000610322089 929926049 /nfs/dbraw/zinc/92/60/49/929926049.db2.gz NGJTWOAGLIRXDE-DYESRHJHSA-N 1 0 362.477 3.535 20 30 FHEDRO N#Cc1ccccc1OC[C@H](O)C[N@H+](CCc1ccccc1)C1CCCC1 ZINC001167337413 929992521 /nfs/dbraw/zinc/99/25/21/929992521.db2.gz RCNITDRFAKBVSJ-JOCHJYFZSA-N 1 0 364.489 3.785 20 30 FHEDRO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000610356029 930106722 /nfs/dbraw/zinc/10/67/22/930106722.db2.gz HUBUSMDWUCMAKB-KRWDZBQOSA-N 1 0 362.477 3.714 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000118941936 930453278 /nfs/dbraw/zinc/45/32/78/930453278.db2.gz FIEMODZBTITRNE-GOSISDBHSA-N 1 0 368.525 3.744 20 30 FHEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000728290271 930517693 /nfs/dbraw/zinc/51/76/93/930517693.db2.gz FIOPEKYTMWMTDK-IBGZPJMESA-N 1 0 350.418 3.893 20 30 FHEDRO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc(C#N)c1 ZINC000074918629 930595655 /nfs/dbraw/zinc/59/56/55/930595655.db2.gz VRRWNFMNKDRUJF-UYAOXDASSA-N 1 0 368.525 3.917 20 30 FHEDRO C=CCCCCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1 ZINC001167390992 930613246 /nfs/dbraw/zinc/61/32/46/930613246.db2.gz DVJDVTSOHBNUEB-LJQANCHMSA-N 1 0 358.526 3.907 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000580548854 930839172 /nfs/dbraw/zinc/83/91/72/930839172.db2.gz OHUQVIQNBRESNH-WBVHZDCISA-N 1 0 370.522 3.968 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000579749090 930933025 /nfs/dbraw/zinc/93/30/25/930933025.db2.gz MPKLULQGMAFVPE-QRWLVFNGSA-N 1 0 366.465 3.688 20 30 FHEDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000580685347 931013932 /nfs/dbraw/zinc/01/39/32/931013932.db2.gz HYNPNKSMPBJZRJ-KRWDZBQOSA-N 1 0 352.482 3.501 20 30 FHEDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1cccc(C#N)c1 ZINC000610461761 931151995 /nfs/dbraw/zinc/15/19/95/931151995.db2.gz GUHHRXGFRDLEQQ-KUHUBIRLSA-N 1 0 370.884 3.875 20 30 FHEDRO C[NH+]=C(NCc1c(C)noc1C)NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000261770413 931344298 /nfs/dbraw/zinc/34/42/98/931344298.db2.gz DRJAPZIWTWCZBB-UHFFFAOYSA-N 1 0 353.470 3.563 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000160697220 931364659 /nfs/dbraw/zinc/36/46/59/931364659.db2.gz DEOVXOFIYKHJQG-PGRDOPGGSA-N 1 0 362.473 3.713 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000510360891 931385266 /nfs/dbraw/zinc/38/52/66/931385266.db2.gz ZWALLRKSUQNJOK-IRXDYDNUSA-N 1 0 361.489 3.753 20 30 FHEDRO CC(C)[C@H]1OCCC[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160721231 931461135 /nfs/dbraw/zinc/46/11/35/931461135.db2.gz PCGJYXNVUZHUSC-IUODEOHRSA-N 1 0 359.392 3.763 20 30 FHEDRO CC(C)[C@@H]1OCCC[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160721378 931461257 /nfs/dbraw/zinc/46/12/57/931461257.db2.gz PCGJYXNVUZHUSC-DOMZBBRYSA-N 1 0 359.392 3.763 20 30 FHEDRO CN(CCCC[NH+](C)C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000610473643 931475837 /nfs/dbraw/zinc/47/58/37/931475837.db2.gz QQBLVSHMOIZWEW-UHFFFAOYSA-N 1 0 365.477 3.551 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1ccsc1 ZINC000042346503 931535590 /nfs/dbraw/zinc/53/55/90/931535590.db2.gz UTVJDDDFKKWMQS-IBGZPJMESA-N 1 0 370.522 3.844 20 30 FHEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ncc(Br)cc1F ZINC000187355268 931547516 /nfs/dbraw/zinc/54/75/16/931547516.db2.gz YTMSSTDPILZXQA-NSHDSACASA-N 1 0 364.218 3.584 20 30 FHEDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000610489909 931744928 /nfs/dbraw/zinc/74/49/28/931744928.db2.gz IDZMDLWJLCJUCA-KRWDZBQOSA-N 1 0 351.475 3.533 20 30 FHEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1)c1ccccc1 ZINC000933125305 931755859 /nfs/dbraw/zinc/75/58/59/931755859.db2.gz KIOYDEKZWJVNIJ-WIYYLYMNSA-N 1 0 367.518 3.757 20 30 FHEDRO N#Cc1ccc([C@H]([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C(N)=O)cc1 ZINC000581300576 931800999 /nfs/dbraw/zinc/80/09/99/931800999.db2.gz VPDBAZVVHDIBQH-NEWSRXKRSA-N 1 0 353.853 3.664 20 30 FHEDRO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000126436226 931822563 /nfs/dbraw/zinc/82/25/63/931822563.db2.gz YUQHRBZIBMVQAA-LBPRGKRZSA-N 1 0 351.541 3.510 20 30 FHEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178036845 932173107 /nfs/dbraw/zinc/17/31/07/932173107.db2.gz YYMONJIRIVJJEI-KRWDZBQOSA-N 1 0 365.452 3.535 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccnc(OC(F)F)c2)ccc1OC ZINC000581539424 932226484 /nfs/dbraw/zinc/22/64/84/932226484.db2.gz VMUYSRMSCGYTNU-UHFFFAOYSA-N 1 0 364.392 3.936 20 30 FHEDRO C=CCOCCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737575 932241062 /nfs/dbraw/zinc/24/10/62/932241062.db2.gz FFIVJAXGEVOPFT-XZOQPEGZSA-N 1 0 350.506 3.837 20 30 FHEDRO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132750 932362331 /nfs/dbraw/zinc/36/23/31/932362331.db2.gz HYGNTVPNRVOHAE-IEBWSBKVSA-N 1 0 369.490 3.658 20 30 FHEDRO C#CCC1(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)CCCCC1 ZINC000276474265 932463108 /nfs/dbraw/zinc/46/31/08/932463108.db2.gz QVQUWTKBPHYEEF-UHFFFAOYSA-N 1 0 369.509 3.798 20 30 FHEDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000157913427 932576212 /nfs/dbraw/zinc/57/62/12/932576212.db2.gz KGESZGGHSMUMTH-UHFFFAOYSA-N 1 0 358.486 3.684 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N2CCC([NH2+]C3CCCC3)CC2)cc1C#N ZINC000157912466 932576528 /nfs/dbraw/zinc/57/65/28/932576528.db2.gz OBRXVHVQFIHIRI-UHFFFAOYSA-N 1 0 370.497 3.874 20 30 FHEDRO CC(C)(C#N)CCC[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933437525 932647432 /nfs/dbraw/zinc/64/74/32/932647432.db2.gz OLIGCURURVPJNO-QGZVFWFLSA-N 1 0 353.304 3.662 20 30 FHEDRO CCCCNC(=O)C1([NH2+]CCCOc2cccc(C#N)c2)CCCCC1 ZINC000477640579 932775523 /nfs/dbraw/zinc/77/55/23/932775523.db2.gz DZJJJXWNCPUHHY-UHFFFAOYSA-N 1 0 357.498 3.536 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000572870636 932863620 /nfs/dbraw/zinc/86/36/20/932863620.db2.gz XXICRQHFQBOCTC-IBGZPJMESA-N 1 0 355.388 3.832 20 30 FHEDRO C[C@H]1CC[N@H+](Cc2cccn2Cc2ccccc2C#N)C[C@@H]1n1ccnc1 ZINC000187462423 932885583 /nfs/dbraw/zinc/88/55/83/932885583.db2.gz GIEKXYYKSRJCEE-AVRDEDQJSA-N 1 0 359.477 3.688 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000247413917 932955444 /nfs/dbraw/zinc/95/54/44/932955444.db2.gz JGZZURNPYUMITJ-MJGOQNOKSA-N 1 0 368.506 3.502 20 30 FHEDRO CC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1Cl ZINC000255384337 932967394 /nfs/dbraw/zinc/96/73/94/932967394.db2.gz QACZYQCSEDVHJG-UVTIVQHFSA-N 1 0 368.264 3.561 20 30 FHEDRO N#CCC[C@H](NC(=O)N[C@H]1CCCCC12CC[NH2+]CC2)c1ccccc1 ZINC000891703989 933037430 /nfs/dbraw/zinc/03/74/30/933037430.db2.gz MWLUGJOQIVKMAL-OALUTQOASA-N 1 0 354.498 3.643 20 30 FHEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000085586494 933062210 /nfs/dbraw/zinc/06/22/10/933062210.db2.gz LCZIHUAREPISDW-INIZCTEOSA-N 1 0 362.543 3.990 20 30 FHEDRO N#Cc1ccc(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000178295586 933070143 /nfs/dbraw/zinc/07/01/43/933070143.db2.gz NKGZJTOKXDARIW-PKTZIBPZSA-N 1 0 373.500 3.614 20 30 FHEDRO Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328883436 933097924 /nfs/dbraw/zinc/09/79/24/933097924.db2.gz MEWZQWNMJNZRJY-QGZVFWFLSA-N 1 0 354.454 3.756 20 30 FHEDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1(CC#N)CC1 ZINC000430758037 933197752 /nfs/dbraw/zinc/19/77/52/933197752.db2.gz YLZVNWPNWKWBEH-GFCCVEGCSA-N 1 0 355.360 3.586 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]CCSCc3ccccc3)C2=O)cc1 ZINC000430759319 933213454 /nfs/dbraw/zinc/21/34/54/933213454.db2.gz XRVCSOYVYFVHFZ-HXUWFJFHSA-N 1 0 365.502 3.577 20 30 FHEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510606188 933271614 /nfs/dbraw/zinc/27/16/14/933271614.db2.gz AMNKWDPXLQNLPP-HXUWFJFHSA-N 1 0 355.526 3.920 20 30 FHEDRO CCC1(CNC(=O)NCC2(CC#N)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000430909820 933394710 /nfs/dbraw/zinc/39/47/10/933394710.db2.gz CEVJUJVIDNLOJW-UHFFFAOYSA-N 1 0 368.525 3.672 20 30 FHEDRO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430927525 933414849 /nfs/dbraw/zinc/41/48/49/933414849.db2.gz REUZCWMCIAAMDL-OAQYLSRUSA-N 1 0 350.462 3.661 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)ccc1OC ZINC000510694440 933439973 /nfs/dbraw/zinc/43/99/73/933439973.db2.gz XYGOUBNDGKLIAK-GOSISDBHSA-N 1 0 355.482 3.763 20 30 FHEDRO COc1cccc(OC)c1OCCCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933772860 933500692 /nfs/dbraw/zinc/50/06/92/933500692.db2.gz XAJMAPZNYDXPQM-UHFFFAOYSA-N 1 0 360.479 3.928 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)Cc2cc(C#N)cs2)c1 ZINC000891847065 933570453 /nfs/dbraw/zinc/57/04/53/933570453.db2.gz UECYUTQWJMBQCO-UHFFFAOYSA-N 1 0 370.522 3.803 20 30 FHEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000610722194 933963404 /nfs/dbraw/zinc/96/34/04/933963404.db2.gz YLOQDWPPJOEZAA-HXUWFJFHSA-N 1 0 356.514 3.600 20 30 FHEDRO C=CCc1cc(C[N@H+]2CCC[C@@H](C(=O)N[C@@H](C)CCC)C2)cc(OC)c1O ZINC000092730712 934150944 /nfs/dbraw/zinc/15/09/44/934150944.db2.gz UVRINHYGTKSHCU-QFBILLFUSA-N 1 0 374.525 3.646 20 30 FHEDRO Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1OCC[NH+](C)C ZINC000458190679 934364690 /nfs/dbraw/zinc/36/46/90/934364690.db2.gz AFKWJXCOHPFIAF-UHFFFAOYSA-N 1 0 365.477 3.989 20 30 FHEDRO COc1cc(C)ccc1[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000610809669 934450148 /nfs/dbraw/zinc/45/01/48/934450148.db2.gz MUBNLOLWNNEVDG-INIZCTEOSA-N 1 0 350.466 3.590 20 30 FHEDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000610830434 934502960 /nfs/dbraw/zinc/50/29/60/934502960.db2.gz STWMUEQTQRCBCG-HUUCEWRRSA-N 1 0 357.479 3.732 20 30 FHEDRO C=CC[NH+](CC=C)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000065167046 934550712 /nfs/dbraw/zinc/55/07/12/934550712.db2.gz PKKBULGBRCJXMS-ZDUSSCGKSA-N 1 0 360.679 3.516 20 30 FHEDRO C=CCOc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1OC ZINC000458288109 934582938 /nfs/dbraw/zinc/58/29/38/934582938.db2.gz QDJLPFDCAPFZOA-UHFFFAOYSA-N 1 0 354.450 3.882 20 30 FHEDRO COc1cccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC(C)C)c1 ZINC000610927711 934629414 /nfs/dbraw/zinc/62/94/14/934629414.db2.gz GTZAGHAXAZUTFE-UHFFFAOYSA-N 1 0 369.465 3.873 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000610986428 934689398 /nfs/dbraw/zinc/68/93/98/934689398.db2.gz PRYNRMAGYUCYJY-UWJYYQICSA-N 1 0 374.488 3.510 20 30 FHEDRO CC(C)(C)c1ccc(C(C)(C)C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000535894211 934723814 /nfs/dbraw/zinc/72/38/14/934723814.db2.gz GCEQJPJUTPMNDY-FQEVSTJZSA-N 1 0 363.505 3.950 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000181513571 934725765 /nfs/dbraw/zinc/72/57/65/934725765.db2.gz YQKHUNLFOIRKGN-KRWDZBQOSA-N 1 0 362.539 3.824 20 30 FHEDRO C=C(C)CN1CCC([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000236691763 934764433 /nfs/dbraw/zinc/76/44/33/934764433.db2.gz VBRGNSFUHLZXMM-UHFFFAOYSA-N 1 0 351.494 3.791 20 30 FHEDRO C[NH+]1CCC([C@H]2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)C2)CC1 ZINC000535914784 934785120 /nfs/dbraw/zinc/78/51/20/934785120.db2.gz NZQSJXXZEWAXSM-AWEZNQCLSA-N 1 0 356.420 3.553 20 30 FHEDRO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000611559924 934827286 /nfs/dbraw/zinc/82/72/86/934827286.db2.gz OFIOSHNVSGZJGF-VQIMIIECSA-N 1 0 353.491 3.726 20 30 FHEDRO CCOC(=O)c1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)o1 ZINC000538414504 934843821 /nfs/dbraw/zinc/84/38/21/934843821.db2.gz IAWVQVZAAXZOJJ-UHFFFAOYSA-N 1 0 368.433 3.808 20 30 FHEDRO N#Cc1cc(Br)ccc1CN1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000320386448 934853404 /nfs/dbraw/zinc/85/34/04/934853404.db2.gz SNIGPWUZOYKDPH-KZNAEPCWSA-N 1 0 363.299 3.836 20 30 FHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000431283563 934865263 /nfs/dbraw/zinc/86/52/63/934865263.db2.gz QIFNJTSAXHZHEZ-AZUAARDMSA-N 1 0 356.514 3.699 20 30 FHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000431283566 934865605 /nfs/dbraw/zinc/86/56/05/934865605.db2.gz QIFNJTSAXHZHEZ-UYAOXDASSA-N 1 0 356.514 3.699 20 30 FHEDRO C=CCc1cc(C[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)cc(OC)c1O ZINC000472050974 934901138 /nfs/dbraw/zinc/90/11/38/934901138.db2.gz CVAYOZUKALDGPX-IIBYNOLFSA-N 1 0 354.494 3.910 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000625886086 934980580 /nfs/dbraw/zinc/98/05/80/934980580.db2.gz GJJQTVRIMKBLEL-GJZGRUSLSA-N 1 0 355.404 3.796 20 30 FHEDRO C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548612911 935008100 /nfs/dbraw/zinc/00/81/00/935008100.db2.gz BGAISKFICLKFGW-BEFAXECRSA-N 1 0 367.880 3.852 20 30 FHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000539071382 935008227 /nfs/dbraw/zinc/00/82/27/935008227.db2.gz SOAWWSKCWQAHKC-HNNXBMFYSA-N 1 0 354.475 3.913 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCCC(=O)c2ccc(F)cc2)CC1 ZINC000427096025 945076072 /nfs/dbraw/zinc/07/60/72/945076072.db2.gz ZORZOEPXUSXRHO-UHFFFAOYSA-N 1 0 360.473 3.726 20 30 FHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3cccc(F)c3C#N)cc2)C[C@@H](C)O1 ZINC000071952650 935069132 /nfs/dbraw/zinc/06/91/32/935069132.db2.gz RKKUUUAGLWDUOB-HZPDHXFCSA-N 1 0 353.441 3.919 20 30 FHEDRO CN(C(=O)C[NH+]1CCC(Cc2cccc(F)c2)CC1)C1(C#N)CCCCC1 ZINC000071953261 935076709 /nfs/dbraw/zinc/07/67/09/935076709.db2.gz WMQMKIQOWWSERE-UHFFFAOYSA-N 1 0 371.500 3.765 20 30 FHEDRO C=CCCn1cc(CNCc2ccccc2C[N@H+]2CCCC[C@H]2C)nn1 ZINC000657311628 935105339 /nfs/dbraw/zinc/10/53/39/935105339.db2.gz PTSGNIRFDFPLKO-GOSISDBHSA-N 1 0 353.514 3.518 20 30 FHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)Cc2cccnc2)ccc1Cl ZINC000934234614 935112544 /nfs/dbraw/zinc/11/25/44/935112544.db2.gz NNCOUYRIEMLTNE-MRXNPFEDSA-N 1 0 370.884 3.511 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)[C@H]1n1cccn1 ZINC000551317540 935253283 /nfs/dbraw/zinc/25/32/83/935253283.db2.gz MWYLDGWZIWZUJM-UWHLTILDSA-N 1 0 350.466 3.531 20 30 FHEDRO CC(C)C[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001167548569 935279464 /nfs/dbraw/zinc/27/94/64/935279464.db2.gz BMYDXAJRIFEQSO-KRWDZBQOSA-N 1 0 366.427 3.541 20 30 FHEDRO C=CCCn1cc(C[NH2+]C[C@@H]2CCCCN2Cc2cccc(Cl)c2)nn1 ZINC000657355875 935335657 /nfs/dbraw/zinc/33/56/57/935335657.db2.gz CLRKZJOPRMKWKJ-FQEVSTJZSA-N 1 0 373.932 3.652 20 30 FHEDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000562023669 935358584 /nfs/dbraw/zinc/35/85/84/935358584.db2.gz PNRKCZHRTQRREB-FQEVSTJZSA-N 1 0 366.465 3.770 20 30 FHEDRO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1-c1ccccc1 ZINC000507272393 945097741 /nfs/dbraw/zinc/09/77/41/945097741.db2.gz FLOPKERKCNRFQE-UHFFFAOYSA-N 1 0 369.468 3.973 20 30 FHEDRO CN(C)C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000582199050 935395464 /nfs/dbraw/zinc/39/54/64/935395464.db2.gz GNKNUKKZOCRFTP-JOCHJYFZSA-N 1 0 366.484 3.559 20 30 FHEDRO CCc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000478427993 935631918 /nfs/dbraw/zinc/63/19/18/935631918.db2.gz NJSDRXAVIMKEQC-NRFANRHFSA-N 1 0 370.518 3.881 20 30 FHEDRO C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)c1ccc(C#N)cc1 ZINC000707984376 935654867 /nfs/dbraw/zinc/65/48/67/935654867.db2.gz VDIGINLSPTYXST-XIVBQZFQSA-N 1 0 355.482 3.997 20 30 FHEDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)[C@@H]2C1 ZINC000158264510 935665440 /nfs/dbraw/zinc/66/54/40/935665440.db2.gz HCXORHKYDYQSMU-MZYLBHOOSA-N 1 0 362.473 3.994 20 30 FHEDRO Cc1csc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C#N ZINC000563353856 935691660 /nfs/dbraw/zinc/69/16/60/935691660.db2.gz AHYINHXJPKZUFH-CALCHBBNSA-N 1 0 366.490 3.524 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000178579165 935725689 /nfs/dbraw/zinc/72/56/89/935725689.db2.gz YDWZYAUFSSPHQK-SFHVURJKSA-N 1 0 354.498 3.987 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000582520210 935795066 /nfs/dbraw/zinc/79/50/66/935795066.db2.gz RGOVBYPDMZKLHI-AZUAARDMSA-N 1 0 367.541 3.906 20 30 FHEDRO COc1cccc(NC2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)c1 ZINC000135113886 935813055 /nfs/dbraw/zinc/81/30/55/935813055.db2.gz FCZIYEAYRMQBPS-UHFFFAOYSA-N 1 0 351.450 3.652 20 30 FHEDRO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2c1 ZINC000127818527 935817155 /nfs/dbraw/zinc/81/71/55/935817155.db2.gz DOYVZEFESZTGNP-MRXNPFEDSA-N 1 0 357.417 3.727 20 30 FHEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000479382516 935835715 /nfs/dbraw/zinc/83/57/15/935835715.db2.gz BIOORLWWVLUTHT-OAQYLSRUSA-N 1 0 358.445 3.790 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C\Sc1ccccc1 ZINC000255520102 935940411 /nfs/dbraw/zinc/94/04/11/935940411.db2.gz SQAQHXKRPIIIPA-QINSGFPZSA-N 1 0 365.502 3.754 20 30 FHEDRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472250268 936017245 /nfs/dbraw/zinc/01/72/45/936017245.db2.gz UFFWVWVVSGLSEK-AWEZNQCLSA-N 1 0 356.470 3.677 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc1Cl ZINC000657580067 936050161 /nfs/dbraw/zinc/05/01/61/936050161.db2.gz YTBJXJZEQGSTDO-JFIYKMOQSA-N 1 0 353.890 3.561 20 30 FHEDRO CCCCCCCCCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000755250871 936138032 /nfs/dbraw/zinc/13/80/32/936138032.db2.gz OSZSRODXYMJJPK-UHFFFAOYSA-N 1 0 353.551 3.633 20 30 FHEDRO C=CCOc1c(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000628160043 936140082 /nfs/dbraw/zinc/14/00/82/936140082.db2.gz FVEOGOIVTMWNLT-INIZCTEOSA-N 1 0 350.890 3.584 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2C[C@H](C)[C@@H](C)C2)c1C#N ZINC000472264222 936155996 /nfs/dbraw/zinc/15/59/96/936155996.db2.gz WFFMFZVCXZSTEU-GJZGRUSLSA-N 1 0 368.481 3.534 20 30 FHEDRO CC[NH+](CC)CCN(Cc1cccs1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000582818917 936168918 /nfs/dbraw/zinc/16/89/18/936168918.db2.gz TZMLRCCTDXUXOG-UHFFFAOYSA-N 1 0 358.467 3.876 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000582835860 936196129 /nfs/dbraw/zinc/19/61/29/936196129.db2.gz SQXFAXTWQPBJOY-FPOVZHCZSA-N 1 0 366.509 3.596 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000582835862 936196157 /nfs/dbraw/zinc/19/61/57/936196157.db2.gz SQXFAXTWQPBJOY-TZIWHRDSSA-N 1 0 366.509 3.596 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)cc1 ZINC000237834425 936291176 /nfs/dbraw/zinc/29/11/76/936291176.db2.gz JQQKWKRPWDCQMJ-GOSISDBHSA-N 1 0 356.416 3.735 20 30 FHEDRO CC[C@H](C#N)Sc1nnc([C@H](CC)N(C)C)n1-c1ccc(OC)cc1 ZINC000127000401 938250321 /nfs/dbraw/zinc/25/03/21/938250321.db2.gz CPKFWAIKDHEXHD-CVEARBPZSA-N 1 0 359.499 3.683 20 30 FHEDRO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000511804309 945160973 /nfs/dbraw/zinc/16/09/73/945160973.db2.gz CTKOYPGOKDZTDG-VQTJNVASSA-N 1 0 358.526 3.775 20 30 FHEDRO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000161732373 938272579 /nfs/dbraw/zinc/27/25/79/938272579.db2.gz SOSHOHWPPCZUBM-MRXNPFEDSA-N 1 0 369.440 3.966 20 30 FHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000329221894 938293255 /nfs/dbraw/zinc/29/32/55/938293255.db2.gz VLOBDWJTGNDHSG-HKUYNNGSSA-N 1 0 372.513 3.775 20 30 FHEDRO C=CCC[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)C1CC1 ZINC000583535663 938296070 /nfs/dbraw/zinc/29/60/70/938296070.db2.gz XJUOWZUVDYLDFX-IBGZPJMESA-N 1 0 367.493 3.890 20 30 FHEDRO CCOc1ccccc1[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161763773 938299910 /nfs/dbraw/zinc/29/99/10/938299910.db2.gz JYLXXKXXRZPKPJ-INIZCTEOSA-N 1 0 350.466 3.672 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000468333610 938302480 /nfs/dbraw/zinc/30/24/80/938302480.db2.gz HTWZRWPNKJBGGB-HXUWFJFHSA-N 1 0 357.542 3.841 20 30 FHEDRO C#CCCCCC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245581631 938305702 /nfs/dbraw/zinc/30/57/02/938305702.db2.gz HPBYRWGMNBSOMY-DNVCBOLYSA-N 1 0 350.865 3.782 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000329261888 938308035 /nfs/dbraw/zinc/30/80/35/938308035.db2.gz ZGMGNDQCRAUWGU-SOLBZPMBSA-N 1 0 361.534 3.607 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000245696822 938311432 /nfs/dbraw/zinc/31/14/32/938311432.db2.gz BDWZIRQQVOUJLW-OWCLPIDISA-N 1 0 358.511 3.639 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000329297433 938329554 /nfs/dbraw/zinc/32/95/54/938329554.db2.gz UCNGIFTUEJDYDE-CVEARBPZSA-N 1 0 363.527 3.574 20 30 FHEDRO CCOC(=O)C1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000473075513 945170482 /nfs/dbraw/zinc/17/04/82/945170482.db2.gz NIURRTKYZNJUTM-UHFFFAOYSA-N 1 0 364.445 3.570 20 30 FHEDRO C=C(C)[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000458677461 938415752 /nfs/dbraw/zinc/41/57/52/938415752.db2.gz PSOSTJFOUZKQBJ-YJBOKZPZSA-N 1 0 351.441 3.706 20 30 FHEDRO Cc1cn2cc(NC(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccc2n1 ZINC000329465187 938430228 /nfs/dbraw/zinc/43/02/28/938430228.db2.gz UZPPSNZJTCTVGN-SFHVURJKSA-N 1 0 369.513 3.632 20 30 FHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425758375 945174395 /nfs/dbraw/zinc/17/43/95/945174395.db2.gz JHIQYTGUKCSKIQ-FXAWDEMLSA-N 1 0 356.514 3.800 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccccc1-c1ccc(Cl)cc1 ZINC000583930070 938486963 /nfs/dbraw/zinc/48/69/63/938486963.db2.gz OVOPVWJPGJUAAG-APWZRJJASA-N 1 0 371.912 3.864 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC(C)(C)c1ccc(C)nc1)C(C)C ZINC000546118716 945180863 /nfs/dbraw/zinc/18/08/63/945180863.db2.gz RVZZLPPQMDECHL-LJQANCHMSA-N 1 0 358.530 3.623 20 30 FHEDRO Cc1c2cc(Cl)ccc2sc1C[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000583994779 938525906 /nfs/dbraw/zinc/52/59/06/938525906.db2.gz ORCVDZYGRZKUKV-LBPRGKRZSA-N 1 0 371.897 3.763 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000536193463 938546644 /nfs/dbraw/zinc/54/66/44/938546644.db2.gz VGCXEJZRHSXPTQ-YADHBBJMSA-N 1 0 363.505 3.872 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000584026574 938556340 /nfs/dbraw/zinc/55/63/40/938556340.db2.gz SFJBIQXZDUIUFR-ICSRJNTNSA-N 1 0 356.510 3.539 20 30 FHEDRO CC(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1cccnc1 ZINC000278585444 938559870 /nfs/dbraw/zinc/55/98/70/938559870.db2.gz GJWQXYXMKXSZIP-OAQYLSRUSA-N 1 0 374.492 3.783 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000519168331 945186427 /nfs/dbraw/zinc/18/64/27/945186427.db2.gz WSALBDSFPWFYNA-WBHUJUFNSA-N 1 0 365.930 3.909 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCC(c3ccccc3)CC2)cc1 ZINC000584088460 938591093 /nfs/dbraw/zinc/59/10/93/938591093.db2.gz BYJGGYGAVONHJR-UHFFFAOYSA-N 1 0 368.502 3.648 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@]3(C#N)CC34CCCC4)c2)CC1 ZINC000584094224 938595398 /nfs/dbraw/zinc/59/53/98/938595398.db2.gz HUIWWIUGJJGFEI-QFIPXVFZSA-N 1 0 366.509 3.630 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000657829880 938613989 /nfs/dbraw/zinc/61/39/89/938613989.db2.gz AXCICCLNGZXYCO-RXVVDRJESA-N 1 0 355.526 3.814 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807504 938614819 /nfs/dbraw/zinc/61/48/19/938614819.db2.gz VQQZMZIZZJLIBT-IIBYNOLFSA-N 1 0 362.477 3.680 20 30 FHEDRO C=C(C)[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000248510874 938626835 /nfs/dbraw/zinc/62/68/35/938626835.db2.gz APERFFXHVZUOKL-RKVPGOIHSA-N 1 0 351.441 3.754 20 30 FHEDRO C=C(C)[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccc(F)c(F)c1 ZINC000248566898 938651427 /nfs/dbraw/zinc/65/14/27/938651427.db2.gz QDTDAWPNHSMLQF-KXBFYZLASA-N 1 0 365.468 3.859 20 30 FHEDRO Oc1ccc(Cl)cc1/C=N\C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000588592102 938673770 /nfs/dbraw/zinc/67/37/70/938673770.db2.gz RTAGTIWTETVHNS-ZIHVZMLCSA-N 1 0 358.869 3.756 20 30 FHEDRO C[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1(C)C ZINC000584301349 938676649 /nfs/dbraw/zinc/67/66/49/938676649.db2.gz RHTVMSKPTPWKLI-UHFFFAOYSA-N 1 0 363.461 3.711 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000506748008 945195100 /nfs/dbraw/zinc/19/51/00/945195100.db2.gz QCLWEOCBUQWWTO-UHFFFAOYSA-N 1 0 355.507 3.933 20 30 FHEDRO CCOc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278731327 938697398 /nfs/dbraw/zinc/69/73/98/938697398.db2.gz UKNIMKCATYEDJI-UHFFFAOYSA-N 1 0 361.449 3.547 20 30 FHEDRO Cc1cc(C)cc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278740393 938715053 /nfs/dbraw/zinc/71/50/53/938715053.db2.gz VJXDTHCOTWANLM-UHFFFAOYSA-N 1 0 359.477 3.808 20 30 FHEDRO CC[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000278755862 938806867 /nfs/dbraw/zinc/80/68/67/938806867.db2.gz OGPGTHZXFYNWPD-FQEVSTJZSA-N 1 0 351.450 3.752 20 30 FHEDRO CCCc1c(NC(=O)[C@H](CC)[NH+](CC)CC)cnn1-c1cccc(C#N)c1 ZINC000440074485 945206918 /nfs/dbraw/zinc/20/69/18/945206918.db2.gz RPUQVZYPCNATCH-IBGZPJMESA-N 1 0 367.497 3.755 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000458801133 938945435 /nfs/dbraw/zinc/94/54/35/938945435.db2.gz MRJQDOBIXHYIRS-FQEVSTJZSA-N 1 0 354.498 3.691 20 30 FHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458802713 938959912 /nfs/dbraw/zinc/95/99/12/938959912.db2.gz PWJGSWCEBZWJLM-CTNGQTDRSA-N 1 0 368.525 3.795 20 30 FHEDRO CC(C)[N@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1 ZINC000128237628 938963722 /nfs/dbraw/zinc/96/37/22/938963722.db2.gz CTQPWXJWASTYPC-UHFFFAOYSA-N 1 0 364.449 3.507 20 30 FHEDRO C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C[C@@H]1CCC[C@@H]1O ZINC000091899880 938965676 /nfs/dbraw/zinc/96/56/76/938965676.db2.gz DNDZDLZRKQWOEO-UGKGYDQZSA-N 1 0 350.462 3.730 20 30 FHEDRO N#CCCn1cc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000278776229 938966543 /nfs/dbraw/zinc/96/65/43/938966543.db2.gz YQUJFUCQJIZIGY-TZIWHRDSSA-N 1 0 357.461 3.580 20 30 FHEDRO N#Cc1ccc(CCNc2[nH+]c(N3CCOCC3)cc3ccccc32)cc1 ZINC001167678260 938995588 /nfs/dbraw/zinc/99/55/88/938995588.db2.gz CDUOTXFVVVKKEA-UHFFFAOYSA-N 1 0 358.445 3.598 20 30 FHEDRO C#CCCCCCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000780514007 938996969 /nfs/dbraw/zinc/99/69/69/938996969.db2.gz RUMBQZBKPSMFJT-LJQANCHMSA-N 1 0 356.510 3.586 20 30 FHEDRO Cc1coc(-c2cccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)n1 ZINC000329873165 939001051 /nfs/dbraw/zinc/00/10/51/939001051.db2.gz DPEFOQIWWDZZIF-SFHVURJKSA-N 1 0 354.454 3.756 20 30 FHEDRO C=CCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000548850991 939010259 /nfs/dbraw/zinc/01/02/59/939010259.db2.gz HLMXXVBVCBCXNQ-UHFFFAOYSA-N 1 0 365.525 3.752 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnc(C(F)(F)F)cc2C)CC1 ZINC000685673276 939012406 /nfs/dbraw/zinc/01/24/06/939012406.db2.gz NFKHQSZDUZWWFE-UHFFFAOYSA-N 1 0 356.392 3.571 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472355637 939020056 /nfs/dbraw/zinc/02/00/56/939020056.db2.gz YIZNSMYMRBNWQX-NSHGMRRFSA-N 1 0 353.510 3.671 20 30 FHEDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)cc1OCCCC#N ZINC000147179963 939027072 /nfs/dbraw/zinc/02/70/72/939027072.db2.gz NIPPTRTZWKREBE-IBGZPJMESA-N 1 0 354.450 3.509 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000612116964 939082795 /nfs/dbraw/zinc/08/27/95/939082795.db2.gz GZNOLKYMCLFEOR-QFIPXVFZSA-N 1 0 368.525 3.898 20 30 FHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)/C=C\c1ccccc1C#N ZINC000255695344 939121221 /nfs/dbraw/zinc/12/12/21/939121221.db2.gz LSWPBUOJKTYQGT-SREVYHEPSA-N 1 0 374.488 3.732 20 30 FHEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179410758 939147556 /nfs/dbraw/zinc/14/75/56/939147556.db2.gz VBQJCKIIHYQTAF-UHFFFAOYSA-N 1 0 371.488 3.515 20 30 FHEDRO C[NH+](C)[C@@H](C/N=C\c1cc(Br)ccc1O)c1cccs1 ZINC000255729849 939150458 /nfs/dbraw/zinc/15/04/58/939150458.db2.gz KNUHASOJWZRVBL-OLWAXZHHSA-N 1 0 353.285 3.938 20 30 FHEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000179471963 939167447 /nfs/dbraw/zinc/16/74/47/939167447.db2.gz GFJCSRZWWOOPCX-GOSISDBHSA-N 1 0 373.497 3.810 20 30 FHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccccc1C#N ZINC000255766336 939177430 /nfs/dbraw/zinc/17/74/30/939177430.db2.gz FDTVGNOMVCRNJS-BIGNBACZSA-N 1 0 373.500 3.942 20 30 FHEDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccn2Cc2ccccc2C#N)C1 ZINC000188322594 939182631 /nfs/dbraw/zinc/18/26/31/939182631.db2.gz MDYJSYVYDDZHNR-IBGZPJMESA-N 1 0 373.504 3.596 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000425784244 945240292 /nfs/dbraw/zinc/24/02/92/945240292.db2.gz JTAABRMFHWWOHZ-CSODHUTKSA-N 1 0 364.493 3.952 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000660566402 945249506 /nfs/dbraw/zinc/24/95/06/945249506.db2.gz BTPNALZXUGDDBG-LJQANCHMSA-N 1 0 359.514 3.515 20 30 FHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnc(-c4ccccc4)[nH]3)CC2)nc1 ZINC000179562288 939888215 /nfs/dbraw/zinc/88/82/15/939888215.db2.gz BJCXZJZDXAYOOP-UHFFFAOYSA-N 1 0 373.460 3.823 20 30 FHEDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000167040356 939911389 /nfs/dbraw/zinc/91/13/89/939911389.db2.gz SQSKFLDACOCIEY-DNVCBOLYSA-N 1 0 350.422 3.931 20 30 FHEDRO CCC(CC)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)SC ZINC000278787118 939939675 /nfs/dbraw/zinc/93/96/75/939939675.db2.gz ZWQLXILZYBJGRQ-UHFFFAOYSA-N 1 0 357.527 3.870 20 30 FHEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000413649002 939973991 /nfs/dbraw/zinc/97/39/91/939973991.db2.gz PFFGHKWBKZEXSE-OAQYLSRUSA-N 1 0 364.493 3.783 20 30 FHEDRO CC1CCC([NH+]2CCC(NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000364648672 939978556 /nfs/dbraw/zinc/97/85/56/939978556.db2.gz RVYZEHSRHMCTPN-UHFFFAOYSA-N 1 0 365.521 3.749 20 30 FHEDRO C=CCC[C@H]([NH2+]C1CCN(c2cc(C(=O)OC)ccn2)CC1)c1ccco1 ZINC000375854900 939980481 /nfs/dbraw/zinc/98/04/81/939980481.db2.gz XAENGYGFCZWMNR-SFHVURJKSA-N 1 0 369.465 3.727 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000458806213 939992558 /nfs/dbraw/zinc/99/25/58/939992558.db2.gz VUZDXAANWGJJMH-AZUAARDMSA-N 1 0 354.498 3.549 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000612357996 940020755 /nfs/dbraw/zinc/02/07/55/940020755.db2.gz ZFVVZUMTZZLUBP-OAQYLSRUSA-N 1 0 354.498 3.508 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(N[C@@H]3COc4cc(F)cc(F)c43)CC2)cc1 ZINC000612403955 940049317 /nfs/dbraw/zinc/04/93/17/940049317.db2.gz DSQFYPGRNDMVDM-LJQANCHMSA-N 1 0 369.415 3.524 20 30 FHEDRO C[C@@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H](C)[NH3+] ZINC000414903338 945292618 /nfs/dbraw/zinc/29/26/18/945292618.db2.gz LKDXYRHHXHTXBH-AHIWAGSCSA-N 1 0 356.857 3.853 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCSc1ccccc1 ZINC000065931342 940079823 /nfs/dbraw/zinc/07/98/23/940079823.db2.gz WPNXTWBNPLZKEZ-UHFFFAOYSA-N 1 0 367.518 3.631 20 30 FHEDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000179893679 940091904 /nfs/dbraw/zinc/09/19/04/940091904.db2.gz UYNAEZAVMMEZIE-AUUYWEPGSA-N 1 0 367.424 3.552 20 30 FHEDRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000548936640 940103125 /nfs/dbraw/zinc/10/31/25/940103125.db2.gz JAZPJPRYCGKJJB-ZDUSSCGKSA-N 1 0 372.266 3.919 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000413835872 940173905 /nfs/dbraw/zinc/17/39/05/940173905.db2.gz OGWVPKUJXOSVRQ-QUCCMNQESA-N 1 0 355.526 3.690 20 30 FHEDRO CCOC(=O)C1CCC([N@H+](CC)Cc2cn3ccccc3c2C#N)CC1 ZINC000548944528 940174734 /nfs/dbraw/zinc/17/47/34/940174734.db2.gz YEGFJLZKGVWQLF-UHFFFAOYSA-N 1 0 353.466 3.755 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000413837187 940175741 /nfs/dbraw/zinc/17/57/41/940175741.db2.gz QPUFCDHNMWKLAU-NJYVYQBISA-N 1 0 355.526 3.831 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000376046694 940236696 /nfs/dbraw/zinc/23/66/96/940236696.db2.gz RAPGWPHVPLDZNE-HNNXBMFYSA-N 1 0 355.413 3.555 20 30 FHEDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)c1cc(C#N)ccc1Cl)CC2)C1CC1 ZINC000376064679 940263817 /nfs/dbraw/zinc/26/38/17/940263817.db2.gz DLMGKSAGDHZLEX-HNNXBMFYSA-N 1 0 357.885 3.548 20 30 FHEDRO COC(=O)[C@H](C)Oc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180030904 940275379 /nfs/dbraw/zinc/27/53/79/940275379.db2.gz IPLHMNNMPHUZMA-INIZCTEOSA-N 1 0 364.445 3.663 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c(-c2ccccc2)n1 ZINC000092071617 940319323 /nfs/dbraw/zinc/31/93/23/940319323.db2.gz IDSLQPDOFGQDIH-SFHVURJKSA-N 1 0 360.465 3.566 20 30 FHEDRO CCOCc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180043977 940319630 /nfs/dbraw/zinc/31/96/30/940319630.db2.gz PASDCNMXOQJTCN-UHFFFAOYSA-N 1 0 360.461 3.785 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000066178387 940326849 /nfs/dbraw/zinc/32/68/49/940326849.db2.gz IRCVXEZOVAZKJB-MSOLQXFVSA-N 1 0 356.514 3.741 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)cc1 ZINC000376116491 940328824 /nfs/dbraw/zinc/32/88/24/940328824.db2.gz POASBKUEVHCYIW-KYNGSXCRSA-N 1 0 367.449 3.530 20 30 FHEDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000519610129 945317446 /nfs/dbraw/zinc/31/74/46/945317446.db2.gz SHOMNZHWQMQLNM-UHOFOFEASA-N 1 0 353.388 3.636 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)O1 ZINC000376168278 940409124 /nfs/dbraw/zinc/40/91/24/940409124.db2.gz VSBHMMOAUQOGKO-FIAHSWLMSA-N 1 0 369.292 3.856 20 30 FHEDRO C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000177770024 940423261 /nfs/dbraw/zinc/42/32/61/940423261.db2.gz DWDKCGZUDCFWLE-MRXNPFEDSA-N 1 0 373.497 3.887 20 30 FHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000548986935 940437721 /nfs/dbraw/zinc/43/77/21/940437721.db2.gz UTAWWTLATSFKAS-KDOFPFPSSA-N 1 0 354.885 3.989 20 30 FHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccc(C#N)s1 ZINC000472499580 940437949 /nfs/dbraw/zinc/43/79/49/940437949.db2.gz MKELEXOWOIRVJO-HUUCEWRRSA-N 1 0 353.491 3.506 20 30 FHEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1OC ZINC000580131982 940463444 /nfs/dbraw/zinc/46/34/44/940463444.db2.gz NJKODXFIWPUDEM-UHFFFAOYSA-N 1 0 350.340 3.884 20 30 FHEDRO CN1CC[C@H]([NH2+]CCOc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580486253 940476754 /nfs/dbraw/zinc/47/67/54/940476754.db2.gz WJRUPWHGZVBJTP-PMACEKPBSA-N 1 0 373.859 3.765 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000581101466 940493673 /nfs/dbraw/zinc/49/36/73/940493673.db2.gz IDXDZVXWSSMGIX-BEFAXECRSA-N 1 0 366.440 3.872 20 30 FHEDRO COc1cc(C#N)ccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000545296750 940499919 /nfs/dbraw/zinc/49/99/19/940499919.db2.gz VZIOBMDITBKMKZ-UHFFFAOYSA-N 1 0 370.497 3.687 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000581978576 940637082 /nfs/dbraw/zinc/63/70/82/940637082.db2.gz FYCRPBYDQSGJTI-FQEVSTJZSA-N 1 0 351.406 3.903 20 30 FHEDRO CCC[C@@H](CCc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000581939352 940639648 /nfs/dbraw/zinc/63/96/48/940639648.db2.gz WYTZSOCCDJRAKK-FQEVSTJZSA-N 1 0 370.518 3.723 20 30 FHEDRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000431819260 940651413 /nfs/dbraw/zinc/65/14/13/940651413.db2.gz YOGXDQIVHDNNKB-FQEVSTJZSA-N 1 0 356.514 3.841 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCOc1ccc(Br)cc1)CC2 ZINC000582211123 940654442 /nfs/dbraw/zinc/65/44/42/940654442.db2.gz XENCLEFMVFQEKW-GOSISDBHSA-N 1 0 357.251 3.977 20 30 FHEDRO N#Cc1ccccc1SCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173707587 940661798 /nfs/dbraw/zinc/66/17/98/940661798.db2.gz QOALFJLJEWMSIT-UHFFFAOYSA-N 1 0 365.502 3.563 20 30 FHEDRO CCCO[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180135674 940679362 /nfs/dbraw/zinc/67/93/62/940679362.db2.gz IRHPHYHNVMCEDB-HXUWFJFHSA-N 1 0 352.482 3.740 20 30 FHEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)c1 ZINC000173900790 940685472 /nfs/dbraw/zinc/68/54/72/940685472.db2.gz YRMZFMTXBIWBRL-GOSISDBHSA-N 1 0 368.506 3.851 20 30 FHEDRO CCOCCC[N@@H+]1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@@H](C)C1 ZINC000613427007 940693619 /nfs/dbraw/zinc/69/36/19/940693619.db2.gz WAXYMYXPWZZHAN-WMZOPIPTSA-N 1 0 358.530 3.800 20 30 FHEDRO CC(C)(CC#N)C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000414175360 940712703 /nfs/dbraw/zinc/71/27/03/940712703.db2.gz ZCVHSTWRFMPMDQ-IBGZPJMESA-N 1 0 374.481 3.848 20 30 FHEDRO CC1CC[NH+](Cc2ccc(-c3noc([C@@]4(C#N)CCCOC4)n3)cc2)CC1 ZINC000866879160 940727194 /nfs/dbraw/zinc/72/71/94/940727194.db2.gz OYNKWZVLCUFWLK-OAQYLSRUSA-N 1 0 366.465 3.540 20 30 FHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000414215531 940786570 /nfs/dbraw/zinc/78/65/70/940786570.db2.gz XNUKXEWODJTZSI-UHFFFAOYSA-N 1 0 354.903 3.696 20 30 FHEDRO COCC[C@@H]1CCCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000613503350 940794733 /nfs/dbraw/zinc/79/47/33/940794733.db2.gz MDYVNSJELIXCGD-SFHVURJKSA-N 1 0 352.482 3.691 20 30 FHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000175528970 940877884 /nfs/dbraw/zinc/87/78/84/940877884.db2.gz LIKPCDFBVZDZHB-SFHVURJKSA-N 1 0 365.502 3.948 20 30 FHEDRO CC(C)[NH+](CCCNCc1cn(C)nc1-c1ccc(C#N)cc1)C(C)C ZINC000180273406 940909602 /nfs/dbraw/zinc/90/96/02/940909602.db2.gz VHQPCIZQVSVIJU-UHFFFAOYSA-N 1 0 353.514 3.557 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000376397777 940911758 /nfs/dbraw/zinc/91/17/58/940911758.db2.gz KKHHPHPGELGXHM-INIZCTEOSA-N 1 0 373.463 3.791 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000414296745 940912861 /nfs/dbraw/zinc/91/28/61/940912861.db2.gz GRXDIFWVFKRSEX-MJGOQNOKSA-N 1 0 372.534 3.789 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC000892603416 940919489 /nfs/dbraw/zinc/91/94/89/940919489.db2.gz LKWZQQIQXXPKNO-BZUAXINKSA-N 1 0 354.372 3.558 20 30 FHEDRO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000330110276 945361051 /nfs/dbraw/zinc/36/10/51/945361051.db2.gz AAIZKXQHYBXXMT-UYAOXDASSA-N 1 0 368.481 3.772 20 30 FHEDRO CCC1(CC)[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1OC ZINC000180301881 940932582 /nfs/dbraw/zinc/93/25/82/940932582.db2.gz HDLMNZUNCIINJJ-MOPGFXCFSA-N 1 0 352.482 3.642 20 30 FHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)Nc3cccc(C#N)c3)oc21 ZINC000180355176 940982856 /nfs/dbraw/zinc/98/28/56/940982856.db2.gz GQYVZYYPEMGEBC-CQSZACIVSA-N 1 0 363.417 3.992 20 30 FHEDRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000330121296 945365647 /nfs/dbraw/zinc/36/56/47/945365647.db2.gz GVBYXQSAPVBEIN-HNNXBMFYSA-N 1 0 353.825 3.898 20 30 FHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3cc(C#N)cs3)CCN2C2CC2)c1 ZINC000180379127 940992579 /nfs/dbraw/zinc/99/25/79/940992579.db2.gz HRWQWXGAUGFTQD-UXHICEINSA-N 1 0 353.491 3.696 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+](C(C)C)C(C)C)c1C#N ZINC000180447891 941020945 /nfs/dbraw/zinc/02/09/45/941020945.db2.gz MZXKROMPJQNPKH-UHFFFAOYSA-N 1 0 356.470 3.675 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000066676161 941059266 /nfs/dbraw/zinc/05/92/66/941059266.db2.gz DDKZCBHWHMXAKD-VAWYXSNFSA-N 1 0 373.500 3.942 20 30 FHEDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000180695975 941064749 /nfs/dbraw/zinc/06/47/49/941064749.db2.gz LAGZUJFZFFXBOH-CYBMUJFWSA-N 1 0 357.841 3.900 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000472602247 941068710 /nfs/dbraw/zinc/06/87/10/941068710.db2.gz PLSXBZNPMZXUJN-SXLOBPIMSA-N 1 0 353.510 3.719 20 30 FHEDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000176718899 941071793 /nfs/dbraw/zinc/07/17/93/941071793.db2.gz MKCCHDNZJLXEEE-RDTXWAMCSA-N 1 0 369.490 3.863 20 30 FHEDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177100066 941101801 /nfs/dbraw/zinc/10/18/01/941101801.db2.gz VWJQQCNRNXPESH-KRWDZBQOSA-N 1 0 366.427 3.685 20 30 FHEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@H](O)c4ccc(C#N)cc4)C3)nc2c1 ZINC000181163164 941111416 /nfs/dbraw/zinc/11/14/16/941111416.db2.gz GQRQVKOGAYOBCO-NQIIRXRSSA-N 1 0 360.461 3.656 20 30 FHEDRO CC[NH+](CC)CCCC1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000189059856 941146051 /nfs/dbraw/zinc/14/60/51/941146051.db2.gz JGCOLVHTHDPWIR-UHFFFAOYSA-N 1 0 367.537 3.950 20 30 FHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1 ZINC000189212176 941153183 /nfs/dbraw/zinc/15/31/83/941153183.db2.gz USNMZXWISBJOHD-FQEVSTJZSA-N 1 0 365.521 3.560 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CC)Cc2c[nH]c3ccccc23)CC1 ZINC000188000822 941241726 /nfs/dbraw/zinc/24/17/26/941241726.db2.gz LICAURKXGNBLEY-UHFFFAOYSA-N 1 0 354.498 3.740 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000178560799 941276797 /nfs/dbraw/zinc/27/67/97/941276797.db2.gz DQXOAHAATOZKEH-UHFFFAOYSA-N 1 0 364.493 3.895 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCO[C@@H](CF)C3)c2)c1 ZINC000414479624 941330444 /nfs/dbraw/zinc/33/04/44/941330444.db2.gz SFIOXYHMESJNCP-NRFANRHFSA-N 1 0 354.425 3.698 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000376661771 941375682 /nfs/dbraw/zinc/37/56/82/941375682.db2.gz UQARYGJMMIXOKP-WBVHZDCISA-N 1 0 362.543 3.760 20 30 FHEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(F)cc1I ZINC001218451864 941402053 /nfs/dbraw/zinc/40/20/53/941402053.db2.gz NQWJWSCXMLVEBZ-TZMCWYRMSA-N 1 0 361.198 3.506 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000181526251 941431316 /nfs/dbraw/zinc/43/13/16/941431316.db2.gz UQZBTWCOAKVRBL-HOTGVXAUSA-N 1 0 363.461 3.627 20 30 FHEDRO Cc1cnn(-c2ccc([C@@H](C)[NH2+]C[C@H](O)c3ccc(C#N)cc3)cc2F)c1 ZINC000376834102 941444162 /nfs/dbraw/zinc/44/41/62/941444162.db2.gz VRMWOEFIRXHIMR-VFNWGFHPSA-N 1 0 364.424 3.576 20 30 FHEDRO CCN(C(=O)NCC(C)(C)CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376996238 941486311 /nfs/dbraw/zinc/48/63/11/941486311.db2.gz VKPWNZKBKKIVQL-IBGZPJMESA-N 1 0 356.514 3.622 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2cnn(-c3cccc(C)c3)c2C(C)C)CC1 ZINC000377051681 941503799 /nfs/dbraw/zinc/50/37/99/941503799.db2.gz KRBYOQHVEVFTNW-UHFFFAOYSA-N 1 0 364.493 3.588 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000415007600 941538392 /nfs/dbraw/zinc/53/83/92/941538392.db2.gz LPXZASIPEVVWKB-KXBFYZLASA-N 1 0 364.449 3.990 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000415027661 941550572 /nfs/dbraw/zinc/55/05/72/941550572.db2.gz WZBQPDKUHRCDOD-UHFFFAOYSA-N 1 0 364.449 3.875 20 30 FHEDRO C=CCOCC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000312383937 941551367 /nfs/dbraw/zinc/55/13/67/941551367.db2.gz KCMWUPVYJXFDSJ-UHFFFAOYSA-N 1 0 354.166 3.640 20 30 FHEDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415031340 941553953 /nfs/dbraw/zinc/55/39/53/941553953.db2.gz DQRINKUZIDGKSL-GOSISDBHSA-N 1 0 352.438 3.845 20 30 FHEDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415031014 941554442 /nfs/dbraw/zinc/55/44/42/941554442.db2.gz DKOLKUQEBNRIDW-KRWDZBQOSA-N 1 0 352.438 3.990 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(C[NH3+])CC3)cc2)cc1 ZINC000415030655 941554744 /nfs/dbraw/zinc/55/47/44/941554744.db2.gz CVAIDORAYDAMFQ-UHFFFAOYSA-N 1 0 350.422 3.553 20 30 FHEDRO CC1(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[NH2+]CC1 ZINC000415038992 941559651 /nfs/dbraw/zinc/55/96/51/941559651.db2.gz MVTJGZSUXVVXDA-UHFFFAOYSA-N 1 0 350.422 3.614 20 30 FHEDRO CCN(C(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000549167193 941575761 /nfs/dbraw/zinc/57/57/61/941575761.db2.gz SLJUEYNCENZWBW-HOTGVXAUSA-N 1 0 353.441 3.958 20 30 FHEDRO C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000549170690 941577626 /nfs/dbraw/zinc/57/76/26/941577626.db2.gz BYUBIHUWWVNATC-UMZBGCALSA-N 1 0 366.461 3.690 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415062759 941580959 /nfs/dbraw/zinc/58/09/59/941580959.db2.gz MZDDCOAVRQULFI-NVXWUHKLSA-N 1 0 364.449 3.921 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415062763 941581111 /nfs/dbraw/zinc/58/11/11/941581111.db2.gz MZDDCOAVRQULFI-RDJZCZTQSA-N 1 0 364.449 3.921 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000415100049 941603160 /nfs/dbraw/zinc/60/31/60/941603160.db2.gz ACNRIOWXBWPZAD-ICSRJNTNSA-N 1 0 364.917 3.623 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000415100052 941603259 /nfs/dbraw/zinc/60/32/59/941603259.db2.gz ACNRIOWXBWPZAD-UYAOXDASSA-N 1 0 364.917 3.623 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[C@@H]1[NH3+] ZINC000415150550 941630329 /nfs/dbraw/zinc/63/03/29/941630329.db2.gz QIGWZCPZIOEXJB-LIRRHRJNSA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC000415143690 941631850 /nfs/dbraw/zinc/63/18/50/941631850.db2.gz BGWLEYOAVIVBBL-JXFKEZNVSA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415151798 941634962 /nfs/dbraw/zinc/63/49/62/941634962.db2.gz TUFWHNMEUFNGRE-HOCLYGCPSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415154526 941636480 /nfs/dbraw/zinc/63/64/80/941636480.db2.gz YBIWQVLXAZVKLS-LSDHHAIUSA-N 1 0 350.422 3.565 20 30 FHEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415153914 941637029 /nfs/dbraw/zinc/63/70/29/941637029.db2.gz DFQWXEANTUCFDX-GOEBONIOSA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000415150969 941639373 /nfs/dbraw/zinc/63/93/73/941639373.db2.gz RQWJASLJQZKSFW-IAGOWNOFSA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@]1(C)C[NH3+] ZINC000415156894 941641299 /nfs/dbraw/zinc/64/12/99/941641299.db2.gz HAWNZIFZIWSGIP-QVKFZJNVSA-N 1 0 364.449 3.799 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415160000 941643156 /nfs/dbraw/zinc/64/31/56/941643156.db2.gz KMYIAWIGKOLQMD-DNVCBOLYSA-N 1 0 358.511 3.688 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C[NH3+])C1 ZINC000415166187 941648193 /nfs/dbraw/zinc/64/81/93/941648193.db2.gz RCFRALYDBVNFDX-CRAIPNDOSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415167111 941648553 /nfs/dbraw/zinc/64/85/53/941648553.db2.gz SNIFKWLHYFGPDB-OAHLLOKOSA-N 1 0 358.511 3.546 20 30 FHEDRO CS[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000415173587 941649524 /nfs/dbraw/zinc/64/95/24/941649524.db2.gz RRSSMQFMLKXEQA-HXUWFJFHSA-N 1 0 367.518 3.553 20 30 FHEDRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000549217570 941660624 /nfs/dbraw/zinc/66/06/24/941660624.db2.gz MBAPQYPPEIRGGF-KRWDZBQOSA-N 1 0 360.820 3.775 20 30 FHEDRO N#Cc1ccc(NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1C(F)(F)F ZINC000415210338 941678464 /nfs/dbraw/zinc/67/84/64/941678464.db2.gz JQFFKDOOZQVFMH-KRWDZBQOSA-N 1 0 374.366 3.586 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[NH2+]1 ZINC000415235357 941690955 /nfs/dbraw/zinc/69/09/55/941690955.db2.gz CLFUORBWIPBFHE-BBRMVZONSA-N 1 0 368.412 3.752 20 30 FHEDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415238587 941692723 /nfs/dbraw/zinc/69/27/23/941692723.db2.gz LZRMGAGRPMYOLD-GOSISDBHSA-N 1 0 370.428 3.985 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC2CCC([NH3+])CC2)cc1F ZINC000415238981 941698532 /nfs/dbraw/zinc/69/85/32/941698532.db2.gz NEKIDWGJBXTAQQ-UHFFFAOYSA-N 1 0 368.412 3.881 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000729343128 941725581 /nfs/dbraw/zinc/72/55/81/941725581.db2.gz HQSIEEBBLSGDKA-OUKQBFOZSA-N 1 0 369.509 3.715 20 30 FHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458839368 941796190 /nfs/dbraw/zinc/79/61/90/941796190.db2.gz MPJCKNZJYCMISX-RLLQIKCJSA-N 1 0 354.498 3.690 20 30 FHEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549266278 941797393 /nfs/dbraw/zinc/79/73/93/941797393.db2.gz NOKSYCBKLZTJIZ-GOSISDBHSA-N 1 0 369.513 3.796 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCC[C@H]3c3ccccc3)C2=O)cc1 ZINC000513262442 941815571 /nfs/dbraw/zinc/81/55/71/941815571.db2.gz SPJIQIXQKSMYGQ-BHDDXSALSA-N 1 0 359.473 3.980 20 30 FHEDRO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(F)(C#N)CC2)[NH+](C)C)cc1 ZINC000513390956 941886879 /nfs/dbraw/zinc/88/68/79/941886879.db2.gz UWUBBBXINBQXRK-IBGZPJMESA-N 1 0 374.504 3.525 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[NH2+]1 ZINC000415540979 941887228 /nfs/dbraw/zinc/88/72/28/941887228.db2.gz ZQTHPVPRZTXUCF-RHSMWYFYSA-N 1 0 350.422 3.613 20 30 FHEDRO CCc1ccc([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)cc1 ZINC000513395930 941890292 /nfs/dbraw/zinc/89/02/92/941890292.db2.gz BRGPUSXMCSRKMR-JOCHJYFZSA-N 1 0 361.489 3.616 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000433819272 941917509 /nfs/dbraw/zinc/91/75/09/941917509.db2.gz IWRISVGIAFATER-FQEVSTJZSA-N 1 0 355.526 3.862 20 30 FHEDRO N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCCc4nccn43)c2)c1 ZINC000377727562 941945629 /nfs/dbraw/zinc/94/56/29/941945629.db2.gz RUJJMQQESCRFGO-HXUWFJFHSA-N 1 0 372.428 3.850 20 30 FHEDRO N#C[C@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@]12c1ccccc1NC2=O ZINC000513589618 942030377 /nfs/dbraw/zinc/03/03/77/942030377.db2.gz YTVIOLJSYRNDLN-MBSDFSHPSA-N 1 0 353.425 3.685 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000377852829 942035619 /nfs/dbraw/zinc/03/56/19/942035619.db2.gz UKVRUTYHJCJAGR-VGSWGCGISA-N 1 0 368.452 3.544 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000377852827 942035813 /nfs/dbraw/zinc/03/58/13/942035813.db2.gz UKVRUTYHJCJAGR-JTSKRJEESA-N 1 0 368.452 3.544 20 30 FHEDRO COc1ccccc1[C@@H](CNc1ncc(C#N)cc1Cl)[NH+]1CCCC1 ZINC000513619628 942042272 /nfs/dbraw/zinc/04/22/72/942042272.db2.gz NSVOOAGQTQAFNR-QGZVFWFLSA-N 1 0 356.857 3.864 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000415798528 942055176 /nfs/dbraw/zinc/05/51/76/942055176.db2.gz AUYSLRRSRJBWJO-HNNXBMFYSA-N 1 0 352.463 3.664 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415811798 942064163 /nfs/dbraw/zinc/06/41/63/942064163.db2.gz XVYTYGOBFSSAEQ-ZBFHGGJFSA-N 1 0 366.490 3.910 20 30 FHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460771281 942077813 /nfs/dbraw/zinc/07/78/13/942077813.db2.gz OGWODIWFCALCQJ-SJLPKXTDSA-N 1 0 371.554 3.570 20 30 FHEDRO CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000047740185 942170105 /nfs/dbraw/zinc/17/01/05/942170105.db2.gz ZODVWFFBEAXDOW-UHFFFAOYSA-N 1 0 360.461 3.717 20 30 FHEDRO C[S@@](=O)C1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCC1 ZINC000280523609 942197017 /nfs/dbraw/zinc/19/70/17/942197017.db2.gz BGZLXGSCKCQSIE-AREMUKBSSA-N 1 0 368.502 3.528 20 30 FHEDRO CCCc1ccc(C(=O)C(C(=S)NC2CC2)[n+]2cccc(C)c2)cc1 ZINC000280573885 942209727 /nfs/dbraw/zinc/20/97/27/942209727.db2.gz LYFGZUIJRGGPKD-UHFFFAOYSA-O 1 0 353.511 3.926 20 30 FHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000128391673 942213452 /nfs/dbraw/zinc/21/34/52/942213452.db2.gz JMGYRTVXOCCDBY-MRXNPFEDSA-N 1 0 364.470 3.836 20 30 FHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183173915 942213941 /nfs/dbraw/zinc/21/39/41/942213941.db2.gz DIOMAERUGBRUPZ-UHFFFAOYSA-N 1 0 364.371 3.619 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC(C)(C)CCC#N)C1CC1 ZINC000502104331 942228208 /nfs/dbraw/zinc/22/82/08/942228208.db2.gz ISPYXPOHJFTZRQ-IBGZPJMESA-N 1 0 356.514 3.526 20 30 FHEDRO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000431857268 942252260 /nfs/dbraw/zinc/25/22/60/942252260.db2.gz YFOIBESOKZVRJJ-LJQANCHMSA-N 1 0 356.514 3.984 20 30 FHEDRO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000420923843 942256454 /nfs/dbraw/zinc/25/64/54/942256454.db2.gz IOSRVIMZWLSVIT-IRXDYDNUSA-N 1 0 350.503 3.529 20 30 FHEDRO N#CC1(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000419457018 942261734 /nfs/dbraw/zinc/26/17/34/942261734.db2.gz VARYLBDUGJZTRO-UHFFFAOYSA-N 1 0 374.916 3.545 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000501047813 942274129 /nfs/dbraw/zinc/27/41/29/942274129.db2.gz TWJGZUWBULACCN-HXUWFJFHSA-N 1 0 356.514 3.744 20 30 FHEDRO COc1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1OCC(C)C ZINC000237146461 942279087 /nfs/dbraw/zinc/27/90/87/942279087.db2.gz RTTPYQZOSOAGKR-UHFFFAOYSA-N 1 0 354.450 3.770 20 30 FHEDRO N#CCCN(C(=O)C[NH2+][C@@H](CC(F)F)c1ccccc1)c1ccccc1 ZINC000420987318 942283214 /nfs/dbraw/zinc/28/32/14/942283214.db2.gz OSDZNUIGJLXVKD-SFHVURJKSA-N 1 0 357.404 3.919 20 30 FHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000501211290 942353842 /nfs/dbraw/zinc/35/38/42/942353842.db2.gz SIOOYBBJZJJOPC-NRFANRHFSA-N 1 0 350.462 3.791 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000501215284 942354957 /nfs/dbraw/zinc/35/49/57/942354957.db2.gz CFTNMQFMUXAOEG-HXUWFJFHSA-N 1 0 350.466 3.633 20 30 FHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)cc1OC ZINC000501239959 942356458 /nfs/dbraw/zinc/35/64/58/942356458.db2.gz MIMDBSXOZDTOOF-UHFFFAOYSA-N 1 0 374.525 3.844 20 30 FHEDRO C=CCN1CC[C@H]([N@H+](C)C/C(C)=C/c2ccccc2C(F)(F)F)C1=O ZINC000502357305 942377205 /nfs/dbraw/zinc/37/72/05/942377205.db2.gz WUKGSAISGZZVPU-VSOYFRJCSA-N 1 0 352.400 3.827 20 30 FHEDRO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000424852866 942405160 /nfs/dbraw/zinc/40/51/60/942405160.db2.gz UMCHIEUJJTZRFZ-FQEVSTJZSA-N 1 0 370.537 3.634 20 30 FHEDRO C=CCN(Cc1ccccc1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000502469166 942467464 /nfs/dbraw/zinc/46/74/64/942467464.db2.gz ROHHFKKJEJTVEE-FXAWDEMLSA-N 1 0 350.462 3.703 20 30 FHEDRO COc1ccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1OCCCC#N ZINC000378269634 942494963 /nfs/dbraw/zinc/49/49/63/942494963.db2.gz ICGZLFHKJSHJQP-FQEVSTJZSA-N 1 0 365.477 3.654 20 30 FHEDRO N#CC[C@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000425013526 942500277 /nfs/dbraw/zinc/50/02/77/942500277.db2.gz RAEGKVGBZRQNEW-XPWALMASSA-N 1 0 373.500 3.807 20 30 FHEDRO C=CCc1ccc(OCC(=O)NCC2([NH+](C)C)CCCCCC2)c(OC)c1 ZINC000024583482 942502362 /nfs/dbraw/zinc/50/23/62/942502362.db2.gz AFSJKMKBUOWFCB-UHFFFAOYSA-N 1 0 374.525 3.573 20 30 FHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(C#N)c(F)c1 ZINC000421356831 942505703 /nfs/dbraw/zinc/50/57/03/942505703.db2.gz MCVZHKDIAXQPLH-HXUWFJFHSA-N 1 0 352.457 3.579 20 30 FHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C)c1C#N ZINC000501500154 942511037 /nfs/dbraw/zinc/51/10/37/942511037.db2.gz DFPRTLDVRTZVKX-DJJJIMSYSA-N 1 0 368.456 3.822 20 30 FHEDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000421359655 942511428 /nfs/dbraw/zinc/51/14/28/942511428.db2.gz GOFUBUPJLSBVHW-PKOBYXMFSA-N 1 0 350.462 3.588 20 30 FHEDRO N#Cc1ccccc1OCC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502536297 942512902 /nfs/dbraw/zinc/51/29/02/942512902.db2.gz UPSUSSPIIGJNPJ-HXUWFJFHSA-N 1 0 356.853 3.582 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])ccc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000366537774 942541540 /nfs/dbraw/zinc/54/15/40/942541540.db2.gz MNNVVXHZXDZRDB-UHFFFAOYSA-N 1 0 368.359 3.684 20 30 FHEDRO CCCCCCCCCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000378309770 942566587 /nfs/dbraw/zinc/56/65/87/942566587.db2.gz BRMXIUCUJZNEPZ-UXHICEINSA-N 1 0 351.579 3.612 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccc(OCC#N)cc1 ZINC000181557232 942568613 /nfs/dbraw/zinc/56/86/13/942568613.db2.gz VJEKRSKMZOPUPP-KRWDZBQOSA-N 1 0 363.461 3.957 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000416304068 942622070 /nfs/dbraw/zinc/62/20/70/942622070.db2.gz SWPDTHLOMMXKKZ-UHFFFAOYSA-N 1 0 351.475 3.533 20 30 FHEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C#N)c(C#N)c2C)cc1)C1CC1 ZINC000421563562 942648678 /nfs/dbraw/zinc/64/86/78/942648678.db2.gz XMMAZBSKRYEZIE-UHFFFAOYSA-N 1 0 358.445 3.975 20 30 FHEDRO C=C[C@@H](CC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1)c1ccccc1 ZINC000416331779 942671307 /nfs/dbraw/zinc/67/13/07/942671307.db2.gz DLIDNSMMAVFJPV-KRWDZBQOSA-N 1 0 368.477 3.934 20 30 FHEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000545960907 942708000 /nfs/dbraw/zinc/70/80/00/942708000.db2.gz USHBLNXZISYPKN-WCQYABFASA-N 1 0 357.294 3.585 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]CCCN3CCc4ccccc4C3)CC2)cc1 ZINC000514081898 942733154 /nfs/dbraw/zinc/73/31/54/942733154.db2.gz DQQNSGRGGOSWBL-UHFFFAOYSA-N 1 0 374.532 3.565 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421686074 942742191 /nfs/dbraw/zinc/74/21/91/942742191.db2.gz YMONCPARAZLZRK-UHFFFAOYSA-N 1 0 370.415 3.873 20 30 FHEDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)N2CCCC2)o1 ZINC000378449445 942782953 /nfs/dbraw/zinc/78/29/53/942782953.db2.gz GEYOUSCOVZLMPR-MDMHHNQBSA-N 1 0 357.498 3.554 20 30 FHEDRO CC(C)C[C@@H](C)OCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378481064 942809925 /nfs/dbraw/zinc/80/99/25/942809925.db2.gz ICXALADQDDGNPM-LJQANCHMSA-N 1 0 371.525 3.502 20 30 FHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1Cl ZINC000414552940 942828673 /nfs/dbraw/zinc/82/86/73/942828673.db2.gz QXVSKCPTADLTIR-KRWDZBQOSA-N 1 0 362.901 3.882 20 30 FHEDRO CCCCCCCCCCC(=O)N1CC2(C1)CCN(COCCOC)C2 ZINC001269832285 942841404 /nfs/dbraw/zinc/84/14/04/942841404.db2.gz MACJQSGJZOGBTP-UHFFFAOYSA-N 1 0 368.562 3.672 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000434659571 942843486 /nfs/dbraw/zinc/84/34/86/942843486.db2.gz ROJIVPKKQSEODF-HXUWFJFHSA-N 1 0 351.425 3.733 20 30 FHEDRO C[N@H+](CCCCc1ccccc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434660598 942844768 /nfs/dbraw/zinc/84/47/68/942844768.db2.gz AIJSHWHSAWQTQX-GOSISDBHSA-N 1 0 353.491 3.680 20 30 FHEDRO C[NH+]=C(NCc1oc2ccc(F)cc2c1C)N1CCC(OCC2CC2)CC1 ZINC000261849415 942849191 /nfs/dbraw/zinc/84/91/91/942849191.db2.gz XUERYNJTOXVPAB-UHFFFAOYSA-N 1 0 373.472 3.847 20 30 FHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434712832 942875631 /nfs/dbraw/zinc/87/56/31/942875631.db2.gz DSRMJAOVEPCZPE-OAHLLOKOSA-N 1 0 363.502 3.678 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(C#N)c1 ZINC000378549989 942881090 /nfs/dbraw/zinc/88/10/90/942881090.db2.gz LOIGGPVJRDGZPJ-KUHUBIRLSA-N 1 0 361.424 3.621 20 30 FHEDRO CC(C)(C)OC(=O)NCCc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000312210796 942914288 /nfs/dbraw/zinc/91/42/88/942914288.db2.gz VGVHQXHVAGQFHL-UHFFFAOYSA-N 1 0 365.477 3.915 20 30 FHEDRO Cc1ccnc(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000363876443 942919332 /nfs/dbraw/zinc/91/93/32/942919332.db2.gz QIRWBBYZTBXNPH-UHFFFAOYSA-N 1 0 350.466 3.847 20 30 FHEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000509961948 942920439 /nfs/dbraw/zinc/92/04/39/942920439.db2.gz ARYZRJUXVPVZAB-NRFANRHFSA-N 1 0 364.489 3.575 20 30 FHEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)C1 ZINC000503035291 942930277 /nfs/dbraw/zinc/93/02/77/942930277.db2.gz RZVGJLDNJBUVCR-GXSJLCMTSA-N 1 0 360.626 3.726 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000473002673 942970336 /nfs/dbraw/zinc/97/03/36/942970336.db2.gz QSBOZEWROCQSLC-ICSRJNTNSA-N 1 0 355.526 3.690 20 30 FHEDRO C=CCN(CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000434835014 942991747 /nfs/dbraw/zinc/99/17/47/942991747.db2.gz XVZFEUWYKHYEAG-UHFFFAOYSA-N 1 0 353.422 3.572 20 30 FHEDRO C[C@H]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000434848284 943004285 /nfs/dbraw/zinc/00/42/85/943004285.db2.gz JDQPXRQQNWMQAI-IBGZPJMESA-N 1 0 373.500 3.713 20 30 FHEDRO COC(=O)[C@H](NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(C#N)c1 ZINC000434881207 943026658 /nfs/dbraw/zinc/02/66/58/943026658.db2.gz SVWFTQHWPIIKIU-HXUWFJFHSA-N 1 0 369.509 3.551 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000434904017 943041387 /nfs/dbraw/zinc/04/13/87/943041387.db2.gz MAYMYUBMTCAPRY-FQEVSTJZSA-N 1 0 368.864 3.741 20 30 FHEDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C2CC2)cc1 ZINC000505570562 943049094 /nfs/dbraw/zinc/04/90/94/943049094.db2.gz MEZRHESEUFWAOH-INIZCTEOSA-N 1 0 363.461 3.806 20 30 FHEDRO CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000416700371 943050253 /nfs/dbraw/zinc/05/02/53/943050253.db2.gz ZASOIYZQLNESEU-OAQYLSRUSA-N 1 0 368.525 3.747 20 30 FHEDRO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2OC)CC2CC2)c(OC)c1 ZINC000503215531 943055197 /nfs/dbraw/zinc/05/51/97/943055197.db2.gz JOEPJUIKHHVNNW-UHFFFAOYSA-N 1 0 366.461 3.996 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000272054536 943088744 /nfs/dbraw/zinc/08/87/44/943088744.db2.gz YMFMVPONRUREHA-AVRDEDQJSA-N 1 0 373.500 3.882 20 30 FHEDRO C[NH+]1CCC(CCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000503261799 943090856 /nfs/dbraw/zinc/09/08/56/943090856.db2.gz UYRNLYJZKPQLCC-UHFFFAOYSA-N 1 0 361.489 3.940 20 30 FHEDRO C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505591073 943106067 /nfs/dbraw/zinc/10/60/67/943106067.db2.gz LBRCGTLXTQEZEN-BTYIYWSLSA-N 1 0 374.444 3.634 20 30 FHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)N2CCC(CCC#N)CC2)CCC1 ZINC000514598459 943137771 /nfs/dbraw/zinc/13/77/71/943137771.db2.gz AXSXABSETRFBDN-UHFFFAOYSA-N 1 0 368.525 3.766 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnccc1C(F)(F)F)C(C)C ZINC000514614478 943149709 /nfs/dbraw/zinc/14/97/09/943149709.db2.gz VGIRNPKDHKGAHK-MRXNPFEDSA-N 1 0 355.404 3.529 20 30 FHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C(=O)OC)c(C(C)C)[nH]2)c1 ZINC000894272738 943159129 /nfs/dbraw/zinc/15/91/29/943159129.db2.gz FAWGBVJJVWUQIX-QGZVFWFLSA-N 1 0 369.465 3.895 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(CNc2snc(C)c2C#N)cc1OC ZINC000514627814 943161222 /nfs/dbraw/zinc/16/12/22/943161222.db2.gz UHKFYCLJOVPJKD-UHFFFAOYSA-N 1 0 374.510 3.665 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000503413026 943170787 /nfs/dbraw/zinc/17/07/87/943170787.db2.gz RALGKNKCMSENLX-FXAWDEMLSA-N 1 0 354.498 3.617 20 30 FHEDRO C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000458846621 943221906 /nfs/dbraw/zinc/22/19/06/943221906.db2.gz RCJUGQXTBOARAB-FXAWDEMLSA-N 1 0 354.498 3.547 20 30 FHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(N3CCOC3=O)cc2)c1 ZINC000272867173 943235305 /nfs/dbraw/zinc/23/53/05/943235305.db2.gz UONYRSBRYZTFLL-UHFFFAOYSA-N 1 0 352.438 3.693 20 30 FHEDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000366624818 943245450 /nfs/dbraw/zinc/24/54/50/943245450.db2.gz ABCGEIDOKIHDTO-FXAWDEMLSA-N 1 0 354.498 3.690 20 30 FHEDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001167740385 943261979 /nfs/dbraw/zinc/26/19/79/943261979.db2.gz KZEYZPUFUSLSKS-CVEARBPZSA-N 1 0 354.454 3.755 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000435263193 943288874 /nfs/dbraw/zinc/28/88/74/943288874.db2.gz OUZCFIRQHABINU-AVRDEDQJSA-N 1 0 373.500 3.759 20 30 FHEDRO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000503765061 943362819 /nfs/dbraw/zinc/36/28/19/943362819.db2.gz MIOVRJUNJYGIJF-LEWJYISDSA-N 1 0 370.541 3.846 20 30 FHEDRO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425366051 943376271 /nfs/dbraw/zinc/37/62/71/943376271.db2.gz OHHFDLNGKZAGCA-HZPDHXFCSA-N 1 0 352.434 3.692 20 30 FHEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)C1 ZINC000514908452 943379032 /nfs/dbraw/zinc/37/90/32/943379032.db2.gz BESBZNUCIJXUOJ-WIYYLYMNSA-N 1 0 357.461 3.775 20 30 FHEDRO CC(C)[N@@H+]1CCc2nc(CN(C)[C@H](C)c3cccc(C#N)c3)sc2C1 ZINC000425368691 943380158 /nfs/dbraw/zinc/38/01/58/943380158.db2.gz XNACQHGAOZTJDA-OAHLLOKOSA-N 1 0 354.523 3.974 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NCCF ZINC000503921459 943409210 /nfs/dbraw/zinc/40/92/10/943409210.db2.gz VQWNUNLCRUXJQC-DTWKUNHWSA-N 1 0 374.300 3.849 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613733008 943412846 /nfs/dbraw/zinc/41/28/46/943412846.db2.gz JQDMQYXEQXNYJR-PKOBYXMFSA-N 1 0 351.494 3.936 20 30 FHEDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(OCCCC#N)c1 ZINC000514972096 943425891 /nfs/dbraw/zinc/42/58/91/943425891.db2.gz FZPUEFXRIRFXHU-UHFFFAOYSA-N 1 0 353.422 3.952 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOC1CCCC1 ZINC000431933105 943471000 /nfs/dbraw/zinc/47/10/00/943471000.db2.gz BZYKKQNBSRIREN-UHFFFAOYSA-N 1 0 364.559 3.544 20 30 FHEDRO N#CCCCn1cc(C(=O)NCC[NH+]2CCCCCC2)c2ccccc21 ZINC000435562133 943486470 /nfs/dbraw/zinc/48/64/70/943486470.db2.gz BWTWBLKUGUKYMM-UHFFFAOYSA-N 1 0 352.482 3.551 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1C#N ZINC000435556577 943497240 /nfs/dbraw/zinc/49/72/40/943497240.db2.gz DIIDUSZZMOHYKX-KRWDZBQOSA-N 1 0 372.494 3.831 20 30 FHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000515141831 943521647 /nfs/dbraw/zinc/52/16/47/943521647.db2.gz ZQGKDCVIEQEUDX-NHCUHLMSSA-N 1 0 360.461 3.636 20 30 FHEDRO C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000423481466 943528175 /nfs/dbraw/zinc/52/81/75/943528175.db2.gz WRMQIOHIBQUQKY-GZRFBZBPSA-N 1 0 355.432 3.880 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000664498063 943570899 /nfs/dbraw/zinc/57/08/99/943570899.db2.gz ULVGNLZOJIIABP-LEWJYISDSA-N 1 0 371.525 3.590 20 30 FHEDRO C=C(C(=O)N1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1)C(F)(F)F ZINC001270007813 943583215 /nfs/dbraw/zinc/58/32/15/943583215.db2.gz FEMWBOMDPDUOKY-UHFFFAOYSA-N 1 0 372.353 3.762 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000435738600 943589836 /nfs/dbraw/zinc/58/98/36/943589836.db2.gz BHMAAQRKALTQBI-QRWLVFNGSA-N 1 0 361.436 3.838 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000435738599 943589985 /nfs/dbraw/zinc/58/99/85/943589985.db2.gz BHMAAQRKALTQBI-MGPUTAFESA-N 1 0 361.436 3.838 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)cc1OCc1cccnc1 ZINC000435740002 943590618 /nfs/dbraw/zinc/59/06/18/943590618.db2.gz ICOMOUNDFQKXHU-SIKLNZKXSA-N 1 0 368.477 3.740 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000435740503 943591438 /nfs/dbraw/zinc/59/14/38/943591438.db2.gz KPZFBTXDUGVHPD-PBHICJAKSA-N 1 0 359.388 3.707 20 30 FHEDRO C=C(C(=O)N1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1)C(F)(F)F ZINC001270008107 943596734 /nfs/dbraw/zinc/59/67/34/943596734.db2.gz KXJFYGSZUYOKQF-AWEZNQCLSA-N 1 0 372.353 3.762 20 30 FHEDRO N#Cc1c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cn2ccccc12 ZINC000511628987 943619768 /nfs/dbraw/zinc/61/97/68/943619768.db2.gz ZLUARLIMQRDJMR-XPNTWCBSSA-N 1 0 357.457 3.815 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000424069580 943708710 /nfs/dbraw/zinc/70/87/10/943708710.db2.gz PZYUZMJDNADLNU-RHSMWYFYSA-N 1 0 356.495 3.625 20 30 FHEDRO CCCOc1ccc(-c2csc(NC(=O)[C@H]([NH3+])CCCC#N)n2)cc1 ZINC000424073415 943709123 /nfs/dbraw/zinc/70/91/23/943709123.db2.gz FNEADQNULIREHE-OAHLLOKOSA-N 1 0 358.467 3.559 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000424080669 943714150 /nfs/dbraw/zinc/71/41/50/943714150.db2.gz TUMKVQAGKNFAKO-INIZCTEOSA-N 1 0 354.479 3.649 20 30 FHEDRO C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424087261 943722998 /nfs/dbraw/zinc/72/29/98/943722998.db2.gz DIOUMXNFYYQHRN-LRDDRELGSA-N 1 0 353.388 3.779 20 30 FHEDRO C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424087257 943723094 /nfs/dbraw/zinc/72/30/94/943723094.db2.gz DIOUMXNFYYQHRN-BLLLJJGKSA-N 1 0 353.388 3.779 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000424087721 943724707 /nfs/dbraw/zinc/72/47/07/943724707.db2.gz FKJLRGFMRPRXMV-QZTJIDSGSA-N 1 0 359.832 3.706 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000424113223 943737668 /nfs/dbraw/zinc/73/76/68/943737668.db2.gz MNJPUPHLXSBBSN-MOPGFXCFSA-N 1 0 361.917 3.969 20 30 FHEDRO COCCc1ccc(Oc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424140323 943748855 /nfs/dbraw/zinc/74/88/55/943748855.db2.gz OAVUCGZPXBWDGT-FQEVSTJZSA-N 1 0 367.449 3.627 20 30 FHEDRO COc1ccc2c(c1)CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C1CCCCC1)C2 ZINC000424134475 943759560 /nfs/dbraw/zinc/75/95/60/943759560.db2.gz KOISNXAFNCPDQS-NHCUHLMSSA-N 1 0 369.509 3.550 20 30 FHEDRO COc1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C1CCCCC1)C2 ZINC000424134187 943760376 /nfs/dbraw/zinc/76/03/76/943760376.db2.gz KOISNXAFNCPDQS-LEWJYISDSA-N 1 0 369.509 3.550 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000424177618 943761245 /nfs/dbraw/zinc/76/12/45/943761245.db2.gz UTXRRWFTJBLKKR-PMACEKPBSA-N 1 0 353.462 3.955 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000424183897 943764884 /nfs/dbraw/zinc/76/48/84/943764884.db2.gz CVKPDUBLEIVITC-AWEZNQCLSA-N 1 0 373.806 3.528 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1NCc1ccc(Cl)cc1 ZINC000424169118 943772740 /nfs/dbraw/zinc/77/27/40/943772740.db2.gz JFHPLGIVFDATMR-MRXNPFEDSA-N 1 0 356.857 3.912 20 30 FHEDRO C=CCCn1cc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)nn1 ZINC000424226964 943794182 /nfs/dbraw/zinc/79/41/82/943794182.db2.gz YMTNYANYYFPJRW-UHFFFAOYSA-N 1 0 364.453 3.557 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)c(F)c2C)CC1 ZINC000473560903 943806830 /nfs/dbraw/zinc/80/68/30/943806830.db2.gz KLNXZANFNFXURI-UHFFFAOYSA-N 1 0 358.379 3.923 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)CC2 ZINC000516896143 943812573 /nfs/dbraw/zinc/81/25/73/943812573.db2.gz CBCAVVWAOMJIEM-RBBKRZOGSA-N 1 0 363.530 3.753 20 30 FHEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000424289877 943821356 /nfs/dbraw/zinc/82/13/56/943821356.db2.gz AMSUIVPCBDMREV-GDBMZVCRSA-N 1 0 350.388 3.909 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000424294899 943824116 /nfs/dbraw/zinc/82/41/16/943824116.db2.gz LSLLNNQJGFNLQM-RCBQFDQVSA-N 1 0 352.272 3.844 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000424293827 943824268 /nfs/dbraw/zinc/82/42/68/943824268.db2.gz JOYCIBPGXCMTEE-RCBQFDQVSA-N 1 0 352.272 3.844 20 30 FHEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)nn1 ZINC000424295885 943825109 /nfs/dbraw/zinc/82/51/09/943825109.db2.gz NRDINLTUQPLGME-DLBZAZTESA-N 1 0 350.388 3.909 20 30 FHEDRO N#Cc1ccccc1OC1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000515415119 943858753 /nfs/dbraw/zinc/85/87/53/943858753.db2.gz PSKFLCMWJCSSNV-ORFBVSJDSA-N 1 0 364.489 3.832 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCS[C@H]3CCCC[C@@H]32)c1C ZINC000437534730 943896721 /nfs/dbraw/zinc/89/67/21/943896721.db2.gz IYYDVRHZDAPNFN-PMACEKPBSA-N 1 0 371.550 3.910 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H](C)C2)c1C#N ZINC000123032165 943900560 /nfs/dbraw/zinc/90/05/60/943900560.db2.gz JLWBNDMAVBGXAF-OAHLLOKOSA-N 1 0 368.481 3.678 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000437572487 943928113 /nfs/dbraw/zinc/92/81/13/943928113.db2.gz VZHNNQTYGWCMKW-JOCHJYFZSA-N 1 0 358.526 3.764 20 30 FHEDRO Cc1ccc2cc(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)ccc2n1 ZINC000437594956 943936484 /nfs/dbraw/zinc/93/64/84/943936484.db2.gz ROTGXMFKSHXWBV-UHFFFAOYSA-N 1 0 360.436 3.876 20 30 FHEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000417910227 943946407 /nfs/dbraw/zinc/94/64/07/943946407.db2.gz FKAAOQNRQYRWOK-WOJBJXKFSA-N 1 0 350.466 3.593 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000417943073 943986195 /nfs/dbraw/zinc/98/61/95/943986195.db2.gz UHVUCWAITDNADQ-VBNZEHGJSA-N 1 0 355.404 3.844 20 30 FHEDRO C=CCC1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)CCOCC1 ZINC000424571223 943988808 /nfs/dbraw/zinc/98/88/08/943988808.db2.gz WTRVPLHXQHURIU-FQEVSTJZSA-N 1 0 374.525 3.567 20 30 FHEDRO C=CCC1(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCOCC1 ZINC000424579800 943995952 /nfs/dbraw/zinc/99/59/52/943995952.db2.gz BWTROYWBAOSDGT-IBGZPJMESA-N 1 0 370.537 3.908 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C#N)oc1C)c1ccccc1Cl ZINC000436092632 944025176 /nfs/dbraw/zinc/02/51/76/944025176.db2.gz XGRLPANKAOCJLW-GOSISDBHSA-N 1 0 359.857 3.926 20 30 FHEDRO CC(C)(C)c1ncc(CN2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000506098840 944028459 /nfs/dbraw/zinc/02/84/59/944028459.db2.gz KEYDULWABLVQPM-UHFFFAOYSA-N 1 0 354.523 3.630 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000436121532 944034371 /nfs/dbraw/zinc/03/43/71/944034371.db2.gz ATULQLKUNPRVID-HNNXBMFYSA-N 1 0 351.450 3.622 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000436119719 944034590 /nfs/dbraw/zinc/03/45/90/944034590.db2.gz DSQIZTVAAOXMLS-HXUWFJFHSA-N 1 0 351.450 3.663 20 30 FHEDRO C=CCC1(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CCOCC1 ZINC000424671984 944055450 /nfs/dbraw/zinc/05/54/50/944055450.db2.gz HWKNRKAHQKGKHQ-GOSISDBHSA-N 1 0 356.510 3.701 20 30 FHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000436145826 944055516 /nfs/dbraw/zinc/05/55/16/944055516.db2.gz JQVIMALWRPXTFH-FGTMMUONSA-N 1 0 369.509 3.701 20 30 FHEDRO Cc1cc(C)c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000601412057 944066058 /nfs/dbraw/zinc/06/60/58/944066058.db2.gz FHULIKXANPVGHA-UHFFFAOYSA-N 1 0 353.491 3.653 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)c(F)c1 ZINC000418023518 944069606 /nfs/dbraw/zinc/06/96/06/944069606.db2.gz CCDPXPIUJBJLIC-QFBILLFUSA-N 1 0 363.452 3.613 20 30 FHEDRO C=CCC1(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424705359 944080045 /nfs/dbraw/zinc/08/00/45/944080045.db2.gz YGVWKRMHGQYFJP-OAQYLSRUSA-N 1 0 370.537 3.730 20 30 FHEDRO C=CCC1(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424705358 944080396 /nfs/dbraw/zinc/08/03/96/944080396.db2.gz YGVWKRMHGQYFJP-NRFANRHFSA-N 1 0 370.537 3.730 20 30 FHEDRO C=C(C)[C@H](NC(=O)N(CC[NH3+])Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000418028450 944081295 /nfs/dbraw/zinc/08/12/95/944081295.db2.gz KDQLJSWCEIZZBC-IBGZPJMESA-N 1 0 359.420 3.753 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H](C[NH3+])C2)cc1Cl ZINC000414913082 944083622 /nfs/dbraw/zinc/08/36/22/944083622.db2.gz VSAONMBKWZAFKN-RDTXWAMCSA-N 1 0 368.868 3.808 20 30 FHEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2I)C1 ZINC000418076444 944125400 /nfs/dbraw/zinc/12/54/00/944125400.db2.gz JFSQWQNCVYNFGW-GWCFXTLKSA-N 1 0 358.198 3.602 20 30 FHEDRO Cc1nc(COc2ccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cc2)no1 ZINC000418136219 944190331 /nfs/dbraw/zinc/19/03/31/944190331.db2.gz AHUPIMJWMJZPCU-NRFANRHFSA-N 1 0 374.444 3.996 20 30 FHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000515769825 944194472 /nfs/dbraw/zinc/19/44/72/944194472.db2.gz KAJLOYJEOCKJMF-QGZVFWFLSA-N 1 0 356.857 3.506 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000436314800 944194735 /nfs/dbraw/zinc/19/47/35/944194735.db2.gz ZGICOBQVVQILMV-YRNRMSPPSA-N 1 0 364.917 3.648 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc2c1OCCO2 ZINC000418148854 944211233 /nfs/dbraw/zinc/21/12/33/944211233.db2.gz UEYWRTZPCHBONH-SFHVURJKSA-N 1 0 350.418 3.505 20 30 FHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CCc1cccc(F)c1 ZINC000500210237 944269475 /nfs/dbraw/zinc/26/94/75/944269475.db2.gz DSDKQMGDYFSWPM-UHFFFAOYSA-N 1 0 353.441 3.981 20 30 FHEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000418213912 944275567 /nfs/dbraw/zinc/27/55/67/944275567.db2.gz LFJPSWIYTHWMEJ-VQTJNVASSA-N 1 0 368.525 3.841 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](CC)OC)cc1OC ZINC000515858341 944280868 /nfs/dbraw/zinc/28/08/68/944280868.db2.gz PEPGEUCNAGQVCA-CYBMUJFWSA-N 1 0 358.276 3.537 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000436414831 944285767 /nfs/dbraw/zinc/28/57/67/944285767.db2.gz RIOVPCLKBPAAFT-UHFFFAOYSA-N 1 0 351.425 3.733 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000140035901 944313327 /nfs/dbraw/zinc/31/33/27/944313327.db2.gz FGFANMFIRIAYCK-QGZVFWFLSA-N 1 0 370.518 3.955 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000438073006 944315356 /nfs/dbraw/zinc/31/53/56/944315356.db2.gz NJDLCLRVZJPUGD-UXHICEINSA-N 1 0 365.562 3.511 20 30 FHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1C#N ZINC000092696075 944318768 /nfs/dbraw/zinc/31/87/68/944318768.db2.gz HSQWXDPTNRTPGA-UHFFFAOYSA-N 1 0 365.437 3.604 20 30 FHEDRO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000515922046 944330268 /nfs/dbraw/zinc/33/02/68/944330268.db2.gz OUDQGYSIUVGNBG-UHFFFAOYSA-N 1 0 371.504 3.889 20 30 FHEDRO Cc1ccc(C[C@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000500254643 944337317 /nfs/dbraw/zinc/33/73/17/944337317.db2.gz RTUDZYCTCRZETJ-HXUWFJFHSA-N 1 0 353.510 3.687 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000469500639 944379810 /nfs/dbraw/zinc/37/98/10/944379810.db2.gz ZBXTYRDVQHGNOW-SFHVURJKSA-N 1 0 366.509 3.749 20 30 FHEDRO Cc1ccc(SC[C@H](C)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000517558320 944389795 /nfs/dbraw/zinc/38/97/95/944389795.db2.gz OQOYANFKVMPARY-HKUYNNGSSA-N 1 0 370.518 3.571 20 30 FHEDRO N#Cc1ccc(NCC2([NH+]3CCCC3)CCOCC2)cc1C(F)(F)F ZINC000517577368 944401618 /nfs/dbraw/zinc/40/16/18/944401618.db2.gz UDRQWVOAERPGJN-UHFFFAOYSA-N 1 0 353.388 3.634 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000517594376 944410732 /nfs/dbraw/zinc/41/07/32/944410732.db2.gz YHTYVGOUJHCITR-SFHVURJKSA-N 1 0 373.541 3.903 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000311267500 944477464 /nfs/dbraw/zinc/47/74/64/944477464.db2.gz BPGCDRMILZTQMY-GDBMZVCRSA-N 1 0 361.461 3.823 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(Cl)s1 ZINC000047011699 944518257 /nfs/dbraw/zinc/51/82/57/944518257.db2.gz FZMYUTBFLPOMSU-CSKARUKUSA-N 1 0 373.909 3.877 20 30 FHEDRO CC(C)C[C@H](CNC(=O)Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000517714871 944530360 /nfs/dbraw/zinc/53/03/60/944530360.db2.gz PQUMHMPIMJLHPG-PGRDOPGGSA-N 1 0 363.505 3.982 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCc4cc(Cl)ccc43)C2=O)cc1 ZINC000506217571 944552453 /nfs/dbraw/zinc/55/24/53/944552453.db2.gz JKVYSMBURWXTGC-WOJBJXKFSA-N 1 0 365.864 3.984 20 30 FHEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000517747550 944573717 /nfs/dbraw/zinc/57/37/17/944573717.db2.gz XGALPUIWFXPIDW-LJQANCHMSA-N 1 0 351.406 3.984 20 30 FHEDRO C=C[C@H]1CCCCN1C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000426016095 944622604 /nfs/dbraw/zinc/62/26/04/944622604.db2.gz HSSAHQAMGRATBC-IZZBFERCSA-N 1 0 355.526 3.893 20 30 FHEDRO CCCc1csc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000426016982 944624789 /nfs/dbraw/zinc/62/47/89/944624789.db2.gz LGBITCUCTWDJAD-UHFFFAOYSA-N 1 0 354.523 3.675 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000535230028 944634513 /nfs/dbraw/zinc/63/45/13/944634513.db2.gz PCYPAQNSTSAXEV-UHFFFAOYSA-N 1 0 371.431 3.939 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(Cl)c1 ZINC000439454743 944638145 /nfs/dbraw/zinc/63/81/45/944638145.db2.gz SECSYZWSOHRFLR-QGZVFWFLSA-N 1 0 367.880 3.854 20 30 FHEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467405930 944657110 /nfs/dbraw/zinc/65/71/10/944657110.db2.gz ODVHNCFJETYCFE-GXTWGEPZSA-N 1 0 358.301 3.612 20 30 FHEDRO N#Cc1ccc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000506878121 944696846 /nfs/dbraw/zinc/69/68/46/944696846.db2.gz YAWMJXDWXGNUHQ-UHFFFAOYSA-N 1 0 366.484 3.707 20 30 FHEDRO COc1ccccc1/C=C/CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506259959 944710374 /nfs/dbraw/zinc/71/03/74/944710374.db2.gz SGIGCOHKQDTCMO-QPJJXVBHSA-N 1 0 361.489 3.788 20 30 FHEDRO CC1CCN(CC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000518761423 944727511 /nfs/dbraw/zinc/72/75/11/944727511.db2.gz VKPKTQHLSWJOPY-UHFFFAOYSA-N 1 0 363.505 3.959 20 30 FHEDRO CC[NH+]=C(NCCc1c(C)noc1C)N1CCSC2(CCCCC2)C1 ZINC000261995498 944739052 /nfs/dbraw/zinc/73/90/52/944739052.db2.gz SUEZTNYJJPDPER-UHFFFAOYSA-N 1 0 364.559 3.551 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415002014 944771793 /nfs/dbraw/zinc/77/17/93/944771793.db2.gz DDVVWQYHYMVDCE-WMLDXEAASA-N 1 0 350.422 3.599 20 30 FHEDRO N#Cc1nc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1Cl ZINC000518814674 944807046 /nfs/dbraw/zinc/80/70/46/944807046.db2.gz FOLWKFUKBNFLBN-KRWDZBQOSA-N 1 0 361.276 3.931 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418549031 944852050 /nfs/dbraw/zinc/85/20/50/944852050.db2.gz DKVTZHLESYBXAU-UHFFFAOYSA-N 1 0 361.898 3.903 20 30 FHEDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438655828 944884744 /nfs/dbraw/zinc/88/47/44/944884744.db2.gz LSUMFPOYVGDCTH-INIZCTEOSA-N 1 0 368.412 3.705 20 30 FHEDRO C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)[NH+]1CCCCCC1 ZINC000505917550 944888345 /nfs/dbraw/zinc/88/83/45/944888345.db2.gz RPVCFXUEHDUEMC-CJNGLKHVSA-N 1 0 353.388 3.651 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000431987926 944897663 /nfs/dbraw/zinc/89/76/63/944897663.db2.gz RTVGZPDLVKENGK-NHCUHLMSSA-N 1 0 368.525 3.985 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC(N3CCC(C(F)(F)F)CC3)C1)CC2 ZINC000518015234 944934687 /nfs/dbraw/zinc/93/46/87/944934687.db2.gz OXDCKLQDMBYGRJ-FAFZWHIHSA-N 1 0 363.427 3.940 20 30 FHEDRO CC1CCC([NH+]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000426125773 944958746 /nfs/dbraw/zinc/95/87/46/944958746.db2.gz FQCXJFGFCWYZDE-UHFFFAOYSA-N 1 0 360.889 3.940 20 30 FHEDRO COc1cc(F)ccc1N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487379076 944975892 /nfs/dbraw/zinc/97/58/92/944975892.db2.gz RPVCTNRZDHTIFL-UHFFFAOYSA-N 1 0 367.468 3.958 20 30 FHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426134137 944982101 /nfs/dbraw/zinc/98/21/01/944982101.db2.gz RKRMCUVRJZNJAR-UHFFFAOYSA-N 1 0 356.857 3.807 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000425707838 944982200 /nfs/dbraw/zinc/98/22/00/944982200.db2.gz XWQOQRQLXKVOAY-WJMWBRGCSA-N 1 0 373.541 3.642 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000437845856 945021581 /nfs/dbraw/zinc/02/15/81/945021581.db2.gz KMXFRRFNLPNQGT-FQEVSTJZSA-N 1 0 351.494 3.503 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000516582090 945035389 /nfs/dbraw/zinc/03/53/89/945035389.db2.gz QXHJDBWYVXMOAC-LAUBAEHRSA-N 1 0 362.477 3.535 20 30 FHEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000507193749 945036448 /nfs/dbraw/zinc/03/64/48/945036448.db2.gz PJKHNPCEDSJKHD-UHFFFAOYSA-N 1 0 373.250 3.724 20 30 FHEDRO N#Cc1cccc(OCCC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000511762721 945039733 /nfs/dbraw/zinc/03/97/33/945039733.db2.gz NVOYHUDVWGQOEN-ZLNRFVROSA-N 1 0 362.473 3.832 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437127329 945056940 /nfs/dbraw/zinc/05/69/40/945056940.db2.gz XRXDXJUQJVFTCW-IIDMSEBBSA-N 1 0 363.452 3.997 20 30 FHEDRO C[C@@H]1C[C@@H](N2CC[C@H]3SC(=O)C=C3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168047584 945371346 /nfs/dbraw/zinc/37/13/46/945371346.db2.gz QUKRMIKBSQRRHK-WOUAJJJCSA-N 1 0 356.535 3.702 20 30 FHEDRO CCn1ccnc1[C@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000330146452 945376695 /nfs/dbraw/zinc/37/66/95/945376695.db2.gz HXVZAZHQKBKLLG-QGZVFWFLSA-N 1 0 361.534 3.609 20 30 FHEDRO O=C(NCCc1c[nH]c2cc(F)ccc12)NC1CC[NH+](C2CCCC2)CC1 ZINC000330156306 945379913 /nfs/dbraw/zinc/37/99/13/945379913.db2.gz OOIVWGRGWQXDAL-UHFFFAOYSA-N 1 0 372.488 3.760 20 30 FHEDRO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000330162807 945381755 /nfs/dbraw/zinc/38/17/55/945381755.db2.gz AMFCXCJCTBMFOJ-NRFANRHFSA-N 1 0 354.498 3.535 20 30 FHEDRO Cc1c([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cnn1-c1ccc(F)cc1 ZINC000330203114 945400633 /nfs/dbraw/zinc/40/06/33/945400633.db2.gz AMJFSZSVOIISJQ-ORAYPTAESA-N 1 0 356.445 3.964 20 30 FHEDRO O=C(N[C@@H]1CCOC2(CCOCC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000330225696 945411637 /nfs/dbraw/zinc/41/16/37/945411637.db2.gz OHMMUASEKVUPDK-VQTJNVASSA-N 1 0 372.509 3.583 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000330241946 945420703 /nfs/dbraw/zinc/42/07/03/945420703.db2.gz FWHPMKYIRNKABZ-NEPJUHHUSA-N 1 0 350.875 3.723 20 30 FHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164238771 945425590 /nfs/dbraw/zinc/42/55/90/945425590.db2.gz FQRDPATWKPFSAS-JKSUJKDBSA-N 1 0 374.506 3.968 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000330261922 945431149 /nfs/dbraw/zinc/43/11/49/945431149.db2.gz UOTAKFXQHWRVCU-HZPDHXFCSA-N 1 0 365.543 3.771 20 30 FHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000164238890 945432489 /nfs/dbraw/zinc/43/24/89/945432489.db2.gz FQRDPATWKPFSAS-HZPDHXFCSA-N 1 0 374.506 3.968 20 30 FHEDRO CCC[NH+]1CCC(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)CC1 ZINC000330267823 945433908 /nfs/dbraw/zinc/43/39/08/945433908.db2.gz QSXNCXLSBYIXMH-CQSZACIVSA-N 1 0 358.486 3.540 20 30 FHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000330273739 945439310 /nfs/dbraw/zinc/43/93/10/945439310.db2.gz ZQOAZMOZAICMFK-RDGPPVDQSA-N 1 0 365.562 3.738 20 30 FHEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000467411500 945492262 /nfs/dbraw/zinc/49/22/62/945492262.db2.gz OINFDJKXAMYELI-DOTOQJQBSA-N 1 0 362.495 3.763 20 30 FHEDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000415028563 945506321 /nfs/dbraw/zinc/50/63/21/945506321.db2.gz YWHWWUCYXBAYTR-AWEZNQCLSA-N 1 0 352.438 3.636 20 30 FHEDRO C=CCNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(C)cc1 ZINC000027059871 945511468 /nfs/dbraw/zinc/51/14/68/945511468.db2.gz LNAMOVCLDDHNMB-UHFFFAOYSA-O 1 0 353.511 3.922 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000660811297 945518256 /nfs/dbraw/zinc/51/82/56/945518256.db2.gz HJEXFPFKYIPVOG-ZIBCJSCZSA-N 1 0 353.510 3.932 20 30 FHEDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000519632641 945603195 /nfs/dbraw/zinc/60/31/95/945603195.db2.gz ZWNNZUVUKYTITK-GOSISDBHSA-N 1 0 350.422 3.613 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000281360477 945613085 /nfs/dbraw/zinc/61/30/85/945613085.db2.gz SGGSZSONDCJTOP-WIYYLYMNSA-N 1 0 363.461 3.586 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)C(C)C ZINC000048362783 945624892 /nfs/dbraw/zinc/62/48/92/945624892.db2.gz IOONPRXZUPXPDO-FQEVSTJZSA-N 1 0 372.513 3.774 20 30 FHEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000281499189 945664961 /nfs/dbraw/zinc/66/49/61/945664961.db2.gz ASQBRULOQSQPHC-KRWDZBQOSA-N 1 0 373.497 3.716 20 30 FHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000519693800 945667186 /nfs/dbraw/zinc/66/71/86/945667186.db2.gz KBLYZLYQOARRPX-UHFFFAOYSA-N 1 0 359.562 3.755 20 30 FHEDRO C=CCOc1cccc(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000443992484 945687356 /nfs/dbraw/zinc/68/73/56/945687356.db2.gz YWHRJQCJLBYJES-MRXNPFEDSA-N 1 0 365.395 3.610 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(C)cc1 ZINC000027311738 945694681 /nfs/dbraw/zinc/69/46/81/945694681.db2.gz UXROSMIUDCERNM-UHFFFAOYSA-O 1 0 369.510 3.786 20 30 FHEDRO CNC(=S)C(C(=O)c1sc2ccccc2c1C)[n+]1ccc(C)cc1 ZINC000027300944 945702968 /nfs/dbraw/zinc/70/29/68/945702968.db2.gz MAYSVXHDFKVIDU-UHFFFAOYSA-O 1 0 355.508 3.964 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2C(C)C)cc1 ZINC000522711599 945703439 /nfs/dbraw/zinc/70/34/39/945703439.db2.gz GXGAXWAFCRNDMS-FQEVSTJZSA-N 1 0 357.498 3.842 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)c1ccccc1OC ZINC000661115023 945737332 /nfs/dbraw/zinc/73/73/32/945737332.db2.gz OHGNREWHMRQVRM-IRXDYDNUSA-N 1 0 351.512 3.584 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000661115507 945739373 /nfs/dbraw/zinc/73/93/73/945739373.db2.gz DABGIIIYZGPDIU-LPHOPBHVSA-N 1 0 351.494 3.777 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000661116746 945747641 /nfs/dbraw/zinc/74/76/41/945747641.db2.gz ZTXMAMVHGFCKCY-PXNSSMCTSA-N 1 0 369.509 3.867 20 30 FHEDRO C=CC[NH+]1CCC(Nc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440641533 945754899 /nfs/dbraw/zinc/75/48/99/945754899.db2.gz OGMHIRGSCZCCKX-UHFFFAOYSA-N 1 0 371.282 3.931 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)nc1 ZINC000126655259 945777699 /nfs/dbraw/zinc/77/76/99/945777699.db2.gz HNADREYCVMIWCS-GOEBONIOSA-N 1 0 352.404 3.633 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)nc1 ZINC000126655701 945778719 /nfs/dbraw/zinc/77/87/19/945778719.db2.gz HNADREYCVMIWCS-GDBMZVCRSA-N 1 0 352.404 3.633 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000661147000 945779900 /nfs/dbraw/zinc/77/99/00/945779900.db2.gz PNAARCKBSLSDEB-LJQANCHMSA-N 1 0 371.525 3.657 20 30 FHEDRO COc1cc(F)c([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)cc1OC ZINC000281638447 945794217 /nfs/dbraw/zinc/79/42/17/945794217.db2.gz BWTCDLZQJVPDQO-AWEZNQCLSA-N 1 0 350.434 3.594 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)ccc1C#N ZINC000281663140 945803000 /nfs/dbraw/zinc/80/30/00/945803000.db2.gz KYQFRQNQKRXILI-UHFFFAOYSA-N 1 0 364.367 3.936 20 30 FHEDRO O=C(NCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1)C1N=CC=CC1=O ZINC000281686897 945810282 /nfs/dbraw/zinc/81/02/82/945810282.db2.gz RUQPNGFOCUDVAL-ONNQFXDFSA-N 1 0 373.884 3.687 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519875418 945829044 /nfs/dbraw/zinc/82/90/44/945829044.db2.gz BHPKZHMLNYYCAE-HSZRJFAPSA-N 1 0 373.500 3.985 20 30 FHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)nc1 ZINC000440756947 945847541 /nfs/dbraw/zinc/84/75/41/945847541.db2.gz GTIAYTWVBXOKEA-SFHVURJKSA-N 1 0 367.880 3.746 20 30 FHEDRO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000519907689 945871511 /nfs/dbraw/zinc/87/15/11/945871511.db2.gz VQOUFLVQKDQFAV-SFHVURJKSA-N 1 0 369.431 3.970 20 30 FHEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1OCCCO ZINC000550105931 945873068 /nfs/dbraw/zinc/87/30/68/945873068.db2.gz YBXGLNXNMHRLBS-YDHLFZDLSA-N 1 0 367.287 3.553 20 30 FHEDRO CC(C)C[N@H+](CC(=O)N(C)Cc1cccs1)Cc1ccc(C#N)cc1 ZINC000519908636 945873895 /nfs/dbraw/zinc/87/38/95/945873895.db2.gz ILDMCQLWAAFQEB-UHFFFAOYSA-N 1 0 355.507 3.736 20 30 FHEDRO CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000550105733 945874953 /nfs/dbraw/zinc/87/49/53/945874953.db2.gz UVQPBSJXFCVOFC-SFHVURJKSA-N 1 0 350.466 3.687 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000121224752 945881039 /nfs/dbraw/zinc/88/10/39/945881039.db2.gz RBBNZXYWLGSEHX-HSZRJFAPSA-N 1 0 373.500 3.786 20 30 FHEDRO N#Cc1ccc(C(=O)N2CCC[C@@]3(CCC[N@@H+](C4CCCC4)C3)C2)cc1 ZINC001271561875 945881976 /nfs/dbraw/zinc/88/19/76/945881976.db2.gz KEVKQXFHCROQNX-JOCHJYFZSA-N 1 0 351.494 3.819 20 30 FHEDRO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC001271562832 945885673 /nfs/dbraw/zinc/88/56/73/945885673.db2.gz ZNOVJOVQIHYEGZ-DZFGPLHGSA-N 1 0 353.510 3.921 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000519904472 945888654 /nfs/dbraw/zinc/88/86/54/945888654.db2.gz MDVQHWIMDSNECX-OAQYLSRUSA-N 1 0 359.489 3.667 20 30 FHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c(O)cccc3Cl)CC2)nc1 ZINC000125406828 945894291 /nfs/dbraw/zinc/89/42/91/945894291.db2.gz DQZGMLYZIVADSG-UHFFFAOYSA-N 1 0 357.841 3.792 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCC3(CCCCC3)O2)cc1Cl ZINC000262391670 945900305 /nfs/dbraw/zinc/90/03/05/945900305.db2.gz POMDKLUKQHQPDE-CQSZACIVSA-N 1 0 351.878 3.957 20 30 FHEDRO N#CC1(CCC[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)CCOCC1 ZINC000281899034 945917625 /nfs/dbraw/zinc/91/76/25/945917625.db2.gz FMMDWAPKTCQYCC-SFHVURJKSA-N 1 0 352.482 3.601 20 30 FHEDRO COc1cccc(C[N@H+](CCCC2(C#N)CCOCC2)C[C@@H]2CCCO2)c1 ZINC000281912324 945926425 /nfs/dbraw/zinc/92/64/25/945926425.db2.gz GPHLQXFBJXBLMQ-NRFANRHFSA-N 1 0 372.509 3.777 20 30 FHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c(-c2ccncc2)n1 ZINC000281921425 945933116 /nfs/dbraw/zinc/93/31/16/945933116.db2.gz GWABISHNIUKFLX-OAHLLOKOSA-N 1 0 359.424 3.774 20 30 FHEDRO N#CC1(CCC[N@@H+](CCCO)[C@H]2CCCc3ccccc32)CCOCC1 ZINC000281962057 945994433 /nfs/dbraw/zinc/99/44/33/945994433.db2.gz KMONDTUWLFIOQI-NRFANRHFSA-N 1 0 356.510 3.849 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]1 ZINC000662796930 946011919 /nfs/dbraw/zinc/01/19/19/946011919.db2.gz DHVPXUCXRUTCHP-MLGOLLRUSA-N 1 0 373.444 3.566 20 30 FHEDRO C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508465594 946030301 /nfs/dbraw/zinc/03/03/01/946030301.db2.gz QOIXUVLOHLWNHG-INIZCTEOSA-N 1 0 373.932 3.953 20 30 FHEDRO Cc1ccc(C(C)(C)C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000444177121 946035175 /nfs/dbraw/zinc/03/51/75/946035175.db2.gz SKNRMBVSMWBURD-NRFANRHFSA-N 1 0 361.489 3.882 20 30 FHEDRO CSCCCNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccc(C)cc1 ZINC000027481309 946078269 /nfs/dbraw/zinc/07/82/69/946078269.db2.gz KZWYTWJOYJEOBA-UHFFFAOYSA-O 1 0 373.567 3.872 20 30 FHEDRO CC1CCC([N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]2CCCO2)CC1 ZINC000444212803 946080832 /nfs/dbraw/zinc/08/08/32/946080832.db2.gz NKFCJYNLUVAWKD-LYBXBRPPSA-N 1 0 369.509 3.947 20 30 FHEDRO N#CC1CCC(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000440997693 946097722 /nfs/dbraw/zinc/09/77/22/946097722.db2.gz KTLWHLHBUJDIAH-UHFFFAOYSA-N 1 0 360.546 3.614 20 30 FHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000444234048 946098729 /nfs/dbraw/zinc/09/87/29/946098729.db2.gz CLVIWHJUSNQCSW-CQSZACIVSA-N 1 0 371.868 3.722 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCC1CCC(C#N)CC1)Cc1ccccc1 ZINC000441005377 946104734 /nfs/dbraw/zinc/10/47/34/946104734.db2.gz CTAOWWJXHIBOKA-XVAXZDLZSA-N 1 0 370.541 3.569 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)NCC1CCC(C#N)CC1)c1ccsc1 ZINC000441012850 946115024 /nfs/dbraw/zinc/11/50/24/946115024.db2.gz SNAPBEXMTZYKGQ-LEOMRAHMSA-N 1 0 362.543 3.760 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000188252658 946200039 /nfs/dbraw/zinc/20/00/39/946200039.db2.gz ISPVBHFSNQRWCX-PGRDOPGGSA-N 1 0 358.526 3.906 20 30 FHEDRO CCCc1c(NC(=O)[C@@H](CC)[NH+](CC)CC)cnn1-c1cccc(C#N)c1 ZINC000440074486 946282794 /nfs/dbraw/zinc/28/27/94/946282794.db2.gz RPUQVZYPCNATCH-LJQANCHMSA-N 1 0 367.497 3.755 20 30 FHEDRO C=CC[N@@H+](CCC(=O)N(C)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000441180361 946286503 /nfs/dbraw/zinc/28/65/03/946286503.db2.gz WLDHFOLZYUHCLB-UHFFFAOYSA-N 1 0 353.422 3.636 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167800 946409003 /nfs/dbraw/zinc/40/90/03/946409003.db2.gz KCEKXVVJYNBVKK-KRWDZBQOSA-N 1 0 359.495 3.876 20 30 FHEDRO C=CCOc1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121307260 946413244 /nfs/dbraw/zinc/41/32/44/946413244.db2.gz MOIKPPXQWBOAGZ-UHFFFAOYSA-N 1 0 352.478 3.720 20 30 FHEDRO Cc1onc(-c2ccccc2)c1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001141988530 946444292 /nfs/dbraw/zinc/44/42/92/946444292.db2.gz YVTBRTHHPXMQHO-UHFFFAOYSA-N 1 0 373.460 3.629 20 30 FHEDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000475126574 946449278 /nfs/dbraw/zinc/44/92/78/946449278.db2.gz FVRFTXDQXKKCGB-JOCHJYFZSA-N 1 0 350.462 3.874 20 30 FHEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000441332190 946463287 /nfs/dbraw/zinc/46/32/87/946463287.db2.gz QLKFLQAJHGNLSG-FCHUYYIVSA-N 1 0 361.489 3.751 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000535279188 946476137 /nfs/dbraw/zinc/47/61/37/946476137.db2.gz CGTXVPIGLVHLRA-HZPDHXFCSA-N 1 0 371.262 3.755 20 30 FHEDRO [NH2+]=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)Nc1ccccn1 ZINC000262516066 946494897 /nfs/dbraw/zinc/49/48/97/946494897.db2.gz GLIHPBBQEMURON-QGZVFWFLSA-N 1 0 357.889 3.516 20 30 FHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441349624 946502059 /nfs/dbraw/zinc/50/20/59/946502059.db2.gz PLRBUMOBZDNHBX-IERDGZPVSA-N 1 0 362.477 3.788 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccccc2CO)c1 ZINC000066905436 946504996 /nfs/dbraw/zinc/50/49/96/946504996.db2.gz JQBUBPGILPVCNM-UHFFFAOYSA-N 1 0 358.441 3.919 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)c1cc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000186132458 946507375 /nfs/dbraw/zinc/50/73/75/946507375.db2.gz FZLWPTFWHQPWAM-AWEZNQCLSA-N 1 0 367.396 3.671 20 30 FHEDRO N#CC1CCC(C[NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000441367679 946515791 /nfs/dbraw/zinc/51/57/91/946515791.db2.gz INGUZLFDHJTZJN-UHFFFAOYSA-N 1 0 351.244 3.597 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1ccc(C#N)cc1 ZINC000481253263 946520049 /nfs/dbraw/zinc/52/00/49/946520049.db2.gz HQGYXBPJWJCKNI-FIKGOQFSSA-N 1 0 362.477 3.581 20 30 FHEDRO FC1(F)[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897054494 946540849 /nfs/dbraw/zinc/54/08/49/946540849.db2.gz IBCRWPOAHMLIKO-DJLDLDEBSA-N 1 0 369.321 3.842 20 30 FHEDRO CSC1(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 ZINC000897056853 946543288 /nfs/dbraw/zinc/54/32/88/946543288.db2.gz YMKOMMMRTZBQMK-HTQZYQBOSA-N 1 0 369.321 3.985 20 30 FHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1snc(Cl)c1C#N ZINC000092687712 946591169 /nfs/dbraw/zinc/59/11/69/946591169.db2.gz XTXZFAOBFGUMNH-UHFFFAOYSA-N 1 0 354.829 3.769 20 30 FHEDRO C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)Cn1ccnc1 ZINC000066905628 946594766 /nfs/dbraw/zinc/59/47/66/946594766.db2.gz URBOLCSLHWFJRQ-GOSISDBHSA-N 1 0 360.461 3.760 20 30 FHEDRO CC[NH+]1CCC(n2nccc2NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000475534730 946614205 /nfs/dbraw/zinc/61/42/05/946614205.db2.gz WLFKJEINUGNVGR-SFHVURJKSA-N 1 0 365.481 3.566 20 30 FHEDRO [NH2+]=C(NCc1ccnc(N2CCCCC2)c1)Nc1cccc2c1CCCC2 ZINC000262453327 946636028 /nfs/dbraw/zinc/63/60/28/946636028.db2.gz KGZCDQFXUBFGNJ-UHFFFAOYSA-N 1 0 363.509 3.878 20 30 FHEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000121407502 946669471 /nfs/dbraw/zinc/66/94/71/946669471.db2.gz SXBSYMVWQHNVAS-CJNGLKHVSA-N 1 0 357.454 3.965 20 30 FHEDRO Cc1nc2ccccc2n1CCCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000303793638 946692323 /nfs/dbraw/zinc/69/23/23/946692323.db2.gz ZSRMCSICJNIMKH-UHFFFAOYSA-N 1 0 365.481 3.949 20 30 FHEDRO CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000190618780 946700185 /nfs/dbraw/zinc/70/01/85/946700185.db2.gz GKQVPSZAXBXZQV-RTBURBONSA-N 1 0 363.461 3.555 20 30 FHEDRO CC(C)([NH2+]Cc1cccc(OCCCC#N)c1)C(=O)NCC1CCCCC1 ZINC000129504330 946700412 /nfs/dbraw/zinc/70/04/12/946700412.db2.gz BKWMOMDIBVSANZ-UHFFFAOYSA-N 1 0 371.525 3.934 20 30 FHEDRO C[C@@H](NC(=[NH2+])NCCCOCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000303877860 946722223 /nfs/dbraw/zinc/72/22/23/946722223.db2.gz FSCAJSFFDOLIFE-SECBINFHSA-N 1 0 372.218 3.928 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000597172233 946725116 /nfs/dbraw/zinc/72/51/16/946725116.db2.gz CHYUUWSGHUHHBF-AEFFLSMTSA-N 1 0 365.514 3.763 20 30 FHEDRO C=C(C)C[NH+]1CCC(NCc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000106245007 946731841 /nfs/dbraw/zinc/73/18/41/946731841.db2.gz UYWMRKVCRUFSQG-UHFFFAOYSA-N 1 0 371.506 3.669 20 30 FHEDRO COc1c(C)cnc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1C ZINC000303983319 946752480 /nfs/dbraw/zinc/75/24/80/946752480.db2.gz RBONZSLKKKHPNP-UHFFFAOYSA-N 1 0 368.359 3.532 20 30 FHEDRO [NH2+]=C(NCc1cc2ccccc2o1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304477731 946782432 /nfs/dbraw/zinc/78/24/32/946782432.db2.gz HHJKXFVDPVSFRQ-UHFFFAOYSA-N 1 0 363.339 3.936 20 30 FHEDRO CCCCOc1ccc(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000304482171 946782325 /nfs/dbraw/zinc/78/23/25/946782325.db2.gz KBFWKXVPGDSHJI-FQEVSTJZSA-N 1 0 367.493 3.836 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC(CC[NH2+]C)CC1)c1ccc(F)c(F)c1 ZINC000418029260 946790233 /nfs/dbraw/zinc/79/02/33/946790233.db2.gz LFVQWVPSLQESLP-SFHVURJKSA-N 1 0 351.441 3.613 20 30 FHEDRO C=CCC1([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCC1 ZINC000661865467 946791804 /nfs/dbraw/zinc/79/18/04/946791804.db2.gz PMQLNSKMRMEDRI-UHFFFAOYSA-N 1 0 364.411 3.652 20 30 FHEDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000304762597 946794024 /nfs/dbraw/zinc/79/40/24/946794024.db2.gz VWNLOFGXTWWART-UHFFFAOYSA-N 1 0 366.387 3.886 20 30 FHEDRO C[N@H+](CCCC1(C#N)CCOCC1)C1CCN(Cc2ccccc2)CC1 ZINC000282014090 946832529 /nfs/dbraw/zinc/83/25/29/946832529.db2.gz OQENGGYIZQGGMI-UHFFFAOYSA-N 1 0 355.526 3.683 20 30 FHEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(Br)cc1C(F)(F)F ZINC000305638332 946854985 /nfs/dbraw/zinc/85/49/85/946854985.db2.gz ALDTZYAZQNGFPJ-QMMMGPOBSA-N 1 0 352.198 3.671 20 30 FHEDRO COc1ccccc1OC[C@@H](C)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000305715047 946861881 /nfs/dbraw/zinc/86/18/81/946861881.db2.gz ZOASCWBXBJNFLE-HNNXBMFYSA-N 1 0 353.466 3.626 20 30 FHEDRO COc1cccc(NC2CC[NH+](CCOc3ccccc3C#N)CC2)c1 ZINC000110036855 946876494 /nfs/dbraw/zinc/87/64/94/946876494.db2.gz XKQDPUXRGLZUAY-UHFFFAOYSA-N 1 0 351.450 3.522 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(F)c1C#N)c1cccc(OC)c1 ZINC000186325245 946913576 /nfs/dbraw/zinc/91/35/76/946913576.db2.gz ZNUJYUGGDYZQRZ-FQEVSTJZSA-N 1 0 369.440 3.519 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000125608139 946953103 /nfs/dbraw/zinc/95/31/03/946953103.db2.gz LDCRIOQJYQDPSB-WWMYMODYSA-N 1 0 362.477 3.581 20 30 FHEDRO C[NH+]=C(NCc1cnc(C)s1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262478118 946954307 /nfs/dbraw/zinc/95/43/07/946954307.db2.gz QRKBEBQHBYJNPM-OAHLLOKOSA-N 1 0 360.552 3.641 20 30 FHEDRO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328657534 946968131 /nfs/dbraw/zinc/96/81/31/946968131.db2.gz PFFAEDJPNAATQZ-OLZOCXBDSA-N 1 0 359.804 3.703 20 30 FHEDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328671788 946975132 /nfs/dbraw/zinc/97/51/32/946975132.db2.gz HOEHKGJLSQWDBH-SKIXWLFMSA-N 1 0 358.526 3.847 20 30 FHEDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N(C)C)cc1 ZINC000067505938 947000060 /nfs/dbraw/zinc/00/00/60/947000060.db2.gz VJINXLIBNBUQKD-QFIPXVFZSA-N 1 0 350.510 3.737 20 30 FHEDRO COc1ccc(-c2ccc(C)c(NC(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)c2)cn1 ZINC000328713484 947001037 /nfs/dbraw/zinc/00/10/37/947001037.db2.gz RZXCOWXMLITMCV-HOTGVXAUSA-N 1 0 368.481 3.636 20 30 FHEDRO CCNC(=O)N1CCc2ccc(NC(=O)CC[N@@H+]3CCCC[C@H]3C)cc21 ZINC000328752472 947011161 /nfs/dbraw/zinc/01/11/61/947011161.db2.gz CXTWMMHXSOFUFO-OAHLLOKOSA-N 1 0 358.486 3.836 20 30 FHEDRO Cc1nc2c(cccc2C(=O)NCC2([NH+]3CCSCC3)CCCC2)[nH]1 ZINC000328734489 947027574 /nfs/dbraw/zinc/02/75/74/947027574.db2.gz IKVMKDTVPDOYGC-UHFFFAOYSA-N 1 0 358.511 3.538 20 30 FHEDRO Cc1ccc2nc(NC(=O)C[N@@H+]3CC[C@H](C4CCOCC4)C3)sc2c1 ZINC000328812064 947032073 /nfs/dbraw/zinc/03/20/73/947032073.db2.gz FNPDFOFCVFOODR-HNNXBMFYSA-N 1 0 359.495 3.941 20 30 FHEDRO O=C(Nc1cccc2ccsc21)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000328812618 947032310 /nfs/dbraw/zinc/03/23/10/947032310.db2.gz NARUYNGVYONSDR-MSOLQXFVSA-N 1 0 373.522 3.995 20 30 FHEDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1CCCC12CCOCC2 ZINC000328815546 947034395 /nfs/dbraw/zinc/03/43/95/947034395.db2.gz NQNXHRWZBGHFQI-UXHICEINSA-N 1 0 371.525 3.676 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328819416 947036857 /nfs/dbraw/zinc/03/68/57/947036857.db2.gz HIASXSLUKTYBHK-CJNGLKHVSA-N 1 0 361.873 3.937 20 30 FHEDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc(-n2ccnn2)cc1 ZINC000328797569 947050373 /nfs/dbraw/zinc/05/03/73/947050373.db2.gz VYQUFPLGLBUGTH-HNAYVOBHSA-N 1 0 353.470 3.692 20 30 FHEDRO C=CC[C@H]1N(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCCC1(C)C ZINC000444633923 947063571 /nfs/dbraw/zinc/06/35/71/947063571.db2.gz FRHHHWHGAAIUAU-OAQYLSRUSA-N 1 0 369.553 3.641 20 30 FHEDRO COc1ccccc1-c1noc(C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000328853118 947065574 /nfs/dbraw/zinc/06/55/74/947065574.db2.gz SLXNJUNXQODFCX-GDBMZVCRSA-N 1 0 352.438 3.617 20 30 FHEDRO C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000328855715 947066983 /nfs/dbraw/zinc/06/69/83/947066983.db2.gz CTJIWOVKBATSKJ-AEFFLSMTSA-N 1 0 359.514 3.742 20 30 FHEDRO C[C@@H]1C[C@@H](C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCC1=O ZINC000328954767 947099772 /nfs/dbraw/zinc/09/97/72/947099772.db2.gz MYKWQTRCKGNDNY-AEFFLSMTSA-N 1 0 369.509 3.812 20 30 FHEDRO COc1ccc(-c2nc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cs2)cc1 ZINC000328913567 947105601 /nfs/dbraw/zinc/10/56/01/947105601.db2.gz IFZDAVLPDNGUEU-WBVHZDCISA-N 1 0 357.479 3.750 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ncoc3C3CC3)c2)CC1 ZINC000328916035 947107625 /nfs/dbraw/zinc/10/76/25/947107625.db2.gz AEKHSISZQVTAFV-UHFFFAOYSA-N 1 0 354.454 3.719 20 30 FHEDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444685054 947108889 /nfs/dbraw/zinc/10/88/89/947108889.db2.gz MRQKSPOKZZFNOX-VXKWHMMOSA-N 1 0 364.489 3.670 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cscc1C(F)F ZINC000888954132 947109111 /nfs/dbraw/zinc/10/91/11/947109111.db2.gz GVYSVFGLACAACR-UHFFFAOYSA-N 1 0 363.433 3.761 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000432292255 947136702 /nfs/dbraw/zinc/13/67/02/947136702.db2.gz SJTXCUWCRMBLCW-OXQOHEQNSA-N 1 0 362.477 3.899 20 30 FHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444711016 947138224 /nfs/dbraw/zinc/13/82/24/947138224.db2.gz WJBVFVFRAQRDHK-KRIMKBQASA-N 1 0 359.436 3.580 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444711311 947139444 /nfs/dbraw/zinc/13/94/44/947139444.db2.gz UQKBXAYZXNGBHH-UONOGXRCSA-N 1 0 360.445 3.926 20 30 FHEDRO C[NH+](C)C1(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CCCC1 ZINC000328998889 947140263 /nfs/dbraw/zinc/14/02/63/947140263.db2.gz WZRRFTRHRNOTHW-HNNXBMFYSA-N 1 0 363.527 3.574 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C/C=C/c3ccc(F)c(F)c3)C2=O)cc1 ZINC000511955568 947140269 /nfs/dbraw/zinc/14/02/69/947140269.db2.gz PGAABJSMRHTLBA-JHLGBQPCSA-N 1 0 367.399 3.635 20 30 FHEDRO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000193018023 947142672 /nfs/dbraw/zinc/14/26/72/947142672.db2.gz ZLHVQRJCRZTZJT-LNLFQRSKSA-N 1 0 357.498 3.715 20 30 FHEDRO N#CCCCOc1cccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000093766370 947153697 /nfs/dbraw/zinc/15/36/97/947153697.db2.gz YDQODRNBYRXKNY-QGZVFWFLSA-N 1 0 356.388 3.504 20 30 FHEDRO N#CCCCOc1cccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000093766369 947153813 /nfs/dbraw/zinc/15/38/13/947153813.db2.gz YDQODRNBYRXKNY-KRWDZBQOSA-N 1 0 356.388 3.504 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000049798692 947157039 /nfs/dbraw/zinc/15/70/39/947157039.db2.gz ZLTPZFKGWBLJEE-NRFANRHFSA-N 1 0 367.493 3.696 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000444745892 947182232 /nfs/dbraw/zinc/18/22/32/947182232.db2.gz UAXMZZNRLXTJNF-DCGLDWPTSA-N 1 0 366.303 3.543 20 30 FHEDRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(C#N)cc1 ZINC000523380921 947202658 /nfs/dbraw/zinc/20/26/58/947202658.db2.gz WCRXVOAUWVQIKB-MRXNPFEDSA-N 1 0 365.502 3.598 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000662086229 947225918 /nfs/dbraw/zinc/22/59/18/947225918.db2.gz QAOGPVSBNZEHFP-KDURUIRLSA-N 1 0 361.489 3.967 20 30 FHEDRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H](C)C[NH+](C)C)c12 ZINC000330683243 947233700 /nfs/dbraw/zinc/23/37/00/947233700.db2.gz QXIZCWCERPXGNW-ZDUSSCGKSA-N 1 0 359.518 3.873 20 30 FHEDRO COC(=O)c1cc(NC(=O)NC2CC[NH+](CC(C)C)CC2)cc(C)c1C ZINC000330722288 947260655 /nfs/dbraw/zinc/26/06/55/947260655.db2.gz FRJWJGNNRHKGFP-UHFFFAOYSA-N 1 0 361.486 3.536 20 30 FHEDRO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000247206836 947263948 /nfs/dbraw/zinc/26/39/48/947263948.db2.gz RJGQMPPHUFRRLW-XTBIFASLSA-N 1 0 363.546 3.587 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)C[C@H]1C ZINC000330804385 947277159 /nfs/dbraw/zinc/27/71/59/947277159.db2.gz KHMGAULBIXGKOJ-DOMZBBRYSA-N 1 0 351.878 3.893 20 30 FHEDRO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000330876629 947290567 /nfs/dbraw/zinc/29/05/67/947290567.db2.gz FYHMZFNARVUXIR-CHWSQXEVSA-N 1 0 366.893 3.649 20 30 FHEDRO COC(=O)c1cc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c(C)cc1C ZINC000330955419 947315824 /nfs/dbraw/zinc/31/58/24/947315824.db2.gz BLVREAAUQBHHHL-UHFFFAOYSA-N 1 0 361.486 3.536 20 30 FHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC ZINC000330963066 947318646 /nfs/dbraw/zinc/31/86/46/947318646.db2.gz GOWNWMGQSNZUHD-CQSZACIVSA-N 1 0 364.559 3.983 20 30 FHEDRO Cc1nn(CC(F)(F)F)cc1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000331054171 947335955 /nfs/dbraw/zinc/33/59/55/947335955.db2.gz NTINXIHJDZEEMX-BETUJISGSA-N 1 0 374.451 3.815 20 30 FHEDRO C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000599438721 947343425 /nfs/dbraw/zinc/34/34/25/947343425.db2.gz ZNMALXOIICNVKC-HKBOAZHASA-N 1 0 356.510 3.716 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cl)c(OC)cc2OC)C[C@@H]1C ZINC000331135794 947354082 /nfs/dbraw/zinc/35/40/82/947354082.db2.gz CSHGHOBYHZKBNJ-STQMWFEESA-N 1 0 369.893 3.707 20 30 FHEDRO CCNC(=O)Nc1ccc(C)c(NC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC000331166012 947361406 /nfs/dbraw/zinc/36/14/06/947361406.db2.gz DRIXJNDUUXMQAI-UHFFFAOYSA-N 1 0 360.502 3.791 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(NC(=O)C(C)C)c2)C[C@H]1C ZINC000331128771 947363325 /nfs/dbraw/zinc/36/33/25/947363325.db2.gz OJGIEDGMXDLYPD-QAPCUYQASA-N 1 0 360.502 3.631 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000331227189 947365230 /nfs/dbraw/zinc/36/52/30/947365230.db2.gz BLRVDKCGEURTMQ-UHFFFAOYSA-N 1 0 370.291 3.658 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2sc(C)c(C)c2C(=O)OC)C[C@H]1C ZINC000331277773 947376201 /nfs/dbraw/zinc/37/62/01/947376201.db2.gz JOZMVDASXVFACJ-BXUZGUMPSA-N 1 0 367.515 3.502 20 30 FHEDRO CC(=O)Nc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(Cl)c1 ZINC000331236505 947377327 /nfs/dbraw/zinc/37/73/27/947377327.db2.gz HLUXIJGSFXDPLS-HNNXBMFYSA-N 1 0 366.893 3.650 20 30 FHEDRO C=CCOc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)cc1OC ZINC000909613609 947383317 /nfs/dbraw/zinc/38/33/17/947383317.db2.gz FYAAITXDICUYHN-UHFFFAOYSA-N 1 0 354.450 3.882 20 30 FHEDRO C[NH+](C)CC1CCC(NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000331309046 947383301 /nfs/dbraw/zinc/38/33/01/947383301.db2.gz GUQHZSUWVWQJJX-UHFFFAOYSA-N 1 0 364.287 3.746 20 30 FHEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440620679 947388505 /nfs/dbraw/zinc/38/85/05/947388505.db2.gz GUQRGHABIVFULS-LJQANCHMSA-N 1 0 359.857 3.953 20 30 FHEDRO N#Cc1ccc(CNC(=O)C[N@H+](CCc2ccccc2)C2CCCC2)cc1 ZINC000523606642 947412863 /nfs/dbraw/zinc/41/28/63/947412863.db2.gz KZZVESRQJHGGPZ-UHFFFAOYSA-N 1 0 361.489 3.662 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440628008 947429567 /nfs/dbraw/zinc/42/95/67/947429567.db2.gz VAXZODOOHCIFQT-AZUAARDMSA-N 1 0 373.859 3.894 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCS[C@H](C)[C@H]1C ZINC000253485190 947432657 /nfs/dbraw/zinc/43/26/57/947432657.db2.gz MPUADMWZTHAFKX-RBSFLKMASA-N 1 0 363.552 3.703 20 30 FHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CC1CCCCC1)c1ccccc1 ZINC000523623608 947453554 /nfs/dbraw/zinc/45/35/54/947453554.db2.gz PKMDGOSWWVLGRE-APWZRJJASA-N 1 0 357.498 3.688 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2ccsc2Br)O1 ZINC000367184640 947491105 /nfs/dbraw/zinc/49/11/05/947491105.db2.gz GVMRMYIGWYOKPK-YIYPIFLZSA-N 1 0 355.301 3.840 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccnc1C(F)(F)F)C(C)C ZINC000188351803 947544995 /nfs/dbraw/zinc/54/49/95/947544995.db2.gz VAGMHDANWOLVKA-OAHLLOKOSA-N 1 0 355.404 3.529 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000280805750 947559428 /nfs/dbraw/zinc/55/94/28/947559428.db2.gz LIYSUDPEYIFLPF-LBTNJELSSA-N 1 0 370.415 3.993 20 30 FHEDRO C=CC[C@H]1N(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCCC1(C)C ZINC000445267436 947649203 /nfs/dbraw/zinc/64/92/03/947649203.db2.gz RJUWNRPVJGGYSD-HXUWFJFHSA-N 1 0 370.541 3.822 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000189631177 947788779 /nfs/dbraw/zinc/78/87/79/947788779.db2.gz DALQUDCNLWSRNT-FQEVSTJZSA-N 1 0 364.917 3.649 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CCC[NH2+]1 ZINC000662437956 947804348 /nfs/dbraw/zinc/80/43/48/947804348.db2.gz KQWDUDMBRSUEKR-IBGZPJMESA-N 1 0 352.463 3.700 20 30 FHEDRO C=CC[C@@]1(C(=O)NCCc2ccc(-c3csc(C)n3)s2)CCC[NH2+]1 ZINC000662457494 947828891 /nfs/dbraw/zinc/82/88/91/947828891.db2.gz PCNARAMQAHQAHT-SFHVURJKSA-N 1 0 361.536 3.537 20 30 FHEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189807689 947840724 /nfs/dbraw/zinc/84/07/24/947840724.db2.gz ZCSQCQRGIBOXBD-UHFFFAOYSA-N 1 0 353.466 3.516 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)CCC[NH2+]1 ZINC000662493866 947868290 /nfs/dbraw/zinc/86/82/90/947868290.db2.gz JZZJGBBYAPXGJV-XOBRGWDASA-N 1 0 355.507 3.994 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CCC[NH2+]1 ZINC000662501804 947872508 /nfs/dbraw/zinc/87/25/08/947872508.db2.gz FLEPCUPQFRIBNQ-KKSFZXQISA-N 1 0 360.498 3.606 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CCC[NH2+]1 ZINC000662521960 947891291 /nfs/dbraw/zinc/89/12/91/947891291.db2.gz PEEUHFWIXHSZAA-IBGZPJMESA-N 1 0 373.840 3.822 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)CCC[NH2+]1 ZINC000662537270 947900347 /nfs/dbraw/zinc/90/03/47/947900347.db2.gz ZIMBDTAFDNOROG-VGOFRKELSA-N 1 0 369.509 3.646 20 30 FHEDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662567896 947907816 /nfs/dbraw/zinc/90/78/16/947907816.db2.gz INHCNMCMOPNTMF-SECBINFHSA-N 1 0 374.300 3.833 20 30 FHEDRO C=CC[C@]1(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)CCC[NH2+]1 ZINC000662675243 947976059 /nfs/dbraw/zinc/97/60/59/947976059.db2.gz MJBDQWBGWXQRDH-JOCHJYFZSA-N 1 0 365.477 3.805 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CCC[NH2+]1 ZINC000662683003 947981537 /nfs/dbraw/zinc/98/15/37/947981537.db2.gz LJURROSYOPVIAD-JTSKRJEESA-N 1 0 365.477 3.536 20 30 FHEDRO C=CCSCC[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000222058231 947988482 /nfs/dbraw/zinc/98/84/82/947988482.db2.gz GSDMKBAPVVPYEL-UHFFFAOYSA-N 1 0 360.317 3.865 20 30 FHEDRO CN(Cc1cccc(C#N)c1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184638889 947994190 /nfs/dbraw/zinc/99/41/90/947994190.db2.gz SJZMWMCEESCDOC-UHFFFAOYSA-N 1 0 361.489 3.819 20 30 FHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000278888707 948000638 /nfs/dbraw/zinc/00/06/38/948000638.db2.gz ONWWZTUFKJJNGP-JXFKEZNVSA-N 1 0 365.452 3.822 20 30 FHEDRO C[NH+](C)C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000549616388 948072435 /nfs/dbraw/zinc/07/24/35/948072435.db2.gz AXRZERIYTOOSCD-LJQANCHMSA-N 1 0 355.869 3.563 20 30 FHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](CC(F)(F)F)C2)sc2c1CCC2 ZINC000278918551 948111780 /nfs/dbraw/zinc/11/17/80/948111780.db2.gz WKGLOFHWHNVXOU-LLVKDONJSA-N 1 0 371.428 3.711 20 30 FHEDRO C=CCC(C)(C)CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000458812768 948143151 /nfs/dbraw/zinc/14/31/51/948143151.db2.gz RFGMOEFHGABLCU-UXHICEINSA-N 1 0 355.526 3.752 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000280820726 948199554 /nfs/dbraw/zinc/19/95/54/948199554.db2.gz NGXMIYQWSDCBGI-VCBZYWHSSA-N 1 0 350.890 3.936 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)ccc1OC ZINC000466890652 948210333 /nfs/dbraw/zinc/21/03/33/948210333.db2.gz LHEXURHSRQHQEC-HXUWFJFHSA-N 1 0 355.478 3.652 20 30 FHEDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1C#N ZINC000237178680 948216788 /nfs/dbraw/zinc/21/67/88/948216788.db2.gz YZWSATKZPDMDEN-AEFFLSMTSA-N 1 0 373.497 3.740 20 30 FHEDRO C[C@H]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000520533994 948241617 /nfs/dbraw/zinc/24/16/17/948241617.db2.gz QXDDETOHGRXLTO-GHTZIAJQSA-N 1 0 368.525 3.602 20 30 FHEDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000760040713 948296051 /nfs/dbraw/zinc/29/60/51/948296051.db2.gz KZISCDTYZIOHDS-ONGXBYRLSA-N 1 0 354.425 3.545 20 30 FHEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000585794459 948297647 /nfs/dbraw/zinc/29/76/47/948297647.db2.gz XNHFHQDXHVXWAU-OYHNWAKOSA-N 1 0 364.468 3.974 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ccc(F)cc3)C3CC3)CC2)nc1 ZINC000585794106 948301303 /nfs/dbraw/zinc/30/13/03/948301303.db2.gz DWEVMOGRYQLMBU-OAQYLSRUSA-N 1 0 350.441 3.802 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3Cc3ccccc3)CC2)nc1 ZINC000585794058 948301669 /nfs/dbraw/zinc/30/16/69/948301669.db2.gz AARKNTZPERVZKN-UNMCSNQZSA-N 1 0 360.505 3.923 20 30 FHEDRO CC[NH+](CC)CCOC1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000467780948 948308858 /nfs/dbraw/zinc/30/88/58/948308858.db2.gz XUVHRLHXAHJISQ-UHFFFAOYSA-N 1 0 369.431 3.904 20 30 FHEDRO CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000507783862 948390271 /nfs/dbraw/zinc/39/02/71/948390271.db2.gz GQJDUMXPUQWDFP-FQEVSTJZSA-N 1 0 352.478 3.846 20 30 FHEDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1 ZINC001143586728 948410320 /nfs/dbraw/zinc/41/03/20/948410320.db2.gz UMVATBNXTRCPMF-JOCHJYFZSA-N 1 0 363.436 3.635 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)N2CCC(F)(C#N)CC2)[NH+](CC)CC)cc1 ZINC000432434267 948414359 /nfs/dbraw/zinc/41/43/59/948414359.db2.gz MVOFZAAMQAXKAC-LJQANCHMSA-N 1 0 374.504 3.669 20 30 FHEDRO C[NH+](C)CCCOc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 ZINC000107194902 948421802 /nfs/dbraw/zinc/42/18/02/948421802.db2.gz JRFPJCLZIVEYBR-UHFFFAOYSA-N 1 0 369.490 3.620 20 30 FHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000614629268 948442260 /nfs/dbraw/zinc/44/22/60/948442260.db2.gz YTSOMTJPQYRSGS-INIZCTEOSA-N 1 0 367.880 3.948 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000549626948 948485407 /nfs/dbraw/zinc/48/54/07/948485407.db2.gz VXYUAGASSLFRES-IRNNPGBSSA-N 1 0 359.473 3.835 20 30 FHEDRO C[C@@H](NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000107385256 948493967 /nfs/dbraw/zinc/49/39/67/948493967.db2.gz YPADBHOFLODPCL-MRXNPFEDSA-N 1 0 366.465 3.771 20 30 FHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000190703812 948516399 /nfs/dbraw/zinc/51/63/99/948516399.db2.gz SGPCWJVCMXAVHM-CQSZACIVSA-N 1 0 369.431 3.624 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895112030 948681529 /nfs/dbraw/zinc/68/15/29/948681529.db2.gz SPEMTOQEKKHCAE-WDSOQIARSA-N 1 0 350.466 3.649 20 30 FHEDRO Cc1nccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1Cl ZINC000159173466 567864997 /nfs/dbraw/zinc/86/49/97/567864997.db2.gz AAVUMIBPZXTIGK-UHFFFAOYSA-N 1 0 371.872 3.511 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000481393852 567892181 /nfs/dbraw/zinc/89/21/81/567892181.db2.gz SSXUDTZQOVMBOK-YJYMSZOUSA-N 1 0 357.841 3.516 20 30 FHEDRO C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000602071294 567925675 /nfs/dbraw/zinc/92/56/75/567925675.db2.gz KPTAUNKYAQYCSL-SFHVURJKSA-N 1 0 363.461 3.612 20 30 FHEDRO Cn1cc(C[NH2+]Cc2ccc3ncccc3c2)c(-c2ccc(C#N)cc2)n1 ZINC000181856192 567965104 /nfs/dbraw/zinc/96/51/04/567965104.db2.gz HJOUNERRWKPNKB-UHFFFAOYSA-N 1 0 353.429 3.797 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000602515857 567986615 /nfs/dbraw/zinc/98/66/15/567986615.db2.gz DJLSYQIEKMGLDH-AWEZNQCLSA-N 1 0 356.388 3.816 20 30 FHEDRO N#CC1CCC([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000602515566 567986539 /nfs/dbraw/zinc/98/65/39/567986539.db2.gz PVJOTYFVMVFTGF-UHFFFAOYSA-N 1 0 352.404 3.741 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000481486528 567988354 /nfs/dbraw/zinc/98/83/54/567988354.db2.gz QBAFBFDCHGROHB-VLIAUNLRSA-N 1 0 371.868 3.906 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000602511676 567989312 /nfs/dbraw/zinc/98/93/12/567989312.db2.gz PUKHKICAWCMDRJ-OAHLLOKOSA-N 1 0 370.415 3.954 20 30 FHEDRO CC[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)N1CCc2ccccc2C1 ZINC000602512713 567989454 /nfs/dbraw/zinc/98/94/54/567989454.db2.gz SICKMBNZOIAQTF-RXVVDRJESA-N 1 0 355.526 3.512 20 30 FHEDRO N#CC1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)CC1 ZINC000602550662 567990710 /nfs/dbraw/zinc/99/07/10/567990710.db2.gz MCGLHUNLSWZQKY-VTLFHKLASA-N 1 0 361.489 3.586 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCOc1cccc2cccnc21 ZINC000602536699 567992354 /nfs/dbraw/zinc/99/23/54/567992354.db2.gz KEAKTRSLPMKWBK-QGZVFWFLSA-N 1 0 353.466 3.692 20 30 FHEDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602539300 567992770 /nfs/dbraw/zinc/99/27/70/567992770.db2.gz IVXFIJATKFDQCI-INIZCTEOSA-N 1 0 360.498 3.670 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000602589356 567994740 /nfs/dbraw/zinc/99/47/40/567994740.db2.gz QIPYETCNKSDHIJ-HNNXBMFYSA-N 1 0 350.384 3.745 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccccc1OC(F)(F)F ZINC000602570196 567996004 /nfs/dbraw/zinc/99/60/04/567996004.db2.gz WMHSBHFBMDUNMD-CQSZACIVSA-N 1 0 356.388 3.816 20 30 FHEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000602613203 567997756 /nfs/dbraw/zinc/99/77/56/567997756.db2.gz UBQTVHCQNAVMRM-BRWVUGGUSA-N 1 0 350.304 3.866 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000602625056 567999093 /nfs/dbraw/zinc/99/90/93/567999093.db2.gz WZQCEHWECVOAFW-TZIWHRDSSA-N 1 0 355.526 3.730 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000602625053 567999098 /nfs/dbraw/zinc/99/90/98/567999098.db2.gz WZQCEHWECVOAFW-CTNGQTDRSA-N 1 0 355.526 3.730 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000602639502 568002662 /nfs/dbraw/zinc/00/26/62/568002662.db2.gz SNCVQXXBDCTYCF-AGHHOFFYSA-N 1 0 374.500 3.588 20 30 FHEDRO C[C@@H]1C[NH+](CCOC(c2ccccc2)c2ccccc2)C[C@@H](C)N1CC#N ZINC000602858099 568002919 /nfs/dbraw/zinc/00/29/19/568002919.db2.gz ZAGFEISAYNJIII-WOJBJXKFSA-N 1 0 363.505 3.711 20 30 FHEDRO COc1ccccc1-c1cc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)on1 ZINC000602713966 568019563 /nfs/dbraw/zinc/01/95/63/568019563.db2.gz DMNFSUYWCHIDGO-HNNXBMFYSA-N 1 0 355.438 3.539 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000602783380 568039520 /nfs/dbraw/zinc/03/95/20/568039520.db2.gz YYOHDXSIGBBYGH-WMZOPIPTSA-N 1 0 358.486 3.563 20 30 FHEDRO CN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602806185 568048596 /nfs/dbraw/zinc/04/85/96/568048596.db2.gz MFESXGXRMXQBHO-UYAOXDASSA-N 1 0 354.498 3.871 20 30 FHEDRO CN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602806165 568048638 /nfs/dbraw/zinc/04/86/38/568048638.db2.gz MFESXGXRMXQBHO-AZUAARDMSA-N 1 0 354.498 3.871 20 30 FHEDRO CC[C@](C)([NH3+])c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603177943 568068204 /nfs/dbraw/zinc/06/82/04/568068204.db2.gz HBMARJUMQPDXSF-NRFANRHFSA-N 1 0 359.477 3.762 20 30 FHEDRO COc1cccc(NC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)c1 ZINC000110036980 568071535 /nfs/dbraw/zinc/07/15/35/568071535.db2.gz AVVPNGMSTSRAGY-UHFFFAOYSA-N 1 0 351.450 3.522 20 30 FHEDRO CCC[C@@H]([NH3+])c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603180993 568074007 /nfs/dbraw/zinc/07/40/07/568074007.db2.gz QRRMCTUWPJRTHT-HXUWFJFHSA-N 1 0 359.477 3.978 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(N2CCCC2)c1 ZINC000181876903 568075296 /nfs/dbraw/zinc/07/52/96/568075296.db2.gz UDAJZFZIRJKZCQ-AWEZNQCLSA-N 1 0 354.479 3.509 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCNC(=O)c1ccccc1Cl ZINC000481649048 568080049 /nfs/dbraw/zinc/08/00/49/568080049.db2.gz BZNSYVXDAPAJJV-FQEVSTJZSA-N 1 0 367.880 3.999 20 30 FHEDRO C=CCc1cc(C[NH2+]CCN2CCCc3ccccc32)cc(OC)c1O ZINC000603511512 568110677 /nfs/dbraw/zinc/11/06/77/568110677.db2.gz FQGSUHRLQQZNJI-UHFFFAOYSA-N 1 0 352.478 3.672 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000603557415 568116892 /nfs/dbraw/zinc/11/68/92/568116892.db2.gz RSYCWCGJJPYWRW-FPOVZHCZSA-N 1 0 370.880 3.983 20 30 FHEDRO Cc1nc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000481798627 568127388 /nfs/dbraw/zinc/12/73/88/568127388.db2.gz GOPQMPNEZTWGRU-INIZCTEOSA-N 1 0 362.477 3.566 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000603658116 568134121 /nfs/dbraw/zinc/13/41/21/568134121.db2.gz LWIPMTUANJRGQB-FQEVSTJZSA-N 1 0 362.477 3.884 20 30 FHEDRO COCCC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000181897679 568137801 /nfs/dbraw/zinc/13/78/01/568137801.db2.gz WRNXEMSAJJCSQX-UHFFFAOYSA-N 1 0 355.526 3.709 20 30 FHEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000481862031 568163017 /nfs/dbraw/zinc/16/30/17/568163017.db2.gz UOUDCCDHIGRREK-UHFFFAOYSA-N 1 0 367.880 3.707 20 30 FHEDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1)C1(C#N)CCCCC1 ZINC000603855656 568167969 /nfs/dbraw/zinc/16/79/69/568167969.db2.gz ACLJRKNYPIHPRI-HXUWFJFHSA-N 1 0 353.510 3.768 20 30 FHEDRO CN(C(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1)C1(C#N)CCCCC1 ZINC000603855655 568167979 /nfs/dbraw/zinc/16/79/79/568167979.db2.gz ACLJRKNYPIHPRI-FQEVSTJZSA-N 1 0 353.510 3.768 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000481916157 568182542 /nfs/dbraw/zinc/18/25/42/568182542.db2.gz WZVRRHXMDMTECW-HXUWFJFHSA-N 1 0 363.461 3.813 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000568806698 568229098 /nfs/dbraw/zinc/22/90/98/568229098.db2.gz JTTBWYFCUGRDPH-LEWJYISDSA-N 1 0 374.488 3.853 20 30 FHEDRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1=O ZINC000568854598 568236938 /nfs/dbraw/zinc/23/69/38/568236938.db2.gz OCPGKYHTNNOHIQ-VLIAUNLRSA-N 1 0 369.415 3.678 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H](c1nccn1C)C(F)(F)F ZINC000569000547 568266022 /nfs/dbraw/zinc/26/60/22/568266022.db2.gz LHGXYRCTIQAVJE-SWLSCSKDSA-N 1 0 364.371 3.547 20 30 FHEDRO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000303638358 568268153 /nfs/dbraw/zinc/26/81/53/568268153.db2.gz HHOKNOYEBFHKHV-BLIXFSHQSA-N 1 0 357.473 3.626 20 30 FHEDRO CC(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604500734 568301664 /nfs/dbraw/zinc/30/16/64/568301664.db2.gz NKOWNXXUNLMSSM-OAQYLSRUSA-N 1 0 352.478 3.651 20 30 FHEDRO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(OC)cc1 ZINC000604492828 568303646 /nfs/dbraw/zinc/30/36/46/568303646.db2.gz AZYMNLUEFDOQRO-UHFFFAOYSA-N 1 0 357.498 3.592 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520760 568308044 /nfs/dbraw/zinc/30/80/44/568308044.db2.gz MHISSABTTLGMJM-RPUPUWCGSA-N 1 0 371.525 3.529 20 30 FHEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569240119 568317346 /nfs/dbraw/zinc/31/73/46/568317346.db2.gz JYYYAVPXEDXLLU-ARFHVFGLSA-N 1 0 350.466 3.711 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000604608346 568326208 /nfs/dbraw/zinc/32/62/08/568326208.db2.gz NXENMTZENZOUEV-RTWAWAEBSA-N 1 0 369.530 3.945 20 30 FHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031619645 568334856 /nfs/dbraw/zinc/33/48/56/568334856.db2.gz ASTXLRROZRUWMI-QGZVFWFLSA-N 1 0 363.461 3.950 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604827595 568376719 /nfs/dbraw/zinc/37/67/19/568376719.db2.gz WVJLQZRAKVAKDU-LJQANCHMSA-N 1 0 361.530 3.759 20 30 FHEDRO C=CC[C@@H](C)NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000604904124 568385657 /nfs/dbraw/zinc/38/56/57/568385657.db2.gz PSRDCEDCGRGGIM-CQSZACIVSA-N 1 0 350.894 3.568 20 30 FHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000569527984 568405518 /nfs/dbraw/zinc/40/55/18/568405518.db2.gz FOUYMNSJJGNTBR-GOSISDBHSA-N 1 0 357.841 3.518 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(C(F)(F)F)c1 ZINC000569751650 568419911 /nfs/dbraw/zinc/41/99/11/568419911.db2.gz RRUHBDFKLQZMOQ-CQSZACIVSA-N 1 0 362.355 3.827 20 30 FHEDRO Cc1noc(C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)c2ccccc2)n1 ZINC000365289922 568427833 /nfs/dbraw/zinc/42/78/33/568427833.db2.gz HKQZVMHXZZCTSW-SNCIUUNGSA-N 1 0 358.445 3.875 20 30 FHEDRO COc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)ccc1C ZINC000570242492 568465552 /nfs/dbraw/zinc/46/55/52/568465552.db2.gz TYFQTPALBRFERO-UHFFFAOYSA-N 1 0 351.450 3.750 20 30 FHEDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000570597805 568490138 /nfs/dbraw/zinc/49/01/38/568490138.db2.gz XYYAPYLGPXSOLG-IERDGZPVSA-N 1 0 363.461 3.802 20 30 FHEDRO CC(C)([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000570917940 568688278 /nfs/dbraw/zinc/68/82/78/568688278.db2.gz JWVINJKEEJSBFE-IBGZPJMESA-N 1 0 369.415 3.857 20 30 FHEDRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824761954 608463490 /nfs/dbraw/zinc/46/34/90/608463490.db2.gz DIAFHOQSXDBCRK-OAHLLOKOSA-N 1 0 356.433 3.589 20 30 FHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC[C@@H]4[NH2+]C[C@@H]43)cnc2Cl)cc1 ZINC001164448367 719003621 /nfs/dbraw/zinc/00/36/21/719003621.db2.gz HQHOJAHJICAFAS-IRXDYDNUSA-N 1 0 374.822 3.759 20 30 FHEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc2cc(F)c(F)cc2c(Cl)c1C#N ZINC001164636341 719258741 /nfs/dbraw/zinc/25/87/41/719258741.db2.gz SDWIHSOHEQSVAC-VHSXEESVSA-N 1 0 350.800 3.567 20 30 FHEDRO Cc1cc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1C#N ZINC001164853959 720926951 /nfs/dbraw/zinc/92/69/51/720926951.db2.gz CSKXUEJHFRAWSF-CQSZACIVSA-N 1 0 372.904 3.533 20 30 FHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C#N)c3ccccc3n1)[C@@H]2C ZINC001164857191 721002267 /nfs/dbraw/zinc/00/22/67/721002267.db2.gz CVEAEVYCLVANSU-MRXNPFEDSA-N 1 0 374.492 3.724 20 30 FHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c12 ZINC001164775085 721303718 /nfs/dbraw/zinc/30/37/18/721303718.db2.gz OTCITUOEDPIURN-UHFFFAOYSA-N 1 0 366.896 3.990 20 30 FHEDRO CN(CC1CC[NH+](C)CC1)c1nc2cc(F)c(F)cc2c(Cl)c1C#N ZINC001165044550 721939537 /nfs/dbraw/zinc/93/95/37/721939537.db2.gz MWLJXULJOHDREZ-UHFFFAOYSA-N 1 0 364.827 3.816 20 30 FHEDRO N#Cc1ccc(C(F)(F)N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1Cl ZINC001165047523 721965673 /nfs/dbraw/zinc/96/56/73/721965673.db2.gz UTRIRXOFULQBLU-OAHLLOKOSA-N 1 0 368.859 3.996 20 30 FHEDRO Cc1cc(C#N)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C ZINC001164992860 722197966 /nfs/dbraw/zinc/19/79/66/722197966.db2.gz BIQAKQPIJDZSKA-QFIPXVFZSA-N 1 0 364.468 3.954 20 30 FHEDRO C=CCC(C)(C)CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000432093518 945063193 /nfs/dbraw/zinc/06/31/93/945063193.db2.gz KUXDRIOUJPVPHW-QZTJIDSGSA-N 1 0 373.541 3.697 20 30 FHEDRO COc1ccc(C#N)cc1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000544042189 937110384 /nfs/dbraw/zinc/11/03/84/937110384.db2.gz UDHXXLPWKLFJED-UHFFFAOYSA-N 1 0 353.441 3.825 20 30 FHEDRO N#CCSc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)c1 ZINC000079542442 937124969 /nfs/dbraw/zinc/12/49/69/937124969.db2.gz MSACYVAJHDOJPS-GOSISDBHSA-N 1 0 357.523 3.783 20 30 FHEDRO N#CCSc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)c1 ZINC000079542434 937125044 /nfs/dbraw/zinc/12/50/44/937125044.db2.gz MSACYVAJHDOJPS-SFHVURJKSA-N 1 0 357.523 3.783 20 30 FHEDRO C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000579691034 927105516 /nfs/dbraw/zinc/10/55/16/927105516.db2.gz RYPJHWKDGGKJIR-HRAATJIYSA-N 1 0 362.477 3.728 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000121253696 927237863 /nfs/dbraw/zinc/23/78/63/927237863.db2.gz KIXNHAGYSUAEPH-UHFFFAOYSA-N 1 0 373.497 3.804 20 30 FHEDRO C=CCCn1cc(CN2CC(Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000668231466 927367392 /nfs/dbraw/zinc/36/73/92/927367392.db2.gz ZYRHMQCMOOTSHG-UHFFFAOYSA-N 1 0 350.388 3.548 20 30 FHEDRO C=CCC1(NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CCCCC1 ZINC000458398520 937161833 /nfs/dbraw/zinc/16/18/33/937161833.db2.gz FIOFYOVJMDEHQF-OALUTQOASA-N 1 0 365.562 3.702 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c2ccccc12 ZINC000430181311 927598170 /nfs/dbraw/zinc/59/81/70/927598170.db2.gz VJKPZEHZHGFORJ-SFHVURJKSA-N 1 0 359.429 3.768 20 30 FHEDRO Cc1nc(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)ccc1C#N ZINC000535805020 927598578 /nfs/dbraw/zinc/59/85/78/927598578.db2.gz FKZWBZHLDNRQRT-UHFFFAOYSA-N 1 0 362.477 3.788 20 30 FHEDRO Cc1ccc2nc(-n3ccnc3[C@@H]3CCC[NH2+]C3)c(C#N)c(Cl)c2c1 ZINC001167060647 927785131 /nfs/dbraw/zinc/78/51/31/927785131.db2.gz WEDSHWPKBLNBLD-CYBMUJFWSA-N 1 0 351.841 3.721 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1 ZINC000579834097 928330149 /nfs/dbraw/zinc/33/01/49/928330149.db2.gz PGOLLBGHZWRLMU-RTWAWAEBSA-N 1 0 362.477 3.689 20 30 FHEDRO COc1cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)ccc1OCc1cccc(C#N)c1 ZINC000510107654 928333217 /nfs/dbraw/zinc/33/32/17/928333217.db2.gz ANKJIJZTWKZYKJ-BGYRXZFFSA-N 1 0 366.461 3.755 20 30 FHEDRO COC(=O)c1cccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1C#N ZINC000535963716 937239328 /nfs/dbraw/zinc/23/93/28/937239328.db2.gz NANIDKMJVANFJP-RHSMWYFYSA-N 1 0 352.409 3.862 20 30 FHEDRO C=CCc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC000064820976 928855354 /nfs/dbraw/zinc/85/53/54/928855354.db2.gz CCQRQGGRYXYJBS-INIZCTEOSA-N 1 0 374.525 3.673 20 30 FHEDRO C=C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000155115596 937283608 /nfs/dbraw/zinc/28/36/08/937283608.db2.gz KOVPBWFSSKAWAY-OAQYLSRUSA-N 1 0 361.489 3.808 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000155303322 937302619 /nfs/dbraw/zinc/30/26/19/937302619.db2.gz DHXBTKHLFCQBNY-MOPGFXCFSA-N 1 0 364.489 3.947 20 30 FHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000157740811 929089863 /nfs/dbraw/zinc/08/98/63/929089863.db2.gz YPOMFWHDDOXQRD-UHFFFAOYSA-N 1 0 358.486 3.589 20 30 FHEDRO CC[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(C#N)cc1 ZINC000278173328 937300438 /nfs/dbraw/zinc/30/04/38/937300438.db2.gz CNNFVNUCMAGQRX-HNNXBMFYSA-N 1 0 359.355 3.861 20 30 FHEDRO C=CCc1cc(C[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)cc(OC)c1O ZINC000657747741 937311804 /nfs/dbraw/zinc/31/18/04/937311804.db2.gz RRMIBSMYHFBMNI-RTWAWAEBSA-N 1 0 355.478 3.977 20 30 FHEDRO COc1ccc(C[C@H](C)C[N@H+](C)CCOc2ccc(C#N)cc2OC)cc1 ZINC000535625577 929227301 /nfs/dbraw/zinc/22/73/01/929227301.db2.gz DYLOQBIAGWLYMZ-KRWDZBQOSA-N 1 0 368.477 3.765 20 30 FHEDRO COc1ccc(C[NH2+]CC[C@](C)(O)c2ccccc2)cc1OCCCC#N ZINC000275034642 929273084 /nfs/dbraw/zinc/27/30/84/929273084.db2.gz DIOJNLIILMNKGN-QFIPXVFZSA-N 1 0 368.477 3.765 20 30 FHEDRO C=CCCC[N@@H+](CCC)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001209160202 929390897 /nfs/dbraw/zinc/39/08/97/929390897.db2.gz JATIPGVIOJNVNY-AWEZNQCLSA-N 1 0 352.500 3.848 20 30 FHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CSCC[NH+](C)C)c1C#N ZINC000157757391 929462235 /nfs/dbraw/zinc/46/22/35/929462235.db2.gz NSUFEGQQMNTKLL-UHFFFAOYSA-N 1 0 362.543 3.715 20 30 FHEDRO N#Cc1cnc2c(F)ccc(F)c2c1N1CCN(Cc2ccsc2)CC1 ZINC000610245196 929530420 /nfs/dbraw/zinc/53/04/20/929530420.db2.gz GOYQFBGHUHMGFM-UHFFFAOYSA-N 1 0 370.428 3.768 20 30 FHEDRO C#CCCC[NH+]1CCC2(C[C@@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC001209266855 929629169 /nfs/dbraw/zinc/62/91/69/929629169.db2.gz DWRDZFCDHYYCRJ-LJQANCHMSA-N 1 0 364.533 3.980 20 30 FHEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000579967355 929647631 /nfs/dbraw/zinc/64/76/31/929647631.db2.gz FHAGJGMQBWRNIO-QGZVFWFLSA-N 1 0 357.498 3.819 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000023677099 929692307 /nfs/dbraw/zinc/69/23/07/929692307.db2.gz PKJRIONZGVWXNS-IERDGZPVSA-N 1 0 350.462 3.528 20 30 FHEDRO CCC[N@H+](CCc1ccccn1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000580006155 929803746 /nfs/dbraw/zinc/80/37/46/929803746.db2.gz NPQYHDRAORNWLV-UHFFFAOYSA-N 1 0 359.477 3.808 20 30 FHEDRO CC[NH+](CC)CCNC(=O)c1ccc(Nc2cc(C#N)ccc2C)cc1 ZINC001210501907 929868231 /nfs/dbraw/zinc/86/82/31/929868231.db2.gz ZVVLOZBKOUIFCV-UHFFFAOYSA-N 1 0 350.466 3.682 20 30 FHEDRO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)ccc1OCC[NH+](C)C ZINC000412420721 929885450 /nfs/dbraw/zinc/88/54/50/929885450.db2.gz SAXOMVRDMNYJJV-VQTJNVASSA-N 1 0 363.461 3.549 20 30 FHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(F)cc(C#N)cc1F ZINC000187316994 929900836 /nfs/dbraw/zinc/90/08/36/929900836.db2.gz FXVUVUUGHBNHIN-LJQANCHMSA-N 1 0 371.431 3.723 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(C#N)c1 ZINC000610343323 930039466 /nfs/dbraw/zinc/03/94/66/930039466.db2.gz DGVXNLAVHZBERW-KQHCNPOMSA-N 1 0 351.494 3.682 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1 ZINC000610346245 930046539 /nfs/dbraw/zinc/04/65/39/930046539.db2.gz QJEHOWBOMRKMTF-QWHCGFSZSA-N 1 0 372.266 3.999 20 30 FHEDRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610345826 930050447 /nfs/dbraw/zinc/05/04/47/930050447.db2.gz YNVJCHIDZKWDER-KRWDZBQOSA-N 1 0 362.477 3.583 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348944 930065498 /nfs/dbraw/zinc/06/54/98/930065498.db2.gz CZKBNIDURYDECO-XGHQBKJUSA-N 1 0 362.477 3.754 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000610351858 930090374 /nfs/dbraw/zinc/09/03/74/930090374.db2.gz KSVWOBNROKTQFS-DLBZAZTESA-N 1 0 356.514 3.819 20 30 FHEDRO Cn1cc([C@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CC2(C)C)cn1 ZINC000583389165 937398108 /nfs/dbraw/zinc/39/81/08/937398108.db2.gz DBNNDTVYNGTOHF-MRXNPFEDSA-N 1 0 373.298 3.680 20 30 FHEDRO C=CCO[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001266577069 930258292 /nfs/dbraw/zinc/25/82/92/930258292.db2.gz VRRRIVGFVSABND-BHIFYINESA-N 1 0 370.537 3.584 20 30 FHEDRO CN(CC#Cc1cccc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000155721875 930581943 /nfs/dbraw/zinc/58/19/43/930581943.db2.gz BMIWWBHSJPWBIB-UHFFFAOYSA-N 1 0 367.924 3.725 20 30 FHEDRO C=CC[N@H+](CC1CCCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC001167391331 930614986 /nfs/dbraw/zinc/61/49/86/930614986.db2.gz HREMIVWMTHUVPH-WIYYLYMNSA-N 1 0 366.546 3.815 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cccc(C#N)c1 ZINC000471574001 930632791 /nfs/dbraw/zinc/63/27/91/930632791.db2.gz LQGBCOOYSLNPKT-LFUKPOHLSA-N 1 0 362.477 3.836 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(F)cc1C#N ZINC000083577111 930661245 /nfs/dbraw/zinc/66/12/45/930661245.db2.gz QATBUZCZOKMODH-MRXNPFEDSA-N 1 0 366.440 3.826 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000579749088 930932708 /nfs/dbraw/zinc/93/27/08/930932708.db2.gz MPKLULQGMAFVPE-FOIQADDNSA-N 1 0 366.465 3.688 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000580630949 930948713 /nfs/dbraw/zinc/94/87/13/930948713.db2.gz OXXHXEHZEYVQHO-UHFFFAOYSA-N 1 0 353.426 3.501 20 30 FHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000471611049 931041792 /nfs/dbraw/zinc/04/17/92/931041792.db2.gz ISBYFVFTPUJLOT-MRXNPFEDSA-N 1 0 362.495 3.765 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175840275 931090215 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C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178036859 932173309 /nfs/dbraw/zinc/17/33/09/932173309.db2.gz YYMONJIRIVJJEI-QGZVFWFLSA-N 1 0 365.452 3.535 20 30 FHEDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000178059116 932244566 /nfs/dbraw/zinc/24/45/66/932244566.db2.gz QULWCCQCTNIEBZ-GOSISDBHSA-N 1 0 351.450 3.652 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)cc1C ZINC000126678648 932335635 /nfs/dbraw/zinc/33/56/35/932335635.db2.gz YMSRRXVFRIHYDU-NRFANRHFSA-N 1 0 361.489 3.851 20 30 FHEDRO CC(C)[NH+](CCS[C@H]1CCN(c2sccc2C#N)C1=O)C(C)C ZINC000160981075 932363621 /nfs/dbraw/zinc/36/36/21/932363621.db2.gz VBOGHQYOROHKKN-HNNXBMFYSA-N 1 0 351.541 3.577 20 30 FHEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000477189780 932380054 /nfs/dbraw/zinc/38/00/54/932380054.db2.gz PKEXGKKVRYZQMC-YADHBBJMSA-N 1 0 361.489 3.833 20 30 FHEDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000127252524 932474639 /nfs/dbraw/zinc/47/46/39/932474639.db2.gz NMBOSXBOLCDYHO-KRWDZBQOSA-N 1 0 368.506 3.679 20 30 FHEDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(Br)c1 ZINC000581738395 932581708 /nfs/dbraw/zinc/58/17/08/932581708.db2.gz KMSYRSGBTZXDOW-ZDUSSCGKSA-N 1 0 372.266 3.919 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001167482155 932615386 /nfs/dbraw/zinc/61/53/86/932615386.db2.gz GGCVIUDECOMMEH-HXUWFJFHSA-N 1 0 361.489 3.882 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001167482154 932621414 /nfs/dbraw/zinc/62/14/14/932621414.db2.gz GGCVIUDECOMMEH-FQEVSTJZSA-N 1 0 361.489 3.882 20 30 FHEDRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000548212072 932636820 /nfs/dbraw/zinc/63/68/20/932636820.db2.gz WMVGUWZXPJQWIJ-WMZOPIPTSA-N 1 0 369.490 3.847 20 30 FHEDRO C=CCOc1ccc(Br)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000458027668 932697620 /nfs/dbraw/zinc/69/76/20/932697620.db2.gz FILSRCLLEJHOCX-UHFFFAOYSA-N 1 0 367.287 3.684 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1 ZINC000178202419 932872661 /nfs/dbraw/zinc/87/26/61/932872661.db2.gz RIIQNUIKQMYFIP-INIZCTEOSA-N 1 0 350.890 3.871 20 30 FHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)cc1OC ZINC000051284054 932900199 /nfs/dbraw/zinc/90/01/99/932900199.db2.gz RXJILPRYRXPIDM-LJQANCHMSA-N 1 0 352.434 3.791 20 30 FHEDRO O=C(NCC[NH+]1CCCCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000328859401 933034555 /nfs/dbraw/zinc/03/45/55/933034555.db2.gz VASTVZBBVRGGDL-GOSISDBHSA-N 1 0 359.470 3.634 20 30 FHEDRO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1)NC1CCOCC1 ZINC000328906824 933158028 /nfs/dbraw/zinc/15/80/28/933158028.db2.gz BRAVCNOLNHZUKP-UHFFFAOYSA-N 1 0 374.481 3.686 20 30 FHEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000510577920 933242560 /nfs/dbraw/zinc/24/25/60/933242560.db2.gz IIAKNDWSWKWCEI-QFIPXVFZSA-N 1 0 361.489 3.662 20 30 FHEDRO CC(C)C[C@H](CNC(=O)NCC1(CC#N)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000430843428 933304024 /nfs/dbraw/zinc/30/40/24/933304024.db2.gz XXCCEFJBXUBMGZ-IEBWSBKVSA-N 1 0 356.514 3.745 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CN1C(=O)CN([C@H](C)c2ccccc2)C1=O)C(C)C ZINC000430906906 933391336 /nfs/dbraw/zinc/39/13/36/933391336.db2.gz OUQHWEOLVFTGJC-QUCCMNQESA-N 1 0 369.509 3.710 20 30 FHEDRO C[C@H]1C[C@H](CCNC(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000510675422 933397203 /nfs/dbraw/zinc/39/72/03/933397203.db2.gz ONGGIQSCKJZMCF-PXNSSMCTSA-N 1 0 362.477 3.980 20 30 FHEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000510680659 933405489 /nfs/dbraw/zinc/40/54/89/933405489.db2.gz LBGILEXVMSEIDB-MRXNPFEDSA-N 1 0 364.449 3.814 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610584825 933428182 /nfs/dbraw/zinc/42/81/82/933428182.db2.gz GPPGNWWXQWPIEM-KRWDZBQOSA-N 1 0 366.440 3.731 20 30 FHEDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCn2cncc2C1 ZINC000328958749 933433798 /nfs/dbraw/zinc/43/37/98/933433798.db2.gz OOZQMSRCAWALST-UMQXSMKFSA-N 1 0 364.493 3.598 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000510692685 933439186 /nfs/dbraw/zinc/43/91/86/933439186.db2.gz HCWWFXITWLTYAR-CVEARBPZSA-N 1 0 358.486 3.587 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)ccc1OC ZINC000510694441 933440539 /nfs/dbraw/zinc/44/05/39/933440539.db2.gz XYGOUBNDGKLIAK-SFHVURJKSA-N 1 0 355.482 3.763 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc(C#N)cs1 ZINC000247453065 933559058 /nfs/dbraw/zinc/55/90/58/933559058.db2.gz PAJIZQNZNSLFEQ-QWHZDKJVSA-N 1 0 353.491 3.506 20 30 FHEDRO Cc1nc(CON=C(N)c2ccccc2C[NH+]2CCCCC2)sc1C ZINC000176124234 933748495 /nfs/dbraw/zinc/74/84/95/933748495.db2.gz WZJRPUXRJQHVBU-UHFFFAOYSA-N 1 0 358.511 3.583 20 30 FHEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000610718037 933928531 /nfs/dbraw/zinc/92/85/31/933928531.db2.gz KIKWJXCVUUOMPC-CVEARBPZSA-N 1 0 360.527 3.934 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC#Cc1cccc(F)c1 ZINC000510910988 934013964 /nfs/dbraw/zinc/01/39/64/934013964.db2.gz DQSPWVKVDHBATA-UHFFFAOYSA-N 1 0 367.468 3.517 20 30 FHEDRO N#CCCC[C@@H](NC(=O)NCC[C@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000891919676 934037675 /nfs/dbraw/zinc/03/76/75/934037675.db2.gz ZTCUURBHGWIBTQ-LEWJYISDSA-N 1 0 364.493 3.681 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(O[C@H](C)C(=O)OC)cc1)Cc1cccc(C#N)c1 ZINC000092504597 934066417 /nfs/dbraw/zinc/06/64/17/934066417.db2.gz BJJWDASISDRJBP-QGZVFWFLSA-N 1 0 364.445 3.687 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000092484550 934069893 /nfs/dbraw/zinc/06/98/93/934069893.db2.gz JCTRUVPZQJYRGI-UHFFFAOYSA-N 1 0 356.491 3.707 20 30 FHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C#Cc1ccccc1 ZINC000176166174 934081399 /nfs/dbraw/zinc/08/13/99/934081399.db2.gz VRJNSLFXVSDNQS-UHFFFAOYSA-N 1 0 350.487 3.534 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000548487346 934149762 /nfs/dbraw/zinc/14/97/62/934149762.db2.gz XIIFMOVVRQUPGN-ABSDTBQOSA-N 1 0 357.498 3.746 20 30 FHEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092730706 934150881 /nfs/dbraw/zinc/15/08/81/934150881.db2.gz KRDZDLDBASIDEH-ICSRJNTNSA-N 1 0 371.525 3.886 20 30 FHEDRO C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610774853 934158349 /nfs/dbraw/zinc/15/83/49/934158349.db2.gz YCZUIJYRONVLMM-UTKZUKDTSA-N 1 0 362.477 3.535 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176137743 934300347 /nfs/dbraw/zinc/30/03/47/934300347.db2.gz UNSCXLCISKASPN-XMSQKQJNSA-N 1 0 361.489 3.660 20 30 FHEDRO CC1CC[NH+]([C@H](C/N=C/c2ccc(O)c(O)c2O)c2cccs2)CC1 ZINC000022769492 934355931 /nfs/dbraw/zinc/35/59/31/934355931.db2.gz JNROYZIDHWZTEH-PZUDMAOCSA-N 1 0 360.479 3.757 20 30 FHEDRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610813465 934476198 /nfs/dbraw/zinc/47/61/98/934476198.db2.gz IABWLYQHIXLJPV-OAHLLOKOSA-N 1 0 354.523 3.681 20 30 FHEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000610813369 934481026 /nfs/dbraw/zinc/48/10/26/934481026.db2.gz DUGFTWUVZAFGME-JOCHJYFZSA-N 1 0 367.468 3.696 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610812941 934485319 /nfs/dbraw/zinc/48/53/19/934485319.db2.gz QGRKVLMCYWNCGE-CQSZACIVSA-N 1 0 370.478 3.962 20 30 FHEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610813010 934486463 /nfs/dbraw/zinc/48/64/63/934486463.db2.gz VAWYFWLSGSSCJA-ZDUSSCGKSA-N 1 0 358.486 3.896 20 30 FHEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000610829972 934503119 /nfs/dbraw/zinc/50/31/19/934503119.db2.gz VDJBKKXEADKUCT-HUUCEWRRSA-N 1 0 367.449 3.643 20 30 FHEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cccc(Oc3ccccc3)c2)CCOCC1 ZINC000600720101 934510294 /nfs/dbraw/zinc/51/02/94/934510294.db2.gz XMMUCPCVSAHIGJ-IBGZPJMESA-N 1 0 366.461 3.640 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1cccc(C#N)c1 ZINC000610856092 934520831 /nfs/dbraw/zinc/52/08/31/934520831.db2.gz HOCCQHDDNDOWNT-NEPJUHHUSA-N 1 0 373.359 3.558 20 30 FHEDRO Cc1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1C[NH+](C)C ZINC000458266804 934570066 /nfs/dbraw/zinc/57/00/66/934570066.db2.gz OUNZZUBFDSMPEO-UHFFFAOYSA-N 1 0 353.441 3.984 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000610907355 934612033 /nfs/dbraw/zinc/61/20/33/934612033.db2.gz OFGWRNYMLVCAEF-UHFFFAOYSA-N 1 0 351.450 3.840 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1C#N ZINC000610936783 934635021 /nfs/dbraw/zinc/63/50/21/934635021.db2.gz CIBWNGVSGPFRAA-LJQANCHMSA-N 1 0 370.497 3.828 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000610967361 934663356 /nfs/dbraw/zinc/66/33/56/934663356.db2.gz DSHJXWGMKRTFSE-OFNKIYASSA-N 1 0 362.473 3.644 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000458319807 934686880 /nfs/dbraw/zinc/68/68/80/934686880.db2.gz LFVRTAHRUQGADY-RRFJBIMHSA-N 1 0 361.452 3.788 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000610986426 934689557 /nfs/dbraw/zinc/68/95/57/934689557.db2.gz PRYNRMAGYUCYJY-LAUBAEHRSA-N 1 0 374.488 3.510 20 30 FHEDRO C=CCSCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000236638338 934756485 /nfs/dbraw/zinc/75/64/85/934756485.db2.gz KXDNBGGANKGDGB-UHFFFAOYSA-N 1 0 352.301 3.848 20 30 FHEDRO C[C@@H](Nc1cc(C#N)c2ccccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380467977 934803873 /nfs/dbraw/zinc/80/38/73/934803873.db2.gz QLFSHINAMRQCPC-IEBWSBKVSA-N 1 0 356.473 3.851 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(CCC(C)C)c2CC)CC1 ZINC000277227665 934816145 /nfs/dbraw/zinc/81/61/45/934816145.db2.gz JQNSAHOTCPPABQ-UHFFFAOYSA-N 1 0 361.534 3.654 20 30 FHEDRO Cc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)N2CCOCC2)c1 ZINC000538508502 934859929 /nfs/dbraw/zinc/85/99/29/934859929.db2.gz PGTCLFMCANPURH-VGOFRKELSA-N 1 0 367.468 3.730 20 30 FHEDRO CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000329032899 934919064 /nfs/dbraw/zinc/91/90/64/934919064.db2.gz XQANZQDBQKYGPX-YLJYHZDGSA-N 1 0 371.525 3.673 20 30 FHEDRO CN(C(=O)c1ccc(C#N)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000548612150 935003783 /nfs/dbraw/zinc/00/37/83/935003783.db2.gz FTGSHZVQQUTEJP-UHFFFAOYSA-N 1 0 367.880 3.948 20 30 FHEDRO CCCNC(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)c1 ZINC000104169228 935004311 /nfs/dbraw/zinc/00/43/11/935004311.db2.gz PDQGMSXATWNALG-UHFFFAOYSA-N 1 0 368.481 3.540 20 30 FHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000071953233 935076776 /nfs/dbraw/zinc/07/67/76/935076776.db2.gz UZPONKBHFLJMAV-KRWDZBQOSA-N 1 0 371.500 3.811 20 30 FHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000157520693 935085348 /nfs/dbraw/zinc/08/53/48/935085348.db2.gz GNXKRIVPXLURTM-TZMCWYRMSA-N 1 0 371.485 3.706 20 30 FHEDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(O)cc2)cc1OCCCC#N ZINC000105447104 935086812 /nfs/dbraw/zinc/08/68/12/935086812.db2.gz ZWCLFNZNFLOENP-MRXNPFEDSA-N 1 0 354.450 3.804 20 30 FHEDRO C=CCCn1cc(CNCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000657313192 935115654 /nfs/dbraw/zinc/11/56/54/935115654.db2.gz PMKUWGBXAJKXHJ-RTBURBONSA-N 1 0 367.541 3.622 20 30 FHEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000106245343 935163175 /nfs/dbraw/zinc/16/31/75/935163175.db2.gz GHZAQAACIKZNMH-UHFFFAOYSA-N 1 0 357.498 3.508 20 30 FHEDRO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3ccc4ccccc4c3)CC2)c1C#N ZINC000472148757 935203374 /nfs/dbraw/zinc/20/33/74/935203374.db2.gz AKNYCHDNGASZQV-QGZVFWFLSA-N 1 0 359.477 3.637 20 30 FHEDRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC000892173023 935218816 /nfs/dbraw/zinc/21/88/16/935218816.db2.gz RNEWLFXDZPORDR-UHFFFAOYSA-N 1 0 368.525 3.710 20 30 FHEDRO Cc1nn(C)c(N2CC[NH+](CCCc3cccc4ccccc43)CC2)c1C#N ZINC000472155138 935224529 /nfs/dbraw/zinc/22/45/29/935224529.db2.gz JNCTVFOYSONQAG-UHFFFAOYSA-N 1 0 373.504 3.508 20 30 FHEDRO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3ccc(C(C)C)cc3)CC2)c1C#N ZINC000472156651 935230308 /nfs/dbraw/zinc/23/03/08/935230308.db2.gz GFYQWRKKRUUZPS-QGZVFWFLSA-N 1 0 351.498 3.607 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(O)c1OC ZINC000892202338 935327178 /nfs/dbraw/zinc/32/71/78/935327178.db2.gz QOKWWLQBPANNRF-MSOLQXFVSA-N 1 0 352.434 3.681 20 30 FHEDRO COc1cccc(C=Nc2ccc(CC[NH+]3CCSCC3)cc2)c1O ZINC000255492631 935332629 /nfs/dbraw/zinc/33/26/29/935332629.db2.gz OQWLSALADTUFPO-UHFFFAOYSA-N 1 0 356.491 3.743 20 30 FHEDRO CC(C)(C)c1ncc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cn1 ZINC000551805450 935353425 /nfs/dbraw/zinc/35/34/25/935353425.db2.gz TWBODQPUVTXGGV-UHFFFAOYSA-N 1 0 365.481 3.521 20 30 FHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(CF)CC2)sc2c1CCCCC2 ZINC000451390259 935373470 /nfs/dbraw/zinc/37/34/70/935373470.db2.gz YTNFIRUBHDAIPP-UHFFFAOYSA-N 1 0 363.502 3.899 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000119962196 935373642 /nfs/dbraw/zinc/37/36/42/935373642.db2.gz HPGKXSHOPMHIEY-SFHVURJKSA-N 1 0 370.497 3.685 20 30 FHEDRO CCOC(=O)c1cnn(C2CC[NH+](CCCCC(C)(C)C#N)CC2)c1C ZINC000375677874 935388530 /nfs/dbraw/zinc/38/85/30/935388530.db2.gz IWFZHWSGCHJQIR-UHFFFAOYSA-N 1 0 360.502 3.725 20 30 FHEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000118394291 935401410 /nfs/dbraw/zinc/40/14/10/935401410.db2.gz KKNLQVSPWPBBAT-MRXNPFEDSA-N 1 0 354.498 3.716 20 30 FHEDRO CC(C)CC(C)(C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000435519479 935462710 /nfs/dbraw/zinc/46/27/10/935462710.db2.gz ZQPFTLITONYOSW-UHFFFAOYSA-N 1 0 358.530 3.704 20 30 FHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H](CCCC#N)c3ccccc3)C2)C1 ZINC000458854167 945102391 /nfs/dbraw/zinc/10/23/91/945102391.db2.gz XBOHXRPWTYMVEU-CTNGQTDRSA-N 1 0 354.498 3.549 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000414899314 945104377 /nfs/dbraw/zinc/10/43/77/945104377.db2.gz FJCMLNMRESZPLP-MJGOQNOKSA-N 1 0 368.868 3.854 20 30 FHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC001167562667 935513454 /nfs/dbraw/zinc/51/34/54/935513454.db2.gz ORUGJJGGOKVGEF-QAPCUYQASA-N 1 0 373.497 3.692 20 30 FHEDRO CCC[N@H+](CC)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000472219142 935542597 /nfs/dbraw/zinc/54/25/97/935542597.db2.gz GGDBJDASROXZRK-UHFFFAOYSA-N 1 0 351.450 3.812 20 30 FHEDRO CC[N@H+](CC#Cc1ccccc1Cl)Cc1ccc(C(=O)N(C)C)cc1 ZINC000135037906 935548376 /nfs/dbraw/zinc/54/83/76/935548376.db2.gz KTQGXUKYUXLZFO-UHFFFAOYSA-N 1 0 354.881 3.915 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(Cc3ccc(C)cc3)n2)CC1 ZINC000507295037 945110729 /nfs/dbraw/zinc/11/07/29/945110729.db2.gz KDOKINWBVZQKPU-UHFFFAOYSA-N 1 0 369.534 3.813 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000152489847 935679629 /nfs/dbraw/zinc/67/96/29/935679629.db2.gz MCWANNKGMFCRJS-HXUWFJFHSA-N 1 0 369.509 3.640 20 30 FHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511122176 935689213 /nfs/dbraw/zinc/68/92/13/935689213.db2.gz MVPICWMMBKAKQH-YWZLYKJASA-N 1 0 363.452 3.556 20 30 FHEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000511124712 935700519 /nfs/dbraw/zinc/70/05/19/935700519.db2.gz UFGQPNHXNGZHQY-WBVHZDCISA-N 1 0 352.400 3.672 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(Cc3ccccc3F)CC2)c1 ZINC000562047827 935702338 /nfs/dbraw/zinc/70/23/38/935702338.db2.gz XTAXDJPUIVEFBA-UHFFFAOYSA-N 1 0 365.452 3.981 20 30 FHEDRO Cc1csc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C#N ZINC000563355179 935704387 /nfs/dbraw/zinc/70/43/87/935704387.db2.gz IJEJLPMRHZGKKW-UHFFFAOYSA-N 1 0 354.479 3.846 20 30 FHEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001167577846 935752215 /nfs/dbraw/zinc/75/22/15/935752215.db2.gz WFMRYNSZUHPCDZ-WMLDXEAASA-N 1 0 369.292 3.624 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473856113 945125196 /nfs/dbraw/zinc/12/51/96/945125196.db2.gz UWEPUPQXJJHWNC-XZOQPEGZSA-N 1 0 370.537 3.730 20 30 FHEDRO CN1CC[C@H]([NH2+]CCOc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562053644 935762798 /nfs/dbraw/zinc/76/27/98/935762798.db2.gz CORXVZUYOJVOQM-AZUAARDMSA-N 1 0 373.859 3.765 20 30 FHEDRO COc1ccc(COCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000562071608 935781707 /nfs/dbraw/zinc/78/17/07/935781707.db2.gz HUHGCTBTEIKLGO-UHFFFAOYSA-N 1 0 364.367 3.892 20 30 FHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(C#N)ccc2Cl)c1 ZINC000511144726 935789856 /nfs/dbraw/zinc/78/98/56/935789856.db2.gz KKWAUACVWAZQAQ-UHFFFAOYSA-N 1 0 355.869 3.724 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473856106 945125014 /nfs/dbraw/zinc/12/50/14/945125014.db2.gz UWEPUPQXJJHWNC-DHIUTWEWSA-N 1 0 370.537 3.730 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000657453988 935812074 /nfs/dbraw/zinc/81/20/74/935812074.db2.gz CBUPYCHBDMVOJN-KOMQPUFPSA-N 1 0 350.388 3.909 20 30 FHEDRO C[N@H+](CCCNC(=O)NC1(c2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000479398460 935835430 /nfs/dbraw/zinc/83/54/30/935835430.db2.gz XRRBKRZUSOGTBU-UHFFFAOYSA-N 1 0 354.498 3.501 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]CCc1ccc(OC)c(OC(F)F)c1 ZINC000237242165 935866865 /nfs/dbraw/zinc/86/68/65/935866865.db2.gz AAAZOOBPKSAXCZ-UHFFFAOYSA-N 1 0 361.388 3.641 20 30 FHEDRO C[NH+](C)CCc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000582675015 935929249 /nfs/dbraw/zinc/92/92/49/935929249.db2.gz UFXWMTPGFGZRDA-VXKWHMMOSA-N 1 0 361.489 3.703 20 30 FHEDRO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000755195633 935961336 /nfs/dbraw/zinc/96/13/36/935961336.db2.gz PGEZEIJGJPVSTR-KRWDZBQOSA-N 1 0 363.230 3.625 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc2ccccc21 ZINC000507319742 945140495 /nfs/dbraw/zinc/14/04/95/945140495.db2.gz POFDJGULMJGZMI-VGSWGCGISA-N 1 0 351.494 3.757 20 30 FHEDRO COc1cc2cccnc2c(N(c2ccnc(C#N)c2)[C@@H](C)CCC[NH3+])c1 ZINC001167611259 936080149 /nfs/dbraw/zinc/08/01/49/936080149.db2.gz KOQGBTDYKGXTGU-HNNXBMFYSA-N 1 0 361.449 3.776 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438855816 945144123 /nfs/dbraw/zinc/14/41/23/945144123.db2.gz VMWFVSPOPURJQE-PMACEKPBSA-N 1 0 356.514 3.841 20 30 FHEDRO C=CCC1([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)CCOCC1 ZINC000657633640 936128881 /nfs/dbraw/zinc/12/88/81/936128881.db2.gz UAAGVHNGFXNEID-UHFFFAOYSA-N 1 0 359.388 3.851 20 30 FHEDRO C[NH+]=C(NCc1c(C)noc1C)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000119577780 936128990 /nfs/dbraw/zinc/12/89/90/936128990.db2.gz VTSQBRFPMGHXJC-GOSISDBHSA-N 1 0 368.481 3.793 20 30 FHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1OCC ZINC000609425568 936192395 /nfs/dbraw/zinc/19/23/95/936192395.db2.gz GRNVMMFSPPDYOG-QGZVFWFLSA-N 1 0 358.486 3.733 20 30 FHEDRO N#Cc1ccccc1CNc1ncc(C(F)(F)F)cc1C1=CC[NH2+]CC1 ZINC001167634279 936258317 /nfs/dbraw/zinc/25/83/17/936258317.db2.gz FAPAAGJTDBILNX-UHFFFAOYSA-N 1 0 358.367 3.961 20 30 FHEDRO CC[C@@H](C#N)Sc1nnc([C@H](CC)N(C)C)n1-c1ccc(OC)cc1 ZINC000127000145 938250353 /nfs/dbraw/zinc/25/03/53/938250353.db2.gz CPKFWAIKDHEXHD-HOTGVXAUSA-N 1 0 359.499 3.683 20 30 FHEDRO C#Cc1ccc(NC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000934927075 938262080 /nfs/dbraw/zinc/26/20/80/938262080.db2.gz KUUCPVSKVCSDGP-UHFFFAOYSA-N 1 0 353.388 3.548 20 30 FHEDRO C=CCC[C@H](C)[NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC ZINC000449677409 938269657 /nfs/dbraw/zinc/26/96/57/938269657.db2.gz AZPMCBFWPSZZBK-UONOGXRCSA-N 1 0 356.304 3.553 20 30 FHEDRO Cc1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC(C)(C)C)cc1 ZINC000127685132 938280964 /nfs/dbraw/zinc/28/09/64/938280964.db2.gz KZTFVGHDEPMINU-UHFFFAOYSA-O 1 0 363.453 3.888 20 30 FHEDRO CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2c(c1)OCCO2 ZINC000329190047 938284632 /nfs/dbraw/zinc/28/46/32/938284632.db2.gz RSXMDYCOFSJAQZ-INIZCTEOSA-N 1 0 358.482 3.709 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000052467184 938322057 /nfs/dbraw/zinc/32/20/57/938322057.db2.gz DECYHDHLKXMXPX-UHFFFAOYSA-N 1 0 354.385 3.682 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccccc1C#N ZINC000052485634 938339498 /nfs/dbraw/zinc/33/94/98/938339498.db2.gz LUQVDTDZXXXAQM-UHFFFAOYSA-N 1 0 367.522 3.656 20 30 FHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000329342683 938360175 /nfs/dbraw/zinc/36/01/75/938360175.db2.gz PRZUFWMFJKWXOO-FMKPAKJESA-N 1 0 350.425 3.691 20 30 FHEDRO CC#CCCNC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000458642252 938365736 /nfs/dbraw/zinc/36/57/36/938365736.db2.gz AMWYYCMTVGIPFS-OAQYLSRUSA-N 1 0 367.537 3.732 20 30 FHEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000329375122 938376971 /nfs/dbraw/zinc/37/69/71/938376971.db2.gz KQYVEXLECKVPFA-UZLBHIALSA-N 1 0 369.509 3.642 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)c(F)c1 ZINC000458685193 938424515 /nfs/dbraw/zinc/42/45/15/938424515.db2.gz WBCQXEAIWRDEPU-QUCCMNQESA-N 1 0 363.452 3.709 20 30 FHEDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000564729639 938428643 /nfs/dbraw/zinc/42/86/43/938428643.db2.gz QFIDUJIVKBDYBQ-ZIAGYGMSSA-N 1 0 353.857 3.878 20 30 FHEDRO Cc1cn2cc(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)ccc2n1 ZINC000329465402 938430207 /nfs/dbraw/zinc/43/02/07/938430207.db2.gz VBRRVSGCHYKPEL-UHFFFAOYSA-N 1 0 369.513 3.776 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@H](C)C1 ZINC000157805938 938436904 /nfs/dbraw/zinc/43/69/04/938436904.db2.gz ONEPGEXVHGJBPR-CRAIPNDOSA-N 1 0 358.486 3.539 20 30 FHEDRO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000161938487 938470087 /nfs/dbraw/zinc/47/00/87/938470087.db2.gz WTTCXWVAXFRQEA-JKSUJKDBSA-N 1 0 353.388 3.507 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158186505 938476937 /nfs/dbraw/zinc/47/69/37/938476937.db2.gz OVOPLNNLCJSMAK-JKSUJKDBSA-N 1 0 360.527 3.744 20 30 FHEDRO Cn1cc(C[NH+]2CCC(c3cccnc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000611795735 938485995 /nfs/dbraw/zinc/48/59/95/938485995.db2.gz AXWRYTIYDCDJCU-UHFFFAOYSA-N 1 0 357.461 3.733 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000506743083 945180334 /nfs/dbraw/zinc/18/03/34/945180334.db2.gz KBHIISAMRJVHTC-UHFFFAOYSA-N 1 0 364.489 3.780 20 30 FHEDRO COc1ccccc1[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000248186425 938550262 /nfs/dbraw/zinc/55/02/62/938550262.db2.gz HUAFSPMDFBFXMN-IBGZPJMESA-N 1 0 366.421 3.724 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000151472640 938552044 /nfs/dbraw/zinc/55/20/44/938552044.db2.gz UVXIWFVTIWJDFK-PMACEKPBSA-N 1 0 350.466 3.634 20 30 FHEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000329632938 938558560 /nfs/dbraw/zinc/55/85/60/938558560.db2.gz SBQCWDAKRBWZFI-HKBOAZHASA-N 1 0 374.525 3.776 20 30 FHEDRO C[C@@H]1C[C@H](CNC(=O)Nc2ccc(CC#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000158655885 938562166 /nfs/dbraw/zinc/56/21/66/938562166.db2.gz BKDPKBUBKZUIBN-YLJYHZDGSA-N 1 0 362.477 3.785 20 30 FHEDRO CC(C)(CC#N)CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000458785761 938580632 /nfs/dbraw/zinc/58/06/32/938580632.db2.gz KSCMTVBUFSFWJQ-IBGZPJMESA-N 1 0 356.514 3.528 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@@]2(C)OCCc3sccc32)cc1Cl ZINC000262370966 938592908 /nfs/dbraw/zinc/59/29/08/938592908.db2.gz LNSNTWRBVGHJQF-QGZVFWFLSA-N 1 0 365.886 3.625 20 30 FHEDRO N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000584109250 938600784 /nfs/dbraw/zinc/60/07/84/938600784.db2.gz CSGWAQPWUYDJKI-VQTJNVASSA-N 1 0 354.498 3.554 20 30 FHEDRO C[NH+](C)CCc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278637329 938608424 /nfs/dbraw/zinc/60/84/24/938608424.db2.gz LBHJDPGSVKZDNY-UHFFFAOYSA-N 1 0 374.492 3.575 20 30 FHEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000052823610 938608866 /nfs/dbraw/zinc/60/88/66/938608866.db2.gz PLEKMWMBMNSPOB-UHFFFAOYSA-N 1 0 353.441 3.597 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c(F)c1 ZINC000052829756 938614647 /nfs/dbraw/zinc/61/46/47/938614647.db2.gz GVSPAODUVADVSG-OAHLLOKOSA-N 1 0 372.831 3.596 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(-c2ccccc2)n1 ZINC000584173370 938626574 /nfs/dbraw/zinc/62/65/74/938626574.db2.gz YJEKKTHYAXHXEM-HXUWFJFHSA-N 1 0 357.461 3.848 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000458797726 938663409 /nfs/dbraw/zinc/66/34/09/938663409.db2.gz GPLVCLBPWVYEKA-WOJBJXKFSA-N 1 0 354.498 3.691 20 30 FHEDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000278701853 938669479 /nfs/dbraw/zinc/66/94/79/938669479.db2.gz QVTGHEYZZCYFCG-MOPGFXCFSA-N 1 0 367.497 3.540 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000437272251 945197001 /nfs/dbraw/zinc/19/70/01/945197001.db2.gz XLUAEZLYDFXNFL-FOIQADDNSA-N 1 0 355.434 3.804 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2sccc21 ZINC000124264777 945202786 /nfs/dbraw/zinc/20/27/86/945202786.db2.gz DOEYWWWWFJCIFY-IBGZPJMESA-N 1 0 367.518 3.630 20 30 FHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COCc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187786155 938779848 /nfs/dbraw/zinc/77/98/48/938779848.db2.gz QTZZJHQOVALAFS-UZLBHIALSA-N 1 0 365.395 3.888 20 30 FHEDRO [NH2+]=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)NC1CCCC1 ZINC000262384157 938790084 /nfs/dbraw/zinc/79/00/84/938790084.db2.gz KZXCDUMEUTTWRJ-OAHLLOKOSA-N 1 0 354.523 3.763 20 30 FHEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000584392233 938803553 /nfs/dbraw/zinc/80/35/53/938803553.db2.gz FRMWGMBLIGSRNQ-SJORKVTESA-N 1 0 373.522 3.540 20 30 FHEDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000118395399 938821990 /nfs/dbraw/zinc/82/19/90/938821990.db2.gz XVHOLZRNAZJONH-OAHLLOKOSA-N 1 0 353.491 3.884 20 30 FHEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1O ZINC000573231600 938828046 /nfs/dbraw/zinc/82/80/46/938828046.db2.gz MRNDWYAIWHRGBL-WMLDXEAASA-N 1 0 369.440 3.731 20 30 FHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511823522 945210052 /nfs/dbraw/zinc/21/00/52/945210052.db2.gz QTSXGNAFWMSYPS-DLBZAZTESA-N 1 0 367.415 3.693 20 30 FHEDRO CC(C)C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000128195818 938878124 /nfs/dbraw/zinc/87/81/24/938878124.db2.gz VSQSRVIIZRLFJM-HXUWFJFHSA-N 1 0 356.491 3.709 20 30 FHEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000248759206 938887140 /nfs/dbraw/zinc/88/71/40/938887140.db2.gz GKXKZWJDVPYPOD-HSMVNMDESA-N 1 0 352.265 3.771 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000092144985 938912027 /nfs/dbraw/zinc/91/20/27/938912027.db2.gz UKIWDEVDDKBENM-UHFFFAOYSA-N 1 0 356.510 3.722 20 30 FHEDRO [NH2+]=C(NCc1ccccc1Cn1ccnc1)Nc1cccc2c1CCCC2 ZINC000262403272 938936166 /nfs/dbraw/zinc/93/61/66/938936166.db2.gz VMFXDAAPLANTII-UHFFFAOYSA-N 1 0 359.477 3.737 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000143172639 938949214 /nfs/dbraw/zinc/94/92/14/938949214.db2.gz RPAZIOFSFJLUFG-JOCHJYFZSA-N 1 0 361.489 3.753 20 30 FHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000179115638 938969411 /nfs/dbraw/zinc/96/94/11/938969411.db2.gz STFFQMXICMSFRT-LJQANCHMSA-N 1 0 374.893 3.726 20 30 FHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000480549118 938971335 /nfs/dbraw/zinc/97/13/35/938971335.db2.gz VLEGIVSCCHUOIH-QGZVFWFLSA-N 1 0 363.461 3.812 20 30 FHEDRO C[C@H](NC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(Cl)cc1Cl ZINC000262507252 938976475 /nfs/dbraw/zinc/97/64/75/938976475.db2.gz BQPJFECWTIRZOV-JQWOWJDXSA-N 1 0 356.297 3.772 20 30 FHEDRO COc1ccc(O)c(C=Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000255601622 938980891 /nfs/dbraw/zinc/98/08/91/938980891.db2.gz BPQKPZMOQISZTI-UHFFFAOYSA-N 1 0 367.493 3.929 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CCCN(c3ccccc3F)CC2)cc(OC)c1O ZINC000685446906 938987602 /nfs/dbraw/zinc/98/76/02/938987602.db2.gz WXFMYYLDCYWILM-UHFFFAOYSA-N 1 0 370.468 3.981 20 30 FHEDRO COCc1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000179205372 938989014 /nfs/dbraw/zinc/98/90/14/938989014.db2.gz DGUPLOFHUAUDDH-UHFFFAOYSA-N 1 0 372.472 3.575 20 30 FHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)c2cccnc2)c1C#N ZINC000611932074 938992127 /nfs/dbraw/zinc/99/21/27/938992127.db2.gz AQJUCTDVRPIPMD-OAHLLOKOSA-N 1 0 365.481 3.776 20 30 FHEDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611939319 938993788 /nfs/dbraw/zinc/99/37/88/938993788.db2.gz ICTOZUNAYZTKAG-AWEZNQCLSA-N 1 0 368.506 3.881 20 30 FHEDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000611940158 938993925 /nfs/dbraw/zinc/99/39/25/938993925.db2.gz VSUSLWHVVYXGLP-HZPDHXFCSA-N 1 0 354.429 3.515 20 30 FHEDRO C=CCn1c(-c2sccc2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000685534485 938997476 /nfs/dbraw/zinc/99/74/76/938997476.db2.gz ZQROGCIFOOAYHZ-QGZVFWFLSA-N 1 0 371.554 3.956 20 30 FHEDRO C=CCn1c(C2CCC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000685545174 938998564 /nfs/dbraw/zinc/99/85/64/938998564.db2.gz OFUZPUPMGKFFHR-HXUWFJFHSA-N 1 0 365.525 3.832 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000188009586 939016812 /nfs/dbraw/zinc/01/68/12/939016812.db2.gz CTGHWAWHIXXERC-LJQANCHMSA-N 1 0 367.518 3.851 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC[C@](C)(C#N)C3)cc2)C1 ZINC000612106084 939054205 /nfs/dbraw/zinc/05/42/05/939054205.db2.gz SACGECDANHQNER-XMSQKQJNSA-N 1 0 368.525 3.754 20 30 FHEDRO CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000507446470 945241367 /nfs/dbraw/zinc/24/13/67/945241367.db2.gz DUIFKZBLWYYJIK-DYVFJYSZSA-N 1 0 368.506 3.732 20 30 FHEDRO CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000507462398 945250607 /nfs/dbraw/zinc/25/06/07/945250607.db2.gz DKVCZVKQLCZGGZ-OXJNMPFZSA-N 1 0 365.452 3.995 20 30 FHEDRO N#Cc1cccc(CNC(=O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000500433260 945265456 /nfs/dbraw/zinc/26/54/56/945265456.db2.gz HGIFHLNPYVXWCR-UHFFFAOYSA-N 1 0 374.271 3.760 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000506451697 945270759 /nfs/dbraw/zinc/27/07/59/945270759.db2.gz LQNWJUQKYQLZIX-UHFFFAOYSA-N 1 0 368.452 3.785 20 30 FHEDRO C=CCSCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511853040 945278447 /nfs/dbraw/zinc/27/84/47/945278447.db2.gz XHJVLHWRJWZRRL-SFHVURJKSA-N 1 0 361.555 3.506 20 30 FHEDRO COc1cc(C)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000179626791 939897409 /nfs/dbraw/zinc/89/74/09/939897409.db2.gz UZFPYPMCZMLJIC-OAHLLOKOSA-N 1 0 367.449 3.563 20 30 FHEDRO COc1ccc([C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)N2CCCC2)cc1 ZINC000584321441 939907826 /nfs/dbraw/zinc/90/78/26/939907826.db2.gz VHSZTNCESFXLTM-XZOQPEGZSA-N 1 0 361.489 3.981 20 30 FHEDRO C=CCOc1ccc(CC(=O)N(c2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000658708210 939909549 /nfs/dbraw/zinc/90/95/49/939909549.db2.gz WUDSWYVYIDEVAJ-UHFFFAOYSA-N 1 0 364.489 3.921 20 30 FHEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000179720055 939926162 /nfs/dbraw/zinc/92/61/62/939926162.db2.gz ISUXBHGXFCVYOA-MRXNPFEDSA-N 1 0 359.376 3.839 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000167154421 939942899 /nfs/dbraw/zinc/94/28/99/939942899.db2.gz RUOMIBASYWEEFR-MRXNPFEDSA-N 1 0 356.470 3.947 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000507505482 945285193 /nfs/dbraw/zinc/28/51/93/945285193.db2.gz BJZBFGLRYCKLFB-RHSMWYFYSA-N 1 0 353.853 3.777 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000612357945 940020847 /nfs/dbraw/zinc/02/08/47/940020847.db2.gz VSGPWSDNSNNELG-HXUWFJFHSA-N 1 0 374.916 3.640 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612364613 940024497 /nfs/dbraw/zinc/02/44/97/940024497.db2.gz BTXDWRYMKKNYNY-XMSQKQJNSA-N 1 0 369.509 3.706 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612364595 940024714 /nfs/dbraw/zinc/02/47/14/940024714.db2.gz BTXDWRYMKKNYNY-AVRDEDQJSA-N 1 0 369.509 3.706 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@](C)(C#N)C2)CCCC1)c1ccccc1 ZINC000612372235 940028135 /nfs/dbraw/zinc/02/81/35/940028135.db2.gz KSLKAZNJFWYXPG-GHTZIAJQSA-N 1 0 368.525 3.985 20 30 FHEDRO C[C@@H](NC(=O)CCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364989856 940034752 /nfs/dbraw/zinc/03/47/52/940034752.db2.gz SJSMUEWJBYYRMG-GCJKJVERSA-N 1 0 361.489 3.518 20 30 FHEDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2cc(C#N)nc3ccccc32)cc1 ZINC000612449974 940075131 /nfs/dbraw/zinc/07/51/31/940075131.db2.gz VTOAHQQQCKUSNJ-QHCPKHFHSA-N 1 0 372.472 3.786 20 30 FHEDRO Cc1ccccc1SCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065931323 940079292 /nfs/dbraw/zinc/07/92/92/940079292.db2.gz UOIAPSHATWUZEK-UHFFFAOYSA-N 1 0 367.518 3.549 20 30 FHEDRO CC(C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000548936872 940108051 /nfs/dbraw/zinc/10/80/51/940108051.db2.gz PTOHCHNWVKLYGX-VFNWGFHPSA-N 1 0 353.441 3.861 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000365291687 940115163 /nfs/dbraw/zinc/11/51/63/940115163.db2.gz PXOWTSCRYJJQRU-MFKMUULPSA-N 1 0 355.385 3.646 20 30 FHEDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1ccc(C#N)cc1Cl ZINC000365301636 940117337 /nfs/dbraw/zinc/11/73/37/940117337.db2.gz ZUARCVIIZCAYMK-GDBMZVCRSA-N 1 0 355.873 3.569 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000413835874 940173815 /nfs/dbraw/zinc/17/38/15/940173815.db2.gz OGWVPKUJXOSVRQ-UYAOXDASSA-N 1 0 355.526 3.690 20 30 FHEDRO CCOC(=O)C1CCC([N@H+](CC)CCCC2(C#N)CCOCC2)CC1 ZINC000548946679 940178379 /nfs/dbraw/zinc/17/83/79/940178379.db2.gz QKUSKSORRGYFMD-UHFFFAOYSA-N 1 0 350.503 3.531 20 30 FHEDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(C#N)cc1 ZINC000376060904 940255929 /nfs/dbraw/zinc/25/59/29/940255929.db2.gz ZTPLMNZNAJBSQP-GOSISDBHSA-N 1 0 370.884 3.885 20 30 FHEDRO COc1cccc(C=Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c1O ZINC000255873772 940318710 /nfs/dbraw/zinc/31/87/10/940318710.db2.gz ZAUVNGYPSOVUOG-UHFFFAOYSA-N 1 0 353.466 3.682 20 30 FHEDRO CCOCc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180048971 940325734 /nfs/dbraw/zinc/32/57/34/940325734.db2.gz VQWQKEWFAINXJK-UHFFFAOYSA-N 1 0 360.461 3.785 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164281 940397699 /nfs/dbraw/zinc/39/76/99/940397699.db2.gz FCDFINMCGIRRSW-QUCCMNQESA-N 1 0 364.493 3.547 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660628530 945326118 /nfs/dbraw/zinc/32/61/18/945326118.db2.gz UZMIOLYOSFCVNQ-ZWKOTPCHSA-N 1 0 369.534 3.926 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CCCN(c3ccccc3)CC2)cc(OC)c1O ZINC000511474677 940506804 /nfs/dbraw/zinc/50/68/04/940506804.db2.gz BRYXSXIDMRCDBA-UHFFFAOYSA-N 1 0 352.478 3.842 20 30 FHEDRO C[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000431812682 940636969 /nfs/dbraw/zinc/63/69/69/940636969.db2.gz UPOUZZBCOUHBBH-GGPKGHCWSA-N 1 0 356.514 3.984 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(C)c2)c(OC)c1 ZINC000613381754 940652951 /nfs/dbraw/zinc/65/29/51/940652951.db2.gz FBVOOYXXABKTRS-FQEVSTJZSA-N 1 0 355.478 3.604 20 30 FHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1(C)C ZINC000582391005 940669141 /nfs/dbraw/zinc/66/91/41/940669141.db2.gz JORFTUYEPSYBGM-IAGOWNOFSA-N 1 0 363.889 3.676 20 30 FHEDRO Cc1ccnc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000582495326 940674697 /nfs/dbraw/zinc/67/46/97/940674697.db2.gz FBOGUVRSJQDXIY-MRXNPFEDSA-N 1 0 368.868 3.733 20 30 FHEDRO CC(C)(C)c1ccc(C#N)c(NCC2([NH+]3CCCCC3)CCOCC2)n1 ZINC000613426916 940694140 /nfs/dbraw/zinc/69/41/40/940694140.db2.gz SXLNEEGICIDKOF-UHFFFAOYSA-N 1 0 356.514 3.698 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]/CCCS(=O)(=O)c2ccccc2)c(O)c1 ZINC000124907637 945341241 /nfs/dbraw/zinc/34/12/41/945341241.db2.gz ZYFUEDBICQBCHP-LTGZKZEYSA-N 1 0 374.506 3.521 20 30 FHEDRO COc1ccc(C[C@@](C)([NH3+])CNc2nc(C(C)(C)C)ccc2C#N)cc1 ZINC000613428202 940698698 /nfs/dbraw/zinc/69/86/98/940698698.db2.gz VERZHHIUNJCSRU-OAQYLSRUSA-N 1 0 352.482 3.631 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000174091951 940702117 /nfs/dbraw/zinc/70/21/17/940702117.db2.gz DEXGDIJBMZOZLJ-UHFFFAOYSA-N 1 0 366.387 3.669 20 30 FHEDRO COc1ccc([C@@H](CO)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000414173481 940709732 /nfs/dbraw/zinc/70/97/32/940709732.db2.gz GHERVQVVMFRJJS-KNQAVFIVSA-N 1 0 350.462 3.700 20 30 FHEDRO CC1CC[NH+](Cc2ccc(-c3noc([C@]4(C#N)CCCOC4)n3)cc2)CC1 ZINC000866879159 940727054 /nfs/dbraw/zinc/72/70/54/940727054.db2.gz OYNKWZVLCUFWLK-NRFANRHFSA-N 1 0 366.465 3.540 20 30 FHEDRO C[C@@H](Nc1ccc2cc(C#N)ccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540905958 940747238 /nfs/dbraw/zinc/74/72/38/940747238.db2.gz FJIGJYLTSXZYLS-UTKZUKDTSA-N 1 0 356.473 3.851 20 30 FHEDRO CCc1ccccc1N1C[C@@H](C(=O)NC2CC([NH+]3CCCCC3)C2)CC1=O ZINC000330075552 945346144 /nfs/dbraw/zinc/34/61/44/945346144.db2.gz DJDGXWIVGQBVOZ-VIQWUECVSA-N 1 0 369.509 3.575 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000180191895 940787951 /nfs/dbraw/zinc/78/79/51/940787951.db2.gz VEBZNGPJVORBNA-SFHVURJKSA-N 1 0 373.504 3.569 20 30 FHEDRO COCC[C@H]1CCCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000613503349 940794687 /nfs/dbraw/zinc/79/46/87/940794687.db2.gz MDYVNSJELIXCGD-GOSISDBHSA-N 1 0 352.482 3.691 20 30 FHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@]2(CCOC2)O1 ZINC000330085491 945350319 /nfs/dbraw/zinc/35/03/19/945350319.db2.gz RJHUIUJLVGDQOU-AEFFLSMTSA-N 1 0 352.862 3.588 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000660640893 945351223 /nfs/dbraw/zinc/35/12/23/945351223.db2.gz VUJLTHXYCIDNDW-BGYRXZFFSA-N 1 0 369.509 3.554 20 30 FHEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(F)c(Br)cc1Br ZINC001218210489 940839173 /nfs/dbraw/zinc/83/91/73/940839173.db2.gz DJLXAKQPYPVIMS-LBPRGKRZSA-N 1 0 365.040 3.648 20 30 FHEDRO C[C@@H]1CN(c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cn2)C[C@H](C)O1 ZINC000330099720 945356358 /nfs/dbraw/zinc/35/63/58/945356358.db2.gz ZYYJNVAMPUEINT-JTDSTZFVSA-N 1 0 372.513 3.690 20 30 FHEDRO CSc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cnn1C ZINC000330114532 945362766 /nfs/dbraw/zinc/36/27/66/945362766.db2.gz SVRDJLWPBUCYRO-ALOPSCKCSA-N 1 0 370.522 3.642 20 30 FHEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000376425864 940972403 /nfs/dbraw/zinc/97/24/03/940972403.db2.gz JILQGVBXYCKAQK-PXNSSMCTSA-N 1 0 364.493 3.501 20 30 FHEDRO O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000330128528 945367781 /nfs/dbraw/zinc/36/77/81/945367781.db2.gz NRQWLZUXHQIHSQ-FUHWJXTLSA-N 1 0 356.445 3.795 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[C@@H]1c1cccs1 ZINC000376445246 941020882 /nfs/dbraw/zinc/02/08/82/941020882.db2.gz ASVADLRVWBYMFY-KPZWWZAWSA-N 1 0 371.466 3.605 20 30 FHEDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(OCC#N)cc3)CC2)cc1 ZINC000180540058 941042247 /nfs/dbraw/zinc/04/22/47/941042247.db2.gz LZSVWDAOIFXHKI-KRWDZBQOSA-N 1 0 365.477 3.917 20 30 FHEDRO C=CCCC1(CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCCC1 ZINC000659040789 941043442 /nfs/dbraw/zinc/04/34/42/941043442.db2.gz MXSMPERCVNSDKD-IBGZPJMESA-N 1 0 357.498 3.996 20 30 FHEDRO C=CC[C@@H]1N(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCCC1(C)C ZINC000659044422 941045321 /nfs/dbraw/zinc/04/53/21/941045321.db2.gz UFRCMMBWAGUUIN-MOPGFXCFSA-N 1 0 357.498 3.946 20 30 FHEDRO CCCOc1ccc(Cl)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000176553670 941057861 /nfs/dbraw/zinc/05/78/61/941057861.db2.gz ATPTXGCWOPUEKN-UHFFFAOYSA-N 1 0 366.893 3.828 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)ccc1OC ZINC000134549804 941092508 /nfs/dbraw/zinc/09/25/08/941092508.db2.gz JFGMIMVDUXJTCB-LJQANCHMSA-N 1 0 372.509 3.531 20 30 FHEDRO COc1ccc(Cn2nc(C)c(CN3CCC[C@](C)(C#N)C3)c2C)cc1 ZINC000613540198 941098223 /nfs/dbraw/zinc/09/82/23/941098223.db2.gz COTVHCOIVDCDGC-OAQYLSRUSA-N 1 0 352.482 3.683 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000472614782 941108200 /nfs/dbraw/zinc/10/82/00/941108200.db2.gz YACSPNSFLIMAJY-UXHICEINSA-N 1 0 350.462 3.947 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)CC(F)(F)F ZINC000177367699 941119392 /nfs/dbraw/zinc/11/93/92/941119392.db2.gz DKBHTOZHZWBKRO-MRXNPFEDSA-N 1 0 358.835 3.898 20 30 FHEDRO C[C@@H](C(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000188876319 941127683 /nfs/dbraw/zinc/12/76/83/941127683.db2.gz BTVGGNDBYPHFDD-MJBXVCDLSA-N 1 0 354.479 3.882 20 30 FHEDRO CCN(CCC[NH+](C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000188945668 941132903 /nfs/dbraw/zinc/13/29/03/941132903.db2.gz QYDYRZPEHQCREY-UHFFFAOYSA-N 1 0 351.450 3.764 20 30 FHEDRO N#CCCCCCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000588151670 941142916 /nfs/dbraw/zinc/14/29/16/941142916.db2.gz GJKSKUSGVKHIEQ-UHFFFAOYSA-N 1 0 370.497 3.914 20 30 FHEDRO N#Cc1csc(C[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000177698611 941145675 /nfs/dbraw/zinc/14/56/75/941145675.db2.gz RJOGCJMZLXOUOU-HXUWFJFHSA-N 1 0 361.470 3.959 20 30 FHEDRO CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]1c1cccs1 ZINC000588216237 941149267 /nfs/dbraw/zinc/14/92/67/941149267.db2.gz LEWHGFUKDFTNCJ-QFBILLFUSA-N 1 0 356.491 3.637 20 30 FHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000376568295 941156070 /nfs/dbraw/zinc/15/60/70/941156070.db2.gz DRRBDLTUZLEXIA-XLIONFOSSA-N 1 0 364.493 3.644 20 30 FHEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000376568293 941156203 /nfs/dbraw/zinc/15/62/03/941156203.db2.gz DRRBDLTUZLEXIA-FXAWDEMLSA-N 1 0 364.493 3.644 20 30 FHEDRO C=CCS(=O)(=O)CCNCc1c(Cl)cccc1Oc1ccccc1 ZINC000782968232 941352225 /nfs/dbraw/zinc/35/22/25/941352225.db2.gz HSWOMTJNOKTCHD-UHFFFAOYSA-N 1 0 365.882 3.823 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000376613290 941364838 /nfs/dbraw/zinc/36/48/38/941364838.db2.gz XLGJHIXNEBWUEI-UHFFFAOYSA-N 1 0 356.514 3.528 20 30 FHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc(O)c2)ccc1Cl ZINC000181578252 941367333 /nfs/dbraw/zinc/36/73/33/941367333.db2.gz QXNOSARPOYGOEL-OAHLLOKOSA-N 1 0 371.868 3.952 20 30 FHEDRO CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1C ZINC001104729672 941392501 /nfs/dbraw/zinc/39/25/01/941392501.db2.gz ZNVHSSSXDOZKGD-SJLPKXTDSA-N 1 0 361.530 3.754 20 30 FHEDRO N#Cc1cccc(OCc2cccc(-c3nc(C4([NH3+])CCCC4)no3)c2)c1 ZINC000414630436 941422520 /nfs/dbraw/zinc/42/25/20/941422520.db2.gz UINOQIGAPABZKK-UHFFFAOYSA-N 1 0 360.417 3.915 20 30 FHEDRO Cc1cnn(-c2ccc([C@H](C)[NH2+]C[C@@H](O)c3ccc(C#N)cc3)cc2F)c1 ZINC000376834106 941444055 /nfs/dbraw/zinc/44/40/55/941444055.db2.gz VRMWOEFIRXHIMR-YCRPNKLZSA-N 1 0 364.424 3.576 20 30 FHEDRO C[C@@H]1CCN(C(=O)NCC(C)(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000377043494 941501279 /nfs/dbraw/zinc/50/12/79/941501279.db2.gz FMTMWNIAKJSWSW-GOSISDBHSA-N 1 0 356.514 3.622 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@]1(C)C[NH3+] ZINC000415010150 941539271 /nfs/dbraw/zinc/53/92/71/941539271.db2.gz OSESUQAKGKWXIE-QVKFZJNVSA-N 1 0 364.449 3.799 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415004462 941541020 /nfs/dbraw/zinc/54/10/20/941541020.db2.gz NYQPHORFZGUBFW-UHFFFAOYSA-N 1 0 358.486 3.718 20 30 FHEDRO C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H]1C[NH3+] ZINC000415006183 941541793 /nfs/dbraw/zinc/54/17/93/941541793.db2.gz KBTFVWIAMYCTKD-KXBFYZLASA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000415014737 941542880 /nfs/dbraw/zinc/54/28/80/941542880.db2.gz XGFXHSGOXJUBHC-WMLDXEAASA-N 1 0 350.422 3.613 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415028971 941551172 /nfs/dbraw/zinc/55/11/72/941551172.db2.gz ZOHAONIHKAXPOD-KXBFYZLASA-N 1 0 364.449 3.860 20 30 FHEDRO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000549170742 941577504 /nfs/dbraw/zinc/57/75/04/941577504.db2.gz DEAIKCOPRBYSCT-OXQOHEQNSA-N 1 0 365.477 3.875 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000415063424 941581007 /nfs/dbraw/zinc/58/10/07/941581007.db2.gz OYNFQRFXPGYAHK-YWZLYKJASA-N 1 0 364.449 3.779 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415062700 941581102 /nfs/dbraw/zinc/58/11/02/941581102.db2.gz MTESUWDDQNWKIB-IRXDYDNUSA-N 1 0 364.449 3.908 20 30 FHEDRO Cc1ccc(F)c(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C#N)cc3)C2=O)c1 ZINC000549175080 941582682 /nfs/dbraw/zinc/58/26/82/941582682.db2.gz YMBBHZHSWNKYCN-DNVCBOLYSA-N 1 0 351.425 3.852 20 30 FHEDRO N#CCCCOc1cccc(C[N@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000377241866 941587274 /nfs/dbraw/zinc/58/72/74/941587274.db2.gz GRCRWHYCQDYGKI-UHFFFAOYSA-N 1 0 368.456 3.616 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000415072151 941588801 /nfs/dbraw/zinc/58/88/01/941588801.db2.gz LNWKHTYAAJWZPP-QGZVFWFLSA-N 1 0 352.438 3.512 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(C(F)F)c(F)c3)CC2)nc1 ZINC000892860716 941626395 /nfs/dbraw/zinc/62/63/95/941626395.db2.gz QMAQWTCXEJBRAW-UHFFFAOYSA-N 1 0 360.383 3.789 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]1 ZINC000415143420 941628723 /nfs/dbraw/zinc/62/87/23/941628723.db2.gz AVAULTBHFMPKPR-WMLDXEAASA-N 1 0 350.422 3.613 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC3CCC([NH3+])CC3)c2)cc1 ZINC000415149947 941630617 /nfs/dbraw/zinc/63/06/17/941630617.db2.gz OXWXJIACTJZAAP-UHFFFAOYSA-N 1 0 350.422 3.742 20 30 FHEDRO COCCC[NH+]1CCC(Nc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000565655585 941630638 /nfs/dbraw/zinc/63/06/38/941630638.db2.gz STIOAODPLPDUKB-UHFFFAOYSA-N 1 0 358.873 3.673 20 30 FHEDRO C[C@@](C[NH3+])(NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC1 ZINC000415146468 941632230 /nfs/dbraw/zinc/63/22/30/941632230.db2.gz GNSYYPMHDIKPQO-FQEVSTJZSA-N 1 0 350.422 3.599 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NCCC[NH2+]C3CC3)c2)cc1 ZINC000415147884 941634483 /nfs/dbraw/zinc/63/44/83/941634483.db2.gz JALAOQCYNQJXEA-UHFFFAOYSA-N 1 0 350.422 3.614 20 30 FHEDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415151787 941635076 /nfs/dbraw/zinc/63/50/76/941635076.db2.gz TTYAVEUFYFEQRX-QGZVFWFLSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000415155586 941636969 /nfs/dbraw/zinc/63/69/69/941636969.db2.gz FMHGYBQLQIFFFD-HOCLYGCPSA-N 1 0 354.479 3.760 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415155107 941637411 /nfs/dbraw/zinc/63/74/11/941637411.db2.gz FELFGJPXFXZAQR-LSVZVQIISA-N 1 0 358.511 3.685 20 30 FHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc(C#N)c3ccccc3n2)CC1 ZINC000377317429 941642490 /nfs/dbraw/zinc/64/24/90/941642490.db2.gz PVOPBWLZSYHYMW-UHFFFAOYSA-N 1 0 371.444 3.665 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])cc2)c1 ZINC000415161569 941643567 /nfs/dbraw/zinc/64/35/67/941643567.db2.gz MROSRZYQCABCTD-OXQOHEQNSA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415166592 941647483 /nfs/dbraw/zinc/64/74/83/941647483.db2.gz RPJPRIJFYWZBIG-RHSMWYFYSA-N 1 0 360.527 3.838 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415166587 941647591 /nfs/dbraw/zinc/64/75/91/941647591.db2.gz RPJPRIJFYWZBIG-PBHICJAKSA-N 1 0 360.527 3.838 20 30 FHEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415167054 941648515 /nfs/dbraw/zinc/64/85/15/941648515.db2.gz SBQCQGCKTXSIFF-LSDHHAIUSA-N 1 0 350.422 3.565 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)cc2)c1 ZINC000415172028 941648989 /nfs/dbraw/zinc/64/89/89/941648989.db2.gz YVANATHNOVQYAV-IRXDYDNUSA-N 1 0 364.449 3.990 20 30 FHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)c2ccc(F)cc2)c1 ZINC000613666847 941659697 /nfs/dbraw/zinc/65/96/97/941659697.db2.gz GHTJXOSAZIFIOJ-LXGCGDOSSA-N 1 0 372.465 3.600 20 30 FHEDRO C=CCC[C@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000472744619 941663789 /nfs/dbraw/zinc/66/37/89/941663789.db2.gz CJMULIQZIDJEPT-WMZHIEFXSA-N 1 0 367.489 3.978 20 30 FHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000181547355 941667505 /nfs/dbraw/zinc/66/75/05/941667505.db2.gz ALQGODWJALHXBH-SFHVURJKSA-N 1 0 353.853 3.761 20 30 FHEDRO N#Cc1ccc(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1C(F)(F)F ZINC000415210339 941678294 /nfs/dbraw/zinc/67/82/94/941678294.db2.gz JQFFKDOOZQVFMH-QGZVFWFLSA-N 1 0 374.366 3.586 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000377398220 941691769 /nfs/dbraw/zinc/69/17/69/941691769.db2.gz JCGPCCWZGATBMT-NRFANRHFSA-N 1 0 364.493 3.511 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000549246420 941735692 /nfs/dbraw/zinc/73/56/92/941735692.db2.gz IINCIHGYADIDQK-IBGZPJMESA-N 1 0 353.514 3.517 20 30 FHEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549249581 941745016 /nfs/dbraw/zinc/74/50/16/941745016.db2.gz GBPXZDADIFQIMY-KRWDZBQOSA-N 1 0 369.488 3.725 20 30 FHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cccc(C#N)c1C ZINC000509915932 941804173 /nfs/dbraw/zinc/80/41/73/941804173.db2.gz ZDNUYOZWNYNTQC-UHFFFAOYSA-N 1 0 365.502 3.976 20 30 FHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000513235245 941808370 /nfs/dbraw/zinc/80/83/70/941808370.db2.gz MTERCPCHRDNQQX-IBGZPJMESA-N 1 0 359.473 3.926 20 30 FHEDRO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000614485038 941867789 /nfs/dbraw/zinc/86/77/89/941867789.db2.gz PQTSXYJDGBGXKJ-UHFFFAOYSA-N 1 0 357.841 3.794 20 30 FHEDRO N#Cc1cc(NC(=O)NCCC[NH2+]C2CC2)ccc1Oc1ccccc1 ZINC000415538101 941885956 /nfs/dbraw/zinc/88/59/56/941885956.db2.gz QMPXKZTXQBLYIK-UHFFFAOYSA-N 1 0 350.422 3.614 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@H]1C[NH3+] ZINC000415539764 941886140 /nfs/dbraw/zinc/88/61/40/941886140.db2.gz WKHSISWTCAWCKL-WBVHZDCISA-N 1 0 364.449 3.799 20 30 FHEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415539195 941886672 /nfs/dbraw/zinc/88/66/72/941886672.db2.gz UMMRSTRPNIQJKF-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO CC1(NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[NH2+]CC1 ZINC000415540573 941887841 /nfs/dbraw/zinc/88/78/41/941887841.db2.gz YTNDGWQMULBZHA-UHFFFAOYSA-N 1 0 350.422 3.614 20 30 FHEDRO CN1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21 ZINC000513440928 941927644 /nfs/dbraw/zinc/92/76/44/941927644.db2.gz YSBDKOXEYYFFEP-UHFFFAOYSA-N 1 0 371.488 3.916 20 30 FHEDRO [NH2+]=C(NCC1(c2ccc(Br)s2)CCC1)Nc1ccccn1 ZINC000262673983 941939266 /nfs/dbraw/zinc/93/92/66/941939266.db2.gz SINKYRSRGPXQQA-UHFFFAOYSA-N 1 0 365.300 3.754 20 30 FHEDRO CN(Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000513466577 941944535 /nfs/dbraw/zinc/94/45/35/941944535.db2.gz HPZWPXCXIRLAFK-JOCHJYFZSA-N 1 0 361.489 3.806 20 30 FHEDRO C=CCOc1c(Cl)cc(CN2CC[C@@H](n3cc(C)cn3)C2)cc1OC ZINC000628287492 941956379 /nfs/dbraw/zinc/95/63/79/941956379.db2.gz BGZFKAXNLHBOKL-MRXNPFEDSA-N 1 0 361.873 3.865 20 30 FHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000513561117 942017630 /nfs/dbraw/zinc/01/76/30/942017630.db2.gz UCQAQVLBMGWMOF-QHCPKHFHSA-N 1 0 369.468 3.748 20 30 FHEDRO N#CCc1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000415785543 942052040 /nfs/dbraw/zinc/05/20/40/942052040.db2.gz OZZXPFRAJILQOA-SJORKVTESA-N 1 0 368.868 3.612 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(F)cc2CSC)CC1 ZINC000087088502 942052813 /nfs/dbraw/zinc/05/28/13/942052813.db2.gz PCAFIOMZGPNNIU-UHFFFAOYSA-N 1 0 365.518 3.528 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415811793 942063978 /nfs/dbraw/zinc/06/39/78/942063978.db2.gz XVYTYGOBFSSAEQ-GOEBONIOSA-N 1 0 366.490 3.910 20 30 FHEDRO CN(Cc1ccc(F)c(C#N)c1Cl)C1CC[NH+](Cc2ccncc2)CC1 ZINC000377923302 942073152 /nfs/dbraw/zinc/07/31/52/942073152.db2.gz RGTNEAVSZMUMJH-UHFFFAOYSA-N 1 0 372.875 3.842 20 30 FHEDRO C[C@H](C#N)CN(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000513681644 942073252 /nfs/dbraw/zinc/07/32/52/942073252.db2.gz GQUZCYBKHUJOBI-QGZVFWFLSA-N 1 0 370.497 3.707 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]CCOc3cccc(Cl)c3)CC2)cc1 ZINC000513685219 942077169 /nfs/dbraw/zinc/07/71/69/942077169.db2.gz XPWWYHXKDBRPPY-UHFFFAOYSA-N 1 0 355.869 3.849 20 30 FHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415938055 942169304 /nfs/dbraw/zinc/16/93/04/942169304.db2.gz ABCZWXRAEHWCQV-UHFFFAOYSA-N 1 0 368.437 3.924 20 30 FHEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415952410 942187162 /nfs/dbraw/zinc/18/71/62/942187162.db2.gz HEIPVBNQZPNMMK-UHFFFAOYSA-N 1 0 357.404 3.831 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415962586 942202863 /nfs/dbraw/zinc/20/28/63/942202863.db2.gz TWHBJYTZAKXUAO-UHFFFAOYSA-N 1 0 353.441 3.734 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2(C#N)CCC2)cc1 ZINC000419406376 942250305 /nfs/dbraw/zinc/25/03/05/942250305.db2.gz IQZLRRMBYWDMGA-QGZVFWFLSA-N 1 0 354.498 3.554 20 30 FHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000501035475 942278668 /nfs/dbraw/zinc/27/86/68/942278668.db2.gz AJYWRJSRJZWGHQ-MSOLQXFVSA-N 1 0 360.299 3.740 20 30 FHEDRO CCC1(CC)Oc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2O1 ZINC000188119711 942340264 /nfs/dbraw/zinc/34/02/64/942340264.db2.gz NEXSKQKQAWSQPI-UHFFFAOYSA-N 1 0 374.485 3.673 20 30 FHEDRO C[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419693289 942353779 /nfs/dbraw/zinc/35/37/79/942353779.db2.gz NCPZUTCWOHTQJA-MRXNPFEDSA-N 1 0 359.477 3.876 20 30 FHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000501319453 942399127 /nfs/dbraw/zinc/39/91/27/942399127.db2.gz TWRLTHPIVUWVDF-LJQANCHMSA-N 1 0 360.461 3.890 20 30 FHEDRO N#Cc1ccc(C2=CCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000416185965 942460055 /nfs/dbraw/zinc/46/00/55/942460055.db2.gz YEZSTTFLBNLYHT-UHFFFAOYSA-N 1 0 371.484 3.622 20 30 FHEDRO CC(C)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000505330467 942487113 /nfs/dbraw/zinc/48/71/13/942487113.db2.gz KQRSYBVITWDSBH-HXUWFJFHSA-N 1 0 373.516 3.848 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)cc1 ZINC000502497656 942492128 /nfs/dbraw/zinc/49/21/28/942492128.db2.gz XRWKDLATKTYDMG-UHFFFAOYSA-N 1 0 367.399 3.954 20 30 FHEDRO CC[C@@H]1C[C@@]1([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C)c1 ZINC000502520631 942496162 /nfs/dbraw/zinc/49/61/62/942496162.db2.gz IXXLMIKKYJJJEA-NQIIRXRSSA-N 1 0 368.502 3.555 20 30 FHEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c(OC[C@H]2CCCO2)c1 ZINC000421343689 942496545 /nfs/dbraw/zinc/49/65/45/942496545.db2.gz QKBAFRDGGLZKRI-LJQANCHMSA-N 1 0 354.425 3.853 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527207 942500534 /nfs/dbraw/zinc/50/05/34/942500534.db2.gz FPKMWPFCHTZAFM-CQSZACIVSA-N 1 0 366.852 3.723 20 30 FHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(C#N)s1 ZINC000421355401 942505363 /nfs/dbraw/zinc/50/53/63/942505363.db2.gz YYBPJXJLECJPGX-AWEZNQCLSA-N 1 0 367.474 3.564 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000501519205 942521086 /nfs/dbraw/zinc/52/10/86/942521086.db2.gz AJJLAHPYJYBNFH-MSOLQXFVSA-N 1 0 356.514 3.743 20 30 FHEDRO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)c1cccc(C#N)c1 ZINC000425050184 942522397 /nfs/dbraw/zinc/52/23/97/942522397.db2.gz YGQRBBFHBMMLCB-ZDUSSCGKSA-N 1 0 368.506 3.914 20 30 FHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(F)c(C#N)c3)sc2C1 ZINC000425050568 942523087 /nfs/dbraw/zinc/52/30/87/942523087.db2.gz ZAVKEWVERXNSJH-UHFFFAOYSA-N 1 0 358.442 3.563 20 30 FHEDRO COc1cc2[nH]c(CCC[NH2+]Cc3ccc(C#N)c(F)c3)cc2c(OC)c1 ZINC000421372573 942524157 /nfs/dbraw/zinc/52/41/57/942524157.db2.gz YNOKHUJDIMFYNN-UHFFFAOYSA-N 1 0 367.424 3.918 20 30 FHEDRO N#CCC[C@@H]([NH2+]C1CC(S(=O)(=O)c2ccccc2)C1)c1ccccc1 ZINC000893194034 942526959 /nfs/dbraw/zinc/52/69/59/942526959.db2.gz CCISFPMPZKXJBJ-LYBXBRPPSA-N 1 0 354.475 3.626 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000502554867 942538298 /nfs/dbraw/zinc/53/82/98/942538298.db2.gz UADZDIDHWVERAW-LJQANCHMSA-N 1 0 368.864 3.741 20 30 FHEDRO N#Cc1ccc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)cc1F ZINC000421404023 942555857 /nfs/dbraw/zinc/55/58/57/942555857.db2.gz XGKJEROOTSIVLA-UHFFFAOYSA-N 1 0 352.331 3.971 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc(F)c(F)c(F)c1 ZINC000161697724 942566411 /nfs/dbraw/zinc/56/64/11/942566411.db2.gz CWKLZIMCBQARGM-GFCCVEGCSA-N 1 0 360.383 3.690 20 30 FHEDRO COc1cc(C[NH2+]CC2(CC#N)CC2)ccc1OCc1c(C)noc1C ZINC000430041200 942606762 /nfs/dbraw/zinc/60/67/62/942606762.db2.gz MCTYCIABCNDSON-UHFFFAOYSA-N 1 0 355.438 3.663 20 30 FHEDRO Cc1ccc2c(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)ccc(O)c2n1 ZINC000513966387 942647831 /nfs/dbraw/zinc/64/78/31/942647831.db2.gz QDEHBIGYMCEJFD-UHFFFAOYSA-N 1 0 372.472 3.833 20 30 FHEDRO CC1(C(=O)NCc2ccc(C#N)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000421605168 942683339 /nfs/dbraw/zinc/68/33/39/942683339.db2.gz UAWHBTVGHIZTHC-UHFFFAOYSA-N 1 0 353.491 3.538 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416337502 942686300 /nfs/dbraw/zinc/68/63/00/942686300.db2.gz ABBLLNYEALFFQL-JOCHJYFZSA-N 1 0 359.473 3.500 20 30 FHEDRO C=CCCCCCCCCC(=O)N1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001269807044 942750947 /nfs/dbraw/zinc/75/09/47/942750947.db2.gz ALHSLIMHXNFFAC-UHFFFAOYSA-N 1 0 363.590 3.779 20 30 FHEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000421701474 942757592 /nfs/dbraw/zinc/75/75/92/942757592.db2.gz HTLIUHMPHXUOBX-KRWDZBQOSA-N 1 0 365.502 3.876 20 30 FHEDRO CCO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)C12CCCCC2 ZINC000502827368 942781494 /nfs/dbraw/zinc/78/14/94/942781494.db2.gz NCPPXJABAMXUAE-HOTGVXAUSA-N 1 0 361.511 3.666 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000502894924 942823228 /nfs/dbraw/zinc/82/32/28/942823228.db2.gz FFRQZMMWYZTJKK-FQEVSTJZSA-N 1 0 373.545 3.569 20 30 FHEDRO Cc1ccccc1[C@@]1(F)CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000502940540 942871008 /nfs/dbraw/zinc/87/10/08/942871008.db2.gz QVNNFYXBRDTMFD-OAQYLSRUSA-N 1 0 351.425 3.766 20 30 FHEDRO Cc1ccc([C@@]2(C)CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000434747824 942938843 /nfs/dbraw/zinc/93/88/43/942938843.db2.gz RSQNUNOGFURHQJ-QHCPKHFHSA-N 1 0 361.489 3.905 20 30 FHEDRO COC[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000434790332 942969663 /nfs/dbraw/zinc/96/96/63/942969663.db2.gz SZENQOBJDIKCTR-YADHBBJMSA-N 1 0 364.489 3.670 20 30 FHEDRO Fc1ccc(C[NH2+]CCOCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000434792714 942971008 /nfs/dbraw/zinc/97/10/08/942971008.db2.gz IVRVMYZYHRNUGL-UHFFFAOYSA-N 1 0 351.237 3.851 20 30 FHEDRO Cc1c(C#N)c(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)nc2ccccc12 ZINC001167947046 942975803 /nfs/dbraw/zinc/97/58/03/942975803.db2.gz DYOSNDDVMFKUAX-SFHVURJKSA-N 1 0 368.481 3.666 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc2c(c1)CCCC2 ZINC000434861599 943014272 /nfs/dbraw/zinc/01/42/72/943014272.db2.gz ARUKIAGEQHMORQ-IFXJQAMLSA-N 1 0 365.502 3.955 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)CC1 ZINC000422172433 943021646 /nfs/dbraw/zinc/02/16/46/943021646.db2.gz XHTCHWIVHUHUTF-NRFANRHFSA-N 1 0 359.489 3.583 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)CC1 ZINC000422172440 943021864 /nfs/dbraw/zinc/02/18/64/943021864.db2.gz XHTCHWIVHUHUTF-OAQYLSRUSA-N 1 0 359.489 3.583 20 30 FHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000416692592 943036980 /nfs/dbraw/zinc/03/69/80/943036980.db2.gz TZXWMBXDZBXGSM-LAUBAEHRSA-N 1 0 368.525 3.747 20 30 FHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C2)C1 ZINC000505568821 943048829 /nfs/dbraw/zinc/04/88/29/943048829.db2.gz NYMRGUUKNZLOCD-QHCPKHFHSA-N 1 0 374.488 3.860 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416699686 943050139 /nfs/dbraw/zinc/05/01/39/943050139.db2.gz YTAANUNHGPYWLY-LAUBAEHRSA-N 1 0 368.525 3.889 20 30 FHEDRO COc1ccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1OCCCC#N ZINC000271789870 943050821 /nfs/dbraw/zinc/05/08/21/943050821.db2.gz GKWSYVMHPPWPNK-KRWDZBQOSA-N 1 0 360.498 3.656 20 30 FHEDRO C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N(C)Cc1c(F)cccc1Cl ZINC000261868163 943065631 /nfs/dbraw/zinc/06/56/31/943065631.db2.gz NVWQUGNOZADFQV-LLVKDONJSA-N 1 0 366.868 3.895 20 30 FHEDRO CC[NH+](CC)CCSCC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000469261282 943080245 /nfs/dbraw/zinc/08/02/45/943080245.db2.gz XKMCPPJIDVOQIP-GOSISDBHSA-N 1 0 361.555 3.740 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000435037228 943104215 /nfs/dbraw/zinc/10/42/15/943104215.db2.gz XHEIOGGIJDCJLS-NRFANRHFSA-N 1 0 361.489 3.571 20 30 FHEDRO C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H](c1ccccc1)[NH+](C)C ZINC000505591078 943106182 /nfs/dbraw/zinc/10/61/82/943106182.db2.gz LBRCGTLXTQEZEN-YCRPNKLZSA-N 1 0 374.444 3.634 20 30 FHEDRO C[C@@H]1C[C@@]1([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000503378678 943156604 /nfs/dbraw/zinc/15/66/04/943156604.db2.gz QFUUEVDUKBFTAA-KUHUBIRLSA-N 1 0 374.893 3.510 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1ccc(F)c(F)c1)C(C)C ZINC000503411423 943169596 /nfs/dbraw/zinc/16/95/96/943169596.db2.gz FKGNQJZPWINHFR-IBGZPJMESA-N 1 0 365.468 3.805 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000503435860 943183358 /nfs/dbraw/zinc/18/33/58/943183358.db2.gz IKIUYXGOAXZWPP-SFHVURJKSA-N 1 0 360.458 3.723 20 30 FHEDRO N#CCOc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000272601944 943184269 /nfs/dbraw/zinc/18/42/69/943184269.db2.gz YNPOFUBDYOGNIW-UHFFFAOYSA-N 1 0 364.371 3.641 20 30 FHEDRO N#Cc1ccnc(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000425284363 943187453 /nfs/dbraw/zinc/18/74/53/943187453.db2.gz QMXIICDOGGNJTQ-INIZCTEOSA-N 1 0 354.435 3.618 20 30 FHEDRO C=CCC(CC=C)C(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@H+]1CC ZINC000503477593 943210950 /nfs/dbraw/zinc/21/09/50/943210950.db2.gz DBHVKIXGSCLIBN-FQEVSTJZSA-N 1 0 356.510 3.974 20 30 FHEDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H]1c1ccc(Cl)cc1 ZINC000430137254 943213906 /nfs/dbraw/zinc/21/39/06/943213906.db2.gz YKYCSCNKIWHOMN-DLBZAZTESA-N 1 0 360.866 3.662 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000435161570 943216215 /nfs/dbraw/zinc/21/62/15/943216215.db2.gz DUEHPUGKPPLULK-UHFFFAOYSA-N 1 0 358.461 3.817 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000503525540 943234418 /nfs/dbraw/zinc/23/44/18/943234418.db2.gz HBJVJOGGQCKPJJ-QZTJIDSGSA-N 1 0 369.490 3.676 20 30 FHEDRO N#Cc1cccc(CC[NH2+][C@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000503558373 943259888 /nfs/dbraw/zinc/25/98/88/943259888.db2.gz RIFOTSOPKAQMPQ-QHCPKHFHSA-N 1 0 369.468 3.748 20 30 FHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)CCCOC(C)C)ccc1Cl ZINC000514762229 943274701 /nfs/dbraw/zinc/27/47/01/943274701.db2.gz JDANVXPFFBRULH-UHFFFAOYSA-N 1 0 365.905 3.642 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1 ZINC000093009188 943315860 /nfs/dbraw/zinc/31/58/60/943315860.db2.gz AWZRJZKYVNSNPS-UHFFFAOYSA-N 1 0 368.477 3.856 20 30 FHEDRO C=CCOc1ccccc1CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422904679 943326489 /nfs/dbraw/zinc/32/64/89/943326489.db2.gz HJAVLGJMHBBTOF-IFMALSPDSA-N 1 0 352.478 3.843 20 30 FHEDRO CN1C(=O)C[C@@H]([NH2+]CCC2(C#N)CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000514844993 943326933 /nfs/dbraw/zinc/32/69/33/943326933.db2.gz QLDUWGHWATZSCR-IEBWSBKVSA-N 1 0 361.436 3.690 20 30 FHEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000425349215 943352237 /nfs/dbraw/zinc/35/22/37/943352237.db2.gz GGWJTAFQVGSITD-GZMMTYOYSA-N 1 0 373.092 3.576 20 30 FHEDRO CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000435355664 943352658 /nfs/dbraw/zinc/35/26/58/943352658.db2.gz PKZNLFYSZXNZCD-QFIPXVFZSA-N 1 0 373.500 3.713 20 30 FHEDRO CCC#CC(=O)N1Cc2ccccc2C2(CC[NH+](C3CCCC3)CC2)C1 ZINC001269949180 943361521 /nfs/dbraw/zinc/36/15/21/943361521.db2.gz FDJLTMXMHSEHID-UHFFFAOYSA-N 1 0 350.506 3.718 20 30 FHEDRO C=CCOc1ccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435396271 943390021 /nfs/dbraw/zinc/39/00/21/943390021.db2.gz XMLFFFOOVBKBTF-OAQYLSRUSA-N 1 0 351.494 3.791 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000505689632 943391022 /nfs/dbraw/zinc/39/10/22/943391022.db2.gz IQNHEQRYEOGWHL-JKSUJKDBSA-N 1 0 358.486 3.730 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000503901599 943399221 /nfs/dbraw/zinc/39/92/21/943399221.db2.gz LOSSLYOHAYZVHG-SFHVURJKSA-N 1 0 357.816 3.636 20 30 FHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1cccc(C)c1 ZINC000186981626 943404748 /nfs/dbraw/zinc/40/47/48/943404748.db2.gz KASHFFBTCLWHRI-UHFFFAOYSA-O 1 0 366.510 3.871 20 30 FHEDRO C=CCCC[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000503945803 943429442 /nfs/dbraw/zinc/42/94/42/943429442.db2.gz OHTPNQCVRMVICS-QGZVFWFLSA-N 1 0 354.498 3.586 20 30 FHEDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000435567412 943489743 /nfs/dbraw/zinc/48/97/43/943489743.db2.gz ZPUUWIWFWHBIJC-UHFFFAOYSA-N 1 0 372.513 3.931 20 30 FHEDRO C=CCC(F)(F)C(=O)N[C@@]12CC[C@@]([NH2+]Cc3scnc3C)(C1)CCC2 ZINC001270000985 943550648 /nfs/dbraw/zinc/55/06/48/943550648.db2.gz PIKWGNGGOMFELA-SJORKVTESA-N 1 0 369.481 3.714 20 30 FHEDRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417369816 943552067 /nfs/dbraw/zinc/55/20/67/943552067.db2.gz RQSVFTDOKJMPJH-PXAZEXFGSA-N 1 0 359.271 3.573 20 30 FHEDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417371687 943552909 /nfs/dbraw/zinc/55/29/09/943552909.db2.gz URYSEESWLFOYFE-BTYIYWSLSA-N 1 0 373.456 3.600 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000435697846 943563025 /nfs/dbraw/zinc/56/30/25/943563025.db2.gz UFLDROOOJQPXLF-UHFFFAOYSA-N 1 0 371.868 3.755 20 30 FHEDRO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000515223371 943579743 /nfs/dbraw/zinc/57/97/43/943579743.db2.gz RGJZFAVRFGLURY-HVETUWLQSA-N 1 0 374.488 3.822 20 30 FHEDRO C=C(C(=O)N[C@@]12CC[C@@]([NH2+]CCCC(F)(F)F)(C1)CCC2)C(F)(F)F ZINC001270007824 943583898 /nfs/dbraw/zinc/58/38/98/943583898.db2.gz FKPQNIBQZLGPCF-KGLIPLIRSA-N 1 0 372.353 3.999 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000435738398 943590708 /nfs/dbraw/zinc/59/07/08/943590708.db2.gz AFQUVFMVLCYLFM-KNQAVFIVSA-N 1 0 368.477 3.740 20 30 FHEDRO CC[C@@](C)(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000504580293 943677121 /nfs/dbraw/zinc/67/71/21/943677121.db2.gz RZIHRKYOGHMOBS-QHCPKHFHSA-N 1 0 361.489 3.860 20 30 FHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1F ZINC000424100966 943718867 /nfs/dbraw/zinc/71/88/67/943718867.db2.gz IOEBZNYBOJZQAX-INIZCTEOSA-N 1 0 371.412 3.895 20 30 FHEDRO C=CCNC(=O)c1ccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000424088405 943724680 /nfs/dbraw/zinc/72/46/80/943724680.db2.gz GVBDTJAWRJABQF-SFHVURJKSA-N 1 0 357.498 3.619 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424121427 943742092 /nfs/dbraw/zinc/74/20/92/943742092.db2.gz GAJSBOTVKIHOKL-CJNGLKHVSA-N 1 0 356.495 3.625 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424121424 943742172 /nfs/dbraw/zinc/74/21/72/943742172.db2.gz GAJSBOTVKIHOKL-BBRMVZONSA-N 1 0 356.495 3.625 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000424154611 943755631 /nfs/dbraw/zinc/75/56/31/943755631.db2.gz ONELZBWDNWQTQN-VQTJNVASSA-N 1 0 367.880 3.987 20 30 FHEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000435790855 943759777 /nfs/dbraw/zinc/75/97/77/943759777.db2.gz OCZQOZSAXBHMTE-UHFFFAOYSA-N 1 0 350.510 3.980 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000424179145 943762135 /nfs/dbraw/zinc/76/21/35/943762135.db2.gz YJFAKSYEZUCJOA-GOSISDBHSA-N 1 0 357.454 3.614 20 30 FHEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000424209122 943775125 /nfs/dbraw/zinc/77/51/25/943775125.db2.gz ZCTULSOMWSRITE-NQIIRXRSSA-N 1 0 357.461 3.775 20 30 FHEDRO CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000424192643 943779310 /nfs/dbraw/zinc/77/93/10/943779310.db2.gz JLNNELOFVOQCHX-WCQYABFASA-N 1 0 353.260 3.638 20 30 FHEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414903792 943782162 /nfs/dbraw/zinc/78/21/62/943782162.db2.gz LSJQSRGBPUHYBL-IRWQIABSSA-N 1 0 368.868 3.949 20 30 FHEDRO C[N@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437409750 943783097 /nfs/dbraw/zinc/78/30/97/943783097.db2.gz KPEVDSHPHKUPKD-UHFFFAOYSA-N 1 0 350.340 3.810 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCSc2ccccc21)c1ccc(C#N)cc1 ZINC000516874341 943784712 /nfs/dbraw/zinc/78/47/12/943784712.db2.gz ZMCZZCBVJMNJEE-CABCVRRESA-N 1 0 351.475 3.736 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000516914556 943823683 /nfs/dbraw/zinc/82/36/83/943823683.db2.gz LGTLCNGMUCQQDT-OAHLLOKOSA-N 1 0 350.422 3.553 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2[C@H](C)CC[C@@H]2C)c1C#N ZINC000123015538 943829608 /nfs/dbraw/zinc/82/96/08/943829608.db2.gz LXFNPEZWASUCFZ-GASCZTMLSA-N 1 0 368.481 3.819 20 30 FHEDRO C=CC[NH+](CC=C)CCN1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000197499268 943867996 /nfs/dbraw/zinc/86/79/96/943867996.db2.gz FFVMLKULWCCFQH-UHFFFAOYSA-N 1 0 370.541 3.634 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000506061532 943871682 /nfs/dbraw/zinc/87/16/82/943871682.db2.gz NSLBDIKBFIHMDP-LEWJYISDSA-N 1 0 367.489 3.653 20 30 FHEDRO N#Cc1ccccc1OCc1ccc(-c2nc(C3([NH3+])CCCCC3)no2)o1 ZINC000424344550 943874544 /nfs/dbraw/zinc/87/45/44/943874544.db2.gz LUNZRJOHBSDYNX-UHFFFAOYSA-N 1 0 364.405 3.898 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425425162 943874920 /nfs/dbraw/zinc/87/49/20/943874920.db2.gz OIMYIGVGZDUBGF-KSZLIROESA-N 1 0 356.514 3.629 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000425424831 943886361 /nfs/dbraw/zinc/88/63/61/943886361.db2.gz NVEQKRURDIAAJU-ZWKOTPCHSA-N 1 0 356.514 3.915 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)CC1 ZINC000516986973 943891449 /nfs/dbraw/zinc/89/14/49/943891449.db2.gz WRGWZFOOXUMISN-HXUWFJFHSA-N 1 0 355.526 3.610 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2([NH3+])CCC2)cc1Cl ZINC000414907596 943891661 /nfs/dbraw/zinc/89/16/61/943891661.db2.gz PRYLRXQCNXKHEE-QGZVFWFLSA-N 1 0 368.868 3.998 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCS[C@@H]3CCCC[C@H]32)c1C ZINC000437534741 943896331 /nfs/dbraw/zinc/89/63/31/943896331.db2.gz IYYDVRHZDAPNFN-WOJBJXKFSA-N 1 0 371.550 3.910 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000517023017 943924047 /nfs/dbraw/zinc/92/40/47/943924047.db2.gz RYAHFZNBFWCOTC-UHFFFAOYSA-N 1 0 362.277 3.626 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000515507667 943941277 /nfs/dbraw/zinc/94/12/77/943941277.db2.gz ISRVJKDQNAWGDD-WVWOOGAGSA-N 1 0 359.495 3.516 20 30 FHEDRO CCc1ccc(C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C2CC2)cc1 ZINC000515548015 943981789 /nfs/dbraw/zinc/98/17/89/943981789.db2.gz BPDLTVJVUFPKIB-NRFANRHFSA-N 1 0 350.462 3.525 20 30 FHEDRO Cc1cccc2c(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)coc21 ZINC000424592569 944011115 /nfs/dbraw/zinc/01/11/15/944011115.db2.gz BEKJUBBNXTVJMY-UHFFFAOYSA-N 1 0 361.445 3.817 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425464852 944015592 /nfs/dbraw/zinc/01/55/92/944015592.db2.gz AFIUOHHEQLGTJV-PXNSSMCTSA-N 1 0 356.514 3.771 20 30 FHEDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517132598 944033780 /nfs/dbraw/zinc/03/37/80/944033780.db2.gz YJEMGDRJVGGULC-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417984247 944037175 /nfs/dbraw/zinc/03/71/75/944037175.db2.gz CYQOKLBBXCMYFN-QRWLVFNGSA-N 1 0 350.466 3.569 20 30 FHEDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417984241 944037634 /nfs/dbraw/zinc/03/76/34/944037634.db2.gz CYQOKLBBXCMYFN-FOIQADDNSA-N 1 0 350.466 3.569 20 30 FHEDRO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417987308 944042717 /nfs/dbraw/zinc/04/27/17/944042717.db2.gz HLKBEXJUYRJFMH-CVEARBPZSA-N 1 0 350.466 3.583 20 30 FHEDRO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCOCC1 ZINC000424686114 944046870 /nfs/dbraw/zinc/04/68/70/944046870.db2.gz ULCXJTWMOMSMDZ-PZJWPPBQSA-N 1 0 370.537 3.871 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417998799 944047910 /nfs/dbraw/zinc/04/79/10/944047910.db2.gz VGALQHHVSOXOCK-KKSFZXQISA-N 1 0 362.477 3.637 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCC3CCCCC3)CC2)cc1 ZINC000505109511 944057791 /nfs/dbraw/zinc/05/77/91/944057791.db2.gz VKQCLPGSPLCGRZ-UHFFFAOYSA-N 1 0 368.525 3.746 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000437736694 944066107 /nfs/dbraw/zinc/06/61/07/944066107.db2.gz WWJJHSMUIQUTFC-MAUKXSAKSA-N 1 0 365.880 3.675 20 30 FHEDRO C=CCC1(C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)CCOCC1 ZINC000424706030 944079523 /nfs/dbraw/zinc/07/95/23/944079523.db2.gz AZYCCSFZOWQIOC-UHFFFAOYSA-N 1 0 362.558 3.718 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CCC(CC[NH2+]C)CC1)c1ccc(F)c(F)c1 ZINC000418029258 944081005 /nfs/dbraw/zinc/08/10/05/944081005.db2.gz LFVQWVPSLQESLP-GOSISDBHSA-N 1 0 351.441 3.613 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000425487955 944092399 /nfs/dbraw/zinc/09/23/99/944092399.db2.gz ZQCMANVGDYIXMB-WWMYMODYSA-N 1 0 356.514 3.771 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccccc1C(=O)N(C)C ZINC000418053741 944096868 /nfs/dbraw/zinc/09/68/68/944096868.db2.gz DAJURHOSRREULA-UHFFFAOYSA-N 1 0 354.498 3.744 20 30 FHEDRO C=C(C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 ZINC000436231999 944135659 /nfs/dbraw/zinc/13/56/59/944135659.db2.gz MTVYPNUOQGZNHA-UHFFFAOYSA-N 1 0 360.457 3.897 20 30 FHEDRO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000500125209 944140273 /nfs/dbraw/zinc/14/02/73/944140273.db2.gz TVQRCGZGUARYDT-HXUWFJFHSA-N 1 0 356.514 3.939 20 30 FHEDRO N#Cc1ccc(CSCC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000437843026 944157069 /nfs/dbraw/zinc/15/70/69/944157069.db2.gz MOKQJWGDXBXIPZ-FQEVSTJZSA-N 1 0 371.550 3.705 20 30 FHEDRO N#CC[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000437851772 944165816 /nfs/dbraw/zinc/16/58/16/944165816.db2.gz PIJAKJHKVXJLSF-TZIWHRDSSA-N 1 0 353.510 3.987 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000436307336 944190410 /nfs/dbraw/zinc/19/04/10/944190410.db2.gz RGWYUCKOODBPCX-RFUYNDQBSA-N 1 0 360.889 3.861 20 30 FHEDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000425528933 944238532 /nfs/dbraw/zinc/23/85/32/944238532.db2.gz AAJFTNVYQXASJA-AWEZNQCLSA-N 1 0 355.394 3.547 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000431971865 944239105 /nfs/dbraw/zinc/23/91/05/944239105.db2.gz VFTTUTBFPZEOGK-UHFFFAOYSA-N 1 0 362.433 3.734 20 30 FHEDRO N#Cc1nc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1Cl ZINC000518298498 944245394 /nfs/dbraw/zinc/24/53/94/944245394.db2.gz JYBDKOQICSMWCG-QGZVFWFLSA-N 1 0 361.276 3.931 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000425530365 944251781 /nfs/dbraw/zinc/25/17/81/944251781.db2.gz FABSCEINDYGWDN-OAHLLOKOSA-N 1 0 353.491 3.588 20 30 FHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC(=O)N2CCc3ccccc3C2)cc1 ZINC000261968245 944252369 /nfs/dbraw/zinc/25/23/69/944252369.db2.gz CFUPUACTXYSKEP-MRXNPFEDSA-N 1 0 364.493 3.512 20 30 FHEDRO Cn1cc([C@H]2CN(Cc3ccc(Br)cc3C#N)CC2(C)C)cn1 ZINC000517387502 944261426 /nfs/dbraw/zinc/26/14/26/944261426.db2.gz IBGBAFZBPVHLCE-QGZVFWFLSA-N 1 0 373.298 3.680 20 30 FHEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](Cc4ccccc4)C3)C2=O)cc1 ZINC000500214974 944277977 /nfs/dbraw/zinc/27/79/77/944277977.db2.gz ACEQCEUIOLGRKJ-UNMCSNQZSA-N 1 0 359.473 3.618 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@@H+]1C ZINC000438061999 944321495 /nfs/dbraw/zinc/32/14/95/944321495.db2.gz VQSDCSSPMCRVDF-MAUKXSAKSA-N 1 0 364.449 3.955 20 30 FHEDRO C=CCC[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000439086017 944325811 /nfs/dbraw/zinc/32/58/11/944325811.db2.gz OGIRQUFDGCYNIV-MRXNPFEDSA-N 1 0 351.288 3.513 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCCNc1cccc([C@H](C#N)C(=O)OC(C)(C)C)n1 ZINC001167750876 944334355 /nfs/dbraw/zinc/33/43/55/944334355.db2.gz FDRXAKNCSJMMEJ-IRXDYDNUSA-N 1 0 372.513 3.707 20 30 FHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000894636656 944345859 /nfs/dbraw/zinc/34/58/59/944345859.db2.gz ZYNXOBCUYZRZKM-KRWDZBQOSA-N 1 0 361.283 3.712 20 30 FHEDRO N#Cc1ccc2ncc(C[NH2+]C3CCC(Oc4ccccc4C#N)CC3)n2c1 ZINC000123733637 944407257 /nfs/dbraw/zinc/40/72/57/944407257.db2.gz LEWWSBOBALMOJX-UHFFFAOYSA-N 1 0 371.444 3.557 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2SCc2cscn2)CC1 ZINC000518501682 944434997 /nfs/dbraw/zinc/43/49/97/944434997.db2.gz MKXZTDUKNJNMPN-UHFFFAOYSA-N 1 0 373.547 3.816 20 30 FHEDRO N#CCOc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000048510267 944446739 /nfs/dbraw/zinc/44/67/39/944446739.db2.gz IVGOWNJXGISKLP-SFHVURJKSA-N 1 0 368.437 3.531 20 30 FHEDRO C=CCCO[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001125937464 944473578 /nfs/dbraw/zinc/47/35/78/944473578.db2.gz SROUQGYOMNTYRY-OAHLLOKOSA-N 1 0 372.431 3.577 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc(OCC#N)c1)c1ccsc1 ZINC000048510619 944474501 /nfs/dbraw/zinc/47/45/01/944474501.db2.gz GREBJZZUVNLACD-SFHVURJKSA-N 1 0 372.494 3.855 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000517647042 944479048 /nfs/dbraw/zinc/47/90/48/944479048.db2.gz SQLIQCICPRYQAC-HSZRJFAPSA-N 1 0 360.505 3.975 20 30 FHEDRO C[NH+](C)CC1(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCCCC1 ZINC000426670025 944505007 /nfs/dbraw/zinc/50/50/07/944505007.db2.gz CGAGIIJUTKZJNP-PMACEKPBSA-N 1 0 353.510 3.797 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000047010455 944518276 /nfs/dbraw/zinc/51/82/76/944518276.db2.gz CJMGIMPSPVZGSZ-JOCHJYFZSA-N 1 0 361.489 3.569 20 30 FHEDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000425606207 944519986 /nfs/dbraw/zinc/51/99/86/944519986.db2.gz MGVMYWSYOVYCQS-SFTDATJTSA-N 1 0 361.489 3.984 20 30 FHEDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000425606204 944520060 /nfs/dbraw/zinc/52/00/60/944520060.db2.gz MGVMYWSYOVYCQS-RTWAWAEBSA-N 1 0 361.489 3.984 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNc2c(C#N)cnc3c(Br)cccc32)C1 ZINC000584568588 944534175 /nfs/dbraw/zinc/53/41/75/944534175.db2.gz VMNRZFOOZIYBPT-GFCCVEGCSA-N 1 0 359.271 3.623 20 30 FHEDRO Cc1cccc(C2=CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000092821953 944545571 /nfs/dbraw/zinc/54/55/71/944545571.db2.gz BBHGTGYHESQKJW-JOCHJYFZSA-N 1 0 362.473 3.590 20 30 FHEDRO CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000516160492 944546016 /nfs/dbraw/zinc/54/60/16/944546016.db2.gz SQCFBEQTFWLIPL-OXJNMPFZSA-N 1 0 371.550 3.685 20 30 FHEDRO N#Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1Cl ZINC000517733890 944546737 /nfs/dbraw/zinc/54/67/37/944546737.db2.gz FCNXCSGDCFLWNQ-AZUAARDMSA-N 1 0 365.864 3.558 20 30 FHEDRO C=CCN1CC[C@@H]([N@H+](CC)[C@@H](C)Cc2ccccc2C(F)(F)F)C1=O ZINC000499771270 944578311 /nfs/dbraw/zinc/57/83/11/944578311.db2.gz HXPJIVAOTNHMQB-WMLDXEAASA-N 1 0 354.416 3.745 20 30 FHEDRO OC[C@@]1([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CCCc2ccccc21 ZINC000440472950 944584611 /nfs/dbraw/zinc/58/46/11/944584611.db2.gz YHPQKISKXOGVSH-FQEVSTJZSA-N 1 0 359.391 3.871 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(Cl)c1 ZINC000439427797 944598312 /nfs/dbraw/zinc/59/83/12/944598312.db2.gz BHQOTDQEWBPAPN-UHFFFAOYSA-N 1 0 359.901 3.873 20 30 FHEDRO CCOC(=O)CC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426399961 944670665 /nfs/dbraw/zinc/67/06/65/944670665.db2.gz AGFUSZIPKDRZMV-UHFFFAOYSA-N 1 0 353.384 3.722 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](OC)C2CC2)cc1OC ZINC000550276256 944673757 /nfs/dbraw/zinc/67/37/57/944673757.db2.gz GSSREUQSWFZAOX-MRXNPFEDSA-N 1 0 370.287 3.537 20 30 FHEDRO C[NH+](C)CC1(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCC1 ZINC000439497023 944704620 /nfs/dbraw/zinc/70/46/20/944704620.db2.gz WCCMWBQKRILOHG-UHFFFAOYSA-N 1 0 364.449 3.956 20 30 FHEDRO Cc1cccc2c1CN(CC(=O)[C@@H](C#N)c1nc3ccccc3s1)CC2 ZINC000759878760 944705075 /nfs/dbraw/zinc/70/50/75/944705075.db2.gz HFGJWKCYJKMPKN-MRXNPFEDSA-N 1 0 361.470 3.839 20 30 FHEDRO C[NH+](C)CC1(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCC1 ZINC000439520632 944723352 /nfs/dbraw/zinc/72/33/52/944723352.db2.gz ZNJCVWCEZGJKAB-UHFFFAOYSA-N 1 0 364.449 3.956 20 30 FHEDRO C=CCN(CC=C)C(=O)C[N@H+](Cc1cccc(Br)c1)C(C)C ZINC000517856111 944735880 /nfs/dbraw/zinc/73/58/80/944735880.db2.gz DALWDVLHORROSS-UHFFFAOYSA-N 1 0 365.315 3.860 20 30 FHEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(I)cc2Cl)C1 ZINC000500394112 944738910 /nfs/dbraw/zinc/73/89/10/944738910.db2.gz LDIVCQIUDQOEGM-SKDRFNHKSA-N 1 0 360.626 3.726 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000506613858 944754549 /nfs/dbraw/zinc/75/45/49/944754549.db2.gz FKRHOLLLKAJFSO-DLBZAZTESA-N 1 0 350.462 3.707 20 30 FHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000458809445 944762290 /nfs/dbraw/zinc/76/22/90/944762290.db2.gz AIXKHWWFUWETFX-MMKMLUHNSA-N 1 0 368.525 3.793 20 30 FHEDRO COc1ccccc1N1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000566777295 944805287 /nfs/dbraw/zinc/80/52/87/944805287.db2.gz JSEJICVLEVUEIL-HXUWFJFHSA-N 1 0 363.461 3.583 20 30 FHEDRO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@H]1CCCC1(C)C)C1CC1 ZINC000426836070 944855299 /nfs/dbraw/zinc/85/52/99/944855299.db2.gz SXQQQFUPDOIINA-UGKGYDQZSA-N 1 0 353.510 3.876 20 30 FHEDRO C[N@H+](CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CCCC1 ZINC000438630736 944864968 /nfs/dbraw/zinc/86/49/68/944864968.db2.gz UQFUOVDNLOPQNA-UHFFFAOYSA-N 1 0 354.376 3.573 20 30 FHEDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCSCc1ccccc1C#N ZINC000511664482 944879292 /nfs/dbraw/zinc/87/92/92/944879292.db2.gz GTLIXNIRRJIPIZ-HNNXBMFYSA-N 1 0 371.481 3.937 20 30 FHEDRO COC[C@@H]([NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C(C)C ZINC000541594222 944889028 /nfs/dbraw/zinc/88/90/28/944889028.db2.gz VDBXXCVCPHBUGR-HXUWFJFHSA-N 1 0 368.477 3.906 20 30 FHEDRO Fc1ccc(C#CC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000439727358 944910098 /nfs/dbraw/zinc/91/00/98/944910098.db2.gz LWFOKHFEIASVPT-UHFFFAOYSA-N 1 0 360.436 3.842 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000518004844 944924854 /nfs/dbraw/zinc/92/48/54/944924854.db2.gz BACGUYGAQJCHSM-UHFFFAOYSA-N 1 0 370.266 3.750 20 30 FHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1C#N ZINC000426482333 944929025 /nfs/dbraw/zinc/92/90/25/944929025.db2.gz KTHCDRWJCUTHBO-QFBILLFUSA-N 1 0 354.498 3.905 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000505938664 944947089 /nfs/dbraw/zinc/94/70/89/944947089.db2.gz ORFPRRXJOCXDJN-UHFFFAOYSA-N 1 0 371.843 3.699 20 30 FHEDRO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CC[C@H](O)CC1 ZINC000439786211 944968933 /nfs/dbraw/zinc/96/89/33/944968933.db2.gz IEWQIURKXHBDML-MEMLXQNLSA-N 1 0 350.462 3.873 20 30 FHEDRO CCCCCCCCC(=O)N[C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001270163615 944970109 /nfs/dbraw/zinc/97/01/09/944970109.db2.gz GWOBIIIESWKLEW-RTWAWAEBSA-N 1 0 351.579 3.850 20 30 FHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(C#N)cc2Cl)[NH+](C)C)c1 ZINC000426134869 945003841 /nfs/dbraw/zinc/00/38/41/945003841.db2.gz BCNIWCKUGMBBHQ-SFHVURJKSA-N 1 0 372.856 3.645 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000507176355 945008521 /nfs/dbraw/zinc/00/85/21/945008521.db2.gz FQSAIISQPRGITL-UHFFFAOYSA-N 1 0 365.452 3.981 20 30 FHEDRO CCC1(CC)[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@H]1OC ZINC000437089389 945008726 /nfs/dbraw/zinc/00/87/26/945008726.db2.gz UMOWGFXUVMPNHY-CSODTCANSA-N 1 0 357.498 3.827 20 30 FHEDRO CCC1(C)CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000507177295 945008883 /nfs/dbraw/zinc/00/88/83/945008883.db2.gz CUFORAVKFHXXDS-KRWDZBQOSA-N 1 0 357.498 3.842 20 30 FHEDRO COc1ccc([C@H](CNC(=O)c2cscc2C#N)[NH+]2CCCCC2)cc1 ZINC000432075989 945012498 /nfs/dbraw/zinc/01/24/98/945012498.db2.gz KUPHYKUGXOZHNG-IBGZPJMESA-N 1 0 369.490 3.585 20 30 FHEDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427022488 945020517 /nfs/dbraw/zinc/02/05/17/945020517.db2.gz NDCVMLWDGYANAX-QGZVFWFLSA-N 1 0 366.427 3.685 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@H]2C)CC1 ZINC000507174217 945023206 /nfs/dbraw/zinc/02/32/06/945023206.db2.gz CBWIJYMQFQZHEA-FOIQADDNSA-N 1 0 361.917 3.915 20 30 FHEDRO COc1ccc([C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)C(C)C)cc1 ZINC000438781861 945025669 /nfs/dbraw/zinc/02/56/69/945025669.db2.gz BMLBMDAEJVWZEF-NRFANRHFSA-N 1 0 351.450 3.882 20 30 FHEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000438783280 945026773 /nfs/dbraw/zinc/02/67/73/945026773.db2.gz PECURASTBQXNLU-SFHVURJKSA-N 1 0 367.880 3.746 20 30 FHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000438783277 945026845 /nfs/dbraw/zinc/02/68/45/945026845.db2.gz PECURASTBQXNLU-GOSISDBHSA-N 1 0 367.880 3.746 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000426167271 945050476 /nfs/dbraw/zinc/05/04/76/945050476.db2.gz SGPLRHWGPAANMD-YOEHRIQHSA-N 1 0 368.868 3.996 20 30 FHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000507612456 945375228 /nfs/dbraw/zinc/37/52/28/945375228.db2.gz CJQIRBOHGJZPRI-FXAWDEMLSA-N 1 0 350.462 3.817 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000426623566 945380425 /nfs/dbraw/zinc/38/04/25/945380425.db2.gz PBBJUVPEPJCSHO-CYBMUJFWSA-N 1 0 359.271 3.915 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000426623567 945380928 /nfs/dbraw/zinc/38/09/28/945380928.db2.gz PBBJUVPEPJCSHO-ZDUSSCGKSA-N 1 0 359.271 3.915 20 30 FHEDRO CC(C)C1CCC([NH+]2CCN(CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000440317513 945398074 /nfs/dbraw/zinc/39/80/74/945398074.db2.gz PWQMHWNUQLHIOF-UHFFFAOYSA-N 1 0 355.526 3.769 20 30 FHEDRO Cc1ccc2c(c1)[C@H](NC(=O)NCC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000330195942 945398132 /nfs/dbraw/zinc/39/81/32/945398132.db2.gz PLKFAYDZKVAUGH-HXUWFJFHSA-N 1 0 371.525 3.521 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000330211388 945405053 /nfs/dbraw/zinc/40/50/53/945405053.db2.gz JEVZEGXDYIKUBF-MLGOLLRUSA-N 1 0 361.442 3.517 20 30 FHEDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000330223622 945410922 /nfs/dbraw/zinc/41/09/22/945410922.db2.gz NELHWAOVYGZIOS-WOJBJXKFSA-N 1 0 371.525 3.646 20 30 FHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCOc1ccc(C#N)cc1 ZINC000507667151 945418579 /nfs/dbraw/zinc/41/85/79/945418579.db2.gz AUTOCDDYAJNPRJ-UHFFFAOYSA-N 1 0 360.461 3.892 20 30 FHEDRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330260569 945431951 /nfs/dbraw/zinc/43/19/51/945431951.db2.gz SSZAQMKYWKGDTJ-BQFCYCMXSA-N 1 0 360.498 3.850 20 30 FHEDRO CCNC(=O)N1CCc2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cc21 ZINC000330287171 945446757 /nfs/dbraw/zinc/44/67/57/945446757.db2.gz CDMSZZMTIPLOGA-QGZVFWFLSA-N 1 0 358.486 3.836 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc3n(n2)CCCO3)c2cccs2)CC1 ZINC000330290720 945459438 /nfs/dbraw/zinc/45/94/38/945459438.db2.gz GBPTVVPJUBHMIJ-INIZCTEOSA-N 1 0 374.510 3.505 20 30 FHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000519493660 945475421 /nfs/dbraw/zinc/47/54/21/945475421.db2.gz MUNRILJCLJHLRE-MRXNPFEDSA-N 1 0 369.465 3.580 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000519504738 945507416 /nfs/dbraw/zinc/50/74/16/945507416.db2.gz IGIXUJPMDRMTSH-JOCHJYFZSA-N 1 0 365.521 3.600 20 30 FHEDRO C=CCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1cccc(C)c1 ZINC000027059546 945510231 /nfs/dbraw/zinc/51/02/31/945510231.db2.gz UCDKHSDBCMPRTM-UHFFFAOYSA-O 1 0 351.451 3.743 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000660801157 945514517 /nfs/dbraw/zinc/51/45/17/945514517.db2.gz ONOUKNBROOKBAW-MJUUVYJYSA-N 1 0 353.510 3.790 20 30 FHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000330316295 945538141 /nfs/dbraw/zinc/53/81/41/945538141.db2.gz ZFVRMWNKBHUETD-WBVHZDCISA-N 1 0 361.461 3.542 20 30 FHEDRO CCc1nc(C)c(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000330319956 945544376 /nfs/dbraw/zinc/54/43/76/945544376.db2.gz DSMCIHRNAAMTLV-UHFFFAOYSA-N 1 0 359.499 3.651 20 30 FHEDRO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C#N)[C@@H]2C1 ZINC001270804374 945566815 /nfs/dbraw/zinc/56/68/15/945566815.db2.gz PBEZAIGYOSDICG-SLYNCCJLSA-N 1 0 353.510 3.921 20 30 FHEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Br)cn1 ZINC000281294728 945589954 /nfs/dbraw/zinc/58/99/54/945589954.db2.gz JNDXFJUHRZNAMT-CYBMUJFWSA-N 1 0 352.276 3.595 20 30 FHEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)Cc1ccsc1 ZINC000187799045 945599011 /nfs/dbraw/zinc/59/90/11/945599011.db2.gz AJOCNBGROKZFAB-QGZVFWFLSA-N 1 0 355.507 3.948 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000487454417 945619555 /nfs/dbraw/zinc/61/95/55/945619555.db2.gz WHBMHCYKXNEJIZ-HUUCEWRRSA-N 1 0 370.415 3.873 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000661001773 945633594 /nfs/dbraw/zinc/63/35/94/945633594.db2.gz KGRVWJDPLBCOPA-SFHLNBCPSA-N 1 0 355.526 3.895 20 30 FHEDRO N#CCCOCC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000549526956 945659502 /nfs/dbraw/zinc/65/95/02/945659502.db2.gz GCQULQIPIQMUJC-UHFFFAOYSA-N 1 0 370.280 3.574 20 30 FHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000651687936 945663351 /nfs/dbraw/zinc/66/33/51/945663351.db2.gz VXTJCZDSGKODNI-IIMDRIAPSA-N 1 0 356.510 3.770 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccccc1 ZINC000027311077 945693479 /nfs/dbraw/zinc/69/34/79/945693479.db2.gz VRKRORWXGSCHCW-UHFFFAOYSA-O 1 0 365.522 3.957 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]2CCC[C@H]21 ZINC000550071352 945709899 /nfs/dbraw/zinc/70/98/99/945709899.db2.gz YNYIFGOFZCNPKI-CVEARBPZSA-N 1 0 357.523 3.948 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000110663356 945716895 /nfs/dbraw/zinc/71/68/95/945716895.db2.gz KWFKBJSBMWEVRK-CABCVRRESA-N 1 0 368.308 3.791 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000661115491 945739647 /nfs/dbraw/zinc/73/96/47/945739647.db2.gz CYMGIQWYGMYMCN-FXAWDEMLSA-N 1 0 371.525 3.832 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000661118132 945744464 /nfs/dbraw/zinc/74/44/64/945744464.db2.gz WWLZYMBBNGBAOI-CTNGQTDRSA-N 1 0 370.537 3.576 20 30 FHEDRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000262372103 945803068 /nfs/dbraw/zinc/80/30/68/945803068.db2.gz WVOVIOOUKFSGGP-UHFFFAOYSA-N 1 0 373.504 3.964 20 30 FHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(C#N)cc1Cl ZINC000439692255 945884020 /nfs/dbraw/zinc/88/40/20/945884020.db2.gz JBTIAXZBAFIGTH-QGZVFWFLSA-N 1 0 354.885 3.955 20 30 FHEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)cc1OC ZINC000281891146 945904426 /nfs/dbraw/zinc/90/44/26/945904426.db2.gz DVUAXJOGUPZOIH-GOSISDBHSA-N 1 0 358.482 3.941 20 30 FHEDRO N#CC1CCC(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000281911316 945916972 /nfs/dbraw/zinc/91/69/72/945916972.db2.gz RHNZGTXFFOFSFC-ABHNRTSZSA-N 1 0 374.554 3.589 20 30 FHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000121301668 945951076 /nfs/dbraw/zinc/95/10/76/945951076.db2.gz IDVHNLDYEGVFGL-AWEZNQCLSA-N 1 0 360.479 3.531 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2cnn(-c3cccc(F)c3)c2CCC)CCC[NH2+]1 ZINC000662804793 946029894 /nfs/dbraw/zinc/02/98/94/946029894.db2.gz SZGRFVAITCVYOJ-FQEVSTJZSA-N 1 0 356.445 3.601 20 30 FHEDRO CSCCCNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccccc1 ZINC000027481228 946078130 /nfs/dbraw/zinc/07/81/30/946078130.db2.gz UVOYAPUHHGARLL-UHFFFAOYSA-O 1 0 359.540 3.564 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000661415600 946082435 /nfs/dbraw/zinc/08/24/35/946082435.db2.gz TXEYCUJYLIUZGM-AZUAARDMSA-N 1 0 356.514 3.732 20 30 FHEDRO Cc1ccccc1CN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000520170073 946220465 /nfs/dbraw/zinc/22/04/65/946220465.db2.gz YPIAFLASPGVTFO-HSZRJFAPSA-N 1 0 361.489 3.806 20 30 FHEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103165178 946227348 /nfs/dbraw/zinc/22/73/48/946227348.db2.gz UMXYUACIGUCOGN-JKSUJKDBSA-N 1 0 356.441 3.746 20 30 FHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508481925 946268962 /nfs/dbraw/zinc/26/89/62/946268962.db2.gz VAIATZQQVCMKSG-GOSISDBHSA-N 1 0 368.529 3.552 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000151887471 946294561 /nfs/dbraw/zinc/29/45/61/946294561.db2.gz ATULEUNMDNGUCL-HDICACEKSA-N 1 0 371.525 3.590 20 30 FHEDRO C=CCn1c(C(C)C)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000508482605 946313691 /nfs/dbraw/zinc/31/36/91/946313691.db2.gz YZUSALROVKNLBQ-UHFFFAOYSA-N 1 0 359.562 3.926 20 30 FHEDRO C[NH+]=C(NCc1csc(-c2ccccc2)n1)NCc1sc(C)nc1C ZINC000262422962 946319559 /nfs/dbraw/zinc/31/95/59/946319559.db2.gz RFQWWPYNQMCWME-UHFFFAOYSA-N 1 0 371.535 3.749 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000652150946 946385547 /nfs/dbraw/zinc/38/55/47/946385547.db2.gz DGABYWFQDKVSEO-SFHVURJKSA-N 1 0 362.514 3.794 20 30 FHEDRO C=CCn1c(C)cc(C(=O)CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1C ZINC000661664781 946394211 /nfs/dbraw/zinc/39/42/11/946394211.db2.gz LHXQFJLHFGGGKE-LEWJYISDSA-N 1 0 366.505 3.572 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186085347 946457628 /nfs/dbraw/zinc/45/76/28/946457628.db2.gz FPMDHZXGRXTEED-GOSISDBHSA-N 1 0 356.514 3.743 20 30 FHEDRO Cc1cc(C#N)ccc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000186162114 946548322 /nfs/dbraw/zinc/54/83/22/946548322.db2.gz WHRUCOVCOUQBHQ-UHFFFAOYSA-N 1 0 359.473 3.924 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)NCc2ccccc2Oc2cccc(C)c2)CC1 ZINC000303332819 946553756 /nfs/dbraw/zinc/55/37/56/946553756.db2.gz UQCZPZQEZXZCRU-UHFFFAOYSA-N 1 0 362.473 3.749 20 30 FHEDRO C[NH+]=C(NCc1ccco1)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000303405503 946574979 /nfs/dbraw/zinc/57/49/79/946574979.db2.gz QGIYGHRTDKUDOK-UHFFFAOYSA-N 1 0 353.388 3.941 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@]2(O)CCCc3ccccc32)c1 ZINC000066906319 946606525 /nfs/dbraw/zinc/60/65/25/946606525.db2.gz ONGIXQVHWARCIW-QFIPXVFZSA-N 1 0 350.462 3.683 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000112545802 946655816 /nfs/dbraw/zinc/65/58/16/946655816.db2.gz CCGUKIJURHNVRQ-GOEBONIOSA-N 1 0 370.522 3.838 20 30 FHEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186245347 946665460 /nfs/dbraw/zinc/66/54/60/946665460.db2.gz WPEUBVJZIAABCL-UHFFFAOYSA-N 1 0 351.406 3.818 20 30 FHEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000475206152 946721285 /nfs/dbraw/zinc/72/12/85/946721285.db2.gz NARNBELDUXIGDX-ACRUOGEOSA-N 1 0 353.510 3.854 20 30 FHEDRO C=CCn1c2ccccc2n(CN2CCN(c3cc[nH+]cc3)CC2)c1=S ZINC000026553415 946757018 /nfs/dbraw/zinc/75/70/18/946757018.db2.gz XZEPMIUGYHLHCC-UHFFFAOYSA-N 1 0 365.506 3.533 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N[C@H](C)c2ccc(OCC)c(OC)c2)CCCC1 ZINC000661862887 946780337 /nfs/dbraw/zinc/78/03/37/946780337.db2.gz IELZWSRQHLEDTB-MRXNPFEDSA-N 1 0 360.498 3.750 20 30 FHEDRO CC1CC[NH+](CCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000609991273 946809666 /nfs/dbraw/zinc/80/96/66/946809666.db2.gz OXDHFKZESNBAHU-UHFFFAOYSA-N 1 0 362.477 3.764 20 30 FHEDRO COc1ccc(C[C@H](C)CNC(=[NH2+])Nc2ccc(C)c(C)c2)cc1OC ZINC000305674758 946856761 /nfs/dbraw/zinc/85/67/61/946856761.db2.gz KSQFVMDKEDYREJ-AWEZNQCLSA-N 1 0 355.482 3.926 20 30 FHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCc2cc(F)c(F)c(F)c2)cc1 ZINC000305884165 946877817 /nfs/dbraw/zinc/87/78/17/946877817.db2.gz WYHOFZKDYQNRGE-UHFFFAOYSA-N 1 0 351.372 3.860 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)c1ccco1 ZINC000475316955 946881228 /nfs/dbraw/zinc/88/12/28/946881228.db2.gz IMKXKLDKRZFPSF-MOPGFXCFSA-N 1 0 353.466 3.866 20 30 FHEDRO N#CC[C@@H](CC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000475326115 946886685 /nfs/dbraw/zinc/88/66/85/946886685.db2.gz RVDPWYNOHSASBV-NRFANRHFSA-N 1 0 353.510 3.798 20 30 FHEDRO C[C@H](NC(=[NH2+])NC[C@](C)(O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000262551307 946914737 /nfs/dbraw/zinc/91/47/37/946914737.db2.gz YJRQNGFWCISNNT-QFYYESIMSA-N 1 0 372.321 3.928 20 30 FHEDRO Cc1cnc([C@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000328618843 946959840 /nfs/dbraw/zinc/95/98/40/946959840.db2.gz VLTSTDCDPCVCHL-RHSMWYFYSA-N 1 0 364.559 3.856 20 30 FHEDRO CC1CCC(NC(=O)CN2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000328651493 946965393 /nfs/dbraw/zinc/96/53/93/946965393.db2.gz JVURFNISZIAZRC-LXPRWKDFSA-N 1 0 358.530 3.934 20 30 FHEDRO Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)CCC2 ZINC000328663751 946970538 /nfs/dbraw/zinc/97/05/38/946970538.db2.gz YDINDTYBJXBXKO-OALUTQOASA-N 1 0 352.482 3.690 20 30 FHEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccnc(Sc3ccccn3)c2)CC[N@@H+]1C ZINC000328600485 946978049 /nfs/dbraw/zinc/97/80/49/946978049.db2.gz DATHHBZOILBBBG-HOCLYGCPSA-N 1 0 371.510 3.588 20 30 FHEDRO C=CCn1c(CC(C)C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508475245 946983434 /nfs/dbraw/zinc/98/34/34/946983434.db2.gz YBSHMJHYOKBODB-RTBURBONSA-N 1 0 359.562 3.753 20 30 FHEDRO CN1CC[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)[C@H]1c1ccc(Cl)cc1 ZINC000328687823 946987980 /nfs/dbraw/zinc/98/79/80/946987980.db2.gz ZIZZNKMZGJOAPT-DKSSEZFCSA-N 1 0 372.900 3.580 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000066921108 946989298 /nfs/dbraw/zinc/98/92/98/946989298.db2.gz KXXAGEBCKCBVBZ-UHFFFAOYSA-N 1 0 365.304 3.830 20 30 FHEDRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328690565 946989684 /nfs/dbraw/zinc/98/96/84/946989684.db2.gz BSYSPICNTPCLAC-NBYUQASBSA-N 1 0 374.525 3.957 20 30 FHEDRO CC[NH+]=C(NCc1cc(C)cc2c(C)c(C)[nH]c21)N1CC[C@H](COC)C1 ZINC000262479405 947006901 /nfs/dbraw/zinc/00/69/01/947006901.db2.gz RBGHJIVIORMCRK-KRWDZBQOSA-N 1 0 356.514 3.527 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)c2coc(C3CCOCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000328743509 947006965 /nfs/dbraw/zinc/00/69/65/947006965.db2.gz NLOPKKYMKVFUMC-QAPCUYQASA-N 1 0 369.465 3.536 20 30 FHEDRO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)sc1C ZINC000328753168 947010593 /nfs/dbraw/zinc/01/05/93/947010593.db2.gz SDQFDRCGWWJJEW-JWZBEHFJSA-N 1 0 365.543 3.863 20 30 FHEDRO C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000328756254 947012428 /nfs/dbraw/zinc/01/24/28/947012428.db2.gz UCQVAKZHVSIESY-MRXNPFEDSA-N 1 0 351.535 3.635 20 30 FHEDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)c2ncccc12 ZINC000328763332 947017126 /nfs/dbraw/zinc/01/71/26/947017126.db2.gz ZKJJQPCMHSUAND-CQSZACIVSA-N 1 0 373.884 3.694 20 30 FHEDRO Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000328775035 947021890 /nfs/dbraw/zinc/02/18/90/947021890.db2.gz KLEMCHOZWNRCCC-UHFFFAOYSA-N 1 0 368.525 3.883 20 30 FHEDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328809659 947030880 /nfs/dbraw/zinc/03/08/80/947030880.db2.gz ODQBHSCZAFHAJR-GOEBONIOSA-N 1 0 358.442 3.531 20 30 FHEDRO CC(C)C[N@H+](CCCC1(C#N)CCOCC1)C[C@@H](O)c1ccc(F)cc1 ZINC000281999286 947039779 /nfs/dbraw/zinc/03/97/79/947039779.db2.gz NLDCRMKLOSMTQU-HXUWFJFHSA-N 1 0 362.489 3.918 20 30 FHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1 ZINC000328823733 947040193 /nfs/dbraw/zinc/04/01/93/947040193.db2.gz IMMGQYQFHAJHQS-NXHRZFHOSA-N 1 0 363.465 3.918 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C ZINC000328826038 947042620 /nfs/dbraw/zinc/04/26/20/947042620.db2.gz QCGJCWUINSXONW-GDBMZVCRSA-N 1 0 358.486 3.538 20 30 FHEDRO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000444635322 947047728 /nfs/dbraw/zinc/04/77/28/947047728.db2.gz AKGFTVTUJUETML-UHFFFAOYSA-N 1 0 359.489 3.874 20 30 FHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCC(=O)NC3CCCC3)C2)CC1 ZINC000328800455 947051808 /nfs/dbraw/zinc/05/18/08/947051808.db2.gz YKWRXUOXEAEACG-SFHVURJKSA-N 1 0 363.546 3.636 20 30 FHEDRO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328838125 947059048 /nfs/dbraw/zinc/05/90/48/947059048.db2.gz NHUUIULXRXEQSQ-WBVHZDCISA-N 1 0 353.466 3.960 20 30 FHEDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328894404 947085365 /nfs/dbraw/zinc/08/53/65/947085365.db2.gz VPSVMNMBVIODRB-RTWAWAEBSA-N 1 0 371.525 3.634 20 30 FHEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc(OC)c1OC ZINC000237277069 947085729 /nfs/dbraw/zinc/08/57/29/947085729.db2.gz JYSNARJYOWZLGJ-GJZGRUSLSA-N 1 0 370.449 3.854 20 30 FHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC(=O)[C@H](C)C3)CC2)cc1 ZINC000328896632 947086230 /nfs/dbraw/zinc/08/62/30/947086230.db2.gz CETLKGRMORIVNQ-VQIMIIECSA-N 1 0 372.509 3.869 20 30 FHEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328947024 947097655 /nfs/dbraw/zinc/09/76/55/947097655.db2.gz VRKPICOZZDMSIS-WOJBJXKFSA-N 1 0 370.472 3.754 20 30 FHEDRO C[N@@H+]1C[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)[C@@H](c2ccccc2)C1 ZINC000328950263 947098549 /nfs/dbraw/zinc/09/85/49/947098549.db2.gz WWKOODCITCPBJJ-MJGOQNOKSA-N 1 0 366.509 3.918 20 30 FHEDRO O=C(COc1ccc(Cl)c2cccnc12)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328955033 947100932 /nfs/dbraw/zinc/10/09/32/947100932.db2.gz YREULJBPXMDLHJ-CVEARBPZSA-N 1 0 359.857 3.850 20 30 FHEDRO Cc1c(Cl)cccc1N1CCCN([C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000328907728 947104014 /nfs/dbraw/zinc/10/40/14/947104014.db2.gz LSIYCUGICLWMFB-HNNXBMFYSA-N 1 0 373.888 3.627 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000049798421 947156919 /nfs/dbraw/zinc/15/69/19/947156919.db2.gz BUMIZHQLIGFKRV-GOSISDBHSA-N 1 0 361.486 3.888 20 30 FHEDRO C[C@@H](CNC(=O)Nc1ncc(C(F)(F)F)s1)[NH+]1CCC(C)CC1 ZINC000330420752 947171333 /nfs/dbraw/zinc/17/13/33/947171333.db2.gz CZVIGNOVZHSVIX-JTQLQIEISA-N 1 0 350.410 3.608 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F ZINC000330531016 947211771 /nfs/dbraw/zinc/21/17/71/947211771.db2.gz GODAACMHTJXFMV-LBPRGKRZSA-N 1 0 360.424 3.836 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000662083280 947218973 /nfs/dbraw/zinc/21/89/73/947218973.db2.gz BBDXBUFTXUTUDF-FUHIMQAGSA-N 1 0 370.493 3.550 20 30 FHEDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC000330908300 947307341 /nfs/dbraw/zinc/30/73/41/947307341.db2.gz OKMGCFBQGRLLOC-GDBMZVCRSA-N 1 0 360.502 3.716 20 30 FHEDRO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000248730018 947311339 /nfs/dbraw/zinc/31/13/39/947311339.db2.gz JAUBOAXYCGNFEG-CDXJDZJCSA-N 1 0 363.461 3.643 20 30 FHEDRO CCCOc1c(Cl)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000330916194 947320967 /nfs/dbraw/zinc/32/09/67/947320967.db2.gz UWFAMAQGONYOLQ-GXTWGEPZSA-N 1 0 354.878 3.925 20 30 FHEDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nc(C(C)(C)C)nc2SC)C1 ZINC000330981605 947326157 /nfs/dbraw/zinc/32/61/57/947326157.db2.gz NYZHKPPXCQWCIN-CYBMUJFWSA-N 1 0 350.532 3.593 20 30 FHEDRO C=CCNC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc1 ZINC000301405835 947329320 /nfs/dbraw/zinc/32/93/20/947329320.db2.gz GPGXXLHAFXSITI-DNVCBOLYSA-N 1 0 370.522 3.554 20 30 FHEDRO CSc1nc(C(C)(C)C)nc(C)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000331008025 947331730 /nfs/dbraw/zinc/33/17/30/947331730.db2.gz TZSCBQZWOOQHMM-UHFFFAOYSA-N 1 0 364.559 3.982 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000662148192 947373499 /nfs/dbraw/zinc/37/34/99/947373499.db2.gz YGNNAFLFPRYNAQ-SFHVURJKSA-N 1 0 355.507 3.720 20 30 FHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000909613547 947383482 /nfs/dbraw/zinc/38/34/82/947383482.db2.gz PSZPOBCYESSRNO-NRFANRHFSA-N 1 0 362.477 3.536 20 30 FHEDRO N#CCc1cccc2c1CC[N@@H+](C[C@H](O)Cc1ccc3ccccc3c1)C2 ZINC000599676536 947409938 /nfs/dbraw/zinc/40/99/38/947409938.db2.gz BDZDKGZBTIOWJH-HSZRJFAPSA-N 1 0 356.469 3.868 20 30 FHEDRO COc1cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1OC ZINC000093872408 947427251 /nfs/dbraw/zinc/42/72/51/947427251.db2.gz BWSMTZTUARBXRN-RBUKOAKNSA-N 1 0 366.461 3.984 20 30 FHEDRO C=CCC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC001573333923 947443795 /nfs/dbraw/zinc/44/37/95/947443795.db2.gz HYPOXQNQVOGPDN-KRWDZBQOSA-N 1 0 364.409 3.572 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1 ZINC000441452910 947492278 /nfs/dbraw/zinc/49/22/78/947492278.db2.gz AADXYLDZRPRBPJ-LQWHRVPQSA-N 1 0 369.509 3.985 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1 ZINC000441452902 947492689 /nfs/dbraw/zinc/49/26/89/947492689.db2.gz AADXYLDZRPRBPJ-DBXWQHBBSA-N 1 0 369.509 3.985 20 30 FHEDRO C=CC[C@H]1N(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CCCC1(C)C ZINC000445100391 947513835 /nfs/dbraw/zinc/51/38/35/947513835.db2.gz KKPMRVVIVKMEIA-GOSISDBHSA-N 1 0 365.562 3.652 20 30 FHEDRO C[NH+](C)CCN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000567965793 947541787 /nfs/dbraw/zinc/54/17/87/947541787.db2.gz BYORDYNZCBPYOW-FNORWQNLSA-N 1 0 364.449 3.543 20 30 FHEDRO CC(C)c1ccc([C@H](C)NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000330257133 947555288 /nfs/dbraw/zinc/55/52/88/947555288.db2.gz LFGWBSKZISWOJX-INIZCTEOSA-N 1 0 369.513 3.782 20 30 FHEDRO CC/C(=C\C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000728862602 947802000 /nfs/dbraw/zinc/80/20/00/947802000.db2.gz BSASMZQOTXZCBJ-LTGZKZEYSA-N 1 0 361.489 3.942 20 30 FHEDRO C#Cc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)nc1 ZINC000728862075 947805717 /nfs/dbraw/zinc/80/57/17/947805717.db2.gz SJOWSGGZMCSATP-UHFFFAOYSA-N 1 0 361.489 3.757 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNc1nc(C2CCOCC2)ns1)C(C)C ZINC000663381840 947891677 /nfs/dbraw/zinc/89/16/77/947891677.db2.gz WVBZLRNQTYIHCE-INIZCTEOSA-N 1 0 350.532 3.543 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)CCC[NH2+]1 ZINC000662537271 947900242 /nfs/dbraw/zinc/90/02/42/947900242.db2.gz ZIMBDTAFDNOROG-VGSWGCGISA-N 1 0 369.509 3.646 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(C(C)C)CC1 ZINC000441487005 947968896 /nfs/dbraw/zinc/96/88/96/947968896.db2.gz NZTYLHONCUVTKA-QGZVFWFLSA-N 1 0 357.498 3.698 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(Br)cc1 ZINC000105422561 948029847 /nfs/dbraw/zinc/02/98/47/948029847.db2.gz JMZDWPQLHHMUSI-UHFFFAOYSA-N 1 0 372.266 3.781 20 30 FHEDRO C=C(C)C[NH+]1CCC(NCc2c(C)nn(-c3ccccc3)c2Cl)CC1 ZINC000106245967 948111778 /nfs/dbraw/zinc/11/17/78/948111778.db2.gz QWBXBIUWPRVGIY-UHFFFAOYSA-N 1 0 358.917 3.964 20 30 FHEDRO C=CCC(C)(C)CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000458812764 948142879 /nfs/dbraw/zinc/14/28/79/948142879.db2.gz RFGMOEFHGABLCU-PMACEKPBSA-N 1 0 355.526 3.752 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(C(C)(C)C)s1 ZINC000141479025 948227314 /nfs/dbraw/zinc/22/73/14/948227314.db2.gz YMIQIQZONRKTEW-UHFFFAOYSA-N 1 0 370.522 3.516 20 30 FHEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H](C)COC ZINC000663583201 948251231 /nfs/dbraw/zinc/25/12/31/948251231.db2.gz REXHEXYIYDEVPR-MOPGFXCFSA-N 1 0 373.541 3.651 20 30 FHEDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000585755440 948267599 /nfs/dbraw/zinc/26/75/99/948267599.db2.gz UHOGCJNJNRRZHJ-UTKZUKDTSA-N 1 0 364.489 3.998 20 30 FHEDRO Cc1ccc(SC2(C[NH2+][C@H](C)C(=O)N(C)CCC#N)CCCC2)cc1 ZINC000432375863 948275299 /nfs/dbraw/zinc/27/52/99/948275299.db2.gz UBXSFAUFHJTXFE-QGZVFWFLSA-N 1 0 359.539 3.750 20 30 FHEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(F)c(Br)c1 ZINC000585766593 948277562 /nfs/dbraw/zinc/27/75/62/948277562.db2.gz SUWSJXCUYKKNPD-LLVKDONJSA-N 1 0 373.229 3.958 20 30 FHEDRO Cc1ccc(C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C2CC2)cc1 ZINC000585794446 948300529 /nfs/dbraw/zinc/30/05/29/948300529.db2.gz WDMIEVAPNJXPRX-QFIPXVFZSA-N 1 0 360.505 3.841 20 30 FHEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000459111850 948328641 /nfs/dbraw/zinc/32/86/41/948328641.db2.gz SJWSFBDHLAOPAC-HXUWFJFHSA-N 1 0 356.514 3.600 20 30 FHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000574692703 948331055 /nfs/dbraw/zinc/33/10/55/948331055.db2.gz XFUSGMLEFLCVNU-UHFFFAOYSA-N 1 0 373.460 3.619 20 30 FHEDRO C#CCCCCNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000893634460 948349961 /nfs/dbraw/zinc/34/99/61/948349961.db2.gz BNZJCKKMBZRWQO-UHFFFAOYSA-N 1 0 353.510 3.587 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[NH+](CC)CC)cc1 ZINC000432445343 948437894 /nfs/dbraw/zinc/43/78/94/948437894.db2.gz UMNZDKIAHHPUDV-HXUWFJFHSA-N 1 0 370.541 3.967 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000190676041 948444649 /nfs/dbraw/zinc/44/46/49/948444649.db2.gz CHQWNJOSUQQLEF-GOSISDBHSA-N 1 0 369.431 3.671 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183801423 948470020 /nfs/dbraw/zinc/47/00/20/948470020.db2.gz FSFIWGKHQKKKKC-IEBWSBKVSA-N 1 0 365.562 3.795 20 30 FHEDRO CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107385433 948494058 /nfs/dbraw/zinc/49/40/58/948494058.db2.gz XJQRAEFEQPQKBW-UHFFFAOYSA-N 1 0 366.465 3.553 20 30 FHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CC1(CC)CCOCC1 ZINC000319803518 948530541 /nfs/dbraw/zinc/53/05/41/948530541.db2.gz CSZJMMJLOWBDSC-UHFFFAOYSA-N 1 0 366.299 3.758 20 30 FHEDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1 ZINC000432492036 948583701 /nfs/dbraw/zinc/58/37/01/948583701.db2.gz XLVWPNIFBZPUTD-UHFFFAOYSA-N 1 0 350.466 3.718 20 30 FHEDRO Cc1cc(C)nc(N=NC(C)c2ccc(O)c(C[NH+]3CCCCC3)c2)n1 ZINC000040161950 948623227 /nfs/dbraw/zinc/62/32/27/948623227.db2.gz FXISRBUZEPVHPA-KQWNVCNZSA-N 1 0 353.470 3.621 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)CC1 ZINC000536455227 948651146 /nfs/dbraw/zinc/65/11/46/948651146.db2.gz NIVNXDWZFAKRQP-UHFFFAOYSA-N 1 0 373.497 3.722 20 30 FHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000438640279 948777740 /nfs/dbraw/zinc/77/77/40/948777740.db2.gz GDZVSXPKGHMDMI-QWHCGFSZSA-N 1 0 368.403 3.819 20 30 FHEDRO C=C[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@@H](OC(C)=O)c1ccnc2ccc(OC)cc21 ZINC000136915331 210098070 /nfs/dbraw/zinc/09/80/70/210098070.db2.gz LBXIBQQYUBUMMK-LDHQQMMRSA-N 1 0 366.461 3.744 20 30 FHEDRO Cn1cc(C(=O)/C=C/c2ccc(N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000072124802 136142225 /nfs/dbraw/zinc/14/22/25/136142225.db2.gz JPKIGFYTIQXJOX-FMIVXFBMSA-N 1 0 359.473 3.826 20 30 FHEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000097002298 222149452 /nfs/dbraw/zinc/14/94/52/222149452.db2.gz GUJZVFCQTZEZDO-UHFFFAOYSA-N 1 0 360.383 3.684 20 30 FHEDRO C[N@@H+]1CC[C@@H](CN[C@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655849 523962684 /nfs/dbraw/zinc/96/26/84/523962684.db2.gz YVFWMOKKZDMMEX-JBACZVJFSA-N 1 0 364.493 3.524 20 30 FHEDRO C=CCC1(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CCC1 ZINC000188533158 567879267 /nfs/dbraw/zinc/87/92/67/567879267.db2.gz AXNPJPDMVZJBGD-QZTJIDSGSA-N 1 0 356.510 3.658 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000481388640 567881895 /nfs/dbraw/zinc/88/18/95/567881895.db2.gz FUYWHNRHJUTSBX-ZBEGNZNMSA-N 1 0 363.870 3.577 20 30 FHEDRO N#Cc1ccsc1NC(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024663458 567890695 /nfs/dbraw/zinc/89/06/95/567890695.db2.gz NMLTXKBUWCWENI-CQSZACIVSA-N 1 0 366.446 3.579 20 30 FHEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCCC(C)(C)C#N ZINC000186276856 567896906 /nfs/dbraw/zinc/89/69/06/567896906.db2.gz QDRKQNBDACPREY-INIZCTEOSA-N 1 0 363.527 3.549 20 30 FHEDRO CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000014931417 567912493 /nfs/dbraw/zinc/91/24/93/567912493.db2.gz WSCRCSLZSSGFQL-UHFFFAOYSA-N 1 0 367.415 3.822 20 30 FHEDRO COCCCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1 ZINC000128544496 567944158 /nfs/dbraw/zinc/94/41/58/567944158.db2.gz RUUBIGNRGURBMC-UHFFFAOYSA-N 1 0 369.465 3.635 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000481460582 567956136 /nfs/dbraw/zinc/95/61/36/567956136.db2.gz SPBDNOVKXLURQT-VLIAUNLRSA-N 1 0 371.868 3.906 20 30 FHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc2c(c1)CCO2 ZINC000161684334 567959765 /nfs/dbraw/zinc/95/97/65/567959765.db2.gz IZOYHDLHOTZFSR-HXUWFJFHSA-N 1 0 362.477 3.598 20 30 FHEDRO C[C@@H](CCC#N)C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000602479152 567984632 /nfs/dbraw/zinc/98/46/32/567984632.db2.gz XNHJOUIOBHZUHF-SFHVURJKSA-N 1 0 353.510 3.829 20 30 FHEDRO CC[NH+]1CCN(c2ccc(N[C@H](C)CC3(C#N)CCOCC3)c(C)c2)CC1 ZINC000602493896 567986410 /nfs/dbraw/zinc/98/64/10/567986410.db2.gz NBSHVLXNRSFHCI-LJQANCHMSA-N 1 0 370.541 3.648 20 30 FHEDRO Cc1ccccc1CN1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602515937 567986584 /nfs/dbraw/zinc/98/65/84/567986584.db2.gz FBLRQGDRHCRVMK-IBGZPJMESA-N 1 0 355.526 3.648 20 30 FHEDRO CCOc1c(Cl)cc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602517662 567986801 /nfs/dbraw/zinc/98/68/01/567986801.db2.gz IWIMANGTCZISKX-AWEZNQCLSA-N 1 0 366.889 3.936 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000602524192 567987544 /nfs/dbraw/zinc/98/75/44/567987544.db2.gz KUUHYUDKEPFRBW-QZTJIDSGSA-N 1 0 361.555 3.649 20 30 FHEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C1CCC(C#N)CC1 ZINC000602529745 567988248 /nfs/dbraw/zinc/98/82/48/567988248.db2.gz RAWGRVLTIPXQMO-WWDZGPRUSA-N 1 0 354.498 3.676 20 30 FHEDRO CCOc1cc(CCC[NH2+][C@@H](C)CC2(C#N)CCOCC2)ccc1OC ZINC000602556646 567991269 /nfs/dbraw/zinc/99/12/69/567991269.db2.gz KXNITPVQRIDLKT-KRWDZBQOSA-N 1 0 360.498 3.715 20 30 FHEDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602532455 567991870 /nfs/dbraw/zinc/99/18/70/567991870.db2.gz KTIVGQYECPJVNP-CQSZACIVSA-N 1 0 363.889 3.666 20 30 FHEDRO CCc1cc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000481491627 567992606 /nfs/dbraw/zinc/99/26/06/567992606.db2.gz FYLIUCFAPNQVII-UHFFFAOYSA-N 1 0 362.477 3.779 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000602565537 567995585 /nfs/dbraw/zinc/99/55/85/567995585.db2.gz RUSACCIUBMCLOM-SVFBPWRDSA-N 1 0 355.526 3.728 20 30 FHEDRO Cc1cc(Br)cn2cc(CC[NH2+]C3CCC(C#N)CC3)nc12 ZINC000602612306 567997578 /nfs/dbraw/zinc/99/75/78/567997578.db2.gz HRDOIGYAQJEBHW-UHFFFAOYSA-N 1 0 361.287 3.620 20 30 FHEDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)OC(C)C ZINC000602620627 567998553 /nfs/dbraw/zinc/99/85/53/567998553.db2.gz YOPDAZVLNIBZGL-YLJYHZDGSA-N 1 0 360.498 3.850 20 30 FHEDRO C[C@@H]1C[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H](C)N1CC#N ZINC000602853402 568001725 /nfs/dbraw/zinc/00/17/25/568001725.db2.gz IHTITUNGAJQSQU-NHCUHLMSSA-N 1 0 372.516 3.805 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000602644289 568003539 /nfs/dbraw/zinc/00/35/39/568003539.db2.gz LXJBJNBEQFULRU-OAHLLOKOSA-N 1 0 370.415 3.859 20 30 FHEDRO C[C@H](CCC#N)C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000602666492 568013735 /nfs/dbraw/zinc/01/37/35/568013735.db2.gz KCGAJGCNFOFLFV-OAHLLOKOSA-N 1 0 370.415 3.894 20 30 FHEDRO Cc1ccc(Br)c(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602692244 568015459 /nfs/dbraw/zinc/01/54/59/568015459.db2.gz WUDDMECNUPGNCG-CQSZACIVSA-N 1 0 351.288 3.946 20 30 FHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC000481526205 568015818 /nfs/dbraw/zinc/01/58/18/568015818.db2.gz FOBCNJNVTDBSIS-IBGZPJMESA-N 1 0 365.452 3.583 20 30 FHEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c1 ZINC000602714394 568019678 /nfs/dbraw/zinc/01/96/78/568019678.db2.gz INGABAUTPTXJHZ-OAQYLSRUSA-N 1 0 351.450 3.555 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000568384666 568035684 /nfs/dbraw/zinc/03/56/84/568035684.db2.gz VKUKIWFSLOPHMA-SAABIXHNSA-N 1 0 374.893 3.521 20 30 FHEDRO COc1ccc(Br)cc1-c1nc(CN[C@H](C)CC#N)cs1 ZINC000602860642 568049452 /nfs/dbraw/zinc/04/94/52/568049452.db2.gz CSSMCSSMCGYAAN-SNVBAGLBSA-N 1 0 366.284 3.973 20 30 FHEDRO C[NH2+]C(C)(C)c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603179700 568073873 /nfs/dbraw/zinc/07/38/73/568073873.db2.gz MZPTWVOVPUOXEW-UHFFFAOYSA-N 1 0 359.477 3.633 20 30 FHEDRO Cc1cc(C#N)cc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000568597459 568074698 /nfs/dbraw/zinc/07/46/98/568074698.db2.gz DCWSPJJCPCYIOI-NHCUHLMSSA-N 1 0 374.488 3.853 20 30 FHEDRO CC(C)(C#N)c1ccccc1Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000603251185 568078609 /nfs/dbraw/zinc/07/86/09/568078609.db2.gz QJKQCPNDEYQYBL-IBGZPJMESA-N 1 0 365.868 3.829 20 30 FHEDRO COC(=O)c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000481665888 568080916 /nfs/dbraw/zinc/08/09/16/568080916.db2.gz GBEFMHAHOAGXAD-HXUWFJFHSA-N 1 0 364.445 3.911 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCNC(=O)c1cccc(F)c1 ZINC000481672098 568083634 /nfs/dbraw/zinc/08/36/34/568083634.db2.gz QPMOKOKRVXPYAC-NRFANRHFSA-N 1 0 365.452 3.875 20 30 FHEDRO CC[N@H+](CCc1c(C)nc2ccccn2c1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000568643084 568104428 /nfs/dbraw/zinc/10/44/28/568104428.db2.gz BZHSLNRZJJVBAG-KRWDZBQOSA-N 1 0 360.461 3.500 20 30 FHEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[NH+](C2CCCCC2)CC1 ZINC000481819671 568136867 /nfs/dbraw/zinc/13/68/67/568136867.db2.gz ATOVTEUZLWDHET-UHFFFAOYSA-N 1 0 356.420 3.839 20 30 FHEDRO CCC1CCC([N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C2CC2)CC1 ZINC000603856070 568168201 /nfs/dbraw/zinc/16/82/01/568168201.db2.gz BXUISKLJKHNRRG-XTXLOEGASA-N 1 0 356.510 3.926 20 30 FHEDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481898154 568174077 /nfs/dbraw/zinc/17/40/77/568174077.db2.gz AVOQZGPPDPORBU-FGZHOGPDSA-N 1 0 361.489 3.615 20 30 FHEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(CSc3ccccc3)cc2)CC1 ZINC000603884740 568176860 /nfs/dbraw/zinc/17/68/60/568176860.db2.gz MIALXRJXVGHYFR-UHFFFAOYSA-N 1 0 365.502 3.697 20 30 FHEDRO CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481915888 568182430 /nfs/dbraw/zinc/18/24/30/568182430.db2.gz FSNXOTDWAXPJNL-NRFANRHFSA-N 1 0 368.502 3.660 20 30 FHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(F)cc1 ZINC000024897878 568230165 /nfs/dbraw/zinc/23/01/65/568230165.db2.gz ROGMDXLVVQOQNB-UHFFFAOYSA-N 1 0 357.454 3.708 20 30 FHEDRO N#Cc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000568864021 568238619 /nfs/dbraw/zinc/23/86/19/568238619.db2.gz RIUWGAZAHNJJDJ-UHFFFAOYSA-N 1 0 363.465 3.651 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+][C@H]3CC[C@@H](c4cccc(Cl)c4)C3)cnc12 ZINC000568885545 568248096 /nfs/dbraw/zinc/24/80/96/568248096.db2.gz XJVDYQUDGUVUBB-QAPCUYQASA-N 1 0 351.841 3.680 20 30 FHEDRO COc1cccc(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)c1 ZINC000569025076 568275194 /nfs/dbraw/zinc/27/51/94/568275194.db2.gz PILQAYWOSQMNQJ-QGZVFWFLSA-N 1 0 369.490 3.664 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000482140116 568288027 /nfs/dbraw/zinc/28/80/27/568288027.db2.gz QQNNKMGHQOQDKB-RRQGHBQHSA-N 1 0 361.486 3.669 20 30 FHEDRO CC(C)c1ccc(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000604468380 568297489 /nfs/dbraw/zinc/29/74/89/568297489.db2.gz WFPQIJDOFDZBKV-NRFANRHFSA-N 1 0 352.478 3.748 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000604468279 568297508 /nfs/dbraw/zinc/29/75/08/568297508.db2.gz BLVQYMIPZAKTPZ-WQDXOWSBSA-N 1 0 368.521 3.687 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569173769 568299541 /nfs/dbraw/zinc/29/95/41/568299541.db2.gz DIFJUDWHBBTOJN-QUCCMNQESA-N 1 0 373.859 3.894 20 30 FHEDRO N#Cc1ccccc1CSCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482165801 568299678 /nfs/dbraw/zinc/29/96/78/568299678.db2.gz SZKKAPUUZLIEBZ-UHFFFAOYSA-N 1 0 352.503 3.949 20 30 FHEDRO CC(C)[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604501412 568301830 /nfs/dbraw/zinc/30/18/30/568301830.db2.gz KHBRXVHDPWEPON-IBGZPJMESA-N 1 0 356.441 3.542 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000604765093 568361778 /nfs/dbraw/zinc/36/17/78/568361778.db2.gz ADDIWLDCAGJGHW-RBUKOAKNSA-N 1 0 365.395 3.876 20 30 FHEDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000569629524 568411105 /nfs/dbraw/zinc/41/11/05/568411105.db2.gz KTKWRBODSLVFTJ-KRWDZBQOSA-N 1 0 351.288 3.551 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC(=O)N(c3ccc(Cl)c(F)c3)C1)CC2 ZINC000569974624 568445376 /nfs/dbraw/zinc/44/53/76/568445376.db2.gz VBVMTVPXKQQAGE-IFXJQAMLSA-N 1 0 369.827 3.733 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](n4cccn4)C3)c2)c1 ZINC000570375964 568481677 /nfs/dbraw/zinc/48/16/77/568481677.db2.gz OVNNDZDTBKZVEN-OAQYLSRUSA-N 1 0 358.445 3.781 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(CC#N)c1 ZINC000049635375 568550394 /nfs/dbraw/zinc/55/03/94/568550394.db2.gz VYEOANSDPAHPPM-UHFFFAOYSA-N 1 0 351.450 3.726 20 30 FHEDRO C[N@@H+]1CCCC12CCN(c1nc3c(c(C#N)c1C#N)CCCCCC3)CC2 ZINC000408327308 568688759 /nfs/dbraw/zinc/68/87/59/568688759.db2.gz BDMSGWSKRSIYNF-UHFFFAOYSA-N 1 0 363.509 3.549 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828258170 602054864 /nfs/dbraw/zinc/05/48/64/602054864.db2.gz QPKNCGQFWBYSDM-DYESRHJHSA-N 1 0 369.509 3.660 20 30 FHEDRO N#CCC[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826381289 608524964 /nfs/dbraw/zinc/52/49/64/608524964.db2.gz FYBVWKJUPKLJSU-VQTJNVASSA-N 1 0 358.449 3.879 20 30 FHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164419186 718891563 /nfs/dbraw/zinc/89/15/63/718891563.db2.gz QMXQSVMXJXJCJH-OAHLLOKOSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4C[C@]4([NH3+])C3)cnc2Cl)cc1 ZINC001164420574 718897463 /nfs/dbraw/zinc/89/74/63/718897463.db2.gz MIOZNHRZEZBTJV-KDOFPFPSSA-N 1 0 374.822 3.746 20 30 FHEDRO N#Cc1cc(F)c(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623847 719053897 /nfs/dbraw/zinc/05/38/97/719053897.db2.gz NDYMKTUOJZZDFI-YJBOKZPZSA-N 1 0 370.859 3.847 20 30 FHEDRO N#Cc1cnc(Cl)cc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623549 719058955 /nfs/dbraw/zinc/05/89/55/719058955.db2.gz JRZXPYUVZWGJOR-LPHOPBHVSA-N 1 0 352.869 3.707 20 30 FHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)ccc2C#N)CC3)cs1 ZINC001164693985 719805811 /nfs/dbraw/zinc/80/58/11/719805811.db2.gz WOZJBSQPOGJYCJ-UHFFFAOYSA-N 1 0 367.522 3.662 20 30 FHEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725930 720385129 /nfs/dbraw/zinc/38/51/29/720385129.db2.gz OGLHBCGCGNGSPZ-CVEARBPZSA-N 1 0 374.275 3.508 20 30 FHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc3ccc(C#N)cc31)[C@H]2C ZINC001164857958 720951935 /nfs/dbraw/zinc/95/19/35/720951935.db2.gz IMDUVKYAZSYVSU-INIZCTEOSA-N 1 0 374.492 3.724 20 30 FHEDRO Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncc1C#N ZINC001164792570 721493919 /nfs/dbraw/zinc/49/39/19/721493919.db2.gz QZPHASIIFSETQX-UHFFFAOYSA-N 1 0 361.493 3.538 20 30 FHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165045897 721966349 /nfs/dbraw/zinc/96/63/49/721966349.db2.gz CZNNXCMLDKZMTR-AWEZNQCLSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049677 721968316 /nfs/dbraw/zinc/96/83/16/721968316.db2.gz UJKYAXMPAOOAHZ-AWEZNQCLSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049402 721971001 /nfs/dbraw/zinc/97/10/01/721971001.db2.gz RZIIRHAQUZUDNR-OAHLLOKOSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1cnc(Cl)cc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994700 722192833 /nfs/dbraw/zinc/19/28/33/722192833.db2.gz PFUAGZFZPMZGLZ-HXUWFJFHSA-N 1 0 370.859 3.991 20 30 FHEDRO Cc1ccnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164994227 722193895 /nfs/dbraw/zinc/19/38/95/722193895.db2.gz LVJNFWWHOKBLIT-OAQYLSRUSA-N 1 0 350.441 3.646 20 30 FHEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000582965016 936326246 /nfs/dbraw/zinc/32/62/46/936326246.db2.gz VUDSCRRLXIHLHD-CYBMUJFWSA-N 1 0 351.841 3.980 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2sccc2C#N)cc1 ZINC000052035257 936342031 /nfs/dbraw/zinc/34/20/31/936342031.db2.gz GYYNJAZTIKYBJA-OAHLLOKOSA-N 1 0 353.491 3.924 20 30 FHEDRO C#Cc1cccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000728536763 936365750 /nfs/dbraw/zinc/36/57/50/936365750.db2.gz AZJNYODLYRUIEE-LJQANCHMSA-N 1 0 350.437 3.682 20 30 FHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000458372128 937087030 /nfs/dbraw/zinc/08/70/30/937087030.db2.gz MJWHZODMWDOJGN-OAHLLOKOSA-N 1 0 368.456 3.626 20 30 FHEDRO C[NH+](C)Cc1cccc(NC(=O)NCCSCc2ccccc2C#N)c1 ZINC000044277569 937152251 /nfs/dbraw/zinc/15/22/51/937152251.db2.gz ZAYPZSYOLBKYAE-UHFFFAOYSA-N 1 0 368.506 3.675 20 30 FHEDRO COc1ccc(OC)c(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000583136864 937158343 /nfs/dbraw/zinc/15/83/43/937158343.db2.gz WUSFIRUDVFQCBG-UHFFFAOYSA-N 1 0 350.340 3.884 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000558493228 927533696 /nfs/dbraw/zinc/53/36/96/927533696.db2.gz YPZQYGYVUUIFNU-JOCHJYFZSA-N 1 0 350.462 3.778 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c2ccccc12 ZINC000430181310 927598585 /nfs/dbraw/zinc/59/85/85/927598585.db2.gz VJKPZEHZHGFORJ-GOSISDBHSA-N 1 0 359.429 3.768 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC1(CC#N)CC1 ZINC000430186361 927654868 /nfs/dbraw/zinc/65/48/68/927654868.db2.gz LGFAJRXYLCMBKA-KRWDZBQOSA-N 1 0 354.498 3.554 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@]2(C)CCOC2)cc1OCC ZINC000120212160 927694604 /nfs/dbraw/zinc/69/46/04/927694604.db2.gz ZBZGGBSTQQDQMC-KRWDZBQOSA-N 1 0 370.287 3.681 20 30 FHEDRO OC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000543839208 927875621 /nfs/dbraw/zinc/87/56/21/927875621.db2.gz KJHGMVRVQAXFAH-KRWDZBQOSA-N 1 0 364.670 3.777 20 30 FHEDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000175320695 927989252 /nfs/dbraw/zinc/98/92/52/927989252.db2.gz PLVXLVXNHVIKPM-GOSISDBHSA-N 1 0 361.489 3.956 20 30 FHEDRO N#CCCn1cc(C[NH2+]CCCc2cccs2)c(-c2ccncc2)n1 ZINC000583181595 937211101 /nfs/dbraw/zinc/21/11/01/937211101.db2.gz MQGYGSFDZVOHHF-UHFFFAOYSA-N 1 0 351.479 3.643 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc2ccccc21 ZINC000023676648 928037985 /nfs/dbraw/zinc/03/79/85/928037985.db2.gz RIKRLKCGGNCEKQ-YLJYHZDGSA-N 1 0 360.457 3.996 20 30 FHEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000510090159 928095944 /nfs/dbraw/zinc/09/59/44/928095944.db2.gz XQPUMTGSFIAMDD-HSZRJFAPSA-N 1 0 361.489 3.618 20 30 FHEDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)c1C ZINC000610215101 928148556 /nfs/dbraw/zinc/14/85/56/928148556.db2.gz SEUBAYAQBGPFLS-SIKLNZKXSA-N 1 0 350.462 3.752 20 30 FHEDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c1C ZINC000610216537 928214018 /nfs/dbraw/zinc/21/40/18/928214018.db2.gz NIWGSBFAUKMGOU-NFBKMPQASA-N 1 0 364.489 3.946 20 30 FHEDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c1C ZINC000610216540 928214056 /nfs/dbraw/zinc/21/40/56/928214056.db2.gz NIWGSBFAUKMGOU-REWPJTCUSA-N 1 0 364.489 3.946 20 30 FHEDRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)s1 ZINC000610216510 928214621 /nfs/dbraw/zinc/21/46/21/928214621.db2.gz KXXWKSHOBJSRAL-DOTOQJQBSA-N 1 0 373.522 3.513 20 30 FHEDRO N#Cc1cc(C(F)(F)N2CC3(CC[NH2+]CC3)c3ccccc32)cnc1Cl ZINC001167071341 928228416 /nfs/dbraw/zinc/22/84/16/928228416.db2.gz YVRCJASKWDQXCL-UHFFFAOYSA-N 1 0 374.822 3.797 20 30 FHEDRO C/C(=C/c1ccc(F)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000254925092 928232814 /nfs/dbraw/zinc/23/28/14/928232814.db2.gz GLKTWJZGMPPMIQ-VKAVYKQESA-N 1 0 365.452 3.691 20 30 FHEDRO N#Cc1ccc(CN2CCC[N@@H+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000022850288 928398517 /nfs/dbraw/zinc/39/85/17/928398517.db2.gz WZYQNJYDIFLAGX-UHFFFAOYSA-N 1 0 369.896 3.798 20 30 FHEDRO CC[NH+]1CCN(c2ccc(N=Cc3cc(OC)ccc3O)c(C)c2)CC1 ZINC000254970158 928596607 /nfs/dbraw/zinc/59/66/07/928596607.db2.gz QJXCTECXBWCPJX-UHFFFAOYSA-N 1 0 353.466 3.602 20 30 FHEDRO COc1cc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1C#N ZINC000583234469 937264601 /nfs/dbraw/zinc/26/46/01/937264601.db2.gz RJUPPBXTSSSLRU-KOUNCHBCSA-N 1 0 361.489 3.852 20 30 FHEDRO Cc1coc(-c2cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc2C)n1 ZINC000154361109 928785802 /nfs/dbraw/zinc/78/58/02/928785802.db2.gz DVROPMHZJUWGAE-UHFFFAOYSA-N 1 0 369.469 3.658 20 30 FHEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000278157135 937278111 /nfs/dbraw/zinc/27/81/11/937278111.db2.gz AZCPBTCYPGLMMN-MGPUTAFESA-N 1 0 371.506 3.610 20 30 FHEDRO C[C@H](OC1CCCCCC1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000471198623 928909991 /nfs/dbraw/zinc/90/99/91/928909991.db2.gz GOFXSFQKUAEZFZ-SFHVURJKSA-N 1 0 371.525 3.576 20 30 FHEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000179787938 929024381 /nfs/dbraw/zinc/02/43/81/929024381.db2.gz ITMZJBJYZUDBLY-SFHVURJKSA-N 1 0 356.510 3.722 20 30 FHEDRO N#Cc1nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c(Cl)cc1Cl ZINC001167089470 929031848 /nfs/dbraw/zinc/03/18/48/929031848.db2.gz VJKBHZXZVUZTGD-UHFFFAOYSA-N 1 0 361.207 3.989 20 30 FHEDRO C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC000610239023 929138361 /nfs/dbraw/zinc/13/83/61/929138361.db2.gz SIJGPYBWDNWSKE-CQSZACIVSA-N 1 0 355.404 3.503 20 30 FHEDRO C=CCc1cc(C[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)cc(OC)c1O ZINC000657747742 937311736 /nfs/dbraw/zinc/31/17/36/937311736.db2.gz RRMIBSMYHFBMNI-SFTDATJTSA-N 1 0 355.478 3.977 20 30 FHEDRO COc1cc(C[N@H+](C)[C@@H]2CCCOC2)ccc1OCc1cccc(C#N)c1 ZINC000510161437 929527737 /nfs/dbraw/zinc/52/77/37/929527737.db2.gz WQLDXDBAYDJZEP-HXUWFJFHSA-N 1 0 366.461 3.757 20 30 FHEDRO C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187212577 929555649 /nfs/dbraw/zinc/55/56/49/929555649.db2.gz ZFTJKUHRBCSWFH-IIBYNOLFSA-N 1 0 367.518 3.599 20 30 FHEDRO COc1ccc(CN(Cc2ccccc2OC)C[C@H]2CCCO2)cc1C#N ZINC000134985355 929771313 /nfs/dbraw/zinc/77/13/13/929771313.db2.gz SVXUVNJCMZEYJM-HXUWFJFHSA-N 1 0 366.461 3.757 20 30 FHEDRO C/C(=C/C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1cccc(F)c1 ZINC000255145771 929980281 /nfs/dbraw/zinc/98/02/81/929980281.db2.gz VDESQZIIPLEDMH-ATVHPVEESA-N 1 0 365.452 3.691 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610346002 930046882 /nfs/dbraw/zinc/04/68/82/930046882.db2.gz HDOJYDCRWINMQL-HOTGVXAUSA-N 1 0 364.449 3.563 20 30 FHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610347422 930053539 /nfs/dbraw/zinc/05/35/39/930053539.db2.gz MBRWECLCOQJEQN-QGZVFWFLSA-N 1 0 364.493 3.960 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348819 930062011 /nfs/dbraw/zinc/06/20/11/930062011.db2.gz LETAOXLHCYJTCI-UWJYYQICSA-N 1 0 362.477 3.583 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000610352650 930096805 /nfs/dbraw/zinc/09/68/05/930096805.db2.gz HYZFHCQDCONZDH-APWZRJJASA-N 1 0 366.465 3.657 20 30 FHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610356613 930109309 /nfs/dbraw/zinc/10/93/09/930109309.db2.gz WHOSUZQWTAJSPB-KRWDZBQOSA-N 1 0 364.493 3.913 20 30 FHEDRO CN(Cc1cc2ccccc2o1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083216981 930176430 /nfs/dbraw/zinc/17/64/30/930176430.db2.gz KDUFUXZEFWLTAF-INIZCTEOSA-N 1 0 351.431 3.603 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)CC2)cc1 ZINC000780507756 937399417 /nfs/dbraw/zinc/39/94/17/937399417.db2.gz DUBJXFDDVKUFOU-UHFFFAOYSA-N 1 0 365.521 3.751 20 30 FHEDRO COC(=O)c1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cn1C ZINC000583385619 937395632 /nfs/dbraw/zinc/39/56/32/937395632.db2.gz OBRMZEPPWHFFLS-UHFFFAOYSA-N 1 0 359.429 3.640 20 30 FHEDRO Cn1cc(C[NH2+]C[C@H]2CC23CCSCC3)c(-c2ccc(C#N)cc2)n1 ZINC000579460823 930246411 /nfs/dbraw/zinc/24/64/11/930246411.db2.gz PKNZYSNHSNJAJN-GOSISDBHSA-N 1 0 352.507 3.582 20 30 FHEDRO CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC000610400640 930369502 /nfs/dbraw/zinc/36/95/02/930369502.db2.gz BZYZPGNAPAOGKW-XLIONFOSSA-N 1 0 356.514 3.819 20 30 FHEDRO C=C(C)c1cccc(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000934888210 937410782 /nfs/dbraw/zinc/41/07/82/937410782.db2.gz XNRHDZLWBZQDBI-UHFFFAOYSA-N 1 0 357.498 3.732 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000050090057 930424559 /nfs/dbraw/zinc/42/45/59/930424559.db2.gz QEWFTNNXVABCTQ-UHFFFAOYSA-N 1 0 370.497 3.687 20 30 FHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610422492 930497226 /nfs/dbraw/zinc/49/72/26/930497226.db2.gz KRMFPGZYVCMIFO-HUUCEWRRSA-N 1 0 350.422 3.557 20 30 FHEDRO C[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000074918363 930598708 /nfs/dbraw/zinc/59/87/08/930598708.db2.gz WTENKBSRGGXPAU-DYESRHJHSA-N 1 0 362.477 3.535 20 30 FHEDRO COc1ccccc1[C@@H](CNc1nc2cc(Cl)ccn2c1C#N)[NH+](C)C ZINC000561104798 930656848 /nfs/dbraw/zinc/65/68/48/930656848.db2.gz AUPZEWSHYDKJSR-MRXNPFEDSA-N 1 0 369.856 3.583 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000580423156 930669087 /nfs/dbraw/zinc/66/90/87/930669087.db2.gz HFRXTPOGCVIYEH-WIYYLYMNSA-N 1 0 370.880 3.756 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nnc(-c4ccc(F)cc4)n3C1)CC2 ZINC000580488148 930745153 /nfs/dbraw/zinc/74/51/53/930745153.db2.gz AKVQSGFQIOTGAY-QUCCMNQESA-N 1 0 373.435 3.548 20 30 FHEDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1ccccc1C#N ZINC000119245212 930951929 /nfs/dbraw/zinc/95/19/29/930951929.db2.gz GQEKZHVKTMKSQA-UHFFFAOYSA-N 1 0 360.255 3.663 20 30 FHEDRO COc1ccccc1CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160608186 931034425 /nfs/dbraw/zinc/03/44/25/931034425.db2.gz KEFCMTSUPUSKLJ-UHFFFAOYSA-N 1 0 353.344 3.563 20 30 FHEDRO COc1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1C#N ZINC000135067974 931163317 /nfs/dbraw/zinc/16/33/17/931163317.db2.gz ARHFWXHAWMYIBO-UHFFFAOYSA-N 1 0 350.462 3.996 20 30 FHEDRO CC(C)OCC[NH+]1CCC(Nc2ccc(C#N)cc2Br)CC1 ZINC000123929877 931187187 /nfs/dbraw/zinc/18/71/87/931187187.db2.gz PTCZHHBCGGRTHC-UHFFFAOYSA-N 1 0 366.303 3.622 20 30 FHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000471620633 931209402 /nfs/dbraw/zinc/20/94/02/931209402.db2.gz QQBIXCVEXOPXDN-KRWDZBQOSA-N 1 0 350.528 3.868 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCCC2)c(C#N)c1C ZINC000119328800 931217393 /nfs/dbraw/zinc/21/73/93/931217393.db2.gz HXFLTSQPLVPEPB-UHFFFAOYSA-N 1 0 355.413 3.905 20 30 FHEDRO C[C@@H]1OCC[C@]1(O)C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000684108576 931336009 /nfs/dbraw/zinc/33/60/09/931336009.db2.gz GOIGWTFZJGWZLE-AVRDEDQJSA-N 1 0 369.892 3.734 20 30 FHEDRO [NH2+]=C(NCCCNc1ccccc1)Nc1ccccc1OC(F)(F)F ZINC000160699011 931368702 /nfs/dbraw/zinc/36/87/02/931368702.db2.gz ODXJIRAYPRKOPN-UHFFFAOYSA-N 1 0 352.360 3.814 20 30 FHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccco1 ZINC000581032646 931478304 /nfs/dbraw/zinc/47/83/04/931478304.db2.gz ZLOWJJZGSBDCME-RDTXWAMCSA-N 1 0 369.440 3.568 20 30 FHEDRO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000610476076 931543218 /nfs/dbraw/zinc/54/32/18/931543218.db2.gz ZEYHPQATZFFAIZ-INIZCTEOSA-N 1 0 354.498 3.716 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610478400 931555032 /nfs/dbraw/zinc/55/50/32/931555032.db2.gz VQMWXAUKRAGKNT-UHFFFAOYSA-N 1 0 360.421 3.581 20 30 FHEDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000610476896 931556726 /nfs/dbraw/zinc/55/67/26/931556726.db2.gz RIQLSHZQUMXVLU-CNDZOEFASA-N 1 0 368.452 3.715 20 30 FHEDRO N#Cc1nnc2ccccc2c1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000077213410 931578982 /nfs/dbraw/zinc/57/89/82/931578982.db2.gz AZEJPMLDWDCSQX-SFHVURJKSA-N 1 0 357.461 3.826 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)CC2 ZINC000581221783 931699504 /nfs/dbraw/zinc/69/95/04/931699504.db2.gz ZRFMMWVQANZPBE-QGZVFWFLSA-N 1 0 370.250 3.536 20 30 FHEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000156074504 931723100 /nfs/dbraw/zinc/72/31/00/931723100.db2.gz VUFYGDIRMQLXEW-UXHICEINSA-N 1 0 374.444 3.869 20 30 FHEDRO N#Cc1c2c(sc1NC(=O)CSCC1CC[NH2+]CC1)CCCCC2 ZINC000581248992 931738218 /nfs/dbraw/zinc/73/82/18/931738218.db2.gz MHEPQZRHICRXBL-UHFFFAOYSA-N 1 0 363.552 3.560 20 30 FHEDRO CCC[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000581305529 931808539 /nfs/dbraw/zinc/80/85/39/931808539.db2.gz MHIMWGLGMLUTHL-PBHICJAKSA-N 1 0 358.313 3.631 20 30 FHEDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000581337616 931854295 /nfs/dbraw/zinc/85/42/95/931854295.db2.gz RHSYSCMXCWSPJO-HXUWFJFHSA-N 1 0 372.472 3.860 20 30 FHEDRO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC000135111353 931935206 /nfs/dbraw/zinc/93/52/06/931935206.db2.gz SDMAYSWPXBAQKK-UHFFFAOYSA-N 1 0 364.493 3.700 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000121365892 932053247 /nfs/dbraw/zinc/05/32/47/932053247.db2.gz YZPFTEUYIVSSSX-UHFFFAOYSA-N 1 0 366.461 3.808 20 30 FHEDRO Cc1csc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C#N ZINC000581437758 932073969 /nfs/dbraw/zinc/07/39/69/932073969.db2.gz VVCZYPBNDSWIOU-UHFFFAOYSA-N 1 0 354.479 3.846 20 30 FHEDRO Cn1cc(C#N)cc1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000471664618 932135403 /nfs/dbraw/zinc/13/54/03/932135403.db2.gz NOKYNIGUIRMUFG-UHFFFAOYSA-N 1 0 364.493 3.591 20 30 FHEDRO Oc1ccc2ccccc2c1/C=N\Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000588419691 932347125 /nfs/dbraw/zinc/34/71/25/932347125.db2.gz LWFQOYCZOMYXOO-CFKHXJFWSA-N 1 0 360.457 3.731 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133641 932362499 /nfs/dbraw/zinc/36/24/99/932362499.db2.gz MHISSABTTLGMJM-UGGKCQTMSA-N 1 0 371.525 3.529 20 30 FHEDRO COc1ccc([C@H](CNc2snc(Cl)c2C#N)[NH+]2CCCC2)cc1 ZINC000051227311 932686723 /nfs/dbraw/zinc/68/67/23/932686723.db2.gz NYRCCLOPPZDJKS-HNNXBMFYSA-N 1 0 362.886 3.926 20 30 FHEDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1ccc(C#N)c(Cl)n1 ZINC000891564636 932765656 /nfs/dbraw/zinc/76/56/56/932765656.db2.gz BITIQSGVIKJORK-HNNXBMFYSA-N 1 0 370.884 3.820 20 30 FHEDRO C=CCSCC[NH2+]Cc1c(Br)cncc1Br ZINC000309561425 933025567 /nfs/dbraw/zinc/02/55/67/933025567.db2.gz OVNYZWPOVPNARN-UHFFFAOYSA-N 1 0 366.122 3.615 20 30 FHEDRO N#CCC[C@H](NC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2)c1ccccc1 ZINC000891703990 933037489 /nfs/dbraw/zinc/03/74/89/933037489.db2.gz MWLUGJOQIVKMAL-RBUKOAKNSA-N 1 0 354.498 3.643 20 30 FHEDRO COc1ccc([C@H](C)[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000581924091 933040228 /nfs/dbraw/zinc/04/02/28/933040228.db2.gz YINWEINNBREWOA-HRAATJIYSA-N 1 0 363.461 3.755 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000548358304 933083481 /nfs/dbraw/zinc/08/34/81/933083481.db2.gz UPCWAUKCZAAWDD-UTKZUKDTSA-N 1 0 359.473 3.542 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000548358301 933083856 /nfs/dbraw/zinc/08/38/56/933083856.db2.gz UPCWAUKCZAAWDD-DYESRHJHSA-N 1 0 359.473 3.542 20 30 FHEDRO N#CCC1(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000430698224 933087925 /nfs/dbraw/zinc/08/79/25/933087925.db2.gz YQLNDRQKRFIKCK-UHFFFAOYSA-N 1 0 354.498 3.556 20 30 FHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c(F)cc(C#N)cc1F)[NH+](C)C ZINC000510551245 933216757 /nfs/dbraw/zinc/21/67/57/933216757.db2.gz ORQGMUMHXVNOJA-DJJJIMSYSA-N 1 0 357.404 3.566 20 30 FHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000510552880 933219129 /nfs/dbraw/zinc/21/91/29/933219129.db2.gz QNUMNDXMGHCWLL-UTKZUKDTSA-N 1 0 361.489 3.706 20 30 FHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000510552878 933219355 /nfs/dbraw/zinc/21/93/55/933219355.db2.gz QNUMNDXMGHCWLL-DYESRHJHSA-N 1 0 361.489 3.706 20 30 FHEDRO COC(=O)c1ccc(COc2ccccc2C[NH2+]CC2(CC#N)CC2)cc1 ZINC000430771446 933224544 /nfs/dbraw/zinc/22/45/44/933224544.db2.gz DIFNWZUIZWEOMS-UHFFFAOYSA-N 1 0 364.445 3.836 20 30 FHEDRO CCN(CCC#N)C(=O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000088522771 933316316 /nfs/dbraw/zinc/31/63/16/933316316.db2.gz KPICLAMJXXACLR-UHFFFAOYSA-N 1 0 356.514 3.625 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(C(C)(C)C)c2-c2ccccc2)CC1 ZINC000276814093 933560431 /nfs/dbraw/zinc/56/04/31/933560431.db2.gz ABRMBUFLJFZQSY-UHFFFAOYSA-N 1 0 366.509 3.685 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000091687598 933567462 /nfs/dbraw/zinc/56/74/62/933567462.db2.gz GDRKSTGFSTUPKB-UHFFFAOYSA-N 1 0 365.477 3.806 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000510739999 933626732 /nfs/dbraw/zinc/62/67/32/933626732.db2.gz XROWTQCCJOVPTA-UHFFFAOYSA-N 1 0 358.486 3.733 20 30 FHEDRO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000091792295 933643715 /nfs/dbraw/zinc/64/37/15/933643715.db2.gz QAYDOTKLTPLZPC-UHFFFAOYSA-N 1 0 371.488 3.765 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000510785613 933727034 /nfs/dbraw/zinc/72/70/34/933727034.db2.gz WAGWJLKHSCROSN-GOSISDBHSA-N 1 0 353.510 3.771 20 30 FHEDRO N#Cc1ccc(CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C2CC2)cc1 ZINC000176030188 933772145 /nfs/dbraw/zinc/77/21/45/933772145.db2.gz AGLDPUPKHPRTCD-UHFFFAOYSA-N 1 0 366.509 3.639 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)c2cc3ccccc3n2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000610714390 933891582 /nfs/dbraw/zinc/89/15/82/933891582.db2.gz MQKONVMEDUZDEO-PXNSSMCTSA-N 1 0 372.472 3.558 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000561764167 934105548 /nfs/dbraw/zinc/10/55/48/934105548.db2.gz GNJSOYXTAFGOQH-PMUMKWKESA-N 1 0 367.518 3.884 20 30 FHEDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000187664860 934132859 /nfs/dbraw/zinc/13/28/59/934132859.db2.gz CFHBAGPELWGKIH-GOSISDBHSA-N 1 0 361.489 3.956 20 30 FHEDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000610771314 934146850 /nfs/dbraw/zinc/14/68/50/934146850.db2.gz PTLPJFITGUAVCJ-REWPJTCUSA-N 1 0 364.489 3.946 20 30 FHEDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000092754734 934165946 /nfs/dbraw/zinc/16/59/46/934165946.db2.gz QPFSMTZBVXMPJF-SFHVURJKSA-N 1 0 371.525 3.742 20 30 FHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000510972204 934231478 /nfs/dbraw/zinc/23/14/78/934231478.db2.gz XTLIKLVROKJJEG-IXDOHACOSA-N 1 0 356.514 3.976 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176142076 934310991 /nfs/dbraw/zinc/31/09/91/934310991.db2.gz UVXDEBSSSXKKBQ-KRWDZBQOSA-N 1 0 355.482 3.939 20 30 FHEDRO CCC[NH+]1CCC(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458122420 934317635 /nfs/dbraw/zinc/31/76/35/934317635.db2.gz CKKXDIONUZPMQR-FQEVSTJZSA-N 1 0 356.514 3.843 20 30 FHEDRO C[C@H](O)C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000535798249 934392367 /nfs/dbraw/zinc/39/23/67/934392367.db2.gz NTYOYTRZOPENCX-IBGZPJMESA-N 1 0 374.488 3.847 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(-c2ccccc2)n1 ZINC000535809012 934416471 /nfs/dbraw/zinc/41/64/71/934416471.db2.gz BNROSDPBSGIVEJ-WOJBJXKFSA-N 1 0 364.493 3.712 20 30 FHEDRO C=C(C)COCC[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000180946401 934422104 /nfs/dbraw/zinc/42/21/04/934422104.db2.gz OWVIBCCWDCKTRF-OAQYLSRUSA-N 1 0 373.518 3.670 20 30 FHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C3CCN(CC#N)CC3)s2)cc1 ZINC000610813966 934504770 /nfs/dbraw/zinc/50/47/70/934504770.db2.gz XDSGTBXLWPVOIX-AWEZNQCLSA-N 1 0 370.522 3.766 20 30 FHEDRO C=CCOc1ccc(CC(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)cc1 ZINC000458265714 934562137 /nfs/dbraw/zinc/56/21/37/934562137.db2.gz BGAGKZCLYXJCLG-UHFFFAOYSA-N 1 0 372.440 3.512 20 30 FHEDRO Cc1cc(C)cc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000610919572 934625255 /nfs/dbraw/zinc/62/52/55/934625255.db2.gz OVXLREYXXKLOKF-UHFFFAOYSA-N 1 0 363.505 3.698 20 30 FHEDRO C[NH+](C)[C@@H](C/N=C\c1ccc(O)c(O)c1O)c1cccc(C(F)(F)F)c1 ZINC000588480341 934641105 /nfs/dbraw/zinc/64/11/05/934641105.db2.gz LTDOMIGXMKRXMC-ZOTMMLKWSA-N 1 0 368.355 3.544 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(C(C)(C)c3ccccc3)CC2)CC1 ZINC000458318289 934678142 /nfs/dbraw/zinc/67/81/42/934678142.db2.gz JBBFUAYQGVZGOA-UHFFFAOYSA-N 1 0 355.526 3.837 20 30 FHEDRO N#Cc1cc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccn1 ZINC000610992045 934727136 /nfs/dbraw/zinc/72/71/36/934727136.db2.gz RPKBBIIROGXGCO-UHFFFAOYSA-N 1 0 374.410 3.680 20 30 FHEDRO CC[N@H+](CCOc1ccc(Br)cc1)Cc1ccnc(C#N)c1 ZINC000610993851 934729210 /nfs/dbraw/zinc/72/92/10/934729210.db2.gz KPDOTDVNBUBCLS-UHFFFAOYSA-N 1 0 360.255 3.617 20 30 FHEDRO C[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000176288072 934742625 /nfs/dbraw/zinc/74/26/25/934742625.db2.gz YMXWGXSLQXTOGX-QRWLVFNGSA-N 1 0 372.465 3.554 20 30 FHEDRO C[C@H](Nc1cc(C#N)c2ccccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380467976 934804008 /nfs/dbraw/zinc/80/40/08/934804008.db2.gz QLFSHINAMRQCPC-HKUYNNGSSA-N 1 0 356.473 3.851 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(C#N)c(F)c1 ZINC000538509111 934859478 /nfs/dbraw/zinc/85/94/78/934859478.db2.gz ZJQIGWWRELKAMK-DOMZBBRYSA-N 1 0 357.816 3.807 20 30 FHEDRO COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000380694565 934874489 /nfs/dbraw/zinc/87/44/89/934874489.db2.gz MNHWOZMUEFUUKX-OAQYLSRUSA-N 1 0 363.505 3.959 20 30 FHEDRO C#CCCCCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000119619933 934928407 /nfs/dbraw/zinc/92/84/07/934928407.db2.gz OKIVWXFQOXTDGV-UHFFFAOYSA-N 1 0 355.482 3.633 20 30 FHEDRO COc1ccc(CNc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cc1C#N ZINC000156983192 934989749 /nfs/dbraw/zinc/98/97/49/934989749.db2.gz DLGGRTFZUKVQNA-UHFFFAOYSA-N 1 0 364.493 3.709 20 30 FHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCCCOc2ccc(C)cc2)c1 ZINC000104170196 935004431 /nfs/dbraw/zinc/00/44/31/935004431.db2.gz CZONFPFYIUXICX-UHFFFAOYSA-N 1 0 357.454 3.598 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000468804043 945073114 /nfs/dbraw/zinc/07/31/14/945073114.db2.gz CUOYVHJUIHNJMD-UHFFFAOYSA-N 1 0 369.431 3.834 20 30 FHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C#N)cc2)CC1)CC(C)C ZINC000539168380 935055152 /nfs/dbraw/zinc/05/51/52/935055152.db2.gz RCBJWCLWWKFQIT-UHFFFAOYSA-N 1 0 370.541 3.848 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2cccs2)c(OC)c1 ZINC000053429807 935064787 /nfs/dbraw/zinc/06/47/87/935064787.db2.gz MZEUDGOGPNTZEF-WBVHZDCISA-N 1 0 361.507 3.918 20 30 FHEDRO C#CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000366752604 945087830 /nfs/dbraw/zinc/08/78/30/945087830.db2.gz AXJABLOZBREAPO-BJLQDIEVSA-N 1 0 367.518 3.805 20 30 FHEDRO C=CCN1CC[C@H]([N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)C1=O ZINC000511075563 935279394 /nfs/dbraw/zinc/27/93/94/935279394.db2.gz ROHQCFPUBRSPPC-KRWDZBQOSA-N 1 0 352.400 3.704 20 30 FHEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551546923 935305474 /nfs/dbraw/zinc/30/54/74/935305474.db2.gz AYVBTPHUXQUYHU-CYBMUJFWSA-N 1 0 369.266 3.689 20 30 FHEDRO Cc1nc(COc2ccc(C[NH2+]C3(c4cccc(C#N)c4)CC3)cc2)no1 ZINC000551576256 935313227 /nfs/dbraw/zinc/31/32/27/935313227.db2.gz IAGCUZGBRAMXNM-UHFFFAOYSA-N 1 0 360.417 3.608 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(CCC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000516647580 945094012 /nfs/dbraw/zinc/09/40/12/945094012.db2.gz WDFXEIGTKCIMMU-NQIIRXRSSA-N 1 0 368.525 3.765 20 30 FHEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000091173477 935452371 /nfs/dbraw/zinc/45/23/71/935452371.db2.gz UDRFHOBADXOEJS-UHFFFAOYSA-N 1 0 364.449 3.910 20 30 FHEDRO C=CCN(Cc1ccccc1F)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000065540668 935551841 /nfs/dbraw/zinc/55/18/41/935551841.db2.gz BEAHVWPWCCYXCA-UHFFFAOYSA-N 1 0 355.457 3.655 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000178566231 935580207 /nfs/dbraw/zinc/58/02/07/935580207.db2.gz VQWRNSPHMZOQRR-SFHVURJKSA-N 1 0 354.498 3.843 20 30 FHEDRO C[NH+](C)CCCCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000582376257 935587159 /nfs/dbraw/zinc/58/71/59/935587159.db2.gz IHVDWOYBUZFYPE-UHFFFAOYSA-N 1 0 369.440 3.947 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC=C(c3ccco3)C2)c(OC)c1 ZINC000511108832 935606507 /nfs/dbraw/zinc/60/65/07/935606507.db2.gz QPMSCLXIYOQYOP-LJQANCHMSA-N 1 0 369.461 3.546 20 30 FHEDRO Cn1cc(C[NH2+]CCOc2ccccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000478328166 935610551 /nfs/dbraw/zinc/61/05/51/935610551.db2.gz OVYJFVVSFGHRPT-UHFFFAOYSA-N 1 0 366.852 3.781 20 30 FHEDRO COc1ccc([C@H](C/N=C\c2cccc(OC)c2O)[NH+]2CCCC2)cc1 ZINC000255507694 935646217 /nfs/dbraw/zinc/64/62/17/935646217.db2.gz BKUNBEOFGRTATG-MAGMUUGSSA-N 1 0 354.450 3.665 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000178587399 935766698 /nfs/dbraw/zinc/76/66/98/935766698.db2.gz YSWQCDVADQQYRS-IBGZPJMESA-N 1 0 362.477 3.853 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000097036587 935770592 /nfs/dbraw/zinc/77/05/92/935770592.db2.gz AIFOJBUPZNBCPQ-IBGZPJMESA-N 1 0 352.413 3.656 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1cccs1 ZINC000158963801 935776410 /nfs/dbraw/zinc/77/64/10/935776410.db2.gz MXSNQVSNCKJOBW-DLBZAZTESA-N 1 0 356.495 3.695 20 30 FHEDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(OC[C@H]2CCCO2)c1 ZINC000329067320 935786683 /nfs/dbraw/zinc/78/66/83/935786683.db2.gz LXBYOMUZMNIDKN-ZHALLVOQSA-N 1 0 373.497 3.506 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000472232585 935845005 /nfs/dbraw/zinc/84/50/05/935845005.db2.gz NAAXKRFABRHLIL-ROUUACIJSA-N 1 0 366.509 3.542 20 30 FHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1C#N ZINC000479801191 935894906 /nfs/dbraw/zinc/89/49/06/935894906.db2.gz HEESSJYEXTVQAT-CQSZACIVSA-N 1 0 372.538 3.547 20 30 FHEDRO Cc1csc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1Cl ZINC000479910859 935917061 /nfs/dbraw/zinc/91/70/61/935917061.db2.gz GESYYTVYRPCBMZ-UHFFFAOYSA-N 1 0 361.898 3.786 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2COC(C)(C)C2)cc1OC ZINC000657530711 935964434 /nfs/dbraw/zinc/96/44/34/935964434.db2.gz RNGPEOQYMGDPFF-CYBMUJFWSA-N 1 0 370.287 3.680 20 30 FHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000472248514 935983176 /nfs/dbraw/zinc/98/31/76/935983176.db2.gz XAJWCZMOFJJROT-OAHLLOKOSA-N 1 0 361.452 3.829 20 30 FHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(CNC(C)=O)cc2)cc1Cl ZINC000657541473 935990124 /nfs/dbraw/zinc/99/01/24/935990124.db2.gz PIUKQVIGTBBIDJ-UHFFFAOYSA-N 1 0 358.869 3.831 20 30 FHEDRO C=CCOc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1OC ZINC000076222824 936027939 /nfs/dbraw/zinc/02/79/39/936027939.db2.gz SDWHETAREHYZEL-UHFFFAOYSA-N 1 0 354.450 3.616 20 30 FHEDRO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000077715749 936053603 /nfs/dbraw/zinc/05/36/03/936053603.db2.gz RUUSHUOQZJJCRM-KRWDZBQOSA-N 1 0 362.477 3.714 20 30 FHEDRO C[C@@H]1CCC[C@](CNC(=O)N[C@H](CCC#N)c2ccccc2)([NH+](C)C)C1 ZINC000438855927 945143245 /nfs/dbraw/zinc/14/32/45/945143245.db2.gz KHOMURUTSFKMAJ-QFUCXCTJSA-N 1 0 356.514 3.841 20 30 FHEDRO N#CC(CC[N@H+]1CC[C@H](N2CCCC2=O)C1)(c1ccccc1)c1ccccc1 ZINC000277876019 936074870 /nfs/dbraw/zinc/07/48/70/936074870.db2.gz YUJYALPAGJCPFG-QFIPXVFZSA-N 1 0 373.500 3.583 20 30 FHEDRO N#CC(CC[N@H+]1CC[C@@H](N2CCCC2=O)C1)(c1ccccc1)c1ccccc1 ZINC000277876013 936074891 /nfs/dbraw/zinc/07/48/91/936074891.db2.gz YUJYALPAGJCPFG-JOCHJYFZSA-N 1 0 373.500 3.583 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000582757573 936082241 /nfs/dbraw/zinc/08/22/41/936082241.db2.gz IFOKCDUURVBZSI-MRXNPFEDSA-N 1 0 356.470 3.947 20 30 FHEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000046529352 936129004 /nfs/dbraw/zinc/12/90/04/936129004.db2.gz GUKODSILIRJVGI-OAHLLOKOSA-N 1 0 365.260 3.737 20 30 FHEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc(Br)c1O ZINC000078878068 936301009 /nfs/dbraw/zinc/30/10/09/936301009.db2.gz RELPBHORAXPBIG-LLVKDONJSA-N 1 0 361.239 3.886 20 30 FHEDRO CC1CCC([NH+]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)CC1 ZINC000438851490 945155450 /nfs/dbraw/zinc/15/54/50/945155450.db2.gz YFBFYYFUPUJQGU-DQVLVPHSSA-N 1 0 368.525 3.937 20 30 FHEDRO Cc1ccc[n+](C(C(=O)c2nccs2)C(=S)N[C@@H]2CCCC[C@H]2C)c1 ZINC000278264762 938263025 /nfs/dbraw/zinc/26/30/25/938263025.db2.gz OAZORYBBFHJBPF-HUUCEWRRSA-O 1 0 374.555 3.846 20 30 FHEDRO C[C@H]1CCCC[C@H]1NC(=S)C(C(=O)c1nccs1)[n+]1ccccc1 ZINC000278298680 938292495 /nfs/dbraw/zinc/29/24/95/938292495.db2.gz RJRNEBVVJOMNOZ-UONOGXRCSA-O 1 0 360.528 3.538 20 30 FHEDRO Cc1cnc(-c2cccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)o1 ZINC000329223410 938293662 /nfs/dbraw/zinc/29/36/62/938293662.db2.gz XZUQUAFRNPTECP-SFHVURJKSA-N 1 0 354.454 3.756 20 30 FHEDRO Cc1cc(C)n(-c2cccc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c2)n1 ZINC000329269520 938309858 /nfs/dbraw/zinc/30/98/58/938309858.db2.gz GUZOOSCMCWMTBW-HXUWFJFHSA-N 1 0 367.497 3.595 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000583598190 938315161 /nfs/dbraw/zinc/31/51/61/938315161.db2.gz MMTZKMOEMZAPBR-IBGZPJMESA-N 1 0 353.514 3.517 20 30 FHEDRO C=CCC1(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000458611783 938322963 /nfs/dbraw/zinc/32/29/63/938322963.db2.gz NLQCFEZSOLSISY-UHFFFAOYSA-N 1 0 356.514 3.876 20 30 FHEDRO CC(C)(C)Cc1nc2cc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccc2o1 ZINC000329305321 938337730 /nfs/dbraw/zinc/33/77/30/938337730.db2.gz ASHNZFBNTNFAST-HNNXBMFYSA-N 1 0 356.470 3.742 20 30 FHEDRO Cc1ccc2cc(CN(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc2n1 ZINC000583720061 938373372 /nfs/dbraw/zinc/37/33/72/938373372.db2.gz PIPFCQGPFHEEMO-UHFFFAOYSA-N 1 0 358.489 3.979 20 30 FHEDRO Cc1ccnc(-c2cccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2)n1 ZINC000329429296 938404545 /nfs/dbraw/zinc/40/45/45/938404545.db2.gz GZJMEVIMCAUDQU-LJQANCHMSA-N 1 0 365.481 3.558 20 30 FHEDRO C[NH+]=C(NCc1nc(C)cs1)N1CC[C@H](CSc2ccccc2)C1 ZINC000176793298 938414980 /nfs/dbraw/zinc/41/49/80/938414980.db2.gz RDJGHIFSAQFZAS-HNNXBMFYSA-N 1 0 360.552 3.641 20 30 FHEDRO C[NH+]=C(NCc1nc(C)cs1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000176793316 938415321 /nfs/dbraw/zinc/41/53/21/938415321.db2.gz RDJGHIFSAQFZAS-OAHLLOKOSA-N 1 0 360.552 3.641 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(CC#N)cc3)cc2)C1 ZINC000536152536 938465798 /nfs/dbraw/zinc/46/57/98/938465798.db2.gz VMHKAXLORPLJCV-SFHVURJKSA-N 1 0 361.489 3.915 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc4c(n3)CCCC4)CC2)cc1 ZINC000278486585 938471044 /nfs/dbraw/zinc/47/10/44/938471044.db2.gz PEHMOMIPQYSRMG-UHFFFAOYSA-N 1 0 360.505 3.586 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2)cc1 ZINC000583982081 938518128 /nfs/dbraw/zinc/51/81/28/938518128.db2.gz MNCDTCGCJWXPTB-MSOLQXFVSA-N 1 0 362.433 3.709 20 30 FHEDRO N#CCc1ccc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000536181545 938522882 /nfs/dbraw/zinc/52/28/82/938522882.db2.gz YQMCGEPJDKKBPL-UHFFFAOYSA-N 1 0 363.461 3.870 20 30 FHEDRO Cc1c2cc(Cl)ccc2sc1C[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000583994778 938526010 /nfs/dbraw/zinc/52/60/10/938526010.db2.gz ORCVDZYGRZKUKV-GFCCVEGCSA-N 1 0 371.897 3.763 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1OC ZINC000584058825 938575818 /nfs/dbraw/zinc/57/58/18/938575818.db2.gz PAOHIPUSVDWBMO-LJQANCHMSA-N 1 0 368.477 3.569 20 30 FHEDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000584080917 938589778 /nfs/dbraw/zinc/58/97/78/938589778.db2.gz ZXVSFBFNLLFBRO-NRFANRHFSA-N 1 0 352.478 3.976 20 30 FHEDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801184 938599390 /nfs/dbraw/zinc/59/93/90/938599390.db2.gz KFYOOCBJFUQSCF-INIZCTEOSA-N 1 0 350.422 3.740 20 30 FHEDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278632683 938605191 /nfs/dbraw/zinc/60/51/91/938605191.db2.gz KUGJKOVTLGJXGY-RTBURBONSA-N 1 0 367.497 3.542 20 30 FHEDRO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807503 938614761 /nfs/dbraw/zinc/61/47/61/938614761.db2.gz VQQZMZIZZJLIBT-IERDGZPVSA-N 1 0 362.477 3.680 20 30 FHEDRO N#CCCn1cc(C[NH2+]CC2(c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000278650788 938621170 /nfs/dbraw/zinc/62/11/70/938621170.db2.gz MKUWWBMMLLLOCE-UHFFFAOYSA-N 1 0 357.461 3.680 20 30 FHEDRO N#CCCn1cc(C[NH2+][C@H]2CCc3ccccc3C2)c(-c2ccncc2)n1 ZINC000278685352 938651386 /nfs/dbraw/zinc/65/13/86/938651386.db2.gz PIJHFRFEHWWLRS-NRFANRHFSA-N 1 0 357.461 3.506 20 30 FHEDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1(C)C ZINC000278701869 938669515 /nfs/dbraw/zinc/66/95/15/938669515.db2.gz QVTGHEYZZCYFCG-RBUKOAKNSA-N 1 0 367.497 3.540 20 30 FHEDRO N#CCCn1cc(C[NH2+]CCCOC2CCCCC2)c(-c2ccncc2)n1 ZINC000278708736 938673248 /nfs/dbraw/zinc/67/32/48/938673248.db2.gz ROTOHVNYIAKYPW-UHFFFAOYSA-N 1 0 367.497 3.688 20 30 FHEDRO CC[N@H+](CCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CCC(F)(F)F ZINC000425763558 945194777 /nfs/dbraw/zinc/19/47/77/945194777.db2.gz XIKFHTPRWRYSHU-AWEZNQCLSA-N 1 0 370.419 3.535 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000248642103 938694742 /nfs/dbraw/zinc/69/47/42/938694742.db2.gz ZAPALSCWQUUGDL-QUCCMNQESA-N 1 0 371.477 3.731 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000584350783 938696183 /nfs/dbraw/zinc/69/61/83/938696183.db2.gz CMPRILVLNOSQBB-CABCVRRESA-N 1 0 352.438 3.906 20 30 FHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccccc2C#N)CC1 ZINC000179085113 938801851 /nfs/dbraw/zinc/80/18/51/938801851.db2.gz HFCBRFRTCYWRNS-KRWDZBQOSA-N 1 0 366.484 3.690 20 30 FHEDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000118395395 938821882 /nfs/dbraw/zinc/82/18/82/938821882.db2.gz XVHOLZRNAZJONH-HNNXBMFYSA-N 1 0 353.491 3.884 20 30 FHEDRO CCc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000278767772 938846069 /nfs/dbraw/zinc/84/60/69/938846069.db2.gz YBYZXRQJOQKNCX-UHFFFAOYSA-N 1 0 351.479 3.772 20 30 FHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458799046 938929378 /nfs/dbraw/zinc/92/93/78/938929378.db2.gz IZIICSTXPUNQDY-FXAWDEMLSA-N 1 0 356.514 3.793 20 30 FHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1N1CCOCC1 ZINC000093872428 938931520 /nfs/dbraw/zinc/93/15/20/938931520.db2.gz NFMWLWSEFVGRIJ-GGAORHGYSA-N 1 0 361.489 3.795 20 30 FHEDRO [NH2+]=C(NC[C@H](O)c1cc2ccccc2s1)Nc1ccc2c(c1)CCC2 ZINC000262402955 938935850 /nfs/dbraw/zinc/93/58/50/938935850.db2.gz NZICVMPTLKGLIT-KRWDZBQOSA-N 1 0 351.475 3.850 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000458800931 938941224 /nfs/dbraw/zinc/94/12/24/938941224.db2.gz MEERDEGAARLDMJ-VQTJNVASSA-N 1 0 354.498 3.691 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000458802160 938949683 /nfs/dbraw/zinc/94/96/83/938949683.db2.gz PCQIKQFRXUXLJF-NRFANRHFSA-N 1 0 368.525 3.939 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000171715148 938988284 /nfs/dbraw/zinc/98/82/84/938988284.db2.gz FDQNQBOSDYIREW-LSDHHAIUSA-N 1 0 353.293 3.864 20 30 FHEDRO N#Cc1ccc2c(n1)CCCN2C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000892398044 938992419 /nfs/dbraw/zinc/99/24/19/938992419.db2.gz CKRLEULDIHJUFB-UHFFFAOYSA-N 1 0 360.461 3.532 20 30 FHEDRO C=C(C)CNC(=S)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000065704429 938992613 /nfs/dbraw/zinc/99/26/13/938992613.db2.gz BQCBTZRSUAXOIR-UHFFFAOYSA-N 1 0 359.461 3.520 20 30 FHEDRO C[C@@H](CCSc1ccccc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000431601215 938995002 /nfs/dbraw/zinc/99/50/02/938995002.db2.gz BSYVVQPDUKNVOQ-KRWDZBQOSA-N 1 0 352.507 3.646 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000174144874 938998841 /nfs/dbraw/zinc/99/88/41/938998841.db2.gz WJIUEDZCOWPOGA-SJORKVTESA-N 1 0 357.498 3.889 20 30 FHEDRO N#Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612037576 939023420 /nfs/dbraw/zinc/02/34/20/939023420.db2.gz GPHZEEXFRZHYNO-KSEOMHKRSA-N 1 0 374.488 3.980 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000188191760 939031603 /nfs/dbraw/zinc/03/16/03/939031603.db2.gz KZKZNFJJEGQBRU-AVRDEDQJSA-N 1 0 373.500 3.759 20 30 FHEDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000612075146 939038908 /nfs/dbraw/zinc/03/89/08/939038908.db2.gz IPIXTNBQORCJGZ-JOCHJYFZSA-N 1 0 353.510 3.756 20 30 FHEDRO C=CCOCCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000658209509 939070135 /nfs/dbraw/zinc/07/01/35/939070135.db2.gz GFNIXLZMGNTHNK-IAGOWNOFSA-N 1 0 354.288 3.852 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@](C)(C#N)C2)c2ccccc2)CC1 ZINC000612114434 939078987 /nfs/dbraw/zinc/07/89/87/939078987.db2.gz FZEVWOAWDQQYIE-RBBKRZOGSA-N 1 0 368.525 3.795 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@](C)(C#N)C2)CC1 ZINC000612127885 939107971 /nfs/dbraw/zinc/10/79/71/939107971.db2.gz ARDPQDOLEOVZSS-LAUBAEHRSA-N 1 0 354.498 3.547 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@](C)(C#N)C2)CC1 ZINC000612127884 939108154 /nfs/dbraw/zinc/10/81/54/939108154.db2.gz ARDPQDOLEOVZSS-DYESRHJHSA-N 1 0 354.498 3.547 20 30 FHEDRO C=C(C)COc1cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)ccc1OC ZINC000093864411 945233596 /nfs/dbraw/zinc/23/35/96/945233596.db2.gz YXPJHQLPAGROMQ-SFHVURJKSA-N 1 0 355.482 3.893 20 30 FHEDRO Fc1cc2cccnc2c(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255771806 939198012 /nfs/dbraw/zinc/19/80/12/939198012.db2.gz MLWNRCRHNRBCQJ-UHFFFAOYSA-N 1 0 365.408 3.761 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)c(C#N)c1C ZINC000181664629 945237683 /nfs/dbraw/zinc/23/76/83/945237683.db2.gz HEUKXLLHLIEITO-GOSISDBHSA-N 1 0 357.429 3.703 20 30 FHEDRO CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000507446468 945241586 /nfs/dbraw/zinc/24/15/86/945241586.db2.gz DUIFKZBLWYYJIK-CXAGYDPISA-N 1 0 368.506 3.732 20 30 FHEDRO C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518238357 945249259 /nfs/dbraw/zinc/24/92/59/945249259.db2.gz UPIYBXYZYCBSOM-KRWDZBQOSA-N 1 0 374.488 3.776 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000511839476 945256386 /nfs/dbraw/zinc/25/63/86/945256386.db2.gz VMELNHCBZOVVHO-CWKRKGSWSA-N 1 0 362.473 3.566 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)c(C#N)c1C ZINC000179526630 939882025 /nfs/dbraw/zinc/88/20/25/939882025.db2.gz IYUTUJMKIVNVHH-CQSZACIVSA-N 1 0 355.438 3.845 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000179615719 939895779 /nfs/dbraw/zinc/89/57/79/939895779.db2.gz UGTOXUDHGPDOBT-CYBMUJFWSA-N 1 0 362.376 3.898 20 30 FHEDRO C=CCC1(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCCC1 ZINC000658721610 939922094 /nfs/dbraw/zinc/92/20/94/939922094.db2.gz LFQMDZMQPNFYIH-UHFFFAOYSA-N 1 0 369.509 3.616 20 30 FHEDRO C[N@@H+]1CC[C@@H](CNC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000364321405 939923248 /nfs/dbraw/zinc/92/32/48/939923248.db2.gz KSJYQRZNEJUYLA-HNAYVOBHSA-N 1 0 371.531 3.521 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000364528651 939954733 /nfs/dbraw/zinc/95/47/33/939954733.db2.gz JTFMHOWNIGPZKH-SFHVURJKSA-N 1 0 364.493 3.948 20 30 FHEDRO C=CCC[C@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccco1 ZINC000375851982 939973997 /nfs/dbraw/zinc/97/39/97/939973997.db2.gz MRDLUDGWUGNCGH-IRXDYDNUSA-N 1 0 356.470 3.802 20 30 FHEDRO N#CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000065858077 939989121 /nfs/dbraw/zinc/98/91/21/939989121.db2.gz ODFZSOQXHPWORX-GOSISDBHSA-N 1 0 351.425 3.742 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(N[C@H]3COc4cc(F)cc(F)c43)CC2)cc1 ZINC000612403954 940049106 /nfs/dbraw/zinc/04/91/06/940049106.db2.gz DSQFYPGRNDMVDM-IBGZPJMESA-N 1 0 369.415 3.524 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(OCC4CC4)cc3)CC2)nc1 ZINC000365082041 940053323 /nfs/dbraw/zinc/05/33/23/940053323.db2.gz CEIMPNPRETWUEV-UHFFFAOYSA-N 1 0 362.477 3.501 20 30 FHEDRO COc1ccc(C[NH+]2CCC(n3ccc(C)n3)CC2)cc1OCCCC#N ZINC000375922169 940066230 /nfs/dbraw/zinc/06/62/30/940066230.db2.gz UWNCYNVVOJZXDZ-UHFFFAOYSA-N 1 0 368.481 3.720 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21)c1ccc(C#N)cc1 ZINC000548936752 940108798 /nfs/dbraw/zinc/10/87/98/940108798.db2.gz LIDCMLWDRDSHLC-AQKFKSFVSA-N 1 0 350.462 3.664 20 30 FHEDRO C=CCn1c(C2CCC2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000570130334 940155194 /nfs/dbraw/zinc/15/51/94/940155194.db2.gz OPVAWFSULSUAEN-UHFFFAOYSA-N 1 0 357.546 3.824 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000413824717 940159903 /nfs/dbraw/zinc/15/99/03/940159903.db2.gz DGWIUTABZMONAT-KCZVDYSFSA-N 1 0 367.537 3.832 20 30 FHEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000179967081 940175217 /nfs/dbraw/zinc/17/52/17/940175217.db2.gz BJBNRUDHUGYCOC-IFXJQAMLSA-N 1 0 367.424 3.552 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000612607053 940178275 /nfs/dbraw/zinc/17/82/75/940178275.db2.gz VOZFTBWNGKXXBO-GOSISDBHSA-N 1 0 353.853 3.558 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2cc3ccccc3o2)c(OC)c1 ZINC000548949832 940191278 /nfs/dbraw/zinc/19/12/78/940191278.db2.gz DMBGPTCVXGALSJ-GOSISDBHSA-N 1 0 367.445 3.699 20 30 FHEDRO C=C[C@H]1CCCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472456078 940208682 /nfs/dbraw/zinc/20/86/82/940208682.db2.gz NGIQSDNROLBKNU-PCKAHOCUSA-N 1 0 359.436 3.542 20 30 FHEDRO Cn1cc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180025393 940272664 /nfs/dbraw/zinc/27/26/64/940272664.db2.gz QVKNTBDWKIGXBN-OAQYLSRUSA-N 1 0 357.461 3.645 20 30 FHEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000612906395 940333464 /nfs/dbraw/zinc/33/34/64/940333464.db2.gz XPDFFSFTPUQYEJ-UXHICEINSA-N 1 0 365.502 3.896 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cnn(C)c2C)cc1Cl ZINC000431713106 940379525 /nfs/dbraw/zinc/37/95/25/940379525.db2.gz RRXYHLKYWRNWDE-PKOBYXMFSA-N 1 0 361.873 3.567 20 30 FHEDRO COc1cc(C#N)ccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000548973981 940395149 /nfs/dbraw/zinc/39/51/49/940395149.db2.gz GBFNOHOGNQMOLH-KRWDZBQOSA-N 1 0 372.856 3.645 20 30 FHEDRO C[N@H+](CCCc1ccc2c(c1)CCO2)CCOCc1ccc(C#N)cc1 ZINC000580006360 940430585 /nfs/dbraw/zinc/43/05/85/940430585.db2.gz WPYXVCOKLJIEFH-UHFFFAOYSA-N 1 0 350.462 3.574 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376198530 940453063 /nfs/dbraw/zinc/45/30/63/940453063.db2.gz QFICLUUMDDHDHA-UHFFFAOYSA-N 1 0 363.465 3.642 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000177861474 940469423 /nfs/dbraw/zinc/46/94/23/940469423.db2.gz BAMDHSUVWWYZPH-AWEZNQCLSA-N 1 0 357.404 3.524 20 30 FHEDRO N#Cc1csc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000580745897 940484644 /nfs/dbraw/zinc/48/46/44/940484644.db2.gz BRECGSMLEWWQBB-PKOBYXMFSA-N 1 0 352.507 3.501 20 30 FHEDRO CC(C)(CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000431773424 940492069 /nfs/dbraw/zinc/49/20/69/940492069.db2.gz BBAIRCJGPVZRGA-IBGZPJMESA-N 1 0 356.514 3.985 20 30 FHEDRO N#C[C@H]1CCC[C@H](Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)C1 ZINC000613252263 940493588 /nfs/dbraw/zinc/49/35/88/940493588.db2.gz MKFVQRBTGWHMTG-PXNSSMCTSA-N 1 0 354.498 3.995 20 30 FHEDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000414096238 940498731 /nfs/dbraw/zinc/49/87/31/940498731.db2.gz ICHVEPSJJBWZCW-RHSMWYFYSA-N 1 0 374.282 3.634 20 30 FHEDRO C[N@@H+](Cc1ccc(Br)s1)C[C@H](O)c1ccc(C#N)cc1 ZINC000177991905 940500014 /nfs/dbraw/zinc/50/00/14/940500014.db2.gz HHKMJCUHQXBNQL-AWEZNQCLSA-N 1 0 351.269 3.548 20 30 FHEDRO C[NH+](C)CCOc1ccc(CN=Nc2nc(C(F)(F)F)cs2)cc1 ZINC000755903723 940502600 /nfs/dbraw/zinc/50/26/00/940502600.db2.gz IYPONXHWJKCEKL-UHFFFAOYSA-N 1 0 358.389 3.548 20 30 FHEDRO Cc1nsc(N2CCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)c1C#N ZINC000581580468 940509429 /nfs/dbraw/zinc/50/94/29/940509429.db2.gz BHBDOODPRKWAMH-UHFFFAOYSA-N 1 0 367.453 3.646 20 30 FHEDRO C[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000431812688 940636959 /nfs/dbraw/zinc/63/69/59/940636959.db2.gz UPOUZZBCOUHBBH-WSTZPKSXSA-N 1 0 356.514 3.984 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000075267633 940639696 /nfs/dbraw/zinc/63/96/96/940639696.db2.gz FPELXRUGLSKOPX-KRWDZBQOSA-N 1 0 365.477 3.770 20 30 FHEDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000582153970 940650772 /nfs/dbraw/zinc/65/07/72/940650772.db2.gz VJWZPQRQTWSTJY-INIZCTEOSA-N 1 0 367.415 3.705 20 30 FHEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C(C)(C)C1 ZINC000282491255 940694120 /nfs/dbraw/zinc/69/41/20/940694120.db2.gz MNKPPSINXYPONS-SFHVURJKSA-N 1 0 373.497 3.714 20 30 FHEDRO Cn1cc(C[NH2+]CCc2ccccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000180152668 940700633 /nfs/dbraw/zinc/70/06/33/940700633.db2.gz BZLUSGLWDLQGAD-UHFFFAOYSA-N 1 0 350.853 3.944 20 30 FHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COCc1cccs1)c1ccc(F)c(F)c1 ZINC000187791604 940730460 /nfs/dbraw/zinc/73/04/60/940730460.db2.gz ZXMMXIXZMNOSRL-RDTXWAMCSA-N 1 0 353.434 3.811 20 30 FHEDRO CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000330082154 945348591 /nfs/dbraw/zinc/34/85/91/945348591.db2.gz ANMKVXUCHZLUGS-DLBZAZTESA-N 1 0 363.546 3.635 20 30 FHEDRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330087619 945349863 /nfs/dbraw/zinc/34/98/63/945349863.db2.gz TZWURJLPBVGTSZ-IBGZPJMESA-N 1 0 372.513 3.774 20 30 FHEDRO CO[C@H](C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccccc1 ZINC000549040660 940808425 /nfs/dbraw/zinc/80/84/25/940808425.db2.gz KCGDUELLCGWXSZ-JOCHJYFZSA-N 1 0 372.472 3.616 20 30 FHEDRO N#CCOc1ccc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000278802481 940821382 /nfs/dbraw/zinc/82/13/82/940821382.db2.gz FZTAAGRDDRNCHD-UHFFFAOYSA-N 1 0 350.466 3.501 20 30 FHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc2ccccc2c1I ZINC001218203101 940829987 /nfs/dbraw/zinc/82/99/87/940829987.db2.gz BSKLUBXQLHFVCK-HNNXBMFYSA-N 1 0 365.214 3.741 20 30 FHEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(F)c(Br)cc1Br ZINC001218210488 940839057 /nfs/dbraw/zinc/83/90/57/940839057.db2.gz DJLXAKQPYPVIMS-GFCCVEGCSA-N 1 0 365.040 3.648 20 30 FHEDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000180251036 940875893 /nfs/dbraw/zinc/87/58/93/940875893.db2.gz ADIWRPRZCYBMHN-RXVVDRJESA-N 1 0 352.482 3.594 20 30 FHEDRO Cc1ccccc1O[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180255070 940884280 /nfs/dbraw/zinc/88/42/80/940884280.db2.gz YODUQQKPXNGHTK-KRWDZBQOSA-N 1 0 360.461 3.824 20 30 FHEDRO C=CCc1ccc(NC(=O)C(C)(C)C)c(-n2nc(C[NH3+])c3ccccc32)n1 ZINC001167696239 940904852 /nfs/dbraw/zinc/90/48/52/940904852.db2.gz BXDOTSYQBYQRGR-UHFFFAOYSA-N 1 0 363.465 3.592 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000414292918 940907079 /nfs/dbraw/zinc/90/70/79/940907079.db2.gz CLBUBIVINJFTLS-APWZRJJASA-N 1 0 373.518 3.937 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000180277012 940910282 /nfs/dbraw/zinc/91/02/82/940910282.db2.gz MUHQEMAZAAMYIA-CQSZACIVSA-N 1 0 364.424 3.957 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000170949092 940927744 /nfs/dbraw/zinc/92/77/44/940927744.db2.gz YSRMWXPUIZSCLX-ZDUSSCGKSA-N 1 0 355.309 3.939 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414310864 940941514 /nfs/dbraw/zinc/94/15/14/940941514.db2.gz XGJQNUDWAVYOHI-XLIONFOSSA-N 1 0 372.534 3.775 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)c2cccc(SCC#N)c2)[NH+]2CCCC2)o1 ZINC000176037702 940972276 /nfs/dbraw/zinc/97/22/76/940972276.db2.gz JJGMPCPGSITCPK-SFHVURJKSA-N 1 0 369.490 3.771 20 30 FHEDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180351587 940986342 /nfs/dbraw/zinc/98/63/42/940986342.db2.gz VNHYILNCLPORLW-KDOFPFPSSA-N 1 0 366.490 3.622 20 30 FHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3cc(C#N)cs3)CCN2C2CC2)c1 ZINC000180379163 940992470 /nfs/dbraw/zinc/99/24/70/940992470.db2.gz HRWQWXGAUGFTQD-PMACEKPBSA-N 1 0 353.491 3.696 20 30 FHEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000414346918 941018343 /nfs/dbraw/zinc/01/83/43/941018343.db2.gz VUOOKARXWMUWNQ-CVDCTZTESA-N 1 0 361.489 3.929 20 30 FHEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000414350505 941027840 /nfs/dbraw/zinc/02/78/40/941027840.db2.gz LMMTVAVDJJBNGY-RDTXWAMCSA-N 1 0 362.315 3.695 20 30 FHEDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180554161 941047419 /nfs/dbraw/zinc/04/74/19/941047419.db2.gz IHDJEKCREVAVPO-SFHVURJKSA-N 1 0 354.450 3.717 20 30 FHEDRO C[N@@H+]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000180661275 941060167 /nfs/dbraw/zinc/06/01/67/941060167.db2.gz ALWZXBPAZOVBQE-UHFFFAOYSA-N 1 0 350.422 3.520 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000376473126 941065999 /nfs/dbraw/zinc/06/59/99/941065999.db2.gz RJQXKBXVSYIQGV-ICSRJNTNSA-N 1 0 352.482 3.965 20 30 FHEDRO N#Cc1ccc(C2(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000188756039 941076938 /nfs/dbraw/zinc/07/69/38/941076938.db2.gz MKINGGTXTVADHG-UHFFFAOYSA-N 1 0 359.473 3.867 20 30 FHEDRO C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180857800 941086027 /nfs/dbraw/zinc/08/60/27/941086027.db2.gz LQNIVGHGRYITOW-WBVHZDCISA-N 1 0 371.529 3.889 20 30 FHEDRO C[C@H](c1nc2ccccc2o1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000180891232 941088411 /nfs/dbraw/zinc/08/84/11/941088411.db2.gz YVIZSMYZNJYXNW-QGZVFWFLSA-N 1 0 360.461 3.968 20 30 FHEDRO CCCC(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177100083 941101855 /nfs/dbraw/zinc/10/18/55/941101855.db2.gz VWJQQCNRNXPESH-QGZVFWFLSA-N 1 0 366.427 3.685 20 30 FHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CC2CCC2)c2ccccc2)c1 ZINC000181354526 941132160 /nfs/dbraw/zinc/13/21/60/941132160.db2.gz LCSLRCKEARIBNW-OAQYLSRUSA-N 1 0 368.502 3.853 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000177916787 941153117 /nfs/dbraw/zinc/15/31/17/941153117.db2.gz LDEGASLMBWEOOI-HNAYVOBHSA-N 1 0 366.440 3.872 20 30 FHEDRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000311303016 941227015 /nfs/dbraw/zinc/22/70/15/941227015.db2.gz LABPPOMYVCYIJG-FQEVSTJZSA-N 1 0 361.486 3.618 20 30 FHEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589191671 941237210 /nfs/dbraw/zinc/23/72/10/941237210.db2.gz AOXHISHSYMXIEK-LJQANCHMSA-N 1 0 365.502 3.850 20 30 FHEDRO C[C@H]1C[C@H](N(C)C(=O)C2(C#N)CC3(CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000601207916 941241529 /nfs/dbraw/zinc/24/15/29/941241529.db2.gz TVKBGOXHRPLUND-PKOBYXMFSA-N 1 0 351.494 3.582 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)Nc2cccc(C#N)c2C)[NH+]2CCCC2)o1 ZINC000178585143 941281787 /nfs/dbraw/zinc/28/17/87/941281787.db2.gz HGPCGZZIRNRFGT-SFHVURJKSA-N 1 0 352.438 3.727 20 30 FHEDRO C=CCCN(OCc1ccccc1)C(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000782966866 941349943 /nfs/dbraw/zinc/34/99/43/941349943.db2.gz LGJJHPVSMVEFOS-UHFFFAOYSA-N 1 0 357.498 3.746 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(O)c1 ZINC000181537114 941367100 /nfs/dbraw/zinc/36/71/00/941367100.db2.gz CCRZEPHXNFQKKF-LSDHHAIUSA-N 1 0 369.490 3.933 20 30 FHEDRO COCCCOc1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376647918 941371382 /nfs/dbraw/zinc/37/13/82/941371382.db2.gz BTOKUEACNHMAQS-UHFFFAOYSA-N 1 0 365.477 3.554 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000376661768 941375640 /nfs/dbraw/zinc/37/56/40/941375640.db2.gz UQARYGJMMIXOKP-DOTOQJQBSA-N 1 0 362.543 3.760 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000376671734 941376773 /nfs/dbraw/zinc/37/67/73/941376773.db2.gz KEIFSGMDHAIFOY-MRXNPFEDSA-N 1 0 362.543 3.589 20 30 FHEDRO C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(OCC#N)cc1 ZINC000181800267 941386180 /nfs/dbraw/zinc/38/61/80/941386180.db2.gz WKAJENCAIJYFAE-KBXCAEBGSA-N 1 0 359.470 3.543 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376839934 941447518 /nfs/dbraw/zinc/44/75/18/941447518.db2.gz ASGPLEMZBMWYEK-BBRMVZONSA-N 1 0 359.495 3.508 20 30 FHEDRO CS[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000414904083 941509360 /nfs/dbraw/zinc/50/93/60/941509360.db2.gz LAQSYVLEAKZORG-HXUWFJFHSA-N 1 0 367.518 3.553 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H](C)C[NH2+]1 ZINC000415006104 941541814 /nfs/dbraw/zinc/54/18/14/941541814.db2.gz JYUJUZGMRDBOQJ-CABCVRRESA-N 1 0 350.422 3.565 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000415014738 941542679 /nfs/dbraw/zinc/54/26/79/941542679.db2.gz XGFXHSGOXJUBHC-YOEHRIQHSA-N 1 0 350.422 3.613 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC([NH3+])CC1 ZINC000415023516 941548033 /nfs/dbraw/zinc/54/80/33/941548033.db2.gz MZYIRZXZMAXBQQ-UHFFFAOYSA-N 1 0 350.422 3.614 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC000415031793 941555908 /nfs/dbraw/zinc/55/59/08/941555908.db2.gz FLYSYRVQTKGHHV-IRXDYDNUSA-N 1 0 364.449 3.990 20 30 FHEDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415032762 941556214 /nfs/dbraw/zinc/55/62/14/941556214.db2.gz GMFSPFZZRUEWIV-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO CC1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[NH2+]CC1 ZINC000415033338 941556300 /nfs/dbraw/zinc/55/63/00/941556300.db2.gz GYYRXQUBBBRXQI-UHFFFAOYSA-N 1 0 364.449 3.862 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H](C)C[NH2+]1 ZINC000415033196 941556508 /nfs/dbraw/zinc/55/65/08/941556508.db2.gz GSLKNXAXBQSOCX-CABCVRRESA-N 1 0 350.422 3.565 20 30 FHEDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC1 ZINC000415036907 941563384 /nfs/dbraw/zinc/56/33/84/941563384.db2.gz KONNNRWIPJVEPX-FQEVSTJZSA-N 1 0 350.422 3.599 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccnc2-c2csc(C)c2)CC1 ZINC000189182953 941570966 /nfs/dbraw/zinc/57/09/66/941570966.db2.gz SLBKHOIAXVVCPE-UHFFFAOYSA-N 1 0 356.495 3.890 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000415060247 941571719 /nfs/dbraw/zinc/57/17/19/941571719.db2.gz JUHKMVHGVNMKKQ-WBVHZDCISA-N 1 0 364.449 3.860 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415064335 941576646 /nfs/dbraw/zinc/57/66/46/941576646.db2.gz QEDKICLGOVIRMS-UHFFFAOYSA-N 1 0 364.449 3.875 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1Cl ZINC000415100048 941603215 /nfs/dbraw/zinc/60/32/15/941603215.db2.gz ACNRIOWXBWPZAD-AZUAARDMSA-N 1 0 364.917 3.623 20 30 FHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000415117043 941613304 /nfs/dbraw/zinc/61/33/04/941613304.db2.gz FQOXROWZSDGNGW-MRXNPFEDSA-N 1 0 366.465 3.695 20 30 FHEDRO CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CC[NH2+]CC1 ZINC000415150515 941630307 /nfs/dbraw/zinc/63/03/07/941630307.db2.gz QEMOVWLVFREPDW-UHFFFAOYSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415148419 941634164 /nfs/dbraw/zinc/63/41/64/941634164.db2.gz LBGSNHSPTLCZDD-ZBFHGGJFSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000415151736 941635144 /nfs/dbraw/zinc/63/51/44/941635144.db2.gz AYNWOKVFYKIBSF-AWEZNQCLSA-N 1 0 366.490 3.863 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2)c1 ZINC000415155078 941637467 /nfs/dbraw/zinc/63/74/67/941637467.db2.gz FDGNMGHCIPJJMK-RDJZCZTQSA-N 1 0 350.422 3.599 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415151658 941639697 /nfs/dbraw/zinc/63/96/97/941639697.db2.gz APOYFGMFSHNXHE-WMLDXEAASA-N 1 0 360.527 3.967 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000415151690 941639737 /nfs/dbraw/zinc/63/97/37/941639737.db2.gz ATDDLNWUSMWLTE-HOCLYGCPSA-N 1 0 354.479 3.902 20 30 FHEDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415160022 941642742 /nfs/dbraw/zinc/64/27/42/941642742.db2.gz KSGMNGLVBZVLSI-KRWDZBQOSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415166172 941647909 /nfs/dbraw/zinc/64/79/09/941647909.db2.gz RAAIJWLIXLXNCU-QKPAOTATSA-N 1 0 358.511 3.672 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[NH2+]1 ZINC000415235358 941691000 /nfs/dbraw/zinc/69/10/00/941691000.db2.gz CLFUORBWIPBFHE-CJNGLKHVSA-N 1 0 368.412 3.752 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000415237522 941692374 /nfs/dbraw/zinc/69/23/74/941692374.db2.gz IWEJBLWORQFLHB-GJZGRUSLSA-N 1 0 368.412 3.881 20 30 FHEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415241235 941696025 /nfs/dbraw/zinc/69/60/25/941696025.db2.gz RQFNYMRUQRCDDY-KBPBESRZSA-N 1 0 368.412 3.691 20 30 FHEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415241236 941696076 /nfs/dbraw/zinc/69/60/76/941696076.db2.gz RQFNYMRUQRCDDY-KGLIPLIRSA-N 1 0 368.412 3.691 20 30 FHEDRO CCc1ccc([C@@H](C#N)NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000377417903 941707059 /nfs/dbraw/zinc/70/70/59/941707059.db2.gz INQNOYQUSUSOFC-HXUWFJFHSA-N 1 0 362.477 3.550 20 30 FHEDRO N#CCn1c(C(=O)NCCCCCCC[NH+]2CCCC2)cc2ccccc21 ZINC000729339843 941724077 /nfs/dbraw/zinc/72/40/77/941724077.db2.gz BXIDCAMJEFIVGA-UHFFFAOYSA-N 1 0 366.509 3.941 20 30 FHEDRO Cn1c2ccccc2c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)sc21 ZINC000729341173 941724111 /nfs/dbraw/zinc/72/41/11/941724111.db2.gz FIBKDWUWIHZWJT-UHFFFAOYSA-N 1 0 368.506 3.701 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000549247866 941738824 /nfs/dbraw/zinc/73/88/24/941738824.db2.gz FLGANOQGRATBRT-QZTJIDSGSA-N 1 0 357.546 3.822 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c(Cl)c1 ZINC000415315251 941752155 /nfs/dbraw/zinc/75/21/55/941752155.db2.gz YXRFPSRUMZFFGO-DOTOQJQBSA-N 1 0 372.831 3.699 20 30 FHEDRO N#Cc1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)c(F)c1 ZINC000151146839 941760169 /nfs/dbraw/zinc/76/01/69/941760169.db2.gz JLNPBBGFXDXYJB-UHFFFAOYSA-N 1 0 355.432 3.633 20 30 FHEDRO C[C@H](NC(=[NH2+])Nc1cccc2c1CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000261621793 941780913 /nfs/dbraw/zinc/78/09/13/941780913.db2.gz BKXJJDZGOHXVLL-HWRSSNJWSA-N 1 0 355.507 3.791 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000513231239 941789417 /nfs/dbraw/zinc/78/94/17/941789417.db2.gz TUYDXIFVLAJWQX-UHFFFAOYSA-N 1 0 359.473 3.530 20 30 FHEDRO C=CCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513225517 941797298 /nfs/dbraw/zinc/79/72/98/941797298.db2.gz BEPCBTSYFBLYNP-LJQANCHMSA-N 1 0 350.462 3.646 20 30 FHEDRO C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549276099 941816954 /nfs/dbraw/zinc/81/69/54/941816954.db2.gz PMMVDDCCMGTRLK-UHFFFAOYSA-N 1 0 371.573 3.899 20 30 FHEDRO N#Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000122590649 941816986 /nfs/dbraw/zinc/81/69/86/941816986.db2.gz WXIONTIOQUFCSG-INIZCTEOSA-N 1 0 359.882 3.840 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1cccs1 ZINC000513281062 941828432 /nfs/dbraw/zinc/82/84/32/941828432.db2.gz JKWGDBVNASIIIC-FOIQADDNSA-N 1 0 371.481 3.501 20 30 FHEDRO Cc1nnc(CNC(N[C@H](C)c2cccc(Cl)c2)=[NH+]C2CCCC2)n1C ZINC000261939880 941828513 /nfs/dbraw/zinc/82/85/13/941828513.db2.gz DHHUSMDZPIMNJE-CYBMUJFWSA-N 1 0 374.920 3.516 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2c(F)cccc2C#N)[C@H]1c1cccs1 ZINC000513281064 941828673 /nfs/dbraw/zinc/82/86/73/941828673.db2.gz JKWGDBVNASIIIC-QRWLVFNGSA-N 1 0 371.481 3.501 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc4c(cccc4O)s3)CC2)nc1 ZINC000894222327 941847696 /nfs/dbraw/zinc/84/76/96/941847696.db2.gz SGXBMSPNEBSNCP-UHFFFAOYSA-N 1 0 364.474 3.632 20 30 FHEDRO [NH2+]=C(NCC1(c2ccc(F)cc2)CCOCC1)Nc1cc(F)ccc1F ZINC000262320994 941881561 /nfs/dbraw/zinc/88/15/61/941881561.db2.gz VSXXOULVMIPLIZ-UHFFFAOYSA-N 1 0 363.383 3.579 20 30 FHEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415531234 941882662 /nfs/dbraw/zinc/88/26/62/941882662.db2.gz DONCVHQQYZREPE-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[C@@H]1[NH3+] ZINC000415532636 941883106 /nfs/dbraw/zinc/88/31/06/941883106.db2.gz GRLJAVANLNNIBV-KDOFPFPSSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415536093 941889488 /nfs/dbraw/zinc/88/94/88/941889488.db2.gz MNOYRRNNRDNWLF-GJZGRUSLSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@](C[NH3+])(NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C1CC1 ZINC000415810111 942063672 /nfs/dbraw/zinc/06/36/72/942063672.db2.gz VFHJEIMVQUDKMF-HXUWFJFHSA-N 1 0 366.490 3.958 20 30 FHEDRO CN(C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@@H](C[NH3+])C1CC1 ZINC000415811389 942064372 /nfs/dbraw/zinc/06/43/72/942064372.db2.gz XJCNBNOOWCQSKU-SFHVURJKSA-N 1 0 366.490 3.910 20 30 FHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1-n1ccnn1 ZINC000513662704 942071976 /nfs/dbraw/zinc/07/19/76/942071976.db2.gz YULQCILHPSVLIK-MRXNPFEDSA-N 1 0 363.490 3.723 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000151167006 942078483 /nfs/dbraw/zinc/07/84/83/942078483.db2.gz WBBIGACUWRSHAR-UXHICEINSA-N 1 0 367.489 3.653 20 30 FHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C)c1C#N ZINC000501897884 942112975 /nfs/dbraw/zinc/11/29/75/942112975.db2.gz FYTDVMZITDOJRQ-AUUYWEPGSA-N 1 0 350.466 3.683 20 30 FHEDRO C=C[C@H](CC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccccc1 ZINC000533930642 942146323 /nfs/dbraw/zinc/14/63/23/942146323.db2.gz UNJKWOYTMNVJFU-LJQANCHMSA-N 1 0 364.489 3.942 20 30 FHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280254877 942149981 /nfs/dbraw/zinc/14/99/81/942149981.db2.gz XGJZEWYTPXXYGH-NRFANRHFSA-N 1 0 372.472 3.783 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Sc2ccccn2)CC1 ZINC000378010120 942163309 /nfs/dbraw/zinc/16/33/09/942163309.db2.gz STFYMJANSSPVFF-UHFFFAOYSA-N 1 0 372.519 3.600 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)ccc1OCc1ccccn1 ZINC000280703213 942236247 /nfs/dbraw/zinc/23/62/47/942236247.db2.gz SRKDUZRWYPCOMD-JTSKRJEESA-N 1 0 368.477 3.740 20 30 FHEDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000128394930 942239666 /nfs/dbraw/zinc/23/96/66/942239666.db2.gz ISXQDNDKLYXKRN-GOSISDBHSA-N 1 0 362.882 3.726 20 30 FHEDRO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC001104757922 942259567 /nfs/dbraw/zinc/25/95/67/942259567.db2.gz UNSZNPSSBGKCBM-IAGOWNOFSA-N 1 0 367.493 3.594 20 30 FHEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000421015882 942306699 /nfs/dbraw/zinc/30/66/99/942306699.db2.gz IMAJYHKZHMYOOB-HXUWFJFHSA-N 1 0 368.502 3.600 20 30 FHEDRO N#CCCCOc1cccc(CN(CC[NH3+])c2ccc3ccccc3n2)c1 ZINC000414489629 942309533 /nfs/dbraw/zinc/30/95/33/942309533.db2.gz NBPOCDJBIFJZRJ-UHFFFAOYSA-N 1 0 360.461 3.883 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000416092183 942332740 /nfs/dbraw/zinc/33/27/40/942332740.db2.gz BJRXQIPQBKVFLV-JOCHJYFZSA-N 1 0 359.473 3.961 20 30 FHEDRO COc1cc(C#N)ccc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000501208877 942352792 /nfs/dbraw/zinc/35/27/92/942352792.db2.gz LOVJGXGPIDHQIG-NRFANRHFSA-N 1 0 350.462 3.829 20 30 FHEDRO N#Cc1ncn(C2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)CC2)n1 ZINC000366496020 942455769 /nfs/dbraw/zinc/45/57/69/942455769.db2.gz UTMQFLNHPBHPJK-UHFFFAOYSA-N 1 0 372.354 3.558 20 30 FHEDRO COc1ccc(C[NH+]2CCC3(C[C@H]3c3nnc(C(C)C)o3)CC2)cc1C#N ZINC000378249675 942456998 /nfs/dbraw/zinc/45/69/98/942456998.db2.gz QGDGIMMAPUUUHG-KRWDZBQOSA-N 1 0 366.465 3.843 20 30 FHEDRO COc1ccc(CC[NH2+]Cc2ccc(C#N)c(F)c2)cc1OC(F)F ZINC000421321256 942481334 /nfs/dbraw/zinc/48/13/34/942481334.db2.gz DGASVKIPXDFRSK-UHFFFAOYSA-N 1 0 350.340 3.640 20 30 FHEDRO CC[C@H]1C[C@]1([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C)c1 ZINC000502520630 942496594 /nfs/dbraw/zinc/49/65/94/942496594.db2.gz IXXLMIKKYJJJEA-GHTZIAJQSA-N 1 0 368.502 3.555 20 30 FHEDRO N#Cc1ccc(NC2CC2)c(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000416224584 942501094 /nfs/dbraw/zinc/50/10/94/942501094.db2.gz JGIMNQDCBFJFGM-UHFFFAOYSA-N 1 0 360.461 3.519 20 30 FHEDRO CC(C)N(C(=O)CN1CC=C(c2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000502531415 942503689 /nfs/dbraw/zinc/50/36/89/942503689.db2.gz VGCNZIKTPZBZOL-UHFFFAOYSA-N 1 0 351.494 3.827 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000501519207 942521444 /nfs/dbraw/zinc/52/14/44/942521444.db2.gz AJJLAHPYJYBNFH-QZTJIDSGSA-N 1 0 356.514 3.743 20 30 FHEDRO COc1ccc(C#N)cc1C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502604023 942576539 /nfs/dbraw/zinc/57/65/39/942576539.db2.gz YLVFXBZWIWWMFT-HXUWFJFHSA-N 1 0 356.853 3.712 20 30 FHEDRO Cc1c(F)cccc1NC(=O)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541314949 942599520 /nfs/dbraw/zinc/59/95/20/942599520.db2.gz SINOUYVEPLYYFE-UHFFFAOYSA-N 1 0 351.425 3.999 20 30 FHEDRO COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2)c1 ZINC000181767359 942611281 /nfs/dbraw/zinc/61/12/81/942611281.db2.gz WMDCMSPVQSCQCQ-IEBWSBKVSA-N 1 0 365.477 3.917 20 30 FHEDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(C)c(C#N)c(C)c3)c2)CC1 ZINC001269787930 942687303 /nfs/dbraw/zinc/68/73/03/942687303.db2.gz REPURNXLTFVTEI-UHFFFAOYSA-N 1 0 362.477 3.569 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)ccc1OC ZINC000414537522 942696098 /nfs/dbraw/zinc/69/60/98/942696098.db2.gz ZIYRIMRPVUTMGD-SFHVURJKSA-N 1 0 359.441 3.655 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000414538180 942700143 /nfs/dbraw/zinc/70/01/43/942700143.db2.gz QIOBIKFBIOEDPY-KRWDZBQOSA-N 1 0 355.507 3.935 20 30 FHEDRO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)CC(C)C ZINC000514112882 942753665 /nfs/dbraw/zinc/75/36/65/942753665.db2.gz KWIYWYYZAASUCA-UHFFFAOYSA-N 1 0 366.509 3.941 20 30 FHEDRO C=CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn[nH]c1 ZINC001269810169 942764058 /nfs/dbraw/zinc/76/40/58/942764058.db2.gz SITSXOFKZXMYQT-PMACEKPBSA-N 1 0 358.530 3.892 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@H](c2cccs2)N2CCCC2)O1 ZINC000378447420 942778844 /nfs/dbraw/zinc/77/88/44/942778844.db2.gz AKAXSNDTDRTLLU-NNIGNNQHSA-N 1 0 359.539 3.714 20 30 FHEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)cc1OC ZINC000378459439 942793059 /nfs/dbraw/zinc/79/30/59/942793059.db2.gz ZSGMHZLONQLLSB-XCZFOBESSA-N 1 0 372.509 3.712 20 30 FHEDRO Cc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000514185650 942794457 /nfs/dbraw/zinc/79/44/57/942794457.db2.gz JIEGZARAXNGJDE-FQEVSTJZSA-N 1 0 353.510 3.687 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1C(F)(F)F ZINC000190182186 942855028 /nfs/dbraw/zinc/85/50/28/942855028.db2.gz ILXPWFRWJRWWSU-HNNXBMFYSA-N 1 0 353.388 3.797 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)s1 ZINC000378554274 942884674 /nfs/dbraw/zinc/88/46/74/942884674.db2.gz VZSKEHYMARMTIK-WFASDCNBSA-N 1 0 367.453 3.683 20 30 FHEDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000273119479 942895668 /nfs/dbraw/zinc/89/56/68/942895668.db2.gz ZDNOHQOIEJAQQW-QZTJIDSGSA-N 1 0 352.482 3.759 20 30 FHEDRO CN(CC#Cc1ccccc1Cl)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434741168 942933566 /nfs/dbraw/zinc/93/35/66/942933566.db2.gz BZYCBHVNXPAMDS-FPOVZHCZSA-N 1 0 353.897 3.711 20 30 FHEDRO COc1cc(C#N)ccc1CN(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000503063918 942945406 /nfs/dbraw/zinc/94/54/06/942945406.db2.gz OWJXCDVNMAVJBW-UHFFFAOYSA-N 1 0 351.450 3.914 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc2c(c1)CCCC2 ZINC000434861601 943013923 /nfs/dbraw/zinc/01/39/23/943013923.db2.gz ARUKIAGEQHMORQ-LIRRHRJNSA-N 1 0 365.502 3.955 20 30 FHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(OCC#N)cc3)ccc2NC1=O ZINC000271702655 943037494 /nfs/dbraw/zinc/03/74/94/943037494.db2.gz HVGICGBVNQKULK-IFXJQAMLSA-N 1 0 365.433 3.549 20 30 FHEDRO C[C@]1(CCc2ccccc2)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000434902161 943038487 /nfs/dbraw/zinc/03/84/87/943038487.db2.gz AXYLUFCCVVRVOZ-QHCPKHFHSA-N 1 0 361.489 3.519 20 30 FHEDRO C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000416699476 943050350 /nfs/dbraw/zinc/05/03/50/943050350.db2.gz XQKJEGVDWCIMJZ-RBUKOAKNSA-N 1 0 356.514 3.601 20 30 FHEDRO N#CC1(CCC[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000282144904 943051825 /nfs/dbraw/zinc/05/18/25/943051825.db2.gz ZVVFMMBKBPFOCG-UHFFFAOYSA-N 1 0 361.917 3.558 20 30 FHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1OC ZINC000628294269 943053771 /nfs/dbraw/zinc/05/37/71/943053771.db2.gz LGSNHOZTRITNJU-KRWDZBQOSA-N 1 0 351.874 3.793 20 30 FHEDRO CC(C)c1nnc2n1C[C@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC000271911585 943069330 /nfs/dbraw/zinc/06/93/30/943069330.db2.gz YBCQCXDRTUOHKD-GSVIPDFHSA-N 1 0 363.509 3.710 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000505583152 943081727 /nfs/dbraw/zinc/08/17/27/943081727.db2.gz ZLFUFZOGJSYEAX-FXAWDEMLSA-N 1 0 357.498 3.842 20 30 FHEDRO C=CCc1cc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)cc(OC)c1O ZINC000503287917 943105871 /nfs/dbraw/zinc/10/58/71/943105871.db2.gz FAVNYFUQENDZHJ-UHFFFAOYSA-N 1 0 356.466 3.991 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000435052218 943124819 /nfs/dbraw/zinc/12/48/19/943124819.db2.gz SRBLUQLUAHRNNM-NRFANRHFSA-N 1 0 361.489 3.789 20 30 FHEDRO N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425277550 943152597 /nfs/dbraw/zinc/15/25/97/943152597.db2.gz RBHHEUVELATHMN-DLBZAZTESA-N 1 0 372.394 3.683 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1ccc(Cl)s1)C(C)C ZINC000503403156 943163522 /nfs/dbraw/zinc/16/35/22/943163522.db2.gz CGSAKZLORHEAGM-OAHLLOKOSA-N 1 0 355.935 3.899 20 30 FHEDRO CC1(C#N)CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000272490517 943164431 /nfs/dbraw/zinc/16/44/31/943164431.db2.gz FJCSQFYNXBXSBA-UHFFFAOYSA-N 1 0 368.525 3.898 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000503419030 943174592 /nfs/dbraw/zinc/17/45/92/943174592.db2.gz CVKLAOWQSNVCAC-UHFFFAOYSA-N 1 0 373.545 3.569 20 30 FHEDRO CC1(C#N)CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000272596673 943183198 /nfs/dbraw/zinc/18/31/98/943183198.db2.gz RTPQAROFZLAKNZ-UHFFFAOYSA-N 1 0 368.525 3.898 20 30 FHEDRO C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1=CC[N@H+](C)CC1 ZINC000272639796 943191113 /nfs/dbraw/zinc/19/11/13/943191113.db2.gz CCAVTOLTKKLHMS-LSDHHAIUSA-N 1 0 358.511 3.853 20 30 FHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000435153504 943194311 /nfs/dbraw/zinc/19/43/11/943194311.db2.gz KFGFNWHJVGYYQU-CQSZACIVSA-N 1 0 354.429 3.948 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000435158355 943199058 /nfs/dbraw/zinc/19/90/58/943199058.db2.gz JTTMNHBQEWEFSY-KXBFYZLASA-N 1 0 366.440 3.729 20 30 FHEDRO C=C(C)[C@@H](CC(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@@H+]1CC)OCC ZINC000503497310 943219833 /nfs/dbraw/zinc/21/98/33/943219833.db2.gz PXXJUCLRXXHAOE-PZJWPPBQSA-N 1 0 374.525 3.576 20 30 FHEDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000272878697 943237126 /nfs/dbraw/zinc/23/71/26/943237126.db2.gz VAXOLEZAXHGWAH-FQEVSTJZSA-N 1 0 352.434 3.762 20 30 FHEDRO Cc1csc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1C#N ZINC000514735861 943249950 /nfs/dbraw/zinc/24/99/50/943249950.db2.gz HJMCTVGRBSYVHV-UHFFFAOYSA-N 1 0 360.458 3.663 20 30 FHEDRO Cc1ccc2nc(C[NH2+]C3CCC(Oc4ccccc4C#N)CC3)cn2c1 ZINC000514744251 943255745 /nfs/dbraw/zinc/25/57/45/943255745.db2.gz QWLWIYBJDPMTAX-UHFFFAOYSA-N 1 0 360.461 3.994 20 30 FHEDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001167740387 943261813 /nfs/dbraw/zinc/26/18/13/943261813.db2.gz KZEYZPUFUSLSKS-HZPDHXFCSA-N 1 0 354.454 3.755 20 30 FHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3-c3ccccc3C#N)C2)C1 ZINC000505671148 943350554 /nfs/dbraw/zinc/35/05/54/943350554.db2.gz VEMJMQBCNIBNCD-HSZRJFAPSA-N 1 0 359.473 3.783 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435357414 943354070 /nfs/dbraw/zinc/35/40/70/943354070.db2.gz LDKXXGOPELGIBZ-AVRDEDQJSA-N 1 0 373.500 3.617 20 30 FHEDRO Cc1cc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)c(C#N)cc1N(C)C ZINC000417125723 943361551 /nfs/dbraw/zinc/36/15/51/943361551.db2.gz BTOUJFJFXZQETE-UHFFFAOYSA-N 1 0 359.518 3.515 20 30 FHEDRO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000503876237 943394092 /nfs/dbraw/zinc/39/40/92/943394092.db2.gz RZNQWAAFXOBNEN-OAQYLSRUSA-N 1 0 363.505 3.829 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc(OC)c1O ZINC000425374541 943394802 /nfs/dbraw/zinc/39/48/02/943394802.db2.gz SFOVUCFIPUCJLZ-OAQYLSRUSA-N 1 0 357.494 3.910 20 30 FHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1CCC(C#N)CC1)[NH+](C)C ZINC000503919573 943408051 /nfs/dbraw/zinc/40/80/51/943408051.db2.gz GVGRNKUVENZGMV-NNZWXOEDSA-N 1 0 356.514 3.615 20 30 FHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431927599 943410618 /nfs/dbraw/zinc/41/06/18/943410618.db2.gz ZCAPMTJNTJWTQQ-RTBURBONSA-N 1 0 356.514 3.841 20 30 FHEDRO C=CC[C@@H](C)C(=O)N1CCC[C@]2(CCC[N@H+](Cc3scnc3C)C2)C1 ZINC001269961533 943415235 /nfs/dbraw/zinc/41/52/35/943415235.db2.gz ZHYRRXBLXKZVBU-UZLBHIALSA-N 1 0 361.555 3.868 20 30 FHEDRO C[NH+](C)Cc1ccsc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000503961727 943439931 /nfs/dbraw/zinc/43/99/31/943439931.db2.gz NOICKPDUFJXJNJ-UHFFFAOYSA-N 1 0 351.475 3.611 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000503989232 943444563 /nfs/dbraw/zinc/44/45/63/943444563.db2.gz IBKNNQGRZLQUAL-FGZHOGPDSA-N 1 0 359.473 3.835 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)cc1C#N ZINC000435535954 943472642 /nfs/dbraw/zinc/47/26/42/943472642.db2.gz IECQRZCITZTECV-UHFFFAOYSA-N 1 0 372.513 3.979 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000435536702 943473375 /nfs/dbraw/zinc/47/33/75/943473375.db2.gz LOLYOBXJKWQDKD-KRWDZBQOSA-N 1 0 372.513 3.979 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H](N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)CC2 ZINC000423381371 943496301 /nfs/dbraw/zinc/49/63/01/943496301.db2.gz ZNVFYIFHSQPZLM-DQLDELGASA-N 1 0 353.416 3.559 20 30 FHEDRO CC(C)[C@@H]1[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CCOCC2 ZINC000584769021 943571718 /nfs/dbraw/zinc/57/17/18/943571718.db2.gz YFHZSZKCJFFXDW-NRFANRHFSA-N 1 0 364.493 3.596 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000435725645 943582177 /nfs/dbraw/zinc/58/21/77/943582177.db2.gz HUXIBFRBIPBNOX-YVEFUNNKSA-N 1 0 367.280 3.645 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000435748026 943582830 /nfs/dbraw/zinc/58/28/30/943582830.db2.gz MGCUDLZEROVWKR-PXAZEXFGSA-N 1 0 370.287 3.537 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000435749763 943584160 /nfs/dbraw/zinc/58/41/60/943584160.db2.gz VNJHFIQRRDHYDG-KBXCAEBGSA-N 1 0 364.283 3.796 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000435738760 943590039 /nfs/dbraw/zinc/59/00/39/943590039.db2.gz UHBCWBQMKUVSBJ-SJKOYZFVSA-N 1 0 353.388 3.663 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000504339690 943592036 /nfs/dbraw/zinc/59/20/36/943592036.db2.gz WEJVSLHKPZMJKP-VXKWHMMOSA-N 1 0 359.473 3.835 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000435745548 943594060 /nfs/dbraw/zinc/59/40/60/943594060.db2.gz NTBDDMTUMOVSKQ-MOPGFXCFSA-N 1 0 372.509 3.531 20 30 FHEDRO Cc1c(F)c(F)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000417546383 943686990 /nfs/dbraw/zinc/68/69/90/943686990.db2.gz ZGZLBZZFTUAYMJ-UHFFFAOYSA-N 1 0 372.419 3.741 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000424111050 943736248 /nfs/dbraw/zinc/73/62/48/943736248.db2.gz FLJGSSRNKJIGAK-HNNXBMFYSA-N 1 0 372.469 3.710 20 30 FHEDRO CC(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424110975 943737135 /nfs/dbraw/zinc/73/71/35/943737135.db2.gz DZIDCVHNEWFSAM-JKSUJKDBSA-N 1 0 355.404 3.930 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000424113224 943737695 /nfs/dbraw/zinc/73/76/95/943737695.db2.gz MNJPUPHLXSBBSN-OALUTQOASA-N 1 0 361.917 3.969 20 30 FHEDRO COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424117037 943740371 /nfs/dbraw/zinc/74/03/71/943740371.db2.gz CFGQZQLJZWXYAD-KXBFYZLASA-N 1 0 351.450 3.561 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417599477 943750995 /nfs/dbraw/zinc/75/09/95/943750995.db2.gz PCDTVDRIKCWIMP-LJQANCHMSA-N 1 0 353.466 3.531 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000424183901 943764997 /nfs/dbraw/zinc/76/49/97/943764997.db2.gz CVKPDUBLEIVITC-CQSZACIVSA-N 1 0 373.806 3.528 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000515293093 943777581 /nfs/dbraw/zinc/77/75/81/943777581.db2.gz GBFUVDZMVMWRNP-UGSOOPFHSA-N 1 0 363.914 3.758 20 30 FHEDRO CC(C)N1CC[C@@H](Nc2cc(C#N)ncn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000515298305 943782846 /nfs/dbraw/zinc/78/28/46/943782846.db2.gz JAEQHOZOUSUSRU-AEFFLSMTSA-N 1 0 359.836 3.777 20 30 FHEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)nn1 ZINC000424290963 943822438 /nfs/dbraw/zinc/82/24/38/943822438.db2.gz CWRBVIFBRBEIFJ-SJORKVTESA-N 1 0 350.388 3.909 20 30 FHEDRO C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424320225 943842939 /nfs/dbraw/zinc/84/29/39/943842939.db2.gz FVFVYQCYOJMYHI-DUVNUKRYSA-N 1 0 368.262 3.894 20 30 FHEDRO C=CCOc1ccc(/C=C\c2nc(C3([NH3+])CCCCC3)no2)cc1OC ZINC000424335510 943849302 /nfs/dbraw/zinc/84/93/02/943849302.db2.gz HSLKALBRAQSLKD-NTMALXAHSA-N 1 0 355.438 3.932 20 30 FHEDRO C[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000458850488 943931526 /nfs/dbraw/zinc/93/15/26/943931526.db2.gz UPVCGIZDEHOBPW-RXVVDRJESA-N 1 0 368.525 3.937 20 30 FHEDRO C=CCN(CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000515528740 943964365 /nfs/dbraw/zinc/96/43/65/943964365.db2.gz UKXWDHFYBXIBDM-SFHVURJKSA-N 1 0 352.478 3.903 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000417943831 943987633 /nfs/dbraw/zinc/98/76/33/943987633.db2.gz VKBDKFNIJBFQNF-CZUORRHYSA-N 1 0 355.404 3.716 20 30 FHEDRO C=CCC[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000417944923 943988438 /nfs/dbraw/zinc/98/84/38/943988438.db2.gz WZRDJMMMMYAXJO-UXLLHSPISA-N 1 0 367.415 3.574 20 30 FHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C#N)oc2C)CC1 ZINC000436075928 944010695 /nfs/dbraw/zinc/01/06/95/944010695.db2.gz IESYNSNVKILILR-UHFFFAOYSA-N 1 0 372.856 3.507 20 30 FHEDRO C=C(C)C(C)(C)C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000424648006 944031351 /nfs/dbraw/zinc/03/13/51/944031351.db2.gz RBGKNKDZMWZERG-UHFFFAOYSA-N 1 0 373.541 3.732 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000417980119 944034206 /nfs/dbraw/zinc/03/42/06/944034206.db2.gz IECWMRHMMMMQAD-FQEVSTJZSA-N 1 0 362.477 3.557 20 30 FHEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000517190365 944087800 /nfs/dbraw/zinc/08/78/00/944087800.db2.gz NGYJQMSSXHKUCF-GXZWQRSESA-N 1 0 355.482 3.602 20 30 FHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425489598 944108526 /nfs/dbraw/zinc/10/85/26/944108526.db2.gz NZOIWUSWMBBIJV-MSOLQXFVSA-N 1 0 364.493 3.781 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCCCC[NH3+])cc1Cl ZINC000414914154 944134102 /nfs/dbraw/zinc/13/41/02/944134102.db2.gz XDBBKCVADHPFHI-QGZVFWFLSA-N 1 0 356.857 3.856 20 30 FHEDRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414915266 944172247 /nfs/dbraw/zinc/17/22/47/944172247.db2.gz YUQQNBUKBRULSW-CXAGYDPISA-N 1 0 356.857 3.806 20 30 FHEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000436276365 944173307 /nfs/dbraw/zinc/17/33/07/944173307.db2.gz SQIAVUZIVUZYJM-WOJBJXKFSA-N 1 0 357.498 3.850 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000436303411 944187097 /nfs/dbraw/zinc/18/70/97/944187097.db2.gz BNDWUWHYWFNOPJ-VPWXQRGCSA-N 1 0 364.917 3.648 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1I ZINC000436307126 944190434 /nfs/dbraw/zinc/19/04/34/944190434.db2.gz JYRPRNSXHCPXGB-WWGRRREGSA-N 1 0 371.262 3.923 20 30 FHEDRO C[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)[C@H]1C(=O)OC(C)(C)C ZINC000425515388 944196799 /nfs/dbraw/zinc/19/67/99/944196799.db2.gz SNBQXQZWJSBJEC-DLBZAZTESA-N 1 0 350.503 3.529 20 30 FHEDRO C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000418150064 944211467 /nfs/dbraw/zinc/21/14/67/944211467.db2.gz VUMKDHHBWOEGKD-VFNWGFHPSA-N 1 0 368.502 3.732 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000515805576 944222469 /nfs/dbraw/zinc/22/24/69/944222469.db2.gz KNDSXGQIRCJZRY-RTBURBONSA-N 1 0 373.541 3.761 20 30 FHEDRO C=CCOc1ccccc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000506459846 944243359 /nfs/dbraw/zinc/24/33/59/944243359.db2.gz KROITJFCIMJULA-UHFFFAOYSA-N 1 0 356.510 3.866 20 30 FHEDRO Cc1ccc(CN(C(=O)CN(C)[C@H](C)c2cccc(C#N)c2)C2CC2)o1 ZINC000425531434 944255048 /nfs/dbraw/zinc/25/50/48/944255048.db2.gz HKOOQXRMNFCWOP-MRXNPFEDSA-N 1 0 351.450 3.644 20 30 FHEDRO CCOc1ccccc1NC(=O)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529034 944265340 /nfs/dbraw/zinc/26/53/40/944265340.db2.gz AJZGCYORLKXAQZ-INIZCTEOSA-N 1 0 351.450 3.979 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000660361538 944292864 /nfs/dbraw/zinc/29/28/64/944292864.db2.gz SYGNPHDKXCQSCR-KRWDZBQOSA-N 1 0 359.489 3.788 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000364312321 944296045 /nfs/dbraw/zinc/29/60/45/944296045.db2.gz XFEUOLGYFSXDDS-IEZWGBDMSA-N 1 0 351.874 3.807 20 30 FHEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000518341205 944298800 /nfs/dbraw/zinc/29/88/00/944298800.db2.gz FQTSBGNJKYIRQJ-QGZVFWFLSA-N 1 0 360.889 3.648 20 30 FHEDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540868 944299248 /nfs/dbraw/zinc/29/92/48/944299248.db2.gz VSVJEWWYYKNLIO-HNNXBMFYSA-N 1 0 366.421 3.797 20 30 FHEDRO C=CC1CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000506477232 944320880 /nfs/dbraw/zinc/32/08/80/944320880.db2.gz AMHDZOJRWKNFJS-INIZCTEOSA-N 1 0 354.372 3.589 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CC1 ZINC000518387285 944342834 /nfs/dbraw/zinc/34/28/34/944342834.db2.gz DKRPVBWCAKLGMB-NRFANRHFSA-N 1 0 363.461 3.615 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CC1 ZINC000518387286 944343097 /nfs/dbraw/zinc/34/30/97/944343097.db2.gz DKRPVBWCAKLGMB-OAQYLSRUSA-N 1 0 363.461 3.615 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](C)[N@H+]1C ZINC000436503602 944374315 /nfs/dbraw/zinc/37/43/15/944374315.db2.gz MWOUABVMDXZXJK-IYBDPMFKSA-N 1 0 364.449 3.907 20 30 FHEDRO C=CCc1cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000506495360 944376889 /nfs/dbraw/zinc/37/68/89/944376889.db2.gz LFZSKHDUXFQUMF-OAQYLSRUSA-N 1 0 366.505 3.836 20 30 FHEDRO CC[C@@H](NCc1cccc(OCCCC#N)c1)c1nnc2n1CCCCC2 ZINC000517551624 944384930 /nfs/dbraw/zinc/38/49/30/944384930.db2.gz RSQTWWMGXGDAPY-LJQANCHMSA-N 1 0 367.497 3.928 20 30 FHEDRO CCNC(=O)[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)C(C)C ZINC000550194412 944392591 /nfs/dbraw/zinc/39/25/91/944392591.db2.gz RNDKUBYGRFODST-NRFANRHFSA-N 1 0 363.505 3.637 20 30 FHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000614516493 944393830 /nfs/dbraw/zinc/39/38/30/944393830.db2.gz VMZSVUDXAAZLCK-GOSISDBHSA-N 1 0 360.417 3.616 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CC(=O)N2CCCc3ccccc32)cc1Cl ZINC000517549885 944397022 /nfs/dbraw/zinc/39/70/22/944397022.db2.gz YWCGFJNNRSNKKZ-UHFFFAOYSA-N 1 0 370.880 3.974 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000517581871 944415673 /nfs/dbraw/zinc/41/56/73/944415673.db2.gz QCCLGKYXHQZFBE-UHFFFAOYSA-N 1 0 362.813 3.982 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000049795289 944437323 /nfs/dbraw/zinc/43/73/23/944437323.db2.gz PBABJMLEYYDMLE-SFHVURJKSA-N 1 0 357.523 3.619 20 30 FHEDRO [NH2+]=C(NCc1ccc(N2CCCCC2=O)cc1)Nc1ccc2c(c1)CCC2 ZINC000261982132 944449371 /nfs/dbraw/zinc/44/93/71/944449371.db2.gz IGXDYEJRFJBJFG-UHFFFAOYSA-N 1 0 362.477 3.619 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000516038643 944449792 /nfs/dbraw/zinc/44/97/92/944449792.db2.gz WCVBRPXBGURLHX-FGZHOGPDSA-N 1 0 350.462 3.625 20 30 FHEDRO C=CCCC(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000439293844 944512674 /nfs/dbraw/zinc/51/26/74/944512674.db2.gz FARKAMCHWQMCCH-UHFFFAOYSA-N 1 0 368.319 3.731 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3ccccc3n2CC(F)(F)F)CC1 ZINC000426351235 944530787 /nfs/dbraw/zinc/53/07/87/944530787.db2.gz KBTFRWXFUISRJB-UHFFFAOYSA-N 1 0 365.399 3.584 20 30 FHEDRO COc1ccc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)cc1OCCCC#N ZINC000438360266 944532541 /nfs/dbraw/zinc/53/25/41/944532541.db2.gz SBDWRRPHDNYIKU-NRFANRHFSA-N 1 0 360.498 3.799 20 30 FHEDRO CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000516160494 944545866 /nfs/dbraw/zinc/54/58/66/944545866.db2.gz SQCFBEQTFWLIPL-UZLBHIALSA-N 1 0 371.550 3.685 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1c2c(nn1C(C)C)CCC2)C(C)C ZINC000473812190 944554396 /nfs/dbraw/zinc/55/43/96/944554396.db2.gz YRBGSUALZQPWMH-IBGZPJMESA-N 1 0 373.545 3.773 20 30 FHEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000184306647 944563031 /nfs/dbraw/zinc/56/30/31/944563031.db2.gz RQDWOFQMGMORPM-UHFFFAOYSA-N 1 0 364.449 3.908 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C(C)(C)COCC)cc1OC ZINC000550255456 944570184 /nfs/dbraw/zinc/57/01/84/944570184.db2.gz VFYSCUZMWNLBBO-UHFFFAOYSA-N 1 0 372.303 3.927 20 30 FHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC000517749151 944575970 /nfs/dbraw/zinc/57/59/70/944575970.db2.gz BODLRUAKJKXMMO-OAQYLSRUSA-N 1 0 361.489 3.938 20 30 FHEDRO CC[NH+](CC)CC1CCN(c2cccc(Br)c2C#N)CC1 ZINC000516221282 944583607 /nfs/dbraw/zinc/58/36/07/944583607.db2.gz BUOJDQFKDWBJJC-UHFFFAOYSA-N 1 0 350.304 3.879 20 30 FHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3Cl)C2)nc1 ZINC000439431839 944607645 /nfs/dbraw/zinc/60/76/45/944607645.db2.gz RUWALLQJWJUQRR-KRWDZBQOSA-N 1 0 368.868 3.766 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418461809 944632446 /nfs/dbraw/zinc/63/24/46/944632446.db2.gz MNDXWCMBASONMM-MRXNPFEDSA-N 1 0 353.466 3.613 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000517800618 944640053 /nfs/dbraw/zinc/64/00/53/944640053.db2.gz QFMZOZKWPUKODE-REWPJTCUSA-N 1 0 373.500 3.964 20 30 FHEDRO COCc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000438483648 944664256 /nfs/dbraw/zinc/66/42/56/944664256.db2.gz FAAYBNFEQSLFFJ-UHFFFAOYSA-N 1 0 351.450 3.579 20 30 FHEDRO CCCCCCCC(=O)N[C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001270134786 944710086 /nfs/dbraw/zinc/71/00/86/944710086.db2.gz TYUXFLDNKUGFEP-RTWAWAEBSA-N 1 0 360.546 3.795 20 30 FHEDRO Cn1cc([C@@H]([NH2+]CCCSCC#N)c2ccc(F)c(Cl)c2)cn1 ZINC000364440357 944713456 /nfs/dbraw/zinc/71/34/56/944713456.db2.gz HSIPUWTZCGEYRD-INIZCTEOSA-N 1 0 352.866 3.538 20 30 FHEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(I)cc2Cl)C1 ZINC000500394109 944739523 /nfs/dbraw/zinc/73/95/23/944739523.db2.gz LDIVCQIUDQOEGM-CABZTGNLSA-N 1 0 360.626 3.726 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000415001054 944741236 /nfs/dbraw/zinc/74/12/36/944741236.db2.gz BZSSNGJAHAZIDC-MRXNPFEDSA-N 1 0 364.449 3.943 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000425647034 944774103 /nfs/dbraw/zinc/77/41/03/944774103.db2.gz RYJHXZMVKRJZCS-DAYGRLMNSA-N 1 0 362.905 3.714 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N(CC)[C@H]1CC[N@H+](CC)C1)c1ccc(F)c(F)c1 ZINC000664701997 944777485 /nfs/dbraw/zinc/77/74/85/944777485.db2.gz LFXMJOLKHNAFRG-MAUKXSAKSA-N 1 0 351.441 3.708 20 30 FHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000584586915 944793841 /nfs/dbraw/zinc/79/38/41/944793841.db2.gz OUNRVVHIDYWBLQ-INIZCTEOSA-N 1 0 361.493 3.865 20 30 FHEDRO N#Cc1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1C(F)(F)F ZINC000438635046 944868048 /nfs/dbraw/zinc/86/80/48/944868048.db2.gz JYHOSBSHLFFORL-UHFFFAOYSA-N 1 0 354.376 3.575 20 30 FHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC000438641519 944876915 /nfs/dbraw/zinc/87/69/15/944876915.db2.gz MIGNHHYQDJCFQA-CHWSQXEVSA-N 1 0 368.403 3.961 20 30 FHEDRO C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)[NH+]1CCCCCC1 ZINC000505917551 944887825 /nfs/dbraw/zinc/88/78/25/944887825.db2.gz RPVCFXUEHDUEMC-CZUORRHYSA-N 1 0 353.388 3.651 20 30 FHEDRO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]CCOCCC#N)c1ccccc1 ZINC000293710302 944890425 /nfs/dbraw/zinc/89/04/25/944890425.db2.gz XTEYTDJPZJLNBI-GOSISDBHSA-N 1 0 361.486 3.552 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000517984052 944907187 /nfs/dbraw/zinc/90/71/87/944907187.db2.gz SZBHBTSWHAELRS-UHFFFAOYSA-N 1 0 366.509 3.766 20 30 FHEDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000518040582 944965960 /nfs/dbraw/zinc/96/59/60/944965960.db2.gz KDWJDLNAYSPYIR-UHFFFAOYSA-N 1 0 355.413 3.561 20 30 FHEDRO C=CCC[C@@H](C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000426997410 944986605 /nfs/dbraw/zinc/98/66/05/944986605.db2.gz KIZQCIPNYFXDQY-HXUWFJFHSA-N 1 0 358.526 3.742 20 30 FHEDRO CC(C)C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)[NH2+][C@H](C)c1ccccc1 ZINC000425708326 944991268 /nfs/dbraw/zinc/99/12/68/944991268.db2.gz ZMTZQBLCXBOWGX-BWPNAZKDSA-N 1 0 356.514 3.743 20 30 FHEDRO Cc1cc(C#N)cc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000516544825 944991375 /nfs/dbraw/zinc/99/13/75/944991375.db2.gz JQOWRHSQSYZYFJ-HSZRJFAPSA-N 1 0 374.488 3.997 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000426137294 944994380 /nfs/dbraw/zinc/99/43/80/944994380.db2.gz GAABEAWEUQPFJR-UHFFFAOYSA-N 1 0 368.868 3.951 20 30 FHEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437089395 945008094 /nfs/dbraw/zinc/00/80/94/945008094.db2.gz UMOWGFXUVMPNHY-WZOJCFFYSA-N 1 0 357.498 3.827 20 30 FHEDRO C=C(Cc1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(F)(F)F ZINC001270171354 945024110 /nfs/dbraw/zinc/02/41/10/945024110.db2.gz HOFHGAYCYWLUTQ-HDICACEKSA-N 1 0 366.427 3.803 20 30 FHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000437108854 945030958 /nfs/dbraw/zinc/03/09/58/945030958.db2.gz VLMIALCTZGKLCV-ZCGYKAAXSA-N 1 0 366.421 3.902 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000660495370 945033432 /nfs/dbraw/zinc/03/34/32/945033432.db2.gz JERVWPOASITPHZ-NJYVYQBISA-N 1 0 353.510 3.791 20 30 FHEDRO C[C@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000516586417 945037946 /nfs/dbraw/zinc/03/79/46/945037946.db2.gz XLGWNFGHNOQSGD-KRWDZBQOSA-N 1 0 360.465 3.733 20 30 FHEDRO N#Cc1cccc(OCCC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000511762720 945039482 /nfs/dbraw/zinc/03/94/82/945039482.db2.gz NVOYHUDVWGQOEN-XPWALMASSA-N 1 0 362.473 3.832 20 30 FHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(C)cc1 ZINC000181697901 945371150 /nfs/dbraw/zinc/37/11/50/945371150.db2.gz KGOTVKXQWRKFGC-FQEVSTJZSA-N 1 0 373.460 3.732 20 30 FHEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000330162619 945382373 /nfs/dbraw/zinc/38/23/73/945382373.db2.gz SJGJUZWSKWEZRX-SJLPKXTDSA-N 1 0 362.470 3.619 20 30 FHEDRO CC[C@H](NC(=O)CN1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccc(Cl)cc1 ZINC000330164398 945383375 /nfs/dbraw/zinc/38/33/75/945383375.db2.gz VYHHCAFQBMQHSB-FNHZYXHNSA-N 1 0 366.889 3.627 20 30 FHEDRO C[C@@H]1CN(C(C)(C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000507652549 945404991 /nfs/dbraw/zinc/40/49/91/945404991.db2.gz ISLFXJCRNARTSB-SNIUIWFXSA-N 1 0 369.553 3.868 20 30 FHEDRO Cc1ccccc1NCCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330226956 945413041 /nfs/dbraw/zinc/41/30/41/945413041.db2.gz OZUHTCGPCSXNLI-WOJBJXKFSA-N 1 0 359.514 3.521 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)c(C)sc2Br)CC1 ZINC000507644829 945414456 /nfs/dbraw/zinc/41/44/56/945414456.db2.gz PHQRWDZFGDIAKB-UHFFFAOYSA-N 1 0 371.344 3.898 20 30 FHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000330269724 945434909 /nfs/dbraw/zinc/43/49/09/945434909.db2.gz SGJMQYDSTSCJKI-FZKCQIBNSA-N 1 0 372.513 3.784 20 30 FHEDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)c(Br)c1 ZINC000330273602 945439124 /nfs/dbraw/zinc/43/91/24/945439124.db2.gz ZLIINNDGHKPWDX-IUIKQTSFSA-N 1 0 367.287 3.891 20 30 FHEDRO N#CCc1ccc(C(F)(F)F)cc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167986873 945442676 /nfs/dbraw/zinc/44/26/76/945442676.db2.gz HLHZEXYDOLVRTJ-UHFFFAOYSA-N 1 0 359.351 3.922 20 30 FHEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415012587 945476753 /nfs/dbraw/zinc/47/67/53/945476753.db2.gz STPDKVVHIJBDFL-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000519493509 945487871 /nfs/dbraw/zinc/48/78/71/945487871.db2.gz AZIWBQAYHMQNFQ-RLLQIKCJSA-N 1 0 356.514 3.588 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CC[C@@H](CO)CC3)c2)c1 ZINC000151383557 945492166 /nfs/dbraw/zinc/49/21/66/945492166.db2.gz ARPSRTXQMPQDEZ-CYWCHRQTSA-N 1 0 350.462 3.778 20 30 FHEDRO Cc1nsc(NC(=O)[C@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1C#N ZINC000333807583 945492348 /nfs/dbraw/zinc/49/23/48/945492348.db2.gz FSQADDHIPNFSJP-UZLBHIALSA-N 1 0 366.490 3.564 20 30 FHEDRO C[NH+]=C(NCC1(c2cccs2)CCCCC1)N1CC[C@]2(CCOC2)C1 ZINC000262014092 945498010 /nfs/dbraw/zinc/49/80/10/945498010.db2.gz XIMQROFUJYPKFA-IBGZPJMESA-N 1 0 361.555 3.638 20 30 FHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000330309825 945510929 /nfs/dbraw/zinc/51/09/29/945510929.db2.gz MZGRADCMHFTVPF-SKDRFNHKSA-N 1 0 350.875 3.579 20 30 FHEDRO N#Cc1ccccc1C(=O)N1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001270802754 945543748 /nfs/dbraw/zinc/54/37/48/945543748.db2.gz CKWTWPGQAGZKMD-QFIPXVFZSA-N 1 0 351.494 3.819 20 30 FHEDRO C[C@@H]1C[NH+](Cc2ccccc2NCCCC2(C#N)CCOCC2)C[C@@H](C)O1 ZINC000281191171 945549901 /nfs/dbraw/zinc/54/99/01/945549901.db2.gz MOIQMYAHWANPTA-RTBURBONSA-N 1 0 371.525 3.808 20 30 FHEDRO C[C@H](C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)[NH+]1CCCCCC1 ZINC000330329691 945568907 /nfs/dbraw/zinc/56/89/07/945568907.db2.gz MTXWCGYPCJTUDE-ZIAGYGMSSA-N 1 0 372.435 3.685 20 30 FHEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Br)cn1 ZINC000281294731 945589988 /nfs/dbraw/zinc/58/99/88/945589988.db2.gz JNDXFJUHRZNAMT-ZDUSSCGKSA-N 1 0 352.276 3.595 20 30 FHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(C#N)cc1C ZINC000164197669 945613287 /nfs/dbraw/zinc/61/32/87/945613287.db2.gz ZTDCKCCFWGZLHJ-UHFFFAOYSA-N 1 0 365.502 3.976 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(C)c(NC(C)=O)c1)C(C)C ZINC000048362785 945625187 /nfs/dbraw/zinc/62/51/87/945625187.db2.gz IOONPRXZUPXPDO-HXUWFJFHSA-N 1 0 372.513 3.774 20 30 FHEDRO Cc1nsc(N2CCN(c3c(C)c[nH+]c4c(C)cccc43)CC2)c1C#N ZINC000519676957 945628172 /nfs/dbraw/zinc/62/81/72/945628172.db2.gz PLZXHDWLNYUXRC-UHFFFAOYSA-N 1 0 363.490 3.815 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000550048148 945631946 /nfs/dbraw/zinc/63/19/46/945631946.db2.gz CHXJNRXWIZGCGT-DOTOQJQBSA-N 1 0 357.523 3.999 20 30 FHEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281509849 945658899 /nfs/dbraw/zinc/65/88/99/945658899.db2.gz YRWIWXQOOXLRAU-TZIWHRDSSA-N 1 0 355.526 3.587 20 30 FHEDRO COc1ccc2c(c1)[C@H](C(=O)N[C@@H](C)C1([NH+]3CCOCC3)CCCC1)CC2 ZINC000330362877 945684672 /nfs/dbraw/zinc/68/46/72/945684672.db2.gz ZZRNUFZIQPXNPZ-QFBILLFUSA-N 1 0 372.509 3.715 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000557724931 945696518 /nfs/dbraw/zinc/69/65/18/945696518.db2.gz AZOBPENHJDILHJ-QGZVFWFLSA-N 1 0 356.267 3.689 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]2CCC[C@@H]21 ZINC000550071355 945709751 /nfs/dbraw/zinc/70/97/51/945709751.db2.gz YNYIFGOFZCNPKI-JKSUJKDBSA-N 1 0 357.523 3.948 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000661114967 945737518 /nfs/dbraw/zinc/73/75/18/945737518.db2.gz NKDKQHXXXYHMEN-KGLIPLIRSA-N 1 0 360.483 3.770 20 30 FHEDRO CCCOc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000044566585 945751307 /nfs/dbraw/zinc/75/13/07/945751307.db2.gz PTTDTJWODCUTQO-UHFFFAOYSA-N 1 0 365.477 3.551 20 30 FHEDRO C=CCC1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCCC1 ZINC000593347122 945808196 /nfs/dbraw/zinc/80/81/96/945808196.db2.gz DPWJZLXJPVBWSI-UHFFFAOYSA-N 1 0 351.494 3.775 20 30 FHEDRO C[C@]1(c2ccccc2)C[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000519864753 945836889 /nfs/dbraw/zinc/83/68/89/945836889.db2.gz DBJGJGFVOVKTFU-FYYLOGMGSA-N 1 0 373.500 3.639 20 30 FHEDRO C[NH+]=C(NCc1ccc(Br)s1)NCc1sccc1C ZINC000262385763 945862683 /nfs/dbraw/zinc/86/26/83/945862683.db2.gz LFUYYZKJSFZKGE-UHFFFAOYSA-N 1 0 358.330 3.746 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000188092690 945955434 /nfs/dbraw/zinc/95/54/34/945955434.db2.gz HANRXTNHYYBORR-CQSZACIVSA-N 1 0 369.431 3.759 20 30 FHEDRO Cc1ccc([C@@H]2CSCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000444163686 946007100 /nfs/dbraw/zinc/00/71/00/946007100.db2.gz YREPCBHVWOKNRW-FQEVSTJZSA-N 1 0 365.502 3.985 20 30 FHEDRO CCC[N@H+](CCOc1ccccc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729483863 946054004 /nfs/dbraw/zinc/05/40/04/946054004.db2.gz NIKIEPXLPJIFQO-GOSISDBHSA-N 1 0 373.497 3.658 20 30 FHEDRO C[C@H](NC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(Cl)cc1Cl ZINC000262507251 946075003 /nfs/dbraw/zinc/07/50/03/946075003.db2.gz BQPJFECWTIRZOV-GGZSPTBLSA-N 1 0 356.297 3.772 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000151878402 946188170 /nfs/dbraw/zinc/18/81/70/946188170.db2.gz BWXRXXALICSAEL-CQSZACIVSA-N 1 0 369.415 3.792 20 30 FHEDRO Cc1ccccc1CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000520170074 946220568 /nfs/dbraw/zinc/22/05/68/946220568.db2.gz YPIAFLASPGVTFO-QHCPKHFHSA-N 1 0 361.489 3.806 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000520197358 946273096 /nfs/dbraw/zinc/27/30/96/946273096.db2.gz KJWIZWOYIUOSLF-KRWDZBQOSA-N 1 0 364.449 3.862 20 30 FHEDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000475462483 946274044 /nfs/dbraw/zinc/27/40/44/946274044.db2.gz DMCBUZXLAXSNOK-UHFFFAOYSA-N 1 0 351.450 3.680 20 30 FHEDRO [NH2+]=C(NCc1ccccc1OC(F)(F)F)N[C@@H]1CCOc2ccccc21 ZINC000262510304 946303182 /nfs/dbraw/zinc/30/31/82/946303182.db2.gz MAHXVZDUFSTHHS-CQSZACIVSA-N 1 0 365.355 3.513 20 30 FHEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000520293474 946371690 /nfs/dbraw/zinc/37/16/90/946371690.db2.gz BJTCSAABTMRLAH-HNNXBMFYSA-N 1 0 351.450 3.636 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000475106907 946411625 /nfs/dbraw/zinc/41/16/25/946411625.db2.gz JQUKYCUSTXLDNF-CALCHBBNSA-N 1 0 355.526 3.974 20 30 FHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475111801 946423105 /nfs/dbraw/zinc/42/31/05/946423105.db2.gz VNWNSWGFSGAUSF-UHFFFAOYSA-N 1 0 367.468 3.831 20 30 FHEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)N[C@H]1CCOc2ccccc21 ZINC000262514463 946436512 /nfs/dbraw/zinc/43/65/12/946436512.db2.gz FOKYNNXDCCTXTC-UHOFOFEASA-N 1 0 359.832 3.763 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1OC ZINC000441359771 946481878 /nfs/dbraw/zinc/48/18/78/946481878.db2.gz RGQUKIJZVGBIIP-JOCHJYFZSA-N 1 0 353.462 3.574 20 30 FHEDRO C=CCc1cc(C[N@@H+](C)[C@H](COC)Cc2ccccc2)cc(OC)c1O ZINC000475141943 946487391 /nfs/dbraw/zinc/48/73/91/946487391.db2.gz XHJVNQNXFWIOSN-FQEVSTJZSA-N 1 0 355.478 3.819 20 30 FHEDRO COc1cc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)ccn1 ZINC000066905240 946488074 /nfs/dbraw/zinc/48/80/74/946488074.db2.gz BMCHXPATDZKGDR-UHFFFAOYSA-N 1 0 359.429 3.831 20 30 FHEDRO N#Cc1cc(F)ccc1CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000303125897 946492707 /nfs/dbraw/zinc/49/27/07/946492707.db2.gz AFLVMVBIIAPJHA-UHFFFAOYSA-N 1 0 366.440 3.520 20 30 FHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441349630 946501925 /nfs/dbraw/zinc/50/19/25/946501925.db2.gz PLRBUMOBZDNHBX-KKSFZXQISA-N 1 0 362.477 3.788 20 30 FHEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000441369916 946520833 /nfs/dbraw/zinc/52/08/33/946520833.db2.gz GEGMHDCTILCLNF-WOJBJXKFSA-N 1 0 353.510 3.906 20 30 FHEDRO N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411763 946565489 /nfs/dbraw/zinc/56/54/89/946565489.db2.gz HJDRLXCMRCQHER-MAUKXSAKSA-N 1 0 361.436 3.608 20 30 FHEDRO Cc1cc(C)n(-c2ccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)cn2)n1 ZINC000262442995 946597295 /nfs/dbraw/zinc/59/72/95/946597295.db2.gz ICYLTJXKDAOHHF-UHFFFAOYSA-N 1 0 374.492 3.690 20 30 FHEDRO CC[NH+]=C(NCc1cccc(C(F)(F)F)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262451353 946644155 /nfs/dbraw/zinc/64/41/55/946644155.db2.gz WCHOEWBNSOSSIA-XHSDSOJGSA-N 1 0 369.431 3.574 20 30 FHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000475558276 946646569 /nfs/dbraw/zinc/64/65/69/946646569.db2.gz IPEGHKOBHJXDRA-LJQANCHMSA-N 1 0 373.541 3.753 20 30 FHEDRO C[C@H]([NH2+]CC(C)(C)c1c(Cl)cccc1Cl)C(=O)N(C)CCC#N ZINC000112544016 946654983 /nfs/dbraw/zinc/65/49/83/946654983.db2.gz WNPSTQNUOQNHHY-LBPRGKRZSA-N 1 0 356.297 3.621 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000112545798 946656309 /nfs/dbraw/zinc/65/63/09/946656309.db2.gz CCGUKIJURHNVRQ-HOCLYGCPSA-N 1 0 370.522 3.838 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000112545800 946656692 /nfs/dbraw/zinc/65/66/92/946656692.db2.gz CCGUKIJURHNVRQ-GDBMZVCRSA-N 1 0 370.522 3.838 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](c1ccccc1OC)N1CCCC1 ZINC000025361653 946662467 /nfs/dbraw/zinc/66/24/67/946662467.db2.gz PFOYRTZRPIRAEJ-NRFANRHFSA-N 1 0 364.489 3.634 20 30 FHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508492289 946665997 /nfs/dbraw/zinc/66/59/97/946665997.db2.gz IZHVHIWVRSSYED-LJQANCHMSA-N 1 0 359.562 3.755 20 30 FHEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000303784861 946689427 /nfs/dbraw/zinc/68/94/27/946689427.db2.gz PUKMHKDYOSUBKY-GOSISDBHSA-N 1 0 372.557 3.932 20 30 FHEDRO CC(C)N1CC[C@@H]([NH2+]Cc2nc(C#N)cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000567431489 946689365 /nfs/dbraw/zinc/68/93/65/946689365.db2.gz NOBGHHFALFYZCP-AEFFLSMTSA-N 1 0 362.449 3.607 20 30 FHEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000475206155 946721350 /nfs/dbraw/zinc/72/13/50/946721350.db2.gz NARNBELDUXIGDX-PWRODBHTSA-N 1 0 353.510 3.854 20 30 FHEDRO C=C(C)CN1CCC([NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000106245563 946730993 /nfs/dbraw/zinc/73/09/93/946730993.db2.gz DVPWBXVBJVOGDT-UHFFFAOYSA-N 1 0 374.479 3.897 20 30 FHEDRO CCCOc1ncccc1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000303906334 946734057 /nfs/dbraw/zinc/73/40/57/946734057.db2.gz ZWJTXPWPKCJKQJ-UHFFFAOYSA-N 1 0 368.359 3.696 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000164543607 946758705 /nfs/dbraw/zinc/75/87/05/946758705.db2.gz KJVLIRSPBGSQOJ-HNNXBMFYSA-N 1 0 355.434 3.575 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)CCCC1 ZINC000661852232 946761402 /nfs/dbraw/zinc/76/14/02/946761402.db2.gz ORGCYFQQLRLOEN-SFHVURJKSA-N 1 0 372.509 3.846 20 30 FHEDRO C#Cc1ccc(C(=O)N(CCC)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000728823240 946764611 /nfs/dbraw/zinc/76/46/11/946764611.db2.gz OKZIPMFVWUPPKG-NRFANRHFSA-N 1 0 361.489 3.580 20 30 FHEDRO CC[C@](C)(C#N)C(=O)NCc1ccccc1OCCC[N@H+](C)C1CCCC1 ZINC001126611394 946769781 /nfs/dbraw/zinc/76/97/81/946769781.db2.gz GUIFGFUSZRRJPE-JOCHJYFZSA-N 1 0 371.525 3.886 20 30 FHEDRO [NH2+]=C(NCc1nccn1C(F)F)Nc1cccc(Oc2ccccc2)c1 ZINC000304500937 946783987 /nfs/dbraw/zinc/78/39/87/946783987.db2.gz PEURGDGJHSJNRL-UHFFFAOYSA-N 1 0 357.364 3.997 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)cc1 ZINC000897320051 946827859 /nfs/dbraw/zinc/82/78/59/946827859.db2.gz IWVCTUCCCLCQPX-HNNXBMFYSA-N 1 0 360.417 3.627 20 30 FHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C(C)(C)C#N)cc2)o1 ZINC000475310075 946864404 /nfs/dbraw/zinc/86/44/04/946864404.db2.gz BWFCDQZNADCIKB-UHFFFAOYSA-N 1 0 353.466 3.593 20 30 FHEDRO [NH2+]=C(NCc1ccnc(OCc2ccccc2)c1)NC1CCCCCC1 ZINC000305740681 946865290 /nfs/dbraw/zinc/86/52/90/946865290.db2.gz DEAFHVMJUWASDP-UHFFFAOYSA-N 1 0 352.482 3.788 20 30 FHEDRO C=CCCC1(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000475310791 946866418 /nfs/dbraw/zinc/86/64/18/946866418.db2.gz FLHUFXDBDPWHQM-UHFFFAOYSA-N 1 0 356.510 3.770 20 30 FHEDRO COc1ccccc1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475359640 946942688 /nfs/dbraw/zinc/94/26/88/946942688.db2.gz WQJXDBOECBDJJX-IBGZPJMESA-N 1 0 355.869 3.731 20 30 FHEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@H](O)c1cccc(Br)c1 ZINC000840959372 946964026 /nfs/dbraw/zinc/96/40/26/946964026.db2.gz REWWWPZDSIFYFB-HNNXBMFYSA-N 1 0 351.269 3.548 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000328669436 946973646 /nfs/dbraw/zinc/97/36/46/946973646.db2.gz FEZXTVKMUUJNAK-HTDHLNIYSA-N 1 0 372.509 3.728 20 30 FHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000328721220 946981305 /nfs/dbraw/zinc/98/13/05/946981305.db2.gz RAJRVDGGNLIXHI-BXUZGUMPSA-N 1 0 372.296 3.662 20 30 FHEDRO Cc1cn2c(n1)[C@H](CNC(=O)N1CCC(c3ccc(O)cc3)CC1)CCC2 ZINC000328724791 946982323 /nfs/dbraw/zinc/98/23/23/946982323.db2.gz SZJMUMPHUIZCKQ-SFHVURJKSA-N 1 0 368.481 3.568 20 30 FHEDRO Cn1ncc2c1C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)CC2 ZINC000328677494 946983888 /nfs/dbraw/zinc/98/38/88/946983888.db2.gz SFTBJODJSAJWRL-IDHHARJASA-N 1 0 372.538 3.626 20 30 FHEDRO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000328740879 947006191 /nfs/dbraw/zinc/00/61/91/947006191.db2.gz NHNMAAIWNVMUKS-YUSPZLJHSA-N 1 0 370.541 3.913 20 30 FHEDRO CC[NH+]=C(NCc1cc(C)cc2c(C)c(C)[nH]c21)N1CC[C@@H](COC)C1 ZINC000262479407 947006311 /nfs/dbraw/zinc/00/63/11/947006311.db2.gz RBGHJIVIORMCRK-QGZVFWFLSA-N 1 0 356.514 3.527 20 30 FHEDRO C[C@@H](NC(=O)CN1CCC[C@H]2C(=O)NC[C@H]21)c1cccc2ccccc21 ZINC000328773821 947021768 /nfs/dbraw/zinc/02/17/68/947021768.db2.gz HMDROZIGRAZYMF-NIKGAXFTSA-N 1 0 351.450 3.908 20 30 FHEDRO COCc1nc(C)c(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)s1 ZINC000328733103 947027942 /nfs/dbraw/zinc/02/79/42/947027942.db2.gz XTWCRXREFUIINZ-UHFFFAOYSA-N 1 0 365.543 3.949 20 30 FHEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)NC(=O)CC1CCCCC1)CC2 ZINC000328823388 947039612 /nfs/dbraw/zinc/03/96/12/947039612.db2.gz RVWWMCWWSWSBJQ-UHOSZYNNSA-N 1 0 363.546 3.776 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000328796496 947049260 /nfs/dbraw/zinc/04/92/60/947049260.db2.gz UUQQCUJCOFJZIN-DJJJIMSYSA-N 1 0 358.442 3.638 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000328828387 947054304 /nfs/dbraw/zinc/05/43/04/947054304.db2.gz QQMZIFRWVYTFBS-APWZRJJASA-N 1 0 373.497 3.879 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000328865803 947073258 /nfs/dbraw/zinc/07/32/58/947073258.db2.gz ZRPXBVPUJBHINZ-MSOLQXFVSA-N 1 0 365.562 3.740 20 30 FHEDRO CC(C)[NH+](CCn1c(SCCC#N)nc2ccccc2c1=O)C(C)C ZINC000049552486 947084927 /nfs/dbraw/zinc/08/49/27/947084927.db2.gz MRCVWMSWNIPCQX-UHFFFAOYSA-N 1 0 358.511 3.521 20 30 FHEDRO CC(C)C(=O)N1CCCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328944774 947096437 /nfs/dbraw/zinc/09/64/37/947096437.db2.gz ARXUWZYVZNPGQE-IBGZPJMESA-N 1 0 363.546 3.635 20 30 FHEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000444678572 947103078 /nfs/dbraw/zinc/10/30/78/947103078.db2.gz ZHDGMVGJAYTLRD-SFHVURJKSA-N 1 0 363.505 3.502 20 30 FHEDRO Cc1c(Cl)cccc1N1CCCN([C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000328907729 947103387 /nfs/dbraw/zinc/10/33/87/947103387.db2.gz LSIYCUGICLWMFB-OAHLLOKOSA-N 1 0 373.888 3.627 20 30 FHEDRO COc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)ncc1Br ZINC000328917031 947107708 /nfs/dbraw/zinc/10/77/08/947107708.db2.gz KLMLOCCRSOGQJJ-ZDUSSCGKSA-N 1 0 368.275 3.848 20 30 FHEDRO CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000328984428 947134362 /nfs/dbraw/zinc/13/43/62/947134362.db2.gz GDUIDLLHJLCRMH-LAUBAEHRSA-N 1 0 371.525 3.776 20 30 FHEDRO CCOc1ccc(F)c(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1F ZINC000330494691 947188688 /nfs/dbraw/zinc/18/86/88/947188688.db2.gz PHUAXXVEGGZNPQ-UHFFFAOYSA-N 1 0 355.429 3.952 20 30 FHEDRO CC(C)N(CC[NH+](C)C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000151813656 947198066 /nfs/dbraw/zinc/19/80/66/947198066.db2.gz KVDBVJHUFFACJN-UHFFFAOYSA-N 1 0 365.477 3.549 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C(C)C)C2)cc1 ZINC000444774200 947208578 /nfs/dbraw/zinc/20/85/78/947208578.db2.gz VOTYZXDUWFWZBQ-SFHVURJKSA-N 1 0 357.498 3.700 20 30 FHEDRO CC[N@H+](C)C[C@H]1CCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093770636 947212335 /nfs/dbraw/zinc/21/23/35/947212335.db2.gz GMYZNEKBYRPIFV-HXUWFJFHSA-N 1 0 363.505 3.911 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000662085318 947223462 /nfs/dbraw/zinc/22/34/62/947223462.db2.gz DHSKSSUCEVEZGN-OAGGEKHMSA-N 1 0 355.507 3.826 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000662086436 947225985 /nfs/dbraw/zinc/22/59/85/947225985.db2.gz SBXDSAKTWCGHOA-CALCHBBNSA-N 1 0 354.450 3.850 20 30 FHEDRO C=CCn1c(CCCC)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508508547 947243235 /nfs/dbraw/zinc/24/32/35/947243235.db2.gz XAZQIELSCXMNMU-FQEVSTJZSA-N 1 0 367.541 3.765 20 30 FHEDRO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000523451385 947255688 /nfs/dbraw/zinc/25/56/88/947255688.db2.gz BJYIBVODOLFAJZ-WZONZLPQSA-N 1 0 361.489 3.956 20 30 FHEDRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000523451383 947256233 /nfs/dbraw/zinc/25/62/33/947256233.db2.gz BJYIBVODOLFAJZ-JPYJTQIMSA-N 1 0 361.489 3.956 20 30 FHEDRO N#Cc1cccc(C(=O)N2CCC[C@@]3(CCC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001271497406 947270864 /nfs/dbraw/zinc/27/08/64/947270864.db2.gz QPIRXEGWWDYVFD-JOCHJYFZSA-N 1 0 351.494 3.819 20 30 FHEDRO CCCC[C@H](CC)C[N@@H+]1CCC2(CN(C(=O)c3cccc(C#N)c3)C2)C1 ZINC001271498125 947271858 /nfs/dbraw/zinc/27/18/58/947271858.db2.gz ZYYNVRUPFKVLRW-SFHVURJKSA-N 1 0 353.510 3.923 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)c(OC(C)C)c2)C[C@H]1C ZINC000330900493 947307717 /nfs/dbraw/zinc/30/77/17/947307717.db2.gz JVPRNWQNNGWMNU-WBVHZDCISA-N 1 0 363.502 3.833 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000330942741 947314257 /nfs/dbraw/zinc/31/42/57/947314257.db2.gz GVQWCCGTBFPCCO-NEPJUHHUSA-N 1 0 354.838 3.598 20 30 FHEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330932180 947322637 /nfs/dbraw/zinc/32/26/37/947322637.db2.gz XEVBDOOMDJKZLE-YPMHNXCESA-N 1 0 360.424 3.690 20 30 FHEDRO CSc1nc(C(C)C)nc(C)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000331034538 947333418 /nfs/dbraw/zinc/33/34/18/947333418.db2.gz LGYDTAJKJDJNOM-UHFFFAOYSA-N 1 0 350.532 3.808 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)C[C@H]1C ZINC000331109658 947348708 /nfs/dbraw/zinc/34/87/08/947348708.db2.gz HUBLFJBYJPRTQM-SJLPKXTDSA-N 1 0 374.529 3.940 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)C[C@@H]1C ZINC000331109660 947348774 /nfs/dbraw/zinc/34/87/74/947348774.db2.gz HUBLFJBYJPRTQM-WMZOPIPTSA-N 1 0 374.529 3.940 20 30 FHEDRO CCOC[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093839345 947369050 /nfs/dbraw/zinc/36/90/50/947369050.db2.gz BTWTYOUVYWTCMM-IBGZPJMESA-N 1 0 350.462 3.996 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cc(F)c(Br)cc1F ZINC000599542442 947374460 /nfs/dbraw/zinc/37/44/60/947374460.db2.gz SXWJPYVFZCUJMK-NXEZZACHSA-N 1 0 361.230 3.679 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)ccc2OC(F)F)C[C@@H]1C ZINC000331277750 947376733 /nfs/dbraw/zinc/37/67/33/947376733.db2.gz JNWCFHYJMRRIEY-STQMWFEESA-N 1 0 371.428 3.647 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C ZINC000331284156 947377776 /nfs/dbraw/zinc/37/77/76/947377776.db2.gz KLIRDWFQXYUFOR-GXTWGEPZSA-N 1 0 366.412 3.510 20 30 FHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000331319588 947385927 /nfs/dbraw/zinc/38/59/27/947385927.db2.gz KSSHXSCBOWUUHD-ZDUSSCGKSA-N 1 0 364.287 3.603 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1c[nH]c2cccc(C)c12)C(C)C ZINC000508517385 947443378 /nfs/dbraw/zinc/44/33/78/947443378.db2.gz FEOUQUSMJMZQQN-HXUWFJFHSA-N 1 0 353.510 3.834 20 30 FHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC001573333924 947445584 /nfs/dbraw/zinc/44/55/84/947445584.db2.gz HYPOXQNQVOGPDN-QGZVFWFLSA-N 1 0 364.409 3.572 20 30 FHEDRO CCOCCOc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440635087 947453470 /nfs/dbraw/zinc/45/34/70/947453470.db2.gz JPWBJWUFNDEOEC-UHFFFAOYSA-N 1 0 354.450 3.580 20 30 FHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C#N)c3)C2)nc1 ZINC001167789593 947463689 /nfs/dbraw/zinc/46/36/89/947463689.db2.gz UXMFQSRFXWRHSQ-QGZVFWFLSA-N 1 0 368.868 3.766 20 30 FHEDRO COc1cc(CNc2ccccc2C[NH+]2CCSCC2)ccc1C#N ZINC000440635595 947467904 /nfs/dbraw/zinc/46/79/04/947467904.db2.gz KBWBTUHHBOXXDL-UHFFFAOYSA-N 1 0 353.491 3.728 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)ccc1C#N ZINC000440642520 947469546 /nfs/dbraw/zinc/46/95/46/947469546.db2.gz YIZGQJFQMHRVJG-OAHLLOKOSA-N 1 0 359.832 3.728 20 30 FHEDRO C[NH+](C)CC(C)(C)CNc1c(C#N)cnc2c(Br)cccc21 ZINC000440651744 947479405 /nfs/dbraw/zinc/47/94/05/947479405.db2.gz WJNOQWJIMJNTDM-UHFFFAOYSA-N 1 0 361.287 3.869 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000663237121 947493918 /nfs/dbraw/zinc/49/39/18/947493918.db2.gz YPRVQDBONOUONO-ZVDOUQERSA-N 1 0 369.509 3.725 20 30 FHEDRO CC(C)c1ccc([C@@H](C)NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000330257134 947555300 /nfs/dbraw/zinc/55/53/00/947555300.db2.gz LFGWBSKZISWOJX-MRXNPFEDSA-N 1 0 369.513 3.782 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3(C#N)CCCC3)cc2)C1 ZINC000072010110 947572830 /nfs/dbraw/zinc/57/28/30/947572830.db2.gz ITCDAYRABIRJEV-ROUUACIJSA-N 1 0 353.510 3.865 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3(C#N)CCCC3)cc2)C1 ZINC000072010111 947573064 /nfs/dbraw/zinc/57/30/64/947573064.db2.gz ITCDAYRABIRJEV-QZTJIDSGSA-N 1 0 353.510 3.865 20 30 FHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1F ZINC000121536971 947584714 /nfs/dbraw/zinc/58/47/14/947584714.db2.gz DJZXSJFBDKEXTI-NSHDSACASA-N 1 0 361.442 3.674 20 30 FHEDRO COc1ccc(Cl)cc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000027739521 947653985 /nfs/dbraw/zinc/65/39/85/947653985.db2.gz NENGZBNPJYANQG-UHFFFAOYSA-N 1 0 357.841 3.681 20 30 FHEDRO COc1ccc(Cl)cc1CN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000027735108 947658107 /nfs/dbraw/zinc/65/81/07/947658107.db2.gz BMGCUAZCQOREIG-AWEZNQCLSA-N 1 0 363.889 3.512 20 30 FHEDRO Cc1cc(-c2ncccc2NC(=O)N(CCC#N)CCC[NH+](C)C)cs1 ZINC000189187532 947658930 /nfs/dbraw/zinc/65/89/30/947658930.db2.gz UUBJKTZRHMBELW-UHFFFAOYSA-N 1 0 371.510 3.818 20 30 FHEDRO CCN(C(=O)Nc1cccc(C#N)c1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184573744 947659815 /nfs/dbraw/zinc/65/98/15/947659815.db2.gz NKPHDZRKJXVGIG-HXUWFJFHSA-N 1 0 362.477 3.995 20 30 FHEDRO C[C@@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000121554542 947748426 /nfs/dbraw/zinc/74/84/26/947748426.db2.gz PAAFJIQJMSBZSV-OAHLLOKOSA-N 1 0 369.415 3.573 20 30 FHEDRO CC[N@H+](CCC1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1)CC1CC1 ZINC000459001811 947756032 /nfs/dbraw/zinc/75/60/32/947756032.db2.gz CCEXBRYZKRBCCD-ICSRJNTNSA-N 1 0 360.546 3.612 20 30 FHEDRO Cn1cc([C@@H]([NH2+]CCCOc2cccc(C#N)c2)c2ccc(F)cc2)cn1 ZINC000184595494 947784970 /nfs/dbraw/zinc/78/49/70/947784970.db2.gz MOQISWDXSQEXCI-NRFANRHFSA-N 1 0 364.424 3.579 20 30 FHEDRO Cc1ccc(C#N)cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001126243841 947840410 /nfs/dbraw/zinc/84/04/10/947840410.db2.gz OPPPUYPYQVLJMK-RXVVDRJESA-N 1 0 361.489 3.992 20 30 FHEDRO Cc1cc(C#N)cc(C)c1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001126244305 947844450 /nfs/dbraw/zinc/84/44/50/947844450.db2.gz QTNMIFOPKLRZQE-IBGZPJMESA-N 1 0 361.489 3.912 20 30 FHEDRO C=CC[C@@]1(C(=O)NCc2ccccc2COCc2ccccc2)CCC[NH2+]1 ZINC000662479600 947849067 /nfs/dbraw/zinc/84/90/67/947849067.db2.gz ABPQDIINYOWKBQ-QHCPKHFHSA-N 1 0 364.489 3.718 20 30 FHEDRO C=CC[C@]1(C(=O)NCc2ccccc2COCc2ccccc2)CCC[NH2+]1 ZINC000662479599 947849153 /nfs/dbraw/zinc/84/91/53/947849153.db2.gz ABPQDIINYOWKBQ-HSZRJFAPSA-N 1 0 364.489 3.718 20 30 FHEDRO C=CC[C@@]1(C(=O)NCc2cccc(COCc3ccccc3)c2)CCC[NH2+]1 ZINC000662480556 947850269 /nfs/dbraw/zinc/85/02/69/947850269.db2.gz LIQBUGNUDRYQMG-QHCPKHFHSA-N 1 0 364.489 3.718 20 30 FHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000125818834 947881926 /nfs/dbraw/zinc/88/19/26/947881926.db2.gz LNWHHTCUGUYPCP-UHFFFAOYSA-N 1 0 355.869 3.936 20 30 FHEDRO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000441486031 947968211 /nfs/dbraw/zinc/96/82/11/947968211.db2.gz MIEJUPANPYMPPJ-QRQLOZEOSA-N 1 0 366.465 3.634 20 30 FHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@H]1c1ccccc1 ZINC000585717089 948232230 /nfs/dbraw/zinc/23/22/30/948232230.db2.gz MZJLKFFUKREOQO-RTBURBONSA-N 1 0 370.294 3.856 20 30 FHEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@@H](C)COC ZINC000663581288 948247330 /nfs/dbraw/zinc/24/73/30/948247330.db2.gz JMBSFFHSQQMYBT-OALUTQOASA-N 1 0 373.541 3.794 20 30 FHEDRO N#CCN1CCC([NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000585764904 948274846 /nfs/dbraw/zinc/27/48/46/948274846.db2.gz ZDEHBEUUEMVFFN-ZWKOTPCHSA-N 1 0 351.416 3.919 20 30 FHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CC3CC3)C2)sc2c1CCCC2 ZINC000550422650 948351608 /nfs/dbraw/zinc/35/16/08/948351608.db2.gz NQLJEKGZKOPTTR-HNNXBMFYSA-N 1 0 357.523 3.949 20 30 FHEDRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000178975646 948355853 /nfs/dbraw/zinc/35/58/53/948355853.db2.gz RJDQFCOSJIAXLN-INIZCTEOSA-N 1 0 360.473 3.802 20 30 FHEDRO CN(C)Cc1cnc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000512071139 948357803 /nfs/dbraw/zinc/35/78/03/948357803.db2.gz IFPSFRXGCKNGLK-UHFFFAOYSA-N 1 0 370.522 3.556 20 30 FHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C[C@@H](C)O)C(C)C)c1C#N ZINC000107041498 948388252 /nfs/dbraw/zinc/38/82/52/948388252.db2.gz SJXANHZWEWSTAZ-OAHLLOKOSA-N 1 0 374.529 3.512 20 30 FHEDRO C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(C#N)ccn1 ZINC001167842919 948394177 /nfs/dbraw/zinc/39/41/77/948394177.db2.gz COQNDMFJWNHBTK-MGPUTAFESA-N 1 0 358.486 3.516 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@@H]1C(F)(F)F ZINC000895090776 948415074 /nfs/dbraw/zinc/41/50/74/948415074.db2.gz PGGFBISDAHMANZ-BBWFWOEESA-N 1 0 368.399 3.753 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C12CCCCC2 ZINC000279213231 948624422 /nfs/dbraw/zinc/62/44/22/948624422.db2.gz HDBMEHHOJJLCMU-QZTJIDSGSA-N 1 0 366.465 3.826 20 30 FHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000507806173 948691177 /nfs/dbraw/zinc/69/11/77/948691177.db2.gz YMWDNDVKFHBUBC-UHFFFAOYSA-N 1 0 367.424 3.569 20 30 FHEDRO CC[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3C#N)c(C)c2)CC1 ZINC000057366582 535747878 /nfs/dbraw/zinc/74/78/78/535747878.db2.gz ONZJGPACLKVXDY-UHFFFAOYSA-N 1 0 365.437 3.660 20 30 FHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000601745825 567834063 /nfs/dbraw/zinc/83/40/63/567834063.db2.gz YXVHCRZVMIJPRT-UHFFFAOYSA-N 1 0 364.493 3.645 20 30 FHEDRO CCCn1c(C)cc(-c2csc(NC(=O)[C@H]([NH3+])CCCC#N)n2)c1C ZINC000601855076 567852505 /nfs/dbraw/zinc/85/25/05/567852505.db2.gz GKNKIWFXEJXONE-OAHLLOKOSA-N 1 0 359.499 3.598 20 30 FHEDRO CCCn1c(C)cc(-c2csc(NC(=O)[C@@H]([NH3+])CCCCC#N)n2)c1C ZINC000601856930 567852745 /nfs/dbraw/zinc/85/27/45/567852745.db2.gz RBSUWFQHLADSSR-INIZCTEOSA-N 1 0 373.526 3.988 20 30 FHEDRO N#CC1(C[C@H](O)C[NH2+]C[C@]2(Cc3ccccc3)C=CCCC2)CCOCC1 ZINC000601965900 567889064 /nfs/dbraw/zinc/88/90/64/567889064.db2.gz BMTQVTILRGTGHF-JTHBVZDNSA-N 1 0 368.521 3.617 20 30 FHEDRO C=CCC1(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)CCC1 ZINC000188552705 567916754 /nfs/dbraw/zinc/91/67/54/567916754.db2.gz GOAAKQCUJVYTCJ-UHFFFAOYSA-N 1 0 369.553 3.760 20 30 FHEDRO N#CC1(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000602176273 567941909 /nfs/dbraw/zinc/94/19/09/567941909.db2.gz GZHMKEFZPAGPEE-UHFFFAOYSA-N 1 0 351.494 3.585 20 30 FHEDRO N#CC1CCC([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)CC1 ZINC000602517286 567986773 /nfs/dbraw/zinc/98/67/73/567986773.db2.gz FIWMURAIMJWPSP-UHFFFAOYSA-N 1 0 351.450 3.711 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000602517941 567986816 /nfs/dbraw/zinc/98/68/16/567986816.db2.gz HXKAZWDGIHGENC-CQSZACIVSA-N 1 0 356.388 3.816 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCOc1cccc(Br)c1 ZINC000602518126 567986821 /nfs/dbraw/zinc/98/68/21/567986821.db2.gz KETFSXQVEIECHB-AWEZNQCLSA-N 1 0 367.287 3.516 20 30 FHEDRO Cc1ccccc1C1(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)CCOCC1 ZINC000602520771 567987181 /nfs/dbraw/zinc/98/71/81/567987181.db2.gz JJEZIRZKMPIUIY-IBGZPJMESA-N 1 0 356.510 3.732 20 30 FHEDRO COc1ccc(CC[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1OC(F)F ZINC000602526295 567987814 /nfs/dbraw/zinc/98/78/14/567987814.db2.gz IRYQAERPLSALQO-CQSZACIVSA-N 1 0 368.424 3.528 20 30 FHEDRO CSc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1Br ZINC000602528446 567987998 /nfs/dbraw/zinc/98/79/98/567987998.db2.gz BPTZTYXVPMPJFA-GFCCVEGCSA-N 1 0 356.289 3.521 20 30 FHEDRO COc1ccc(Br)c(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602530232 567988265 /nfs/dbraw/zinc/98/82/65/567988265.db2.gz TXWFLFHQRQHQKU-ZDUSSCGKSA-N 1 0 367.287 3.646 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000602509178 567989036 /nfs/dbraw/zinc/98/90/36/567989036.db2.gz CKERLJFJPHNCFE-CQSZACIVSA-N 1 0 364.873 3.690 20 30 FHEDRO N#CC1CCC([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)CC1 ZINC000602544766 567990097 /nfs/dbraw/zinc/99/00/97/567990097.db2.gz LBENSOUTSKTQAO-UHFFFAOYSA-N 1 0 363.465 3.575 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCOc1cccc2cccnc21 ZINC000602536698 567992390 /nfs/dbraw/zinc/99/23/90/567992390.db2.gz KEAKTRSLPMKWBK-KRWDZBQOSA-N 1 0 353.466 3.692 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000602539293 567992817 /nfs/dbraw/zinc/99/28/17/567992817.db2.gz ISPRWEPGTZFHAI-CQSZACIVSA-N 1 0 374.872 3.621 20 30 FHEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602576990 567993278 /nfs/dbraw/zinc/99/32/78/567993278.db2.gz DYBWHGVGSHRKBG-SJORKVTESA-N 1 0 360.498 3.571 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000602580880 567993639 /nfs/dbraw/zinc/99/36/39/567993639.db2.gz IPAGNDGVJHHOIE-INIZCTEOSA-N 1 0 358.482 3.830 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000602591288 567994990 /nfs/dbraw/zinc/99/49/90/567994990.db2.gz YKQCOLPCQNUOKR-QRWLVFNGSA-N 1 0 374.481 3.848 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000602614675 567997893 /nfs/dbraw/zinc/99/78/93/567997893.db2.gz FSGUTHCEHCOJGQ-CQSZACIVSA-N 1 0 367.415 3.839 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000602618136 567998294 /nfs/dbraw/zinc/99/82/94/567998294.db2.gz CWYJSNLZZQLRPY-NQIIRXRSSA-N 1 0 355.526 3.586 20 30 FHEDRO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1C[C@H](C)CCC#N ZINC000602597292 567999809 /nfs/dbraw/zinc/99/98/09/567999809.db2.gz AOJZRQDXOIWIBU-UZLBHIALSA-N 1 0 352.482 3.802 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000602598130 568000107 /nfs/dbraw/zinc/00/01/07/568000107.db2.gz BTLSQYUYUGPIPO-HUUCEWRRSA-N 1 0 365.880 3.746 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000602639505 568002660 /nfs/dbraw/zinc/00/26/60/568002660.db2.gz SNCVQXXBDCTYCF-NQSCKRDGSA-N 1 0 374.500 3.588 20 30 FHEDRO CN1CC[C@H]([NH2+]CC2(CC#N)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000602641842 568003175 /nfs/dbraw/zinc/00/31/75/568003175.db2.gz FTXGWNTVXXDJDR-DLBZAZTESA-N 1 0 362.315 3.868 20 30 FHEDRO N#CC1CCC([NH2+]Cc2noc(-c3cccc(Br)c3)n2)CC1 ZINC000602645644 568003994 /nfs/dbraw/zinc/00/39/94/568003994.db2.gz XNGACWOQAMODCR-UHFFFAOYSA-N 1 0 361.243 3.671 20 30 FHEDRO COC[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000602674146 568008641 /nfs/dbraw/zinc/00/86/41/568008641.db2.gz FMJULPCUDRHHAV-NVXWUHKLSA-N 1 0 350.890 3.759 20 30 FHEDRO C[C@@H](CC#N)NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000602869955 568008920 /nfs/dbraw/zinc/00/89/20/568008920.db2.gz RDXAQWDBTSVRCW-SUMWQHHRSA-N 1 0 370.840 3.502 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1cccc(Br)c1 ZINC000602689159 568011726 /nfs/dbraw/zinc/01/17/26/568011726.db2.gz SJDHXUDHCBZVFK-AWEZNQCLSA-N 1 0 351.288 3.680 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000602726681 568024001 /nfs/dbraw/zinc/02/40/01/568024001.db2.gz XYLPPVBTOJOZNH-GDBMZVCRSA-N 1 0 365.880 3.746 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000602726684 568024162 /nfs/dbraw/zinc/02/41/62/568024162.db2.gz XYLPPVBTOJOZNH-ZBFHGGJFSA-N 1 0 365.880 3.746 20 30 FHEDRO CC(C)[C@H]([NH3+])c1cn(CCC(C#N)(c2ccccc2)c2ccccc2)nn1 ZINC000603178008 568068269 /nfs/dbraw/zinc/06/82/69/568068269.db2.gz ICWZOKKAQUWTJY-NRFANRHFSA-N 1 0 359.477 3.834 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(N2CCCC2)c1 ZINC000181876922 568075290 /nfs/dbraw/zinc/07/52/90/568075290.db2.gz UDAJZFZIRJKZCQ-CQSZACIVSA-N 1 0 354.479 3.509 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000481646452 568080519 /nfs/dbraw/zinc/08/05/19/568080519.db2.gz QCSMRQNZAWHGAX-LJQANCHMSA-N 1 0 369.415 3.624 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[NH+](C)C)cc1 ZINC000481656057 568081832 /nfs/dbraw/zinc/08/18/32/568081832.db2.gz JMLRQMOPMLSLCX-LJQANCHMSA-N 1 0 354.429 3.684 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCNC(=O)c1cccs1 ZINC000481664889 568083624 /nfs/dbraw/zinc/08/36/24/568083624.db2.gz PWVRPQZWOPWGAG-SFHVURJKSA-N 1 0 353.491 3.797 20 30 FHEDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481678117 568084953 /nfs/dbraw/zinc/08/49/53/568084953.db2.gz OTGUBWYTVQXBFB-LJQANCHMSA-N 1 0 351.450 3.637 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000481677964 568085777 /nfs/dbraw/zinc/08/57/77/568085777.db2.gz MRJVJMINTNNPLV-WOJBJXKFSA-N 1 0 363.436 3.860 20 30 FHEDRO C[NH+](C)CCc1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000568648948 568106981 /nfs/dbraw/zinc/10/69/81/568106981.db2.gz ALBMZUJYDIRWHL-UHFFFAOYSA-N 1 0 359.473 3.592 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@]2(C)CCOC2)cc1OC ZINC000603516010 568111572 /nfs/dbraw/zinc/11/15/72/568111572.db2.gz UBFRWKSJOYPLBZ-KRWDZBQOSA-N 1 0 370.287 3.539 20 30 FHEDRO N#Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000481897743 568173117 /nfs/dbraw/zinc/17/31/17/568173117.db2.gz UMZVAKVCGVUEGA-MJGOQNOKSA-N 1 0 365.502 3.746 20 30 FHEDRO COC1([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)CCCCC1 ZINC000568747301 568176847 /nfs/dbraw/zinc/17/68/47/568176847.db2.gz RPVSIWMWYDSSCF-IVMQYODDSA-N 1 0 357.498 3.971 20 30 FHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000603894817 568177841 /nfs/dbraw/zinc/17/78/41/568177841.db2.gz SPUBDFKADWWXCY-UHFFFAOYSA-N 1 0 359.267 3.969 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000481913259 568182019 /nfs/dbraw/zinc/18/20/19/568182019.db2.gz DTVKTJIJZGPYLJ-QAPCUYQASA-N 1 0 351.416 3.800 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000481914453 568182091 /nfs/dbraw/zinc/18/20/91/568182091.db2.gz ALELXHPJYDNPPK-OAQYLSRUSA-N 1 0 353.510 3.560 20 30 FHEDRO Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)c(C)c1 ZINC000604081569 568209125 /nfs/dbraw/zinc/20/91/25/568209125.db2.gz XFQGREGUJUNXEC-ICSRJNTNSA-N 1 0 352.478 3.802 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000568806701 568229127 /nfs/dbraw/zinc/22/91/27/568229127.db2.gz JTTBWYFCUGRDPH-SFTDATJTSA-N 1 0 374.488 3.853 20 30 FHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccco1 ZINC000569040840 568278235 /nfs/dbraw/zinc/27/82/35/568278235.db2.gz JYGJSCDBAPCAAE-MAUKXSAKSA-N 1 0 371.506 3.630 20 30 FHEDRO N#CCCN(C(=O)C[NH2+]C1(c2ccc(F)cc2)CCC1)c1ccccc1 ZINC000604564843 568317025 /nfs/dbraw/zinc/31/70/25/568317025.db2.gz VWZBARWWGDYNGO-UHFFFAOYSA-N 1 0 351.425 3.741 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCc2nc(C#N)cs2)C1 ZINC000570321775 568467962 /nfs/dbraw/zinc/46/79/62/568467962.db2.gz UQRKIJMZHCNMEO-HOTGVXAUSA-N 1 0 354.523 3.782 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2nc(C#N)cs2)C1 ZINC000570321776 568467980 /nfs/dbraw/zinc/46/79/80/568467980.db2.gz UQRKIJMZHCNMEO-HZPDHXFCSA-N 1 0 354.523 3.782 20 30 FHEDRO C=CCOc1cccc(NC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000365374632 568578381 /nfs/dbraw/zinc/57/83/81/568578381.db2.gz BXJHWSVWOGQASX-UHFFFAOYSA-N 1 0 366.465 3.779 20 30 FHEDRO N#CCCCn1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000365437834 568671103 /nfs/dbraw/zinc/67/11/03/568671103.db2.gz ORSGQUZNYUKSIY-UHFFFAOYSA-N 1 0 364.493 3.692 20 30 FHEDRO CC(C)([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000570917941 568688385 /nfs/dbraw/zinc/68/83/85/568688385.db2.gz JWVINJKEEJSBFE-LJQANCHMSA-N 1 0 369.415 3.857 20 30 FHEDRO N#Cc1c(C#N)c(N2CCC[C@@H]([NH+]3CCCC3)C2)nc2c1CCCCCC2 ZINC000408330894 568700435 /nfs/dbraw/zinc/70/04/35/568700435.db2.gz UHGVYCKJHWBMKT-QGZVFWFLSA-N 1 0 363.509 3.549 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC)cc1 ZINC000050107842 568725594 /nfs/dbraw/zinc/72/55/94/568725594.db2.gz SUWZEUYMDUWFMW-UHFFFAOYSA-N 1 0 366.465 3.730 20 30 FHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820092756 606965346 /nfs/dbraw/zinc/96/53/46/606965346.db2.gz OVEVSPPTQGGUBA-UHFFFAOYSA-N 1 0 364.428 3.536 20 30 FHEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824537005 608543115 /nfs/dbraw/zinc/54/31/15/608543115.db2.gz CEYBDBBEMIXGFI-MIJUQJRQSA-N 1 0 372.476 3.921 20 30 FHEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824540100 608543267 /nfs/dbraw/zinc/54/32/67/608543267.db2.gz RMKXGFVTNRAOFB-MIJUQJRQSA-N 1 0 372.476 3.921 20 30 FHEDRO C[N+](C)(C1CCCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192398629 717157794 /nfs/dbraw/zinc/15/77/94/717157794.db2.gz YHMRIBMJWLCNAC-MRXNPFEDSA-N 1 0 352.296 3.573 20 30 FHEDRO N#Cc1cc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)cc(Cl)n1 ZINC001164417122 718892150 /nfs/dbraw/zinc/89/21/50/718892150.db2.gz ICDUWWFGVCXGDI-HNNXBMFYSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1Cl ZINC001164624358 719058736 /nfs/dbraw/zinc/05/87/36/719058736.db2.gz LJYHVLBHCAMJBC-APWZRJJASA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1Cl ZINC001164624360 719058824 /nfs/dbraw/zinc/05/88/24/719058824.db2.gz LJYHVLBHCAMJBC-LPHOPBHVSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cc(Cl)cnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630406 719091186 /nfs/dbraw/zinc/09/11/86/719091186.db2.gz WBUCQMHQLVHJKC-LPHOPBHVSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC001164627881 719097158 /nfs/dbraw/zinc/09/71/58/719097158.db2.gz LALSEYLOCGKNGW-NZQKXSOJSA-N 1 0 372.516 3.933 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC001164627862 719097215 /nfs/dbraw/zinc/09/72/15/719097215.db2.gz LALSEYLOCGKNGW-NFBKMPQASA-N 1 0 372.516 3.933 20 30 FHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C#N)c3ccccc3n1)[C@H]2C ZINC001164857187 721000869 /nfs/dbraw/zinc/00/08/69/721000869.db2.gz CVEAEVYCLVANSU-INIZCTEOSA-N 1 0 374.492 3.724 20 30 FHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N(C)CC3CC[NH+](C)CC3)c12 ZINC001165044536 721939400 /nfs/dbraw/zinc/93/94/00/721939400.db2.gz MMXVWAOWTAYAMU-UHFFFAOYSA-N 1 0 360.864 3.985 20 30 FHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049678 721968472 /nfs/dbraw/zinc/96/84/72/721968472.db2.gz UJKYAXMPAOOAHZ-CQSZACIVSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046263 721971605 /nfs/dbraw/zinc/97/16/05/721971605.db2.gz CFCIMFWZLHTGMZ-OAHLLOKOSA-N 1 0 368.859 3.996 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000582952305 936317939 /nfs/dbraw/zinc/31/79/39/936317939.db2.gz RNCJITDPRPOIMA-INIZCTEOSA-N 1 0 364.449 3.862 20 30 FHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc2c(s1)CCC2 ZINC000583070445 937095184 /nfs/dbraw/zinc/09/51/84/937095184.db2.gz PTXMIKKMIMTAEE-NSHDSACASA-N 1 0 374.897 3.836 20 30 FHEDRO C=CCCOCC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000650673095 937096986 /nfs/dbraw/zinc/09/69/86/937096986.db2.gz QEVZOHRXMQIOSG-JOCHJYFZSA-N 1 0 370.537 3.728 20 30 FHEDRO N#Cc1cccc(OCCC[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1 ZINC000122069773 937142660 /nfs/dbraw/zinc/14/26/60/937142660.db2.gz NPJOMFULZMKOLI-UHFFFAOYSA-N 1 0 364.445 3.628 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)cc1 ZINC000153919809 937143123 /nfs/dbraw/zinc/14/31/23/937143123.db2.gz AZJVQYACANCHKN-SFHVURJKSA-N 1 0 362.473 3.672 20 30 FHEDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000175320673 927988739 /nfs/dbraw/zinc/98/87/39/927988739.db2.gz PLVXLVXNHVIKPM-SFHVURJKSA-N 1 0 361.489 3.956 20 30 FHEDRO C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccc2)c1)C1=CC[N@H+](C)CC1 ZINC000511235221 937215831 /nfs/dbraw/zinc/21/58/31/937215831.db2.gz ZPSLOGYCZGWQQI-GOSISDBHSA-N 1 0 359.473 3.858 20 30 FHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1ccccc1 ZINC000274761066 928079012 /nfs/dbraw/zinc/07/90/12/928079012.db2.gz JRACAKPNIXHLIO-UHFFFAOYSA-O 1 0 369.510 3.721 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000583184250 937217727 /nfs/dbraw/zinc/21/77/27/937217727.db2.gz XHZMZQDPXKBCTC-QFIPXVFZSA-N 1 0 351.494 3.550 20 30 FHEDRO Cc1cccc2c1ncc(C#N)c2N1CC[NH+](CCc2ccccc2)CC1 ZINC000610211330 928109243 /nfs/dbraw/zinc/10/92/43/928109243.db2.gz NJNDSALULRYEDS-UHFFFAOYSA-N 1 0 356.473 3.780 20 30 FHEDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)c1C ZINC000610215102 928148800 /nfs/dbraw/zinc/14/88/00/928148800.db2.gz SEUBAYAQBGPFLS-UGKGYDQZSA-N 1 0 350.462 3.752 20 30 FHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000610216103 928171322 /nfs/dbraw/zinc/17/13/22/928171322.db2.gz LNOSCDVJGHDAHK-HBFSDRIKSA-N 1 0 353.510 3.843 20 30 FHEDRO C[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@@H]1c1ccccc1 ZINC000610216099 928171792 /nfs/dbraw/zinc/17/17/92/928171792.db2.gz LHALPJWTZJQHHI-ICSRJNTNSA-N 1 0 353.510 3.797 20 30 FHEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000583199211 937230180 /nfs/dbraw/zinc/23/01/80/937230180.db2.gz DCOVGMLFUGDPHO-YYWHXJBOSA-N 1 0 350.462 3.765 20 30 FHEDRO COCc1cccc2sc(=NC(=O)N3CC[NH+](C4CCCC4)CC3)[nH]c21 ZINC000329127441 937238367 /nfs/dbraw/zinc/23/83/67/937238367.db2.gz ZABUZPGVNYOTBX-UHFFFAOYSA-N 1 0 374.510 3.548 20 30 FHEDRO Oc1ccc2ccccc2c1/C=N\C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000254945415 928431067 /nfs/dbraw/zinc/43/10/67/928431067.db2.gz MFZOPNYSODSANK-LOIFMJCOSA-N 1 0 352.478 3.732 20 30 FHEDRO CC(C)c1[nH+]c(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)c2ccccn21 ZINC000583216946 937249212 /nfs/dbraw/zinc/24/92/12/937249212.db2.gz JEWOTLMTOGAEBY-FQEVSTJZSA-N 1 0 373.504 3.668 20 30 FHEDRO C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000254964563 928540817 /nfs/dbraw/zinc/54/08/17/928540817.db2.gz LLSNJRXPRYUVAJ-YLPLVBRQSA-N 1 0 374.488 3.570 20 30 FHEDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000579860776 928730322 /nfs/dbraw/zinc/73/03/22/928730322.db2.gz RSIXOHOVEPWUJW-UHFFFAOYSA-N 1 0 369.513 3.526 20 30 FHEDRO C[N@H+](CCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000547732399 929062270 /nfs/dbraw/zinc/06/22/70/929062270.db2.gz UQAWLUWTQJWDLE-UHFFFAOYSA-N 1 0 369.509 3.583 20 30 FHEDRO C=CC[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)CCc1ccccc1 ZINC000109357122 929070079 /nfs/dbraw/zinc/07/00/79/929070079.db2.gz HMMVCGDLQHOBLE-UHFFFAOYSA-N 1 0 350.462 3.949 20 30 FHEDRO Cc1nc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)sc1SCC#N ZINC000109364952 929138476 /nfs/dbraw/zinc/13/84/76/929138476.db2.gz JCDNSZRGKWKHPS-UHFFFAOYSA-N 1 0 372.519 3.915 20 30 FHEDRO C=CCc1cc(C[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)cc(OC)c1O ZINC000657747739 937311512 /nfs/dbraw/zinc/31/15/12/937311512.db2.gz RRMIBSMYHFBMNI-LEWJYISDSA-N 1 0 355.478 3.977 20 30 FHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1c(F)cc(C#N)cc1F ZINC000154781594 929276573 /nfs/dbraw/zinc/27/65/73/929276573.db2.gz PCJUJUBJAMRPOI-BEFAXECRSA-N 1 0 367.399 3.593 20 30 FHEDRO C=CCC[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000180035472 929327342 /nfs/dbraw/zinc/32/73/42/929327342.db2.gz SVSBSOLXBONROZ-WOJBJXKFSA-N 1 0 350.462 3.924 20 30 FHEDRO C=CCCCC[N@H+]1CCC[C@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001209200093 929492496 /nfs/dbraw/zinc/49/24/96/929492496.db2.gz GITKKCFYWWXDPF-JOCHJYFZSA-N 1 0 358.526 3.970 20 30 FHEDRO C=CC[NH+]1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180489510 929524690 /nfs/dbraw/zinc/52/46/90/929524690.db2.gz YAODINQYEUIMMU-NRFANRHFSA-N 1 0 351.450 3.924 20 30 FHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(CC#N)cc3)CCN2C2CC2)c1 ZINC000569627468 937344698 /nfs/dbraw/zinc/34/46/98/937344698.db2.gz KHIQDSNPCSVWNK-GOTSBHOMSA-N 1 0 361.489 3.829 20 30 FHEDRO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000728267728 929816570 /nfs/dbraw/zinc/81/65/70/929816570.db2.gz QYHICQRIXRZOGL-INIZCTEOSA-N 1 0 364.493 3.570 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123225327 929938492 /nfs/dbraw/zinc/93/84/92/929938492.db2.gz FCGNQGOAHLNXTJ-KRWDZBQOSA-N 1 0 353.510 3.664 20 30 FHEDRO COc1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)cc1C#N ZINC000135006953 929979268 /nfs/dbraw/zinc/97/92/68/929979268.db2.gz CKLUBLYAIOUUSB-UHFFFAOYSA-N 1 0 350.462 3.791 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1 ZINC000610346246 930046351 /nfs/dbraw/zinc/04/63/51/930046351.db2.gz QJEHOWBOMRKMTF-STQMWFEESA-N 1 0 372.266 3.999 20 30 FHEDRO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610345971 930048264 /nfs/dbraw/zinc/04/82/64/930048264.db2.gz FKFWSLBJQVNVQR-QWHCGFSZSA-N 1 0 357.841 3.898 20 30 FHEDRO C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000610348346 930059172 /nfs/dbraw/zinc/05/91/72/930059172.db2.gz HBIJMZPCOYBKKM-KURKYZTESA-N 1 0 356.514 3.677 20 30 FHEDRO CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000610347591 930059475 /nfs/dbraw/zinc/05/94/75/930059475.db2.gz RFQNSWJLLJUGHT-YLJYHZDGSA-N 1 0 356.514 3.675 20 30 FHEDRO C[C@@H](NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000610348339 930059704 /nfs/dbraw/zinc/05/97/04/930059704.db2.gz HBIJMZPCOYBKKM-FGTMMUONSA-N 1 0 356.514 3.677 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1nccs1)[n+]1ccc(CCC)cc1 ZINC000278219856 937380565 /nfs/dbraw/zinc/38/05/65/937380565.db2.gz JADNOWQDEVRTKF-UHFFFAOYSA-O 1 0 362.544 3.712 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000155956583 937380743 /nfs/dbraw/zinc/38/07/43/937380743.db2.gz JJGPJWBEFDXQSV-MRXNPFEDSA-N 1 0 370.522 3.806 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000278221257 937382111 /nfs/dbraw/zinc/38/21/11/937382111.db2.gz JCDZVHPNQYVUHO-UHFFFAOYSA-N 1 0 368.456 3.614 20 30 FHEDRO COc1ccccc1[C@H](C[NH2+]Cc1cc(C#N)cs1)N1CCCCC1 ZINC000177687461 930108069 /nfs/dbraw/zinc/10/80/69/930108069.db2.gz PLJVYZQVUADOOU-IBGZPJMESA-N 1 0 355.507 3.945 20 30 FHEDRO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000610360191 930124144 /nfs/dbraw/zinc/12/41/44/930124144.db2.gz VBBWXINXSBSBAE-UZLBHIALSA-N 1 0 365.452 3.787 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1Cl ZINC000161684562 937396277 /nfs/dbraw/zinc/39/62/77/937396277.db2.gz RBNIOIYHXOUDHC-CQSZACIVSA-N 1 0 370.884 3.935 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000074877128 937404084 /nfs/dbraw/zinc/40/40/84/937404084.db2.gz NBQZAUIJYCERDI-SFTDATJTSA-N 1 0 371.525 3.555 20 30 FHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=S)Nc3ccccc3C#N)C2)CC1 ZINC000748151058 930315997 /nfs/dbraw/zinc/31/59/97/930315997.db2.gz GVQJLZCFSOJSLP-QGZVFWFLSA-N 1 0 356.539 3.699 20 30 FHEDRO CCc1oc2ccccc2c1C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000611767208 937417183 /nfs/dbraw/zinc/41/71/83/937417183.db2.gz FFNMDQWBGHAWJR-YCRPNKLZSA-N 1 0 355.482 3.870 20 30 FHEDRO CCc1oc2ccccc2c1C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000611767207 937417298 /nfs/dbraw/zinc/41/72/98/937417298.db2.gz FFNMDQWBGHAWJR-VFNWGFHPSA-N 1 0 355.482 3.870 20 30 FHEDRO CCN(CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)CCC(F)(F)F ZINC000579531472 930490728 /nfs/dbraw/zinc/49/07/28/930490728.db2.gz ACUFNJGVGOUJCP-UHFFFAOYSA-N 1 0 367.337 3.941 20 30 FHEDRO C=CCC(C)(C)CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000432096075 945069837 /nfs/dbraw/zinc/06/98/37/945069837.db2.gz RVYJVLJAUVHUNJ-UHFFFAOYSA-N 1 0 359.514 3.563 20 30 FHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2)C1 ZINC000583421964 937430789 /nfs/dbraw/zinc/43/07/89/937430789.db2.gz VTYIIXWWDXRHLE-VGSWGCGISA-N 1 0 367.493 3.820 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc(C#N)cc1 ZINC000471565519 930569296 /nfs/dbraw/zinc/56/92/96/930569296.db2.gz DVXKLMCOAPYSOZ-LFUKPOHLSA-N 1 0 362.477 3.836 20 30 FHEDRO [NH3+]C[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000656195006 930572830 /nfs/dbraw/zinc/57/28/30/930572830.db2.gz RRQWTXUJUFYMCN-VIFPVBQESA-N 1 0 354.216 3.703 20 30 FHEDRO CCC(CC)(CNC(=O)c1cc(C#N)cn1C)[NH2+][C@@H](C)c1ccccc1 ZINC000471568506 930594983 /nfs/dbraw/zinc/59/49/83/930594983.db2.gz ALRDVNVVKKHFEI-INIZCTEOSA-N 1 0 352.482 3.536 20 30 FHEDRO CCC(CC)(CNC(=O)c1cc(C#N)cn1C)[NH2+][C@H](C)c1ccccc1 ZINC000471568507 930595151 /nfs/dbraw/zinc/59/51/51/930595151.db2.gz ALRDVNVVKKHFEI-MRXNPFEDSA-N 1 0 352.482 3.536 20 30 FHEDRO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1cccc(C#N)c1 ZINC000074918114 930597945 /nfs/dbraw/zinc/59/79/45/930597945.db2.gz YVRQTJQTCJASRU-AZUAARDMSA-N 1 0 368.525 3.773 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CSc4ccccc4O3)CC2)cc1 ZINC000580444686 930685648 /nfs/dbraw/zinc/68/56/48/930685648.db2.gz PTOBZHJCEWCEND-IBGZPJMESA-N 1 0 365.502 3.670 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(C#N)s3)C2)c1 ZINC000135057571 930748594 /nfs/dbraw/zinc/74/85/94/930748594.db2.gz FGVMSFGFWHTHKD-KBPBESRZSA-N 1 0 357.479 3.566 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000580548853 930839192 /nfs/dbraw/zinc/83/91/92/930839192.db2.gz OHUQVIQNBRESNH-RDJZCZTQSA-N 1 0 370.522 3.968 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175822305 930850834 /nfs/dbraw/zinc/85/08/34/930850834.db2.gz BOVRRMCDRAECCK-IRXDYDNUSA-N 1 0 372.490 3.595 20 30 FHEDRO COc1cc2nc(C)sc2cc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328747222 930889275 /nfs/dbraw/zinc/88/92/75/930889275.db2.gz LOLUQRNCEZZTDB-UHFFFAOYSA-N 1 0 360.483 3.566 20 30 FHEDRO C=CCn1c(Cc2ccccc2F)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000580603505 930913855 /nfs/dbraw/zinc/91/38/55/930913855.db2.gz HGHPWKAWGJBYLA-UHFFFAOYSA-N 1 0 371.504 3.505 20 30 FHEDRO C=C(C)[C@H](NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000548128692 931041854 /nfs/dbraw/zinc/04/18/54/931041854.db2.gz BAEGCJNZWGMCNP-KDOFPFPSSA-N 1 0 351.441 3.612 20 30 FHEDRO CN(C)c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000160615385 931074491 /nfs/dbraw/zinc/07/44/91/931074491.db2.gz KTTLDHYWRBJGMI-UHFFFAOYSA-N 1 0 352.360 3.578 20 30 FHEDRO C[NH+]1CCN(c2ccc(CNc3cccc4[nH]cc(CC#N)c43)cc2)CC1 ZINC001167437135 931281272 /nfs/dbraw/zinc/28/12/72/931281272.db2.gz MFNNLMHMRTXQAQ-UHFFFAOYSA-N 1 0 359.477 3.598 20 30 FHEDRO N#CCn1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc2ccccc21 ZINC000610468472 931361373 /nfs/dbraw/zinc/36/13/73/931361373.db2.gz RJWAONJNEKDAPO-UHFFFAOYSA-N 1 0 364.493 3.692 20 30 FHEDRO C=CCn1ncc2ccc(NC(=O)N(C)[C@H]3CC[N@@H+](CC)[C@H](C)C3)cc21 ZINC000933072969 931464222 /nfs/dbraw/zinc/46/42/22/931464222.db2.gz NKJBSWIUFHRLRQ-QAPCUYQASA-N 1 0 355.486 3.559 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610478250 931560183 /nfs/dbraw/zinc/56/01/83/931560183.db2.gz SOCKSECEGFZIFZ-UHFFFAOYSA-N 1 0 374.448 3.829 20 30 FHEDRO CC(C)(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 ZINC000156882088 931678085 /nfs/dbraw/zinc/67/80/85/931678085.db2.gz JHDZZTTVJJMACI-LJQANCHMSA-N 1 0 374.481 3.848 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000581249098 931738315 /nfs/dbraw/zinc/73/83/15/931738315.db2.gz WCYAJCVITGCROC-GOSISDBHSA-N 1 0 362.905 3.668 20 30 FHEDRO C=CCCN(C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276182846 932014536 /nfs/dbraw/zinc/01/45/36/932014536.db2.gz VTGLJAMUGMZLMR-PBHICJAKSA-N 1 0 353.869 3.689 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCOc2ccccc2C1 ZINC000077233992 932056748 /nfs/dbraw/zinc/05/67/48/932056748.db2.gz HBVNKHVKVOOQQK-INIZCTEOSA-N 1 0 356.491 3.546 20 30 FHEDRO C=CCOc1ccc(/C=C\C(=O)Nc2cccc(C[NH+](C)C)c2)cc1OC ZINC000255305661 932057415 /nfs/dbraw/zinc/05/74/15/932057415.db2.gz AOLRDSCCSMDJPA-BENRWUELSA-N 1 0 366.461 3.974 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000581504479 932177698 /nfs/dbraw/zinc/17/76/98/932177698.db2.gz LXSUFMUWXFQJKZ-MRXNPFEDSA-N 1 0 374.506 3.864 20 30 FHEDRO C[C@@H](O)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC001167473031 932293160 /nfs/dbraw/zinc/29/31/60/932293160.db2.gz DYDLEBZSGWZLED-MRXNPFEDSA-N 1 0 363.379 3.820 20 30 FHEDRO CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000477138230 932349515 /nfs/dbraw/zinc/34/95/15/932349515.db2.gz PERJWDHNTDHCSS-OAQYLSRUSA-N 1 0 355.526 3.771 20 30 FHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000157846052 932365226 /nfs/dbraw/zinc/36/52/26/932365226.db2.gz SVLKIQBXGGOEKI-UHFFFAOYSA-N 1 0 358.486 3.589 20 30 FHEDRO CCOc1cc2c(cc1NC(=O)N1CCC[C@@H]([NH+]3CCCC3)C1)O[C@H](C)C2 ZINC000328812337 932562871 /nfs/dbraw/zinc/56/28/71/932562871.db2.gz OUSGNIBQKZMKPM-NVXWUHKLSA-N 1 0 373.497 3.514 20 30 FHEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)C1 ZINC000292928985 932629057 /nfs/dbraw/zinc/62/90/57/932629057.db2.gz YVBZGTPBKDCWSQ-NFAWXSAZSA-N 1 0 363.387 3.620 20 30 FHEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@H]1CCCC(=O)N1 ZINC000328826825 932756356 /nfs/dbraw/zinc/75/63/56/932756356.db2.gz SYCYIALHXDKNPB-MSOLQXFVSA-N 1 0 357.498 3.925 20 30 FHEDRO CCc1cccc(NC(=O)CNC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000328829776 932806543 /nfs/dbraw/zinc/80/65/43/932806543.db2.gz UFDZUHLVHMEADY-UHFFFAOYSA-N 1 0 372.513 3.701 20 30 FHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178196878 932863990 /nfs/dbraw/zinc/86/39/90/932863990.db2.gz QKSDZCQRCIYUEP-AEFFLSMTSA-N 1 0 372.900 3.928 20 30 FHEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000135352355 933045495 /nfs/dbraw/zinc/04/54/95/933045495.db2.gz NUQYDBGHMDRLKZ-QFBILLFUSA-N 1 0 365.481 3.583 20 30 FHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)CSc1ccc(C#N)cc1)[NH+](C)C ZINC000510549475 933214026 /nfs/dbraw/zinc/21/40/26/933214026.db2.gz RKGMVIUCNGPRJY-KKSFZXQISA-N 1 0 367.518 3.766 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000430820082 933260262 /nfs/dbraw/zinc/26/02/62/933260262.db2.gz HRAZJRWFNGPQLQ-WOJBJXKFSA-N 1 0 373.566 3.808 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(SCC#N)c1 ZINC000430832009 933281869 /nfs/dbraw/zinc/28/18/69/933281869.db2.gz WVYMQRCFDGMACV-PKOBYXMFSA-N 1 0 359.539 3.933 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(OC)c2c(c1)OCCO2 ZINC000510634033 933324462 /nfs/dbraw/zinc/32/44/62/933324462.db2.gz OILQTBZFAXQLRT-UHFFFAOYSA-N 1 0 355.434 3.663 20 30 FHEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1 ZINC000430872687 933349767 /nfs/dbraw/zinc/34/97/67/933349767.db2.gz LEAWGLDQEAMOKZ-LJQANCHMSA-N 1 0 350.462 3.736 20 30 FHEDRO CC1(c2ccccc2)CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000510788121 933738716 /nfs/dbraw/zinc/73/87/16/933738716.db2.gz UDZQIGOMHPMHOT-UHFFFAOYSA-N 1 0 361.489 3.987 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc(OCC#N)cc1 ZINC000276891140 933881251 /nfs/dbraw/zinc/88/12/51/933881251.db2.gz HSBHACJTCLZROK-OXQOHEQNSA-N 1 0 355.482 3.563 20 30 FHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCc2cc(F)ccc2C1 ZINC000091896512 933914031 /nfs/dbraw/zinc/91/40/31/933914031.db2.gz PMHZVHHDJGQFBX-OAHLLOKOSA-N 1 0 369.415 3.658 20 30 FHEDRO CCOc1c(Br)cc(CN(CC)C[C@@H](C)C#N)cc1OC ZINC000091982569 933931548 /nfs/dbraw/zinc/93/15/48/933931548.db2.gz DKMIEHYEFKCPKZ-LBPRGKRZSA-N 1 0 355.276 3.838 20 30 FHEDRO N#Cc1csc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000092031138 933941984 /nfs/dbraw/zinc/94/19/84/933941984.db2.gz ISLIWLCNXDYRSL-UHFFFAOYSA-N 1 0 358.442 3.545 20 30 FHEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000092261607 933981349 /nfs/dbraw/zinc/98/13/49/933981349.db2.gz MJNHJSQNBZUENQ-UHFFFAOYSA-N 1 0 364.489 3.876 20 30 FHEDRO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)CCC)C2)ccc1OC ZINC000092708054 934141947 /nfs/dbraw/zinc/14/19/47/934141947.db2.gz CFFFFMCQOHLMRY-IBGZPJMESA-N 1 0 374.525 3.778 20 30 FHEDRO CC[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000510944397 934207143 /nfs/dbraw/zinc/20/71/43/934207143.db2.gz JVYPNLRDUWBTBU-VXKWHMMOSA-N 1 0 361.489 3.833 20 30 FHEDRO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc(C#N)cn3)CC1)CCC2 ZINC000610809484 934450816 /nfs/dbraw/zinc/45/08/16/934450816.db2.gz CUJUIQJUBIDPBT-OAQYLSRUSA-N 1 0 362.477 3.598 20 30 FHEDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610829685 934502143 /nfs/dbraw/zinc/50/21/43/934502143.db2.gz DVPXXUSJGDJGCL-ZIAGYGMSSA-N 1 0 352.394 3.534 20 30 FHEDRO N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000535833770 934561991 /nfs/dbraw/zinc/56/19/91/934561991.db2.gz LKOKHPXCBCOZNP-LJQANCHMSA-N 1 0 374.488 3.983 20 30 FHEDRO Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)ccc1C[NH+](C)C ZINC000458266178 934562357 /nfs/dbraw/zinc/56/23/57/934562357.db2.gz DTSSTFPWTKTASF-UHFFFAOYSA-N 1 0 353.491 3.800 20 30 FHEDRO N#CCCn1cc(C[NH2+]Cc2ccc3c(c2)COC3)c(-c2ccccc2)n1 ZINC000610898837 934573527 /nfs/dbraw/zinc/57/35/27/934573527.db2.gz KESKGPVWROYDHJ-UHFFFAOYSA-N 1 0 358.445 3.784 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610905850 934608101 /nfs/dbraw/zinc/60/81/01/934608101.db2.gz AUOWCMYSMOJGOY-IBGZPJMESA-N 1 0 362.477 3.900 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000610933068 934633610 /nfs/dbraw/zinc/63/36/10/934633610.db2.gz XWHPHWFMZDTGJJ-UTKZUKDTSA-N 1 0 359.473 3.542 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000181309007 934645353 /nfs/dbraw/zinc/64/53/53/934645353.db2.gz ARNACKCGSAMEIV-AWEZNQCLSA-N 1 0 369.431 3.586 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000535872524 934669455 /nfs/dbraw/zinc/66/94/55/934669455.db2.gz ZTSKISMLDGMNBZ-KRWDZBQOSA-N 1 0 360.523 3.652 20 30 FHEDRO N#Cc1cc(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)ccn1 ZINC000610993470 934730100 /nfs/dbraw/zinc/73/01/00/934730100.db2.gz PIWOQHVYVMFIQA-MRXNPFEDSA-N 1 0 363.396 3.522 20 30 FHEDRO C=CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000236663811 934761540 /nfs/dbraw/zinc/76/15/40/934761540.db2.gz CZXOZSNHSFZVTR-UHFFFAOYSA-N 1 0 373.504 3.674 20 30 FHEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000538278402 934824054 /nfs/dbraw/zinc/82/40/54/934824054.db2.gz WVDXVOAAFFMKJC-RXVVDRJESA-N 1 0 368.477 3.684 20 30 FHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(C#N)ccc1C ZINC000084319981 934827189 /nfs/dbraw/zinc/82/71/89/934827189.db2.gz YFQOKQDMUMLMSU-UHFFFAOYSA-N 1 0 370.419 3.995 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)ccc1OC ZINC000080343417 934861259 /nfs/dbraw/zinc/86/12/59/934861259.db2.gz HTCYJMDQSFWDEX-VWLOTQADSA-N 1 0 359.491 3.677 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000119527961 934864789 /nfs/dbraw/zinc/86/47/89/934864789.db2.gz QRAVQTLTUUSWTB-UHFFFAOYSA-N 1 0 361.489 3.851 20 30 FHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431286646 934882478 /nfs/dbraw/zinc/88/24/78/934882478.db2.gz ZFMMVEVMLNVTHL-QWFCFKBJSA-N 1 0 356.514 3.841 20 30 FHEDRO CC[NH+]1CCC(CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000431293674 934903630 /nfs/dbraw/zinc/90/36/30/934903630.db2.gz GCCUIFXMWZYDGB-FQEVSTJZSA-N 1 0 356.514 3.843 20 30 FHEDRO CC1(C#N)CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000611562734 934912670 /nfs/dbraw/zinc/91/26/70/934912670.db2.gz YTSPEJHWAXUOSE-LJQANCHMSA-N 1 0 354.498 3.549 20 30 FHEDRO C#Cc1cccc(NC(=S)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000728445950 934948698 /nfs/dbraw/zinc/94/86/98/934948698.db2.gz NZGHIRWFVRKLSK-LJQANCHMSA-N 1 0 355.551 3.953 20 30 FHEDRO N#Cc1ccc(F)c(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)c1 ZINC000538946317 934971181 /nfs/dbraw/zinc/97/11/81/934971181.db2.gz XBBXMIOZMOJMSH-UHFFFAOYSA-N 1 0 350.393 3.758 20 30 FHEDRO C#CCOCC[N@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC001167512423 935063148 /nfs/dbraw/zinc/06/31/48/935063148.db2.gz MSNURJQTJDHVKM-NRFANRHFSA-N 1 0 351.446 3.671 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(C#N)CC1)c1ccccc1Cl ZINC000105082403 935063425 /nfs/dbraw/zinc/06/34/25/935063425.db2.gz NUFCRGAOXPOTHZ-GOSISDBHSA-N 1 0 362.905 3.668 20 30 FHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000157542310 935089039 /nfs/dbraw/zinc/08/90/39/935089039.db2.gz QZLYHZDORDLUFF-LBPRGKRZSA-N 1 0 373.888 3.761 20 30 FHEDRO C=CCCn1cc(CNCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nn1 ZINC000657313150 935116578 /nfs/dbraw/zinc/11/65/78/935116578.db2.gz GJHAHQGAXMMQJE-RTBURBONSA-N 1 0 367.541 3.622 20 30 FHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000516639788 945079461 /nfs/dbraw/zinc/07/94/61/945079461.db2.gz UGNQKGBZDMAFCO-CQSZACIVSA-N 1 0 356.857 3.854 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000051423035 935221473 /nfs/dbraw/zinc/22/14/73/935221473.db2.gz RRFPEUILWUSTBX-YADHBBJMSA-N 1 0 364.489 3.590 20 30 FHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cn2ccccc2n1 ZINC000551288113 935240742 /nfs/dbraw/zinc/24/07/42/935240742.db2.gz JATGFLUOWKMFTR-ZLPCBKJTSA-N 1 0 361.449 3.642 20 30 FHEDRO C=CCCn1cc(CNCc2cccc(C[NH+]3CCCCCC3)c2)nn1 ZINC000657337858 935266312 /nfs/dbraw/zinc/26/63/12/935266312.db2.gz DDXHDUVKIWXVPL-UHFFFAOYSA-N 1 0 353.514 3.520 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(CO)c1 ZINC000121774894 935310241 /nfs/dbraw/zinc/31/02/41/935310241.db2.gz BBAYRVFSQBDGMK-BEFAXECRSA-N 1 0 353.441 3.509 20 30 FHEDRO N#CCc1ccc(CNC(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000892203246 935328056 /nfs/dbraw/zinc/32/80/56/935328056.db2.gz VJNQYNFNUMMGPT-CTNGQTDRSA-N 1 0 368.525 3.582 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)N2CCC(CCC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000516647581 945094581 /nfs/dbraw/zinc/09/45/81/945094581.db2.gz WDFXEIGTKCIMMU-RXVVDRJESA-N 1 0 368.525 3.765 20 30 FHEDRO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccc(C#N)c1 ZINC000551964535 935385275 /nfs/dbraw/zinc/38/52/75/935385275.db2.gz LIMGDQIHESAYCX-IBGZPJMESA-N 1 0 369.415 3.678 20 30 FHEDRO CC(C)[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000507272119 945097540 /nfs/dbraw/zinc/09/75/40/945097540.db2.gz JXJITDFHDWSUEW-MOPGFXCFSA-N 1 0 355.869 3.767 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000582208246 935398209 /nfs/dbraw/zinc/39/82/09/935398209.db2.gz NIFJZQLJZBUVTH-GOEBONIOSA-N 1 0 373.522 3.597 20 30 FHEDRO C=CCC[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000427143254 945121209 /nfs/dbraw/zinc/12/12/09/945121209.db2.gz HSLVYTKDLGDHPZ-SBHAEUEKSA-N 1 0 358.526 3.742 20 30 FHEDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1Br ZINC000511145872 935786666 /nfs/dbraw/zinc/78/66/66/935786666.db2.gz WUJZJLHBLOOQGK-UHFFFAOYSA-N 1 0 374.238 3.903 20 30 FHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000437195162 945126481 /nfs/dbraw/zinc/12/64/81/945126481.db2.gz QKKBWHZQPVPLRF-NRFANRHFSA-N 1 0 362.477 3.858 20 30 FHEDRO C[N@H+](CCCc1ccccc1)CC(=O)Nc1ccccc1SCC#N ZINC000052802579 935827126 /nfs/dbraw/zinc/82/71/26/935827126.db2.gz UVSZQQNFFOZFTO-UHFFFAOYSA-N 1 0 353.491 3.805 20 30 FHEDRO COc1ccc(CN2CCC(CCC#N)CC2)c(Br)c1O ZINC000582607019 935865411 /nfs/dbraw/zinc/86/54/11/935865411.db2.gz KBRWNVHRHXLWLE-UHFFFAOYSA-N 1 0 353.260 3.679 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCOC2)cc1OC ZINC000237243435 935865441 /nfs/dbraw/zinc/86/54/41/935865441.db2.gz QHNSXEXGSQSJAT-ZDUSSCGKSA-N 1 0 370.287 3.539 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000479679889 935876314 /nfs/dbraw/zinc/87/63/14/935876314.db2.gz WCAWHIBMAGFRIX-QGZVFWFLSA-N 1 0 354.498 3.501 20 30 FHEDRO CCN1CCC[C@@H](C[N@H+](C)CCCCC(C)(C)C#N)[C@@H]1c1cnn(C)c1 ZINC000375726446 935914557 /nfs/dbraw/zinc/91/45/57/935914557.db2.gz WHMPKVOBKVGRGB-AZUAARDMSA-N 1 0 359.562 3.845 20 30 FHEDRO C=CCCC[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472242364 935943044 /nfs/dbraw/zinc/94/30/44/935943044.db2.gz PJZYKMLONFCPKP-UHFFFAOYSA-N 1 0 368.481 3.845 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCc1cccc2ccccc21 ZINC000507319739 945140989 /nfs/dbraw/zinc/14/09/89/945140989.db2.gz POFDJGULMJGZMI-HTAPYJJXSA-N 1 0 351.494 3.757 20 30 FHEDRO Fc1ccc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)cc1C(F)(F)F ZINC000657549865 936009779 /nfs/dbraw/zinc/00/97/79/936009779.db2.gz LAZWLWUIHFNRMD-UHFFFAOYSA-N 1 0 353.241 3.943 20 30 FHEDRO C[C@@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CCCCC1 ZINC000728517183 936010682 /nfs/dbraw/zinc/01/06/82/936010682.db2.gz IFWAKAOAVMBFRC-KRWDZBQOSA-N 1 0 363.461 3.955 20 30 FHEDRO C=CCc1ccc(OCC(=O)Nc2ccc(CC[NH+](C)C)cc2)c(OC)c1 ZINC000076159226 936023724 /nfs/dbraw/zinc/02/37/24/936023724.db2.gz FKJUHJNDXRHXBG-UHFFFAOYSA-N 1 0 368.477 3.545 20 30 FHEDRO C=C1CC[NH+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000472256349 936077537 /nfs/dbraw/zinc/07/75/37/936077537.db2.gz JAMLXEXTBBIHJZ-UHFFFAOYSA-N 1 0 366.465 3.599 20 30 FHEDRO CN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000582753688 936078657 /nfs/dbraw/zinc/07/86/57/936078657.db2.gz CUHHFGGAISATHI-IBGZPJMESA-N 1 0 366.440 3.826 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)ccc1OC ZINC000657598025 936081203 /nfs/dbraw/zinc/08/12/03/936081203.db2.gz HDOFEWQQPXCLBR-RBUKOAKNSA-N 1 0 372.509 3.673 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)F)c(NCc3ccnc(N)c3)nn2)c1 ZINC001167617712 936125488 /nfs/dbraw/zinc/12/54/88/936125488.db2.gz XEVSKQNHTPABQM-UHFFFAOYSA-N 1 0 370.338 3.623 20 30 FHEDRO C=CCC1([NH2+]Cc2cc(OC)c(OC)cc2Br)CCOCC1 ZINC000657632838 936128440 /nfs/dbraw/zinc/12/84/40/936128440.db2.gz NTARSVBPLSFYFZ-UHFFFAOYSA-N 1 0 370.287 3.681 20 30 FHEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000046529349 936128742 /nfs/dbraw/zinc/12/87/42/936128742.db2.gz GUKODSILIRJVGI-HNNXBMFYSA-N 1 0 365.260 3.737 20 30 FHEDRO CC[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000472261030 936133067 /nfs/dbraw/zinc/13/30/67/936133067.db2.gz PXHNXIVPXAFMKM-RBBKRZOGSA-N 1 0 361.489 3.690 20 30 FHEDRO N#CC1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCC1 ZINC000119990939 936173913 /nfs/dbraw/zinc/17/39/13/936173913.db2.gz LMRVZPSCZLDYLU-UHFFFAOYSA-N 1 0 368.481 3.524 20 30 FHEDRO COc1ccc(/C=C\C(=O)c2ccc(-n3ccnc3C)cc2)cc1[N+](=O)[O-] ZINC000255556279 936185327 /nfs/dbraw/zinc/18/53/27/936185327.db2.gz QNSAMXFEBKTLTE-OQFOIZHKSA-N 1 0 363.373 3.994 20 30 FHEDRO N#Cc1ccsc1NC(=O)CN1CCC[C@H]1Cc1ccccc1Cl ZINC000140543353 945158095 /nfs/dbraw/zinc/15/80/95/945158095.db2.gz LJBHDXCKXGLTDF-HNNXBMFYSA-N 1 0 359.882 3.919 20 30 FHEDRO C=C(C)[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000511804307 945161105 /nfs/dbraw/zinc/16/11/05/945161105.db2.gz CTKOYPGOKDZTDG-UXHICEINSA-N 1 0 358.526 3.775 20 30 FHEDRO CCc1nc2c(s1)[C@H]([NH2+]C1CCN(c3ccc(C#N)cn3)CC1)CCC2 ZINC000161707490 938279458 /nfs/dbraw/zinc/27/94/58/938279458.db2.gz CSBJFFKVTOHWPD-MRXNPFEDSA-N 1 0 367.522 3.608 20 30 FHEDRO N#CCc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000600965063 938280349 /nfs/dbraw/zinc/28/03/49/938280349.db2.gz JTDOEFIZXSQCAO-UHFFFAOYSA-N 1 0 367.880 3.800 20 30 FHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329220763 938292950 /nfs/dbraw/zinc/29/29/50/938292950.db2.gz UCFGDVLJXMJNGQ-ZIAGYGMSSA-N 1 0 361.442 3.613 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000156976614 938299955 /nfs/dbraw/zinc/29/99/55/938299955.db2.gz NXKNQEGWQNROAN-UZLBHIALSA-N 1 0 366.509 3.968 20 30 FHEDRO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Cl ZINC000650723752 938310877 /nfs/dbraw/zinc/31/08/77/938310877.db2.gz SWJFRXYEXASULZ-POAQFYNOSA-N 1 0 364.917 3.766 20 30 FHEDRO C#CCOc1ccccc1CNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246475556 938366316 /nfs/dbraw/zinc/36/63/16/938366316.db2.gz WNSYONTYJZGCKK-RXVVDRJESA-N 1 0 354.519 3.933 20 30 FHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246465914 938367548 /nfs/dbraw/zinc/36/75/48/938367548.db2.gz OGPKRHWJBQAEGO-QZTJIDSGSA-N 1 0 357.450 3.941 20 30 FHEDRO CCC(=O)N1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000329400194 938387246 /nfs/dbraw/zinc/38/72/46/938387246.db2.gz VTWQVRNXFAFYCX-GOSISDBHSA-N 1 0 363.546 3.923 20 30 FHEDRO COc1ccccc1-n1nccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000583742565 938388668 /nfs/dbraw/zinc/38/86/68/938388668.db2.gz GBWMZWDXYSQMAD-FQEVSTJZSA-N 1 0 358.445 3.920 20 30 FHEDRO C=C(C)[C@@H](NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000458675388 938410270 /nfs/dbraw/zinc/41/02/70/938410270.db2.gz OQQLXNFREXKSNC-KBXCAEBGSA-N 1 0 351.441 3.613 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)c(F)c1 ZINC000458685191 938424226 /nfs/dbraw/zinc/42/42/26/938424226.db2.gz WBCQXEAIWRDEPU-AZUAARDMSA-N 1 0 363.452 3.709 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCNc2ncc(Cl)cc2Cl)cc1 ZINC000176798202 938438702 /nfs/dbraw/zinc/43/87/02/938438702.db2.gz IHXPOBZJJLMZCZ-GFCCVEGCSA-N 1 0 365.264 3.881 20 30 FHEDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000583843764 938447283 /nfs/dbraw/zinc/44/72/83/938447283.db2.gz CYCWVXWMQUKHPT-GOSISDBHSA-N 1 0 364.367 3.751 20 30 FHEDRO Cn1cc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1C#N ZINC000278461520 938452315 /nfs/dbraw/zinc/45/23/15/938452315.db2.gz FBACESYRMOLNFF-UHFFFAOYSA-N 1 0 363.383 3.711 20 30 FHEDRO COc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000052635599 938457978 /nfs/dbraw/zinc/45/79/78/938457978.db2.gz JZZWRJZOUAQZFY-FQEVSTJZSA-N 1 0 364.449 3.525 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000152733711 938466614 /nfs/dbraw/zinc/46/66/14/938466614.db2.gz KEGDJKNPKYZXCG-KRWDZBQOSA-N 1 0 359.491 3.512 20 30 FHEDRO C=C[C@H](CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000536159889 938476533 /nfs/dbraw/zinc/47/65/33/938476533.db2.gz GXRIAXUKSRXYBN-HXUWFJFHSA-N 1 0 363.505 3.732 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1C#N ZINC000178998337 938477878 /nfs/dbraw/zinc/47/78/78/938477878.db2.gz BFGARSUKCLKQBG-UHFFFAOYSA-N 1 0 370.497 3.828 20 30 FHEDRO C[C@@H](NC(=O)Cc1cccc2cccnc21)C1([NH+]2CCOCC2)CCCC1 ZINC000329618750 938544327 /nfs/dbraw/zinc/54/43/27/938544327.db2.gz GFRCISLHENCDIC-QGZVFWFLSA-N 1 0 367.493 3.767 20 30 FHEDRO C[C@H](NC(=O)Cc1cccc2cccnc21)C1([NH+]2CCOCC2)CCCC1 ZINC000329618747 938544342 /nfs/dbraw/zinc/54/43/42/938544342.db2.gz GFRCISLHENCDIC-KRWDZBQOSA-N 1 0 367.493 3.767 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000519168332 945186704 /nfs/dbraw/zinc/18/67/04/945186704.db2.gz WSALBDSFPWFYNA-XLWVJDPXSA-N 1 0 365.930 3.909 20 30 FHEDRO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000329643554 938570544 /nfs/dbraw/zinc/57/05/44/938570544.db2.gz IYBLIVNGEYOKJC-RDJZCZTQSA-N 1 0 355.482 3.912 20 30 FHEDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000329674712 938603370 /nfs/dbraw/zinc/60/33/70/938603370.db2.gz VNEVXWCFZAFKNN-LTDCPUDJSA-N 1 0 355.482 3.629 20 30 FHEDRO N#CCSCCC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278645524 938613344 /nfs/dbraw/zinc/61/33/44/938613344.db2.gz HDEIJZSCRIQHOU-UHFFFAOYSA-N 1 0 358.429 3.636 20 30 FHEDRO CC(C)(C)n1cc(C#N)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000278671751 938639481 /nfs/dbraw/zinc/63/94/81/938639481.db2.gz BLRBGCMDRRGFPC-UHFFFAOYSA-N 1 0 365.481 3.748 20 30 FHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000519193973 945192711 /nfs/dbraw/zinc/19/27/11/945192711.db2.gz JCNNSJRBIPDLJH-UHFFFAOYSA-N 1 0 359.351 3.794 20 30 FHEDRO CC(C)(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000134870703 938657299 /nfs/dbraw/zinc/65/72/99/938657299.db2.gz YCOLJDJMPGVSJJ-HXUWFJFHSA-N 1 0 370.468 3.932 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000458797720 938662356 /nfs/dbraw/zinc/66/23/56/938662356.db2.gz GPLVCLBPWVYEKA-PMACEKPBSA-N 1 0 354.498 3.691 20 30 FHEDRO N#CCCn1cc(C[NH2+]CCSc2ccccc2)c(-c2ccncc2)n1 ZINC000278715206 938677927 /nfs/dbraw/zinc/67/79/27/938677927.db2.gz SCRAXRDTHJKBLL-UHFFFAOYSA-N 1 0 363.490 3.741 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000584350784 938696251 /nfs/dbraw/zinc/69/62/51/938696251.db2.gz CMPRILVLNOSQBB-GJZGRUSLSA-N 1 0 352.438 3.906 20 30 FHEDRO CC[N@H+](CCNC(=O)c1cc(F)cc(C(F)(F)F)c1)CCC(F)(F)F ZINC000427210684 945202897 /nfs/dbraw/zinc/20/28/97/945202897.db2.gz SQMGZUOVOVFFHS-UHFFFAOYSA-N 1 0 374.300 3.849 20 30 FHEDRO CCS[C@H](C)c1noc(CN(C)CCCOc2cccc(C#N)c2)n1 ZINC000128164023 938789164 /nfs/dbraw/zinc/78/91/64/938789164.db2.gz APBHMSNJVFHBSS-CQSZACIVSA-N 1 0 360.483 3.656 20 30 FHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1ccccc1 ZINC000053048227 938851942 /nfs/dbraw/zinc/85/19/42/938851942.db2.gz CJJCDQUYBYVRPD-UHFFFAOYSA-N 1 0 353.491 3.612 20 30 FHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458799776 938943622 /nfs/dbraw/zinc/94/36/22/938943622.db2.gz KEWOQOPGRZRALN-HSALFYBXSA-N 1 0 354.498 3.690 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000458801134 938945463 /nfs/dbraw/zinc/94/54/63/938945463.db2.gz MRJQDOBIXHYIRS-HXUWFJFHSA-N 1 0 354.498 3.691 20 30 FHEDRO C[NH+]1CCC2(CCCN2C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458800422 938948034 /nfs/dbraw/zinc/94/80/34/938948034.db2.gz LDSGEWVAXSZBBQ-LJQANCHMSA-N 1 0 354.498 3.691 20 30 FHEDRO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3cc(C#N)cs3)c2)n1 ZINC000480472165 938957055 /nfs/dbraw/zinc/95/70/55/938957055.db2.gz HTFPAKNIEOQSFK-UHFFFAOYSA-N 1 0 369.471 3.820 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](COC)Cc1ccccc1 ZINC000472327143 938971808 /nfs/dbraw/zinc/97/18/08/938971808.db2.gz LRHRRNDSFMGLCR-SFHVURJKSA-N 1 0 371.506 3.528 20 30 FHEDRO CCc1c(C)sc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001125718265 938977360 /nfs/dbraw/zinc/97/73/60/938977360.db2.gz VXMVNFXJZCVKHU-INIZCTEOSA-N 1 0 353.491 3.951 20 30 FHEDRO C=C(C)COc1cc(C[N@H+]2CCCC[C@H]2CCC(=O)NC)ccc1OC ZINC000685446998 938987573 /nfs/dbraw/zinc/98/75/73/938987573.db2.gz BFRBWYICJFJLAY-SFHVURJKSA-N 1 0 360.498 3.531 20 30 FHEDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000611938305 938993531 /nfs/dbraw/zinc/99/35/31/938993531.db2.gz CRALDGBPLQJQBT-INIZCTEOSA-N 1 0 370.884 3.949 20 30 FHEDRO C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000685545173 938998561 /nfs/dbraw/zinc/99/85/61/938998561.db2.gz OFUZPUPMGKFFHR-FQEVSTJZSA-N 1 0 365.525 3.832 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000657944545 939010405 /nfs/dbraw/zinc/01/04/05/939010405.db2.gz OMEZJQPVYXBMRY-WIYYLYMNSA-N 1 0 355.526 3.931 20 30 FHEDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000166955057 939014355 /nfs/dbraw/zinc/01/43/55/939014355.db2.gz QVPYPHJOPLLQNT-MRXNPFEDSA-N 1 0 350.422 3.567 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)cc1 ZINC000176986550 939026225 /nfs/dbraw/zinc/02/62/25/939026225.db2.gz ZOXLHIGUCUYHHM-OAHLLOKOSA-N 1 0 369.431 3.731 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000519218467 945225513 /nfs/dbraw/zinc/22/55/13/945225513.db2.gz QMJHNYJBVMSDNS-IBGZPJMESA-N 1 0 356.510 3.736 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000612115621 939081681 /nfs/dbraw/zinc/08/16/81/939081681.db2.gz PRMYUAQCWDQKAB-QFIPXVFZSA-N 1 0 368.525 3.898 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000612118555 939084593 /nfs/dbraw/zinc/08/45/93/939084593.db2.gz AVQMABUQMAMLFL-BBRMVZONSA-N 1 0 364.367 3.668 20 30 FHEDRO N#Cc1cccc(CC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612132051 939117033 /nfs/dbraw/zinc/11/70/33/939117033.db2.gz QLDZZIYYEFOETM-DNVJHFABSA-N 1 0 373.500 3.518 20 30 FHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)c1cccc(C#N)c1 ZINC000074917862 939188333 /nfs/dbraw/zinc/18/83/33/939188333.db2.gz NTUAVHGGIHONBO-INIZCTEOSA-N 1 0 368.456 3.532 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000612192785 939220003 /nfs/dbraw/zinc/22/00/03/939220003.db2.gz CQTRAQMVPAYWPV-UHFFFAOYSA-N 1 0 351.494 3.906 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCN(c2cc(Br)c(C#N)cc2F)C1 ZINC000516784335 945237509 /nfs/dbraw/zinc/23/75/09/945237509.db2.gz MDJQKAUFZLITOM-GFCCVEGCSA-N 1 0 354.267 3.628 20 30 FHEDRO C=CCOc1cccc(C[N@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)c1 ZINC000506444145 945239678 /nfs/dbraw/zinc/23/96/78/945239678.db2.gz JVBGDDHOSVSMLY-UHFFFAOYSA-N 1 0 364.489 3.908 20 30 FHEDRO CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000507462401 945250361 /nfs/dbraw/zinc/25/03/61/945250361.db2.gz DKVCZVKQLCZGGZ-OXQOHEQNSA-N 1 0 365.452 3.995 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@]3(CCCc4ccccc43)C2)CC1 ZINC000440162756 945272341 /nfs/dbraw/zinc/27/23/41/945272341.db2.gz SQIHLHXTBJNRSL-HSZRJFAPSA-N 1 0 367.537 3.717 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccccc2C#N)[C@H]1c1cccs1 ZINC000255841911 939911768 /nfs/dbraw/zinc/91/17/68/939911768.db2.gz QUORSUDELIHDKQ-VJZRLWATSA-N 1 0 365.502 3.832 20 30 FHEDRO C#CCCOc1ccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000179762580 939932191 /nfs/dbraw/zinc/93/21/91/939932191.db2.gz QTTYYIWJTQXHPI-UHFFFAOYSA-N 1 0 364.489 3.557 20 30 FHEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000278786768 939935648 /nfs/dbraw/zinc/93/56/48/939935648.db2.gz NWKNUWHSHUQRBQ-MRXNPFEDSA-N 1 0 357.498 3.715 20 30 FHEDRO COc1ccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc3c(c2)CCO3)cc1 ZINC000364504360 939953900 /nfs/dbraw/zinc/95/39/00/939953900.db2.gz OIEFMVBTBZJJSI-QHCPKHFHSA-N 1 0 373.456 3.719 20 30 FHEDRO COc1cc(C#N)ccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000364598768 939970218 /nfs/dbraw/zinc/97/02/18/939970218.db2.gz KATNWUFBBOSZAB-BCDXTJNWSA-N 1 0 371.481 3.587 20 30 FHEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000413658141 939981164 /nfs/dbraw/zinc/98/11/64/939981164.db2.gz PFFGHKWBKZEXSE-NRFANRHFSA-N 1 0 364.493 3.783 20 30 FHEDRO N#Cc1ccc(CCC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000375894934 940028287 /nfs/dbraw/zinc/02/82/87/940028287.db2.gz HWESQKLZFZRHTN-XMMPIXPASA-N 1 0 373.500 3.615 20 30 FHEDRO CCCN(CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccc(C#N)cc1 ZINC000136583406 940039377 /nfs/dbraw/zinc/03/93/77/940039377.db2.gz CEWVUIYHRJYGCW-UHFFFAOYSA-N 1 0 371.510 3.558 20 30 FHEDRO COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000329943737 940039929 /nfs/dbraw/zinc/03/99/29/940039929.db2.gz HXBXOMPDUOTOSW-RYGJVYDSSA-N 1 0 368.481 3.766 20 30 FHEDRO Cc1nc2c(cccc2C(=O)NCC2([NH+]3CCSCC3)CCCC2)o1 ZINC000329952759 940096260 /nfs/dbraw/zinc/09/62/60/940096260.db2.gz MWQFCMFNVWAJLW-UHFFFAOYSA-N 1 0 359.495 3.802 20 30 FHEDRO CC(C)c1nnc([C@@H]2CC23CC[NH+](Cc2ccc(C#N)c(F)c2)CC3)o1 ZINC000365264554 940101685 /nfs/dbraw/zinc/10/16/85/940101685.db2.gz VEFIJPYISMZDCN-INIZCTEOSA-N 1 0 354.429 3.973 20 30 FHEDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000365309957 940120643 /nfs/dbraw/zinc/12/06/43/940120643.db2.gz LWQVIVDCFYAKHQ-LJQANCHMSA-N 1 0 364.493 3.522 20 30 FHEDRO Cn1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179925233 940132742 /nfs/dbraw/zinc/13/27/42/940132742.db2.gz JGZQMIOUSKIKEJ-UHFFFAOYSA-N 1 0 367.456 3.995 20 30 FHEDRO C[NH+](C)CCCOC1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000570206234 940200012 /nfs/dbraw/zinc/20/00/12/940200012.db2.gz FAHGNKWKMOKPSY-UHFFFAOYSA-N 1 0 372.900 3.697 20 30 FHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(F)c(C#N)c3)ccc2NC1=O ZINC000180008376 940221389 /nfs/dbraw/zinc/22/13/89/940221389.db2.gz AVMWLWIXSPJENM-KPZWWZAWSA-N 1 0 353.397 3.658 20 30 FHEDRO CCC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C[C@H]1CCCCO1 ZINC000570352162 940263146 /nfs/dbraw/zinc/26/31/46/940263146.db2.gz FDOLQBPVPWKPLG-OAQYLSRUSA-N 1 0 371.525 3.831 20 30 FHEDRO Cn1cc(C[NH2+]CCOc2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180033591 940296952 /nfs/dbraw/zinc/29/69/52/940296952.db2.gz MTYVYBWOEPLBPI-UHFFFAOYSA-N 1 0 366.852 3.781 20 30 FHEDRO N#Cc1ccc(NCc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cc1 ZINC000612912424 940337417 /nfs/dbraw/zinc/33/74/17/940337417.db2.gz LHSIRGVWOVBQOZ-UHFFFAOYSA-N 1 0 359.433 3.816 20 30 FHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000579958097 940424740 /nfs/dbraw/zinc/42/47/40/940424740.db2.gz QUWFYIAXTWPYFN-MJGOQNOKSA-N 1 0 370.840 3.655 20 30 FHEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000310701036 940451238 /nfs/dbraw/zinc/45/12/38/940451238.db2.gz FTPGRLPEMUIKBR-RCCFBDPRSA-N 1 0 352.519 3.737 20 30 FHEDRO COCCOc1ccc(C#N)cc1NCc1[nH+]c(C(C)C)n2ccccc12 ZINC000580083194 940452665 /nfs/dbraw/zinc/45/26/65/940452665.db2.gz JHGQYVIRVDLZMY-UHFFFAOYSA-N 1 0 364.449 3.967 20 30 FHEDRO C[C@@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000580281065 940471747 /nfs/dbraw/zinc/47/17/47/940471747.db2.gz DCEZHQWSUIAUHH-HRAATJIYSA-N 1 0 373.456 3.626 20 30 FHEDRO CN1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580486254 940476764 /nfs/dbraw/zinc/47/67/64/940476764.db2.gz WJRUPWHGZVBJTP-UXHICEINSA-N 1 0 373.859 3.765 20 30 FHEDRO C[C@H]1CCC[C@@](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)(N(C)C)C1 ZINC000180104080 940482014 /nfs/dbraw/zinc/48/20/14/940482014.db2.gz LUUVOCXJYKJPHO-HTAPYJJXSA-N 1 0 365.525 3.559 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)Cc1cncn1Cc1ccccc1 ZINC000431785849 940500909 /nfs/dbraw/zinc/50/09/09/940500909.db2.gz QAYYLUWEHXWPKZ-UHFFFAOYSA-N 1 0 359.473 3.731 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660628528 945326663 /nfs/dbraw/zinc/32/66/63/945326663.db2.gz UZMIOLYOSFCVNQ-ROUUACIJSA-N 1 0 369.534 3.926 20 30 FHEDRO CN(CCOCc1ccc(C#N)cc1)Cc1coc(-c2cccs2)n1 ZINC000581630812 940508951 /nfs/dbraw/zinc/50/89/51/940508951.db2.gz FBDBKTVQAIUVSV-UHFFFAOYSA-N 1 0 353.447 3.923 20 30 FHEDRO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000431807992 940622339 /nfs/dbraw/zinc/62/23/39/940622339.db2.gz AAXVRDUBDHABGH-NRFANRHFSA-N 1 0 364.493 3.983 20 30 FHEDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000151369211 945338035 /nfs/dbraw/zinc/33/80/35/945338035.db2.gz LVJOPGPPJBXUMR-CYBMUJFWSA-N 1 0 372.266 3.828 20 30 FHEDRO CC[C@H]1CN(c2c(C#N)nnc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000582270747 940662961 /nfs/dbraw/zinc/66/29/61/940662961.db2.gz RDHKMUFBBPMGKM-SFHVURJKSA-N 1 0 357.461 3.602 20 30 FHEDRO COc1ccc(Cl)cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180146363 940694825 /nfs/dbraw/zinc/69/48/25/940694825.db2.gz ZJVVDQVOPOLVIJ-UHFFFAOYSA-N 1 0 366.852 3.911 20 30 FHEDRO N#Cc1ccccc1CSCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000180159296 940720580 /nfs/dbraw/zinc/72/05/80/940720580.db2.gz CTAPYJQLZBAGEW-UHFFFAOYSA-N 1 0 371.472 3.798 20 30 FHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COCc1cccs1)c1ccc(F)c(F)c1 ZINC000187791572 940732549 /nfs/dbraw/zinc/73/25/49/940732549.db2.gz ZXMMXIXZMNOSRL-KBXCAEBGSA-N 1 0 353.434 3.811 20 30 FHEDRO CCc1ccccc1N1C[C@H](C(=O)NC2CC([NH+]3CCCCC3)C2)CC1=O ZINC000330075551 945346414 /nfs/dbraw/zinc/34/64/14/945346414.db2.gz DJDGXWIVGQBVOZ-LMDPOFIKSA-N 1 0 369.509 3.575 20 30 FHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000414205312 940764051 /nfs/dbraw/zinc/76/40/51/940764051.db2.gz CNRLBFFCGFUGEA-ZDUSSCGKSA-N 1 0 362.882 3.856 20 30 FHEDRO C=CC1CC[NH+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000174788589 940776214 /nfs/dbraw/zinc/77/62/14/940776214.db2.gz ZPDIQKDURSGWHK-UHFFFAOYSA-N 1 0 352.862 3.584 20 30 FHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000330085492 945350551 /nfs/dbraw/zinc/35/05/51/945350551.db2.gz RJHUIUJLVGDQOU-FUHWJXTLSA-N 1 0 352.862 3.588 20 30 FHEDRO CCOCCC1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCC1 ZINC000180301286 940938606 /nfs/dbraw/zinc/93/86/06/940938606.db2.gz JDVIOZNJBAZELX-UHFFFAOYSA-N 1 0 352.482 3.645 20 30 FHEDRO C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000658977786 940965261 /nfs/dbraw/zinc/96/52/61/940965261.db2.gz IPZXTJYYKACURV-UHFFFAOYSA-N 1 0 371.525 3.515 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000176325741 941022583 /nfs/dbraw/zinc/02/25/83/941022583.db2.gz JXOAVOBKFXQMGJ-UHFFFAOYSA-N 1 0 357.483 3.509 20 30 FHEDRO N#Cc1c(Cl)cc(Br)cc1-n1nc(C[NH3+])c2ccccc21 ZINC001167698414 941025153 /nfs/dbraw/zinc/02/51/53/941025153.db2.gz VUPHGTACZXPAAU-UHFFFAOYSA-N 1 0 361.630 3.772 20 30 FHEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000414350503 941028029 /nfs/dbraw/zinc/02/80/29/941028029.db2.gz LMMTVAVDJJBNGY-KSSFIOAISA-N 1 0 362.315 3.695 20 30 FHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000181147534 941109040 /nfs/dbraw/zinc/10/90/40/941109040.db2.gz GTINROKIWIQAQX-CYBMUJFWSA-N 1 0 358.367 3.946 20 30 FHEDRO N#Cc1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(Br)c1 ZINC000181120828 941109960 /nfs/dbraw/zinc/10/99/60/941109960.db2.gz FPBQNWICPCVXEK-MRXNPFEDSA-N 1 0 362.315 3.629 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000177393193 941120810 /nfs/dbraw/zinc/12/08/10/941120810.db2.gz IJODSBFRKRCVQE-KRWDZBQOSA-N 1 0 367.474 3.686 20 30 FHEDRO CC(C)(C#N)CCC[NH+]1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000376547317 941132337 /nfs/dbraw/zinc/13/23/37/941132337.db2.gz JAGHTBPUCZSLJZ-UHFFFAOYSA-N 1 0 352.482 3.776 20 30 FHEDRO CC[N@H+](CCC(=O)N1CCc2ccccc2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000188975336 941137494 /nfs/dbraw/zinc/13/74/94/941137494.db2.gz WUHVHRITXOHJDM-GOSISDBHSA-N 1 0 361.489 3.916 20 30 FHEDRO N#Cc1ccccc1N1CCC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000467188915 941252519 /nfs/dbraw/zinc/25/25/19/941252519.db2.gz AOACECLNJUSXCW-FQEVSTJZSA-N 1 0 353.510 3.952 20 30 FHEDRO Cc1ccc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)nc1C#N ZINC000189906900 941298815 /nfs/dbraw/zinc/29/88/15/941298815.db2.gz LHYHSCQVELPHIM-UHFFFAOYSA-N 1 0 364.493 3.745 20 30 FHEDRO CCN1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549112864 941347653 /nfs/dbraw/zinc/34/76/53/941347653.db2.gz MAHQABHOHMENHB-PZJWPPBQSA-N 1 0 358.407 3.881 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(O)c1 ZINC000181503302 941363376 /nfs/dbraw/zinc/36/33/76/941363376.db2.gz INSXZCSJWPEPAC-CABCVRRESA-N 1 0 355.413 3.517 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000181503278 941363381 /nfs/dbraw/zinc/36/33/81/941363381.db2.gz INSXZCSJWPEPAC-GJZGRUSLSA-N 1 0 355.413 3.517 20 30 FHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)CCN2C2CC2)c1 ZINC000549115537 941379404 /nfs/dbraw/zinc/37/94/04/941379404.db2.gz JEDJDRBNNFLUNN-YADHBBJMSA-N 1 0 365.452 3.774 20 30 FHEDRO N#Cc1ccc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)o1 ZINC000414579996 941385119 /nfs/dbraw/zinc/38/51/19/941385119.db2.gz CYBMNZTVSKOLEV-UHFFFAOYSA-N 1 0 374.282 3.668 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC(C)(C)CCC#N ZINC000376709030 941385529 /nfs/dbraw/zinc/38/55/29/941385529.db2.gz FMWDGUHBQIRRLC-MJGOQNOKSA-N 1 0 356.514 3.526 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000376723883 941389947 /nfs/dbraw/zinc/38/99/47/941389947.db2.gz PRTZNAQHQABGDR-IHWFROFDSA-N 1 0 368.525 3.811 20 30 FHEDRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000613618279 941474824 /nfs/dbraw/zinc/47/48/24/941474824.db2.gz DWFQVNJIVGVVBT-CVEARBPZSA-N 1 0 351.450 3.555 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)CCCOc1ccccc1C(N)=O)c1cccc(C#N)c1 ZINC000613618287 941474965 /nfs/dbraw/zinc/47/49/65/941474965.db2.gz DWFQVNJIVGVVBT-JKSUJKDBSA-N 1 0 351.450 3.555 20 30 FHEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000472655986 941495405 /nfs/dbraw/zinc/49/54/05/941495405.db2.gz XZGXWNDUFFTWAX-ZBFHGGJFSA-N 1 0 354.288 3.922 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)NCC(C)(C)CCC#N ZINC000377032853 941498574 /nfs/dbraw/zinc/49/85/74/941498574.db2.gz RZYAUORCNGUHRS-AZUAARDMSA-N 1 0 370.541 3.868 20 30 FHEDRO CN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000377045814 941503072 /nfs/dbraw/zinc/50/30/72/941503072.db2.gz UYOYSOAKFOCPQC-LJQANCHMSA-N 1 0 356.514 3.622 20 30 FHEDRO C[C@@H]1OCCC[C@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000330055687 941512944 /nfs/dbraw/zinc/51/29/44/941512944.db2.gz USVPZICKOCAACT-DLBZAZTESA-N 1 0 352.519 3.572 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000415025445 941548542 /nfs/dbraw/zinc/54/85/42/941548542.db2.gz QZNOYBHSQFCJSZ-GOSISDBHSA-N 1 0 352.438 3.764 20 30 FHEDRO C[C@]1(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCC[NH2+]C1 ZINC000415030437 941553255 /nfs/dbraw/zinc/55/32/55/941553255.db2.gz CKLFKNKWYYNCDV-NRFANRHFSA-N 1 0 364.449 3.862 20 30 FHEDRO CC1(C)CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[NH2+]1 ZINC000415043963 941563399 /nfs/dbraw/zinc/56/33/99/941563399.db2.gz RTDPLHKYNYGDMY-UHFFFAOYSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000549166715 941572734 /nfs/dbraw/zinc/57/27/34/941572734.db2.gz VCXZOZFCWFRDPR-ZDUSSCGKSA-N 1 0 359.832 3.660 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415062691 941580989 /nfs/dbraw/zinc/58/09/89/941580989.db2.gz MTESUWDDQNWKIB-DLBZAZTESA-N 1 0 364.449 3.908 20 30 FHEDRO CC(C)c1ccc(OCCNC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000549172793 941584242 /nfs/dbraw/zinc/58/42/42/941584242.db2.gz JJLPRRSEUIPUBE-QGZVFWFLSA-N 1 0 365.477 3.527 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000415072150 941588687 /nfs/dbraw/zinc/58/86/87/941588687.db2.gz LNWKHTYAAJWZPP-KRWDZBQOSA-N 1 0 352.438 3.512 20 30 FHEDRO Cc1ccnc(OC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000541110704 941597665 /nfs/dbraw/zinc/59/76/65/941597665.db2.gz GTTLSSVDVYRWNQ-UHFFFAOYSA-N 1 0 351.450 3.574 20 30 FHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000415117041 941613480 /nfs/dbraw/zinc/61/34/80/941613480.db2.gz FQOXROWZSDGNGW-INIZCTEOSA-N 1 0 366.465 3.695 20 30 FHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415118241 941614122 /nfs/dbraw/zinc/61/41/22/941614122.db2.gz CVNZJMYHAHOSHJ-HNNXBMFYSA-N 1 0 374.391 3.761 20 30 FHEDRO CC1(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[NH2+]CC1 ZINC000415149188 941629827 /nfs/dbraw/zinc/62/98/27/941629827.db2.gz NPTYVKQCBZKCOE-UHFFFAOYSA-N 1 0 350.422 3.614 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C[NH3+])C1 ZINC000415145042 941631705 /nfs/dbraw/zinc/63/17/05/941631705.db2.gz DDGCLKRTZLLECT-MAUKXSAKSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1C[NH3+] ZINC000415147631 941633512 /nfs/dbraw/zinc/63/35/12/941633512.db2.gz HZINFHCHJFFKMT-NVXWUHKLSA-N 1 0 364.449 3.799 20 30 FHEDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415162434 941644297 /nfs/dbraw/zinc/64/42/97/941644297.db2.gz NZGRPCOUZUJUHJ-IBGZPJMESA-N 1 0 364.449 3.860 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415166173 941648172 /nfs/dbraw/zinc/64/81/72/941648172.db2.gz RAAIJWLIXLXNCU-QXSJWSMHSA-N 1 0 358.511 3.672 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C[C@H]1C(F)(F)F ZINC000892911965 941672401 /nfs/dbraw/zinc/67/24/01/941672401.db2.gz OOGNLDKRZUUNHP-RRFJBIMHSA-N 1 0 372.362 3.697 20 30 FHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(C(=O)N(C)CCCC)CC2)c1O ZINC000178862645 941725994 /nfs/dbraw/zinc/72/59/94/941725994.db2.gz MUBOSZSSNJNFIM-UHFFFAOYSA-N 1 0 374.525 3.600 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1C#N ZINC000415311336 941745463 /nfs/dbraw/zinc/74/54/63/941745463.db2.gz ZVYNGQKSCKYTLQ-IBGZPJMESA-N 1 0 366.465 3.947 20 30 FHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549261566 941785093 /nfs/dbraw/zinc/78/50/93/941785093.db2.gz ROLRCDDCAGNWBF-IBGZPJMESA-N 1 0 365.525 3.833 20 30 FHEDRO C=CCc1cc(C[N@@H+]2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)cc(OC)c1O ZINC000511524603 941794106 /nfs/dbraw/zinc/79/41/06/941794106.db2.gz SCUNXLVUNZSFPX-LPHOPBHVSA-N 1 0 374.525 3.646 20 30 FHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458839367 941795987 /nfs/dbraw/zinc/79/59/87/941795987.db2.gz MPJCKNZJYCMISX-MISYRCLQSA-N 1 0 354.498 3.690 20 30 FHEDRO Oc1ccc(/C=N/C[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c(O)c1O ZINC000122554812 941796973 /nfs/dbraw/zinc/79/69/73/941796973.db2.gz HLZUSSNEFPWNDZ-BTZNOAQDSA-N 1 0 360.841 3.713 20 30 FHEDRO Cc1nnc(CNC(N[C@@H](C)c2cccc(Cl)c2)=[NH+]C2CCCC2)n1C ZINC000261939884 941828509 /nfs/dbraw/zinc/82/85/09/941828509.db2.gz DHHUSMDZPIMNJE-ZDUSSCGKSA-N 1 0 374.920 3.516 20 30 FHEDRO Cc1nnc(CNC(N[C@H](C)c2ccc(Cl)cc2)=[NH+]C2CCCC2)n1C ZINC000262017601 941839367 /nfs/dbraw/zinc/83/93/67/941839367.db2.gz YBDZMGJHMDGKCG-CYBMUJFWSA-N 1 0 374.920 3.516 20 30 FHEDRO COc1ccc(C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)cc1C#N ZINC000580317873 941893129 /nfs/dbraw/zinc/89/31/29/941893129.db2.gz GNKIDTDOAFPZEI-UHFFFAOYSA-N 1 0 365.452 3.733 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1 ZINC000377696292 941903030 /nfs/dbraw/zinc/90/30/30/941903030.db2.gz GZNOVCQCSHYZDF-WEYGHZABSA-N 1 0 350.462 3.575 20 30 FHEDRO Cc1ccc([C@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000513457977 941946663 /nfs/dbraw/zinc/94/66/63/941946663.db2.gz MESOCNKWKSQBEV-XMMPIXPASA-N 1 0 369.468 3.862 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(CN[C@@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000728711918 941982238 /nfs/dbraw/zinc/98/22/38/941982238.db2.gz QKPVTBZERDXNRT-MGPUTAFESA-N 1 0 364.424 3.729 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000415799614 942055477 /nfs/dbraw/zinc/05/54/77/942055477.db2.gz COSNPZNTCKTTJH-AWEZNQCLSA-N 1 0 352.463 3.535 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000574243004 942066592 /nfs/dbraw/zinc/06/65/92/942066592.db2.gz FRMGNHJVZIYORS-OALUTQOASA-N 1 0 360.379 3.833 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460797211 942099331 /nfs/dbraw/zinc/09/93/31/942099331.db2.gz IMLMNLVAUYPESI-HXUWFJFHSA-N 1 0 365.525 3.832 20 30 FHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C)c1C#N ZINC000501931468 942118883 /nfs/dbraw/zinc/11/88/83/942118883.db2.gz URCATVRGWNHJGU-ORAYPTAESA-N 1 0 368.456 3.822 20 30 FHEDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000280185710 942128561 /nfs/dbraw/zinc/12/85/61/942128561.db2.gz YNDJVJHLMPLABP-FQEVSTJZSA-N 1 0 360.461 3.721 20 30 FHEDRO N#CCCCC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000280547062 942204202 /nfs/dbraw/zinc/20/42/02/942204202.db2.gz QDPARJMNBPXYLE-CYBMUJFWSA-N 1 0 365.193 3.785 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000280689009 942234521 /nfs/dbraw/zinc/23/45/21/942234521.db2.gz RHAHAQGJOHTCDZ-MGPUTAFESA-N 1 0 374.506 3.802 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC000420950433 942272466 /nfs/dbraw/zinc/27/24/66/942272466.db2.gz RCKCBOXBIUNNTF-UHFFFAOYSA-N 1 0 373.500 3.680 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000501090464 942294288 /nfs/dbraw/zinc/29/42/88/942294288.db2.gz NHLBZGSXDQUMBV-OAHLLOKOSA-N 1 0 366.421 3.878 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(OC(F)F)c1 ZINC000161694487 942294303 /nfs/dbraw/zinc/29/43/03/942294303.db2.gz IEQTZOOLSCSTIJ-CQSZACIVSA-N 1 0 372.419 3.874 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCOc4ccc(F)cc43)CC2)cc1 ZINC000513707789 942338941 /nfs/dbraw/zinc/33/89/41/942338941.db2.gz IVBJWDHPMJHFKA-HXUWFJFHSA-N 1 0 351.425 3.780 20 30 FHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1 ZINC000290683970 942358416 /nfs/dbraw/zinc/35/84/16/942358416.db2.gz VRRAJJSHAWDFHQ-UHFFFAOYSA-N 1 0 351.454 3.643 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CC[NH+](C2CCC2)CC1 ZINC000502328718 942374402 /nfs/dbraw/zinc/37/44/02/942374402.db2.gz XEUASVGNZHMXQB-UHFFFAOYSA-N 1 0 359.473 3.788 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2cccc(OCC=C(C)C)c2)CC1 ZINC000416147983 942398385 /nfs/dbraw/zinc/39/83/85/942398385.db2.gz CEUSRMDRNZYWLQ-UHFFFAOYSA-N 1 0 356.510 3.731 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000366842643 942434006 /nfs/dbraw/zinc/43/40/06/942434006.db2.gz MZGDZQMLOSSTPK-SFHVURJKSA-N 1 0 353.491 3.746 20 30 FHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000513712855 942457307 /nfs/dbraw/zinc/45/73/07/942457307.db2.gz GRWBTNSPRJVXOK-INIZCTEOSA-N 1 0 363.461 3.649 20 30 FHEDRO C=CCN(Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000502469168 942467399 /nfs/dbraw/zinc/46/73/99/942467399.db2.gz ROHHFKKJEJTVEE-XLIONFOSSA-N 1 0 350.462 3.703 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(COC3CCOCC3)c2)cc1F ZINC000421328645 942485241 /nfs/dbraw/zinc/48/52/41/942485241.db2.gz TUENNVMNKKLCBW-UHFFFAOYSA-N 1 0 354.425 3.683 20 30 FHEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c(OC[C@@H]2CCCO2)c1 ZINC000421343686 942496377 /nfs/dbraw/zinc/49/63/77/942496377.db2.gz QKBAFRDGGLZKRI-IBGZPJMESA-N 1 0 354.425 3.853 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001125870465 942509885 /nfs/dbraw/zinc/50/98/85/942509885.db2.gz HQIDISURJKVTIQ-PMACEKPBSA-N 1 0 353.510 3.665 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCC3(O)CCC3)c2)c1 ZINC000421365712 942517135 /nfs/dbraw/zinc/51/71/35/942517135.db2.gz BYIXGQDGCCIDGD-UHFFFAOYSA-N 1 0 350.462 3.922 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000502552222 942518669 /nfs/dbraw/zinc/51/86/69/942518669.db2.gz BFVMEIAXRVVGPQ-IRLDBZIGSA-N 1 0 367.489 3.698 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502544810 942522796 /nfs/dbraw/zinc/52/27/96/942522796.db2.gz GMLFAPZPIJTFHZ-HXUWFJFHSA-N 1 0 356.853 3.712 20 30 FHEDRO N#Cc1ccc(C2=CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC000502545556 942524705 /nfs/dbraw/zinc/52/47/05/942524705.db2.gz WJECJPBYSOINPH-UHFFFAOYSA-N 1 0 367.412 3.769 20 30 FHEDRO N#CCC[C@H]([NH2+]C1CC(S(=O)(=O)c2ccccc2)C1)c1ccccc1 ZINC000893194036 942526579 /nfs/dbraw/zinc/52/65/79/942526579.db2.gz CCISFPMPZKXJBJ-UUKMXZOPSA-N 1 0 354.475 3.626 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc1F ZINC000421397524 942547978 /nfs/dbraw/zinc/54/79/78/942547978.db2.gz RXVMFFABOHGASV-LEWJYISDSA-N 1 0 356.416 3.700 20 30 FHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513971848 942635687 /nfs/dbraw/zinc/63/56/87/942635687.db2.gz RHKHDIADSQOPOD-NRFANRHFSA-N 1 0 361.489 3.933 20 30 FHEDRO N#Cc1ccnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000513969078 942650275 /nfs/dbraw/zinc/65/02/75/942650275.db2.gz PKIYFLCCXWQDFK-UHFFFAOYSA-N 1 0 354.457 3.865 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420421772 942659060 /nfs/dbraw/zinc/65/90/60/942659060.db2.gz YTCYDAVNXXZUIJ-LJQANCHMSA-N 1 0 367.518 3.550 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCCOc2ccccc21)C(C)C ZINC000514075949 942721392 /nfs/dbraw/zinc/72/13/92/942721392.db2.gz OUFGLDLHLUVQNU-VQTJNVASSA-N 1 0 371.525 3.898 20 30 FHEDRO COc1cc(C[NH+]2CCC([C@H]3CCCCCN3C(C)=O)CC2)ccc1C#N ZINC000367030637 942723955 /nfs/dbraw/zinc/72/39/55/942723955.db2.gz QNXUOVFXVPAQRU-OAQYLSRUSA-N 1 0 369.509 3.570 20 30 FHEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(F)cc(F)c1OC)C2 ZINC001143559937 942745662 /nfs/dbraw/zinc/74/56/62/942745662.db2.gz BLVJTNWGWFIIII-ICSRJNTNSA-N 1 0 367.436 3.547 20 30 FHEDRO CCN(CC)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CC(C)C ZINC000514105596 942748889 /nfs/dbraw/zinc/74/88/89/942748889.db2.gz SJIRAGJJXZSLKP-QFIPXVFZSA-N 1 0 356.558 3.873 20 30 FHEDRO C=CCN(C(=O)N[C@H](C)c1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363821197 942753616 /nfs/dbraw/zinc/75/36/16/942753616.db2.gz LTXDIMRUTPGNRF-WIYYLYMNSA-N 1 0 364.493 3.615 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(Nc3ncc(C#N)cc3Cl)c2)CC1 ZINC000502804871 942759773 /nfs/dbraw/zinc/75/97/73/942759773.db2.gz HULPAVFUXVXIJN-UHFFFAOYSA-N 1 0 355.873 3.881 20 30 FHEDRO C=CCC[C@@H](CC)[NH2+]C1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000363834806 942800669 /nfs/dbraw/zinc/80/06/69/942800669.db2.gz VSLCNSMETABAEN-MRXNPFEDSA-N 1 0 360.498 3.643 20 30 FHEDRO CCOC(=O)CC1([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000434619907 942806084 /nfs/dbraw/zinc/80/60/84/942806084.db2.gz HKMCZWGWMLBDRD-UHFFFAOYSA-N 1 0 353.384 3.913 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(c3c[nH]c4ccc(C(N)=O)cc43)CC2)cc1 ZINC000378502478 942833432 /nfs/dbraw/zinc/83/34/32/942833432.db2.gz YVABWBHRSKMWKY-UHFFFAOYSA-N 1 0 358.445 3.518 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(Cn4cccn4)cc3)CC2)cc1 ZINC000513760744 942841240 /nfs/dbraw/zinc/84/12/40/942841240.db2.gz KGMRJXGRHYSFGL-UHFFFAOYSA-N 1 0 371.488 3.562 20 30 FHEDRO C[N@H+](CCCCc1ccccc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434660599 942844654 /nfs/dbraw/zinc/84/46/54/942844654.db2.gz AIJSHWHSAWQTQX-SFHVURJKSA-N 1 0 353.491 3.680 20 30 FHEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466927076 942863057 /nfs/dbraw/zinc/86/30/57/942863057.db2.gz OJVFPLKSXXHBPJ-IRXDYDNUSA-N 1 0 369.534 3.916 20 30 FHEDRO CCOC(=O)C1(C)CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000378543508 942875219 /nfs/dbraw/zinc/87/52/19/942875219.db2.gz QDISYGNCKGJLPT-UHFFFAOYSA-N 1 0 374.481 3.543 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1OCCCC#N ZINC000430081899 942892420 /nfs/dbraw/zinc/89/24/20/942892420.db2.gz CQNGJXDNOFGUON-MSOLQXFVSA-N 1 0 350.409 3.855 20 30 FHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000312200663 942903299 /nfs/dbraw/zinc/90/32/99/942903299.db2.gz FCUGUPTUTCYXHU-RTBURBONSA-N 1 0 373.497 3.905 20 30 FHEDRO C=CCOc1cccc(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000430094216 942907035 /nfs/dbraw/zinc/90/70/35/942907035.db2.gz KVQOGOCXSXFKAM-UHFFFAOYSA-N 1 0 354.425 3.654 20 30 FHEDRO C[NH+](C)C1CCC(NC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000422012950 942939303 /nfs/dbraw/zinc/93/93/03/942939303.db2.gz WSPXPSMVVOSENQ-UHFFFAOYSA-N 1 0 352.482 3.548 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1OCCCC#N ZINC000378629075 942972157 /nfs/dbraw/zinc/97/21/57/942972157.db2.gz DCWJKHCBYSMYHK-FQEVSTJZSA-N 1 0 365.477 3.837 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](c3ccccc3)N3CCCC3)CC2)cc1 ZINC000513762872 942990226 /nfs/dbraw/zinc/99/02/26/942990226.db2.gz UDWOCFQSIMPITK-XMMPIXPASA-N 1 0 374.532 3.954 20 30 FHEDRO C[C@@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)[NH+]1CCCCCC1 ZINC000505541096 942990328 /nfs/dbraw/zinc/99/03/28/942990328.db2.gz VGNMLLQGXZQBAO-SWLSCSKDSA-N 1 0 354.281 3.939 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cccc(Cl)c2Cl)CC1 ZINC000171736892 943019476 /nfs/dbraw/zinc/01/94/76/943019476.db2.gz MYMTXOFWVGVZPN-UHFFFAOYSA-N 1 0 356.297 3.785 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccsc1 ZINC000416680492 943036863 /nfs/dbraw/zinc/03/68/63/943036863.db2.gz IFQCCEGJBMREHI-RTBURBONSA-N 1 0 368.506 3.599 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505561674 943037285 /nfs/dbraw/zinc/03/72/85/943037285.db2.gz JMDZKCPKSJLAOH-HXUWFJFHSA-N 1 0 353.491 3.639 20 30 FHEDRO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000416699472 943050059 /nfs/dbraw/zinc/05/00/59/943050059.db2.gz XQKJEGVDWCIMJZ-MOPGFXCFSA-N 1 0 356.514 3.601 20 30 FHEDRO CCc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C(C)C)cc1 ZINC000513785181 943101548 /nfs/dbraw/zinc/10/15/48/943101548.db2.gz HPNTYRMATVAFKE-NRFANRHFSA-N 1 0 370.518 3.881 20 30 FHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000505589719 943103727 /nfs/dbraw/zinc/10/37/27/943103727.db2.gz APBBGEBTOPEUBR-IERDGZPVSA-N 1 0 368.477 3.681 20 30 FHEDRO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272222070 943116717 /nfs/dbraw/zinc/11/67/17/943116717.db2.gz CFCLKMOOUVIBFP-XLIONFOSSA-N 1 0 362.477 3.785 20 30 FHEDRO C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505596235 943133782 /nfs/dbraw/zinc/13/37/82/943133782.db2.gz KZUCBGMQDXTSET-YWZLYKJASA-N 1 0 367.468 3.783 20 30 FHEDRO N#CCc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000363951261 943153230 /nfs/dbraw/zinc/15/32/30/943153230.db2.gz SERCLQJUGKQGLA-UHFFFAOYSA-N 1 0 366.440 3.678 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H]1c1cccn1C)C(C)C ZINC000503435867 943183343 /nfs/dbraw/zinc/18/33/43/943183343.db2.gz INHRFKOQGCAVOJ-PMACEKPBSA-N 1 0 358.530 3.570 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000503438548 943185161 /nfs/dbraw/zinc/18/51/61/943185161.db2.gz PIEVLGWIVVCJMM-GOSISDBHSA-N 1 0 360.458 3.723 20 30 FHEDRO C[C@H](NC(=O)NC(C)(C)CC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000422619426 943209033 /nfs/dbraw/zinc/20/90/33/943209033.db2.gz NCCAQQUEBNAYFH-HNNXBMFYSA-N 1 0 350.466 3.713 20 30 FHEDRO N#CC1(NC(=O)C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)CCCCC1 ZINC000503563342 943249012 /nfs/dbraw/zinc/24/90/12/943249012.db2.gz SLTBXPNYLBIRPS-HXUWFJFHSA-N 1 0 351.494 3.871 20 30 FHEDRO N#CC1(NC(=O)C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)CCCCC1 ZINC000503563341 943249250 /nfs/dbraw/zinc/24/92/50/943249250.db2.gz SLTBXPNYLBIRPS-FQEVSTJZSA-N 1 0 351.494 3.871 20 30 FHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466929071 943251609 /nfs/dbraw/zinc/25/16/09/943251609.db2.gz NBUIQMNFDZONLI-KRWDZBQOSA-N 1 0 369.534 3.918 20 30 FHEDRO N#CCCC[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000431914278 943267749 /nfs/dbraw/zinc/26/77/49/943267749.db2.gz QDWIKNIYKMDPIF-WOJBJXKFSA-N 1 0 354.498 3.738 20 30 FHEDRO C[C@@]1(CNc2c(C#N)nnc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000312396183 943283352 /nfs/dbraw/zinc/28/33/52/943283352.db2.gz DISQZCLGDNXURG-QFIPXVFZSA-N 1 0 357.461 3.826 20 30 FHEDRO C=CCC[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281042 943300308 /nfs/dbraw/zinc/30/03/08/943300308.db2.gz PMVKJWPNEBRCCZ-FCHUYYIVSA-N 1 0 364.489 3.711 20 30 FHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3-c3ccccc3C#N)C2)C1 ZINC000505671154 943350701 /nfs/dbraw/zinc/35/07/01/943350701.db2.gz VEMJMQBCNIBNCD-QHCPKHFHSA-N 1 0 359.473 3.783 20 30 FHEDRO C=C(C)[C@@H](CC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)OCC ZINC000503766698 943363013 /nfs/dbraw/zinc/36/30/13/943363013.db2.gz AJVRUIXPGQMFNT-HXUWFJFHSA-N 1 0 359.514 3.527 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000505689630 943390827 /nfs/dbraw/zinc/39/08/27/943390827.db2.gz IQNHEQRYEOGWHL-CVEARBPZSA-N 1 0 358.486 3.730 20 30 FHEDRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Cl ZINC000503920718 943408728 /nfs/dbraw/zinc/40/87/28/943408728.db2.gz MZDFIOYKFONGPG-IBGZPJMESA-N 1 0 353.853 3.805 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(=O)Nc2cccc(F)c2)CC1 ZINC000425383911 943443764 /nfs/dbraw/zinc/44/37/64/943443764.db2.gz POYQLDFDELQKID-UHFFFAOYSA-N 1 0 351.425 3.758 20 30 FHEDRO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC(C)(C)CCC#N ZINC000505704142 943463945 /nfs/dbraw/zinc/46/39/45/943463945.db2.gz ARFUCKNAOGHGQV-UHFFFAOYSA-N 1 0 372.469 3.504 20 30 FHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000515043055 943470606 /nfs/dbraw/zinc/47/06/06/943470606.db2.gz KDGLJCXHBDFEOA-BDTNDASRSA-N 1 0 359.473 3.615 20 30 FHEDRO C=CCOCCC(=O)N1CCCC2(C[NH+](C[C@@H](CC)CCCC)C2)C1 ZINC001269982093 943473850 /nfs/dbraw/zinc/47/38/50/943473850.db2.gz GGFSFOKIMHTIQI-IBGZPJMESA-N 1 0 350.547 3.720 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000435585978 943503801 /nfs/dbraw/zinc/50/38/01/943503801.db2.gz VZGCETFUFLTPEB-NRFANRHFSA-N 1 0 373.537 3.826 20 30 FHEDRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000515121128 943515522 /nfs/dbraw/zinc/51/55/22/943515522.db2.gz LTEIQHZFPPKKGI-OWQMCBFZSA-N 1 0 374.550 4.000 20 30 FHEDRO C=CCN(CC=C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435629263 943528094 /nfs/dbraw/zinc/52/80/94/943528094.db2.gz XIGQVGKNYOABGT-UHFFFAOYSA-N 1 0 351.494 3.608 20 30 FHEDRO CCC[N@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000515135190 943528120 /nfs/dbraw/zinc/52/81/20/943528120.db2.gz YHDKGXXZWBYARW-UHFFFAOYSA-N 1 0 369.896 3.783 20 30 FHEDRO N#Cc1ccc([C@H]([NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)C(N)=O)cc1 ZINC000435665333 943535751 /nfs/dbraw/zinc/53/57/51/943535751.db2.gz PPXIBABVGDJMJM-SZMVWBNQSA-N 1 0 373.378 3.639 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000425401314 943549611 /nfs/dbraw/zinc/54/96/11/943549611.db2.gz PXROMKLSENOWTE-SFHVURJKSA-N 1 0 364.493 3.783 20 30 FHEDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000417368271 943550976 /nfs/dbraw/zinc/55/09/76/943550976.db2.gz PRUDRGSAZPUIPV-HXUWFJFHSA-N 1 0 353.510 3.952 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000435745553 943594902 /nfs/dbraw/zinc/59/49/02/943594902.db2.gz NTFNIUZMMAGEQB-SIKLNZKXSA-N 1 0 369.509 3.628 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000435745389 943594918 /nfs/dbraw/zinc/59/49/18/943594918.db2.gz MLAJLOLXEOQBQG-RBBKRZOGSA-N 1 0 353.510 3.927 20 30 FHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccccn3)sc2C1 ZINC000584825839 943696525 /nfs/dbraw/zinc/69/65/25/943696525.db2.gz JALDBNPJLVYILX-AWEZNQCLSA-N 1 0 368.506 3.600 20 30 FHEDRO Cc1cccc(COc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)c(C)c2)c1 ZINC000424111659 943736801 /nfs/dbraw/zinc/73/68/01/943736801.db2.gz GTTBWOCAWSTKBK-IBGZPJMESA-N 1 0 351.450 3.842 20 30 FHEDRO C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000424118975 943741416 /nfs/dbraw/zinc/74/14/16/943741416.db2.gz DAAMYMIPTFEFRA-MRXNPFEDSA-N 1 0 363.575 3.590 20 30 FHEDRO C=CCn1c([C@H]2CCCS2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000424122323 943742766 /nfs/dbraw/zinc/74/27/66/943742766.db2.gz IRZGHRZQDBWAGB-MRXNPFEDSA-N 1 0 351.564 3.587 20 30 FHEDRO COc1cccc([C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2ccccc2Cl)c1 ZINC000424131380 943758123 /nfs/dbraw/zinc/75/81/23/943758123.db2.gz UYIHLCKMHBAGIH-OALUTQOASA-N 1 0 371.868 3.575 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000424130796 943758658 /nfs/dbraw/zinc/75/86/58/943758658.db2.gz HYDMWIIEDACMAW-KRWDZBQOSA-N 1 0 356.857 3.912 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000424165200 943769929 /nfs/dbraw/zinc/76/99/29/943769929.db2.gz ABZZYZBMUZZZEE-HOCLYGCPSA-N 1 0 351.372 3.572 20 30 FHEDRO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1=O ZINC000516860875 943775184 /nfs/dbraw/zinc/77/51/84/943775184.db2.gz WQUYJOVOZTUGHN-VBKZILBWSA-N 1 0 369.415 3.678 20 30 FHEDRO C[N@H+](CCOc1ccccc1F)Cc1ccc(C#N)cc1OC(F)F ZINC000437417196 943790852 /nfs/dbraw/zinc/79/08/52/943790852.db2.gz HCKOEQLTAWGTMD-UHFFFAOYSA-N 1 0 350.340 3.810 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162456956 943806022 /nfs/dbraw/zinc/80/60/22/943806022.db2.gz JNEUOZJJPJGHBO-INIZCTEOSA-N 1 0 364.555 3.931 20 30 FHEDRO COC(=O)c1ccc(C[NH2+]CC(C)(C)CCC#N)c(Br)c1 ZINC000516894500 943809675 /nfs/dbraw/zinc/80/96/75/943809675.db2.gz GYPWQZACDWXCJP-UHFFFAOYSA-N 1 0 353.260 3.655 20 30 FHEDRO C=CC1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000435868218 943822582 /nfs/dbraw/zinc/82/25/82/943822582.db2.gz RMNRFSOFKAFWIV-UHFFFAOYSA-N 1 0 365.521 3.832 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000425412728 943838915 /nfs/dbraw/zinc/83/89/15/943838915.db2.gz FYQXSGRNHOOPED-ZWKOTPCHSA-N 1 0 356.514 3.773 20 30 FHEDRO CC1(C)CC[C@H]2C[C@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)c3cccc1c32 ZINC000516971270 943872213 /nfs/dbraw/zinc/87/22/13/943872213.db2.gz QWYSRRVHZLSHGH-KXBFYZLASA-N 1 0 357.461 3.991 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])c2)cc1 ZINC000424413677 943910104 /nfs/dbraw/zinc/91/01/04/943910104.db2.gz GCBOYPXWELPKEF-RTBURBONSA-N 1 0 350.422 3.742 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000437567659 943925444 /nfs/dbraw/zinc/92/54/44/943925444.db2.gz JHWJPBMGWPZUKP-SFHVURJKSA-N 1 0 353.384 3.829 20 30 FHEDRO C[C@H](c1ccsc1)[NH+]1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000515498815 943927361 /nfs/dbraw/zinc/92/73/61/943927361.db2.gz IVCAABZANKWLJW-MRXNPFEDSA-N 1 0 363.490 3.689 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000425438385 943937016 /nfs/dbraw/zinc/93/70/16/943937016.db2.gz ANYAUPWTSVWPNY-ZWKOTPCHSA-N 1 0 364.493 3.781 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000515509986 943941939 /nfs/dbraw/zinc/94/19/39/943941939.db2.gz AGRCUTNOUAFDLE-OAQYLSRUSA-N 1 0 369.509 3.987 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc4c(cccc4F)[nH]3)CC2)cc1 ZINC000437582937 943943064 /nfs/dbraw/zinc/94/30/64/943943064.db2.gz WHBNZPWBCZYEFJ-UHFFFAOYSA-N 1 0 362.452 3.887 20 30 FHEDRO C=CCN1CC[C@H]([N@H+](C)CC/C=C\c2ccc(Br)cc2)C1=O ZINC000500008129 943944515 /nfs/dbraw/zinc/94/45/15/943944515.db2.gz INNOOPQANLKXFM-AATOQMJSSA-N 1 0 363.299 3.571 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000505001049 943952878 /nfs/dbraw/zinc/95/28/78/943952878.db2.gz NREQYPTVTXLXHH-KRWDZBQOSA-N 1 0 357.498 3.522 20 30 FHEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](CC)c2ccc(Br)cc2)C1=O ZINC000500017301 943956084 /nfs/dbraw/zinc/95/60/84/943956084.db2.gz UHWGZJLORHMRLQ-HOTGVXAUSA-N 1 0 351.288 3.619 20 30 FHEDRO C=CCN(C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H](C)COC ZINC000664519154 943976684 /nfs/dbraw/zinc/97/66/84/943976684.db2.gz HOOHLZMAXLKGAC-SVFBPWRDSA-N 1 0 373.541 3.520 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CC[C@@H]([NH2+]C)C1)c1ccc(C(F)(F)F)cc1 ZINC000417930237 943976976 /nfs/dbraw/zinc/97/69/76/943976976.db2.gz JQSXWAPNCNDBGZ-HZPDHXFCSA-N 1 0 355.404 3.716 20 30 FHEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000424633418 944023113 /nfs/dbraw/zinc/02/31/13/944023113.db2.gz WJXRDAGUTLKQIP-INIZCTEOSA-N 1 0 361.505 3.747 20 30 FHEDRO C[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417997978 944047132 /nfs/dbraw/zinc/04/71/32/944047132.db2.gz SPOQIORGVGWIQQ-MRXNPFEDSA-N 1 0 362.477 3.680 20 30 FHEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417998815 944047731 /nfs/dbraw/zinc/04/77/31/944047731.db2.gz VHLFMKXBRYIFMJ-OAQYLSRUSA-N 1 0 364.493 3.740 20 30 FHEDRO CCC1(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000425474618 944049067 /nfs/dbraw/zinc/04/90/67/944049067.db2.gz LUOXTOORAUFHER-VQTJNVASSA-N 1 0 368.525 3.670 20 30 FHEDRO C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001311 944049322 /nfs/dbraw/zinc/04/93/22/944049322.db2.gz WWWOTBOVLFLYDS-BRWVUGGUSA-N 1 0 362.477 3.678 20 30 FHEDRO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417994167 944051764 /nfs/dbraw/zinc/05/17/64/944051764.db2.gz ORVPKBHQQADUFX-UGSOOPFHSA-N 1 0 372.419 3.568 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N(CC[NH3+])Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000418028451 944080859 /nfs/dbraw/zinc/08/08/59/944080859.db2.gz KDQLJSWCEIZZBC-LJQANCHMSA-N 1 0 359.420 3.753 20 30 FHEDRO CCN1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000515656474 944081060 /nfs/dbraw/zinc/08/10/60/944081060.db2.gz GJDWJGWOJCPLPK-ICSRJNTNSA-N 1 0 359.395 3.901 20 30 FHEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(F)cc1I ZINC000418056209 944106219 /nfs/dbraw/zinc/10/62/19/944106219.db2.gz DPARJTXIVOHZNW-UHFFFAOYSA-N 1 0 360.214 3.850 20 30 FHEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000436261625 944153038 /nfs/dbraw/zinc/15/30/38/944153038.db2.gz PRVGVUWNOYVDFY-IAGOWNOFSA-N 1 0 363.527 3.912 20 30 FHEDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414915244 944171559 /nfs/dbraw/zinc/17/15/59/944171559.db2.gz YTJNTJGIOYVJQD-WMLDXEAASA-N 1 0 356.857 3.854 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437887578 944187269 /nfs/dbraw/zinc/18/72/69/944187269.db2.gz FGZUXHVKWQOMFU-RBBKRZOGSA-N 1 0 358.526 3.586 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000436307429 944190452 /nfs/dbraw/zinc/19/04/52/944190452.db2.gz NOABMAHMBJOUSY-MDKPJZGXSA-N 1 0 355.482 3.631 20 30 FHEDRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418140244 944199681 /nfs/dbraw/zinc/19/96/81/944199681.db2.gz FNRNISRBUGPETG-VFNWGFHPSA-N 1 0 364.445 3.666 20 30 FHEDRO C[C@]1(c2ccccc2)CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000500186177 944225468 /nfs/dbraw/zinc/22/54/68/944225468.db2.gz PSNTYYDRIAPHKC-GGAORHGYSA-N 1 0 359.473 3.717 20 30 FHEDRO Cc1sc(NC(=O)C[NH2+][C@H]2CCCN(C)c3ccccc32)c(C#N)c1C ZINC000566602546 944249792 /nfs/dbraw/zinc/24/97/92/944249792.db2.gz LABQXQIHGWQQDF-KRWDZBQOSA-N 1 0 368.506 3.736 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000425543294 944293787 /nfs/dbraw/zinc/29/37/87/944293787.db2.gz ZDTZNWHZBONYBB-HNNXBMFYSA-N 1 0 350.418 3.595 20 30 FHEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000517440067 944298022 /nfs/dbraw/zinc/29/80/22/944298022.db2.gz HTGJCIHGNWQUNG-KRWDZBQOSA-N 1 0 354.281 3.796 20 30 FHEDRO N#Cc1cccc(C#N)c1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000436409171 944298540 /nfs/dbraw/zinc/29/85/40/944298540.db2.gz IIPHMEDNAALCMQ-UHFFFAOYSA-N 1 0 360.461 3.559 20 30 FHEDRO CCC[N@H+](C)[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000425549123 944302735 /nfs/dbraw/zinc/30/27/35/944302735.db2.gz NPETVSDJQNDMNC-BMGDILEWSA-N 1 0 362.905 3.714 20 30 FHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000783410148 944314525 /nfs/dbraw/zinc/31/45/25/944314525.db2.gz NXQSFMOTUKMDLC-SFHVURJKSA-N 1 0 363.457 3.808 20 30 FHEDRO C=CC1CC[NH+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000506477234 944320483 /nfs/dbraw/zinc/32/04/83/944320483.db2.gz AMHDZOJRWKNFJS-MRXNPFEDSA-N 1 0 354.372 3.589 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NCC2CCC(c3ccccc3)CC2)CC1 ZINC000517466525 944324779 /nfs/dbraw/zinc/32/47/79/944324779.db2.gz QTNAISVJMMSBLD-UHFFFAOYSA-N 1 0 355.526 3.910 20 30 FHEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425556062 944333130 /nfs/dbraw/zinc/33/31/30/944333130.db2.gz RYSUHFCELYUZPD-PXNSSMCTSA-N 1 0 356.514 3.771 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cccc([C@H](C#N)C(=O)OC(C)(C)C)n1 ZINC001167750878 944334386 /nfs/dbraw/zinc/33/43/86/944334386.db2.gz FDRXAKNCSJMMEJ-SJORKVTESA-N 1 0 372.513 3.707 20 30 FHEDRO CC[N@H+](Cc1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1)C1CC1 ZINC000518397712 944337320 /nfs/dbraw/zinc/33/73/20/944337320.db2.gz QYSWGBPMHRWRHG-UHFFFAOYSA-N 1 0 369.415 3.751 20 30 FHEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025036445 944343861 /nfs/dbraw/zinc/34/38/61/944343861.db2.gz BENCLJFFMLYXMX-GFCCVEGCSA-N 1 0 363.914 3.820 20 30 FHEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025036448 944344029 /nfs/dbraw/zinc/34/40/29/944344029.db2.gz BENCLJFFMLYXMX-LBPRGKRZSA-N 1 0 363.914 3.820 20 30 FHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)CCC#N ZINC000518418357 944364433 /nfs/dbraw/zinc/36/44/33/944364433.db2.gz PVRPOVZFDXUHLL-INIZCTEOSA-N 1 0 355.482 3.761 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1snc(C)c1C#N)c1ccsc1 ZINC000436488956 944372497 /nfs/dbraw/zinc/37/24/97/944372497.db2.gz NRQALWNEBIDGRL-CQSZACIVSA-N 1 0 363.512 3.589 20 30 FHEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000517591514 944422862 /nfs/dbraw/zinc/42/28/62/944422862.db2.gz DYQDIRBGTBVFAY-QFIPXVFZSA-N 1 0 363.505 3.827 20 30 FHEDRO C[C@H](OC[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000046836065 944456093 /nfs/dbraw/zinc/45/60/93/944456093.db2.gz NQNWGHYGFVRXOW-MGPUTAFESA-N 1 0 358.869 3.782 20 30 FHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000092802507 944494944 /nfs/dbraw/zinc/49/49/44/944494944.db2.gz OLWJIQKJDPDRIU-MRXNPFEDSA-N 1 0 356.495 3.585 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)COc3ccc(C#N)cc3)cc2)C1 ZINC000046934480 944495060 /nfs/dbraw/zinc/49/50/60/944495060.db2.gz YSAZUUYLSLTRHB-QGZVFWFLSA-N 1 0 363.461 3.808 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000517678300 944505596 /nfs/dbraw/zinc/50/55/96/944505596.db2.gz QELXIXWMHZGDGZ-UHFFFAOYSA-N 1 0 364.449 3.958 20 30 FHEDRO Cc1oc(NC(=O)CN2CC[C@@H](c3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000439314500 944520570 /nfs/dbraw/zinc/52/05/70/944520570.db2.gz HHQZAZIHVSSYQN-KBXCAEBGSA-N 1 0 351.450 3.975 20 30 FHEDRO CN(C(=O)C[N@@H+](Cc1ccccc1)CC1CCC1)C1(C#N)CCCCC1 ZINC000518600424 944537700 /nfs/dbraw/zinc/53/77/00/944537700.db2.gz ZVONXADJINPEFB-UHFFFAOYSA-N 1 0 353.510 3.974 20 30 FHEDRO CO[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[C@@H]1C ZINC000467384806 944579993 /nfs/dbraw/zinc/57/99/93/944579993.db2.gz XSBBGNXJGCMEBQ-HTAPYJJXSA-N 1 0 350.462 3.994 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000518684528 944595306 /nfs/dbraw/zinc/59/53/06/944595306.db2.gz FUXPBIBYKDCTKG-MRXNPFEDSA-N 1 0 360.527 3.792 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cc3cccc(F)c3o2)CC1 ZINC000473828666 944606632 /nfs/dbraw/zinc/60/66/32/944606632.db2.gz YGAHKSZVKDIOBH-CQSZACIVSA-N 1 0 359.445 3.973 20 30 FHEDRO N#CC1(CCC[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)CCOCC1 ZINC000499787677 944609217 /nfs/dbraw/zinc/60/92/17/944609217.db2.gz WABZQLRSTABMLK-HNNXBMFYSA-N 1 0 357.281 3.717 20 30 FHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000518700145 944620923 /nfs/dbraw/zinc/62/09/23/944620923.db2.gz VXOYNXHLBYCXBC-QHCPKHFHSA-N 1 0 364.489 3.883 20 30 FHEDRO C=CCn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517784441 944626152 /nfs/dbraw/zinc/62/61/52/944626152.db2.gz OMOCHRPZRHDHAX-YLJYHZDGSA-N 1 0 365.525 3.831 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000516245332 944629202 /nfs/dbraw/zinc/62/92/02/944629202.db2.gz GZDYAPZRSVDBJN-GBESFXJTSA-N 1 0 373.541 3.759 20 30 FHEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000467405936 944656725 /nfs/dbraw/zinc/65/67/25/944656725.db2.gz ODVHNCFJETYCFE-TZMCWYRMSA-N 1 0 358.301 3.612 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418474401 944672365 /nfs/dbraw/zinc/67/23/65/944672365.db2.gz YLEBCVPNGIWITD-QGZVFWFLSA-N 1 0 369.513 3.772 20 30 FHEDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000439512512 944697337 /nfs/dbraw/zinc/69/73/37/944697337.db2.gz LUJNKWOZRJTYQZ-UHFFFAOYSA-N 1 0 351.450 3.663 20 30 FHEDRO CCCCCCCC(=O)N1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001270134231 944703822 /nfs/dbraw/zinc/70/38/22/944703822.db2.gz JLRBHYYIHOPCIK-OAQYLSRUSA-N 1 0 360.546 3.558 20 30 FHEDRO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1Cc2ccccc2C1 ZINC000517843218 944706981 /nfs/dbraw/zinc/70/69/81/944706981.db2.gz OWBOTWDXUSCAAH-UHFFFAOYSA-N 1 0 367.880 3.686 20 30 FHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)c1ccnc(C#N)n1 ZINC000516315144 944715732 /nfs/dbraw/zinc/71/57/32/944715732.db2.gz IIYDLPBHXZEYLN-UHFFFAOYSA-N 1 0 364.280 3.613 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCC1 ZINC000438520788 944743813 /nfs/dbraw/zinc/74/38/13/944743813.db2.gz YJCFXOPAONZVLB-UHFFFAOYSA-N 1 0 363.461 3.759 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000517862691 944756908 /nfs/dbraw/zinc/75/69/08/944756908.db2.gz WPNFUJNIGBXIHW-UHFFFAOYSA-N 1 0 366.509 3.744 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1c(F)cc(F)cc1F)C(C)C ZINC000438550146 944778017 /nfs/dbraw/zinc/77/80/17/944778017.db2.gz YCGCFSNDDSSLKY-MRXNPFEDSA-N 1 0 355.404 3.924 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000439641044 944824973 /nfs/dbraw/zinc/82/49/73/944824973.db2.gz DBRFBFURBOQNMV-CQSZACIVSA-N 1 0 352.881 3.935 20 30 FHEDRO COc1cc2c(c(OC)c1OC)CC[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000432030601 944936226 /nfs/dbraw/zinc/93/62/26/944936226.db2.gz GRFVSOGQGOHJOT-HNNXBMFYSA-N 1 0 366.461 3.746 20 30 FHEDRO CCCCCCCCC(=O)N1CCC2(CCN(COCCOC)C2)CC1 ZINC001270163404 944968212 /nfs/dbraw/zinc/96/82/12/944968212.db2.gz BXZJASBIVIQUBG-UHFFFAOYSA-N 1 0 368.562 3.672 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000425707834 944982375 /nfs/dbraw/zinc/98/23/75/944982375.db2.gz XWQOQRQLXKVOAY-HZEGPAAWSA-N 1 0 373.541 3.642 20 30 FHEDRO N#CC1(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CCCCC1 ZINC000507149561 944985092 /nfs/dbraw/zinc/98/50/92/944985092.db2.gz NRQSUFPYGOVWMT-UHFFFAOYSA-N 1 0 353.510 3.628 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(F)c1 ZINC000426131443 944989505 /nfs/dbraw/zinc/98/95/05/944989505.db2.gz OWUCKOFPRKVDPQ-KRWDZBQOSA-N 1 0 360.820 3.775 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000111388871 945004321 /nfs/dbraw/zinc/00/43/21/945004321.db2.gz DJESTWKCPQJEKH-RDTXWAMCSA-N 1 0 369.852 3.526 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000507185262 945015259 /nfs/dbraw/zinc/01/52/59/945015259.db2.gz ZOCPIJWZFAVAHA-UHFFFAOYSA-N 1 0 372.488 3.579 20 30 FHEDRO COc1ccc(C2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000516573442 945025798 /nfs/dbraw/zinc/02/57/98/945025798.db2.gz ZGIAYNGJGYNWHD-UHFFFAOYSA-N 1 0 351.406 3.855 20 30 FHEDRO C=C(Cc1ccccc1)C(=O)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001270172534 945040818 /nfs/dbraw/zinc/04/08/18/945040818.db2.gz XIMHPIXMLKPCHU-OYRHEFFESA-N 1 0 352.522 3.898 20 30 FHEDRO COc1cc(C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)ccc1C#N ZINC000516605851 945048629 /nfs/dbraw/zinc/04/86/29/945048629.db2.gz VBZRFHKTHMTQPF-CABCVRRESA-N 1 0 354.450 3.866 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000511763222 945052048 /nfs/dbraw/zinc/05/20/48/945052048.db2.gz QVIQUDBHMBYHCY-UHFFFAOYSA-N 1 0 371.525 3.848 20 30 FHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@]2(CCCOC2)O1 ZINC000330140341 945373757 /nfs/dbraw/zinc/37/37/57/945373757.db2.gz WWVZWAFCKJEIRD-KDOFPFPSSA-N 1 0 352.862 3.588 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000660673963 945378343 /nfs/dbraw/zinc/37/83/43/945378343.db2.gz BFYQFOIFIUHMEZ-ZRNYENFQSA-N 1 0 365.562 3.558 20 30 FHEDRO C[C@@H](COc1cccc(F)c1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330163832 945383049 /nfs/dbraw/zinc/38/30/49/945383049.db2.gz VMRRBHNQRBRZDE-HNNXBMFYSA-N 1 0 363.477 3.504 20 30 FHEDRO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000330166936 945384387 /nfs/dbraw/zinc/38/43/87/945384387.db2.gz YMELJITVZHRIGO-IRXDYDNUSA-N 1 0 361.530 3.531 20 30 FHEDRO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000614516808 945392180 /nfs/dbraw/zinc/39/21/80/945392180.db2.gz RMZOYKQRRGVFQN-KRWDZBQOSA-N 1 0 367.880 3.854 20 30 FHEDRO CCNC(=O)c1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000507653083 945405002 /nfs/dbraw/zinc/40/50/02/945405002.db2.gz KHNVUWFSWAILAC-UHFFFAOYSA-N 1 0 361.489 3.930 20 30 FHEDRO CN(C)C(=O)c1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507653747 945406541 /nfs/dbraw/zinc/40/65/41/945406541.db2.gz NDAIKOVGYKDREI-UHFFFAOYSA-N 1 0 361.489 3.882 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCOC3(CCCC3)C2)C1 ZINC000330218945 945407476 /nfs/dbraw/zinc/40/74/76/945407476.db2.gz PAFTZTSDDZXSFF-HOJAQTOUSA-N 1 0 371.525 3.817 20 30 FHEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)C)n2)CC1 ZINC000330218465 945407507 /nfs/dbraw/zinc/40/75/07/945407507.db2.gz ORXYIUUFINKXJZ-IBGZPJMESA-N 1 0 369.513 3.685 20 30 FHEDRO CCC1CCC(N(C)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000330220574 945409159 /nfs/dbraw/zinc/40/91/59/945409159.db2.gz KXLQVHLGWRZAQS-PEVDHWGLSA-N 1 0 365.562 3.569 20 30 FHEDRO CC[NH+]1CCC(CCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)CC1 ZINC000330223604 945410860 /nfs/dbraw/zinc/41/08/60/945410860.db2.gz NDRXPDBPPJRWGS-CQSZACIVSA-N 1 0 358.486 3.540 20 30 FHEDRO C=CCOc1ccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000519445983 945416049 /nfs/dbraw/zinc/41/60/49/945416049.db2.gz MTELMFKZGUANTL-UHFFFAOYSA-N 1 0 371.525 3.705 20 30 FHEDRO O=C(CC1(O)CCCCC1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000330274363 945439276 /nfs/dbraw/zinc/43/92/76/945439276.db2.gz JYXSTHGAFRAVKN-SFHVURJKSA-N 1 0 362.539 3.646 20 30 FHEDRO CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)n1 ZINC000330275270 945439346 /nfs/dbraw/zinc/43/93/46/945439346.db2.gz LGJRNFPLZXEEBO-WBVHZDCISA-N 1 0 369.469 3.560 20 30 FHEDRO CSc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000454163032 945439491 /nfs/dbraw/zinc/43/94/91/945439491.db2.gz FXZIRAVAHNKGKK-SFHVURJKSA-N 1 0 354.479 3.705 20 30 FHEDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)CCC(=O)NC3CCCC3)C1)CCCC2 ZINC000330278902 945441429 /nfs/dbraw/zinc/44/14/29/945441429.db2.gz QFZVJQOIWFXTFI-QGZVFWFLSA-N 1 0 372.513 3.523 20 30 FHEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415012586 945477042 /nfs/dbraw/zinc/47/70/42/945477042.db2.gz STPDKVVHIJBDFL-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000519667258 945640161 /nfs/dbraw/zinc/64/01/61/945640161.db2.gz BHVRNUIEQRQQQS-UHFFFAOYSA-N 1 0 364.497 3.931 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661003378 945642342 /nfs/dbraw/zinc/64/23/42/945642342.db2.gz LFEZZTJZIGOLNE-FYZZASKESA-N 1 0 353.510 3.790 20 30 FHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1CCC(C#N)CC1 ZINC000281532044 945668246 /nfs/dbraw/zinc/66/82/46/945668246.db2.gz COCCDCRMKDCUOV-UHFFFAOYSA-N 1 0 356.514 3.658 20 30 FHEDRO C=C(C)[C@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)c(F)c1 ZINC000661036074 945680547 /nfs/dbraw/zinc/68/05/47/945680547.db2.gz DCZFHVFFVCFHLH-PBHICJAKSA-N 1 0 351.441 3.754 20 30 FHEDRO C=CCOc1ccccc1C[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000443996525 945690641 /nfs/dbraw/zinc/69/06/41/945690641.db2.gz JMMDDKVOMMDYMT-OAHLLOKOSA-N 1 0 365.395 3.610 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccsc1)C(C)C ZINC000444024327 945728928 /nfs/dbraw/zinc/72/89/28/945728928.db2.gz WWQDIRWBVLNYSU-KRWDZBQOSA-N 1 0 358.511 3.567 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@@]12CCc1ccccc12)C(C)C ZINC000440636324 945732668 /nfs/dbraw/zinc/73/26/68/945732668.db2.gz FLGKSEYTUBSHFQ-QZNHQXDQSA-N 1 0 352.522 3.705 20 30 FHEDRO C=CCC[C@@H](CC)[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000519753543 945734201 /nfs/dbraw/zinc/73/42/01/945734201.db2.gz FZJQMKDRCOKSLK-QGZVFWFLSA-N 1 0 355.482 3.890 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000661115805 945738182 /nfs/dbraw/zinc/73/81/82/945738182.db2.gz FDSGCRKSZNAWRK-GDBMZVCRSA-N 1 0 362.495 3.846 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000661115896 945739452 /nfs/dbraw/zinc/73/94/52/945739452.db2.gz VCASLYVVLHYXAN-YLJYHZDGSA-N 1 0 351.494 3.618 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000661118135 945744376 /nfs/dbraw/zinc/74/43/76/945744376.db2.gz WWLZYMBBNGBAOI-TZIWHRDSSA-N 1 0 370.537 3.576 20 30 FHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C#N)c(OC)c3)ccc2NC1=O ZINC000281575747 945774949 /nfs/dbraw/zinc/77/49/49/945774949.db2.gz CVPTZLJMSWZCQS-SCLBCKFNSA-N 1 0 365.433 3.527 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000111030333 945804910 /nfs/dbraw/zinc/80/49/10/945804910.db2.gz OTQWGTUQCGINNM-UHFFFAOYSA-N 1 0 350.462 3.777 20 30 FHEDRO CC[C@H](C#N)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000593419455 945827646 /nfs/dbraw/zinc/82/76/46/945827646.db2.gz VLEHQFKKQJKBHP-CJNGLKHVSA-N 1 0 355.404 3.754 20 30 FHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000439691383 945879122 /nfs/dbraw/zinc/87/91/22/945879122.db2.gz MTNSTZCGCGIOPG-LJQANCHMSA-N 1 0 364.449 3.815 20 30 FHEDRO CCCC[C@H](CC)C[N@@H+]1CCC2(CN(C(=O)c3ccc(C#N)cc3)C2)C1 ZINC001271562166 945883325 /nfs/dbraw/zinc/88/33/25/945883325.db2.gz NXVDSZKHRWYYHA-SFHVURJKSA-N 1 0 353.510 3.923 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000127080783 945923489 /nfs/dbraw/zinc/92/34/89/945923489.db2.gz QCZVPUZJVYAVAR-UZUQRXQVSA-N 1 0 373.456 3.916 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000127080121 945928993 /nfs/dbraw/zinc/92/89/93/945928993.db2.gz QCZVPUZJVYAVAR-SBUREZEXSA-N 1 0 373.456 3.916 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000045122463 945936326 /nfs/dbraw/zinc/93/63/26/945936326.db2.gz MJZZIPNUFCZFQF-UHFFFAOYSA-N 1 0 356.514 3.602 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@](C)(O)CC)cc1OCC ZINC000111384944 945938151 /nfs/dbraw/zinc/93/81/51/945938151.db2.gz VNOIGNHZQWJWQE-QGZVFWFLSA-N 1 0 372.303 3.663 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]1 ZINC000662796929 946011884 /nfs/dbraw/zinc/01/18/84/946011884.db2.gz DHVPXUCXRUTCHP-LRDDRELGSA-N 1 0 373.444 3.566 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000440910554 946023612 /nfs/dbraw/zinc/02/36/12/946023612.db2.gz JDTLKEXNCMTXLH-JSGCOSHPSA-N 1 0 368.399 3.625 20 30 FHEDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000125438816 946035883 /nfs/dbraw/zinc/03/58/83/946035883.db2.gz ITNJFHOGVZYOMU-KRWDZBQOSA-N 1 0 368.481 3.678 20 30 FHEDRO CSCCC[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925095972 946108866 /nfs/dbraw/zinc/10/88/66/946108866.db2.gz XDUMVTSYRFNCQI-HNNXBMFYSA-N 1 0 355.548 3.649 20 30 FHEDRO COC(=O)c1ccccc1OCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000543897476 946120477 /nfs/dbraw/zinc/12/04/77/946120477.db2.gz IEUHOKPOBICEHI-UHFFFAOYSA-N 1 0 362.429 3.513 20 30 FHEDRO C[C@H](NC(=[NH2+])NCc1ncccc1N(C)C)c1ccc(Cl)cc1Cl ZINC000262415920 946158503 /nfs/dbraw/zinc/15/85/03/946158503.db2.gz YXPKDRVXIYIFOP-NSHDSACASA-N 1 0 366.296 3.620 20 30 FHEDRO C=CCCC1(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000475456309 946162565 /nfs/dbraw/zinc/16/25/65/946162565.db2.gz BUIJRXJIKYVYPT-KRWDZBQOSA-N 1 0 373.516 3.891 20 30 FHEDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000104530987 946193097 /nfs/dbraw/zinc/19/30/97/946193097.db2.gz ALLXGYNBOXHPNG-UHFFFAOYSA-N 1 0 365.477 3.551 20 30 FHEDRO CCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000520171695 946224565 /nfs/dbraw/zinc/22/45/65/946224565.db2.gz ZJDZIMKOHKMKGS-KNQAVFIVSA-N 1 0 350.462 3.697 20 30 FHEDRO CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(F)cc1 ZINC000520174161 946245159 /nfs/dbraw/zinc/24/51/59/946245159.db2.gz WUELFCUVNMFQCA-UHFFFAOYSA-N 1 0 353.441 3.985 20 30 FHEDRO C=CC[N@@H+](CCC(=O)NCC1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000520197017 946255676 /nfs/dbraw/zinc/25/56/76/946255676.db2.gz OVRMZJLARPYSAJ-UHFFFAOYSA-N 1 0 359.470 3.669 20 30 FHEDRO CS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000441136229 946260158 /nfs/dbraw/zinc/26/01/58/946260158.db2.gz VGKJKQYGOFPJQR-VZDIDWBNSA-N 1 0 351.560 3.523 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@](C)(C#N)C3)cc2)C1 ZINC000595457565 946298303 /nfs/dbraw/zinc/29/83/03/946298303.db2.gz KPTOCZJHOXIGRJ-HMFYCAOWSA-N 1 0 368.525 3.610 20 30 FHEDRO C[C@@H]1[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520274162 946329727 /nfs/dbraw/zinc/32/97/27/946329727.db2.gz AFZFMIZFZOKLCW-DYESRHJHSA-N 1 0 361.489 3.881 20 30 FHEDRO C=CCCCCCN(C)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000661667020 946387367 /nfs/dbraw/zinc/38/73/67/946387367.db2.gz JBZWBYMPNRBTPL-UHFFFAOYSA-N 1 0 358.530 3.681 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167801 946409258 /nfs/dbraw/zinc/40/92/58/946409258.db2.gz KCEKXVVJYNBVKK-QGZVFWFLSA-N 1 0 359.495 3.876 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043168126 946409542 /nfs/dbraw/zinc/40/95/42/946409542.db2.gz JWYZLRIOTHOYIM-LJQANCHMSA-N 1 0 353.466 3.814 20 30 FHEDRO CC1(C)[C@H](NC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@H]2CCCO[C@@H]21 ZINC000262513109 946419517 /nfs/dbraw/zinc/41/95/17/946419517.db2.gz DWTTYYXAPUSCOH-MCIONIFRSA-N 1 0 357.376 3.515 20 30 FHEDRO Cc1onc(-c2ccccc2)c1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001141988401 946438312 /nfs/dbraw/zinc/43/83/12/946438312.db2.gz ULIBKPGIIWAEIH-UHFFFAOYSA-N 1 0 358.445 3.844 20 30 FHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)NC1(C#N)CCCCC1 ZINC000441357178 946476155 /nfs/dbraw/zinc/47/61/55/946476155.db2.gz NKNJMPLKWUVXQM-HXUWFJFHSA-N 1 0 355.526 3.981 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000101604363 946500910 /nfs/dbraw/zinc/50/09/10/946500910.db2.gz GISHQVKLJINLHO-UHFFFAOYSA-N 1 0 362.477 3.731 20 30 FHEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823894138 946503817 /nfs/dbraw/zinc/50/38/17/946503817.db2.gz INVMOVFQOYIQIA-YWZLYKJASA-N 1 0 363.465 3.511 20 30 FHEDRO N#Cc1ccccc1COc1cccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000066905336 946506412 /nfs/dbraw/zinc/50/64/12/946506412.db2.gz JSWSUTXPDBBZNG-DHIUTWEWSA-N 1 0 361.489 3.854 20 30 FHEDRO COc1cc2c(cc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)O[C@H](C)C2 ZINC000237293019 946550855 /nfs/dbraw/zinc/55/08/55/946550855.db2.gz NYRGOFXXQPKSBE-HUUCEWRRSA-N 1 0 352.434 3.599 20 30 FHEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000523007361 946585731 /nfs/dbraw/zinc/58/57/31/946585731.db2.gz IYWOYYCGJWDKFS-DNVCBOLYSA-N 1 0 358.869 3.514 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000664969001 946601562 /nfs/dbraw/zinc/60/15/62/946601562.db2.gz CHDWMBQJOITRHA-SCTDSRPQSA-N 1 0 359.539 3.904 20 30 FHEDRO CCc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000303720877 946667449 /nfs/dbraw/zinc/66/74/49/946667449.db2.gz WXVYXNJMWYXJLT-NRFANRHFSA-N 1 0 366.509 3.821 20 30 FHEDRO C[C@](C#N)(NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000550352248 946719023 /nfs/dbraw/zinc/71/90/23/946719023.db2.gz ZVXDWGYELZGECL-DENIHFKCSA-N 1 0 353.510 3.877 20 30 FHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508496218 946739325 /nfs/dbraw/zinc/73/93/25/946739325.db2.gz YOZAEUYGIHNELY-FQEVSTJZSA-N 1 0 367.541 3.973 20 30 FHEDRO C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000025866033 946743366 /nfs/dbraw/zinc/74/33/66/946743366.db2.gz MIZIVORAOAPHAH-DENIHFKCSA-N 1 0 350.462 3.502 20 30 FHEDRO C=C(C)C(=O)OCCNc1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001168073901 946748326 /nfs/dbraw/zinc/74/83/26/946748326.db2.gz RYHJQXCJQAVMOB-HXUWFJFHSA-N 1 0 367.493 3.696 20 30 FHEDRO C=CCC1([NH2+]Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)CCCC1 ZINC000661852235 946761383 /nfs/dbraw/zinc/76/13/83/946761383.db2.gz OVVNFOJPVFIJGU-UHFFFAOYSA-N 1 0 369.391 3.520 20 30 FHEDRO C[C@H](c1cccc(Cl)c1)N(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128504364 946800509 /nfs/dbraw/zinc/80/05/09/946800509.db2.gz RZMOSUYCXRSGLR-CQSZACIVSA-N 1 0 362.882 3.678 20 30 FHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000614803791 946863879 /nfs/dbraw/zinc/86/38/79/946863879.db2.gz FAYHYJYZUOTDDZ-UHFFFAOYSA-N 1 0 373.500 3.633 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(F)cc4cccnc43)CC2)cc1 ZINC000025934085 946905136 /nfs/dbraw/zinc/90/51/36/946905136.db2.gz QYAKEWMPZGXLML-UHFFFAOYSA-N 1 0 374.463 3.953 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000113323305 946927777 /nfs/dbraw/zinc/92/77/77/946927777.db2.gz POGSLLKEYZUZBJ-JOCHJYFZSA-N 1 0 362.473 3.542 20 30 FHEDRO CN(CCC#N)c1ccc(CN(CC[NH3+])c2ccc3ccccc3n2)cc1 ZINC000840956756 946931490 /nfs/dbraw/zinc/93/14/90/946931490.db2.gz DCYBRKAEMQGWQB-UHFFFAOYSA-N 1 0 359.477 3.550 20 30 FHEDRO [NH2+]=C(NCCc1nc(C(F)(F)F)cs1)Nc1ccc2c(c1)CCC2 ZINC000262553033 946935002 /nfs/dbraw/zinc/93/50/02/946935002.db2.gz ZMQVFQRQMOVCIM-UHFFFAOYSA-N 1 0 354.401 3.620 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(NC(=O)NC(C)C)cc1 ZINC000048784868 946955493 /nfs/dbraw/zinc/95/54/93/946955493.db2.gz PQMWBAUZAHWNLX-UHFFFAOYSA-N 1 0 351.450 3.518 20 30 FHEDRO Cc1cc(C)c(NC(=O)CNC(=O)NCC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000328619985 946960242 /nfs/dbraw/zinc/96/02/42/946960242.db2.gz WJYDUQFPBILANT-UHFFFAOYSA-N 1 0 372.513 3.578 20 30 FHEDRO C[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[N@H+](C)C1CC1 ZINC000609517833 946961047 /nfs/dbraw/zinc/96/10/47/946961047.db2.gz WASJSGCNDMDLMS-MRXNPFEDSA-N 1 0 363.461 3.757 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@@H](c4ncc[nH]4)C3)CC2)CC1 ZINC000328644682 946963856 /nfs/dbraw/zinc/96/38/56/946963856.db2.gz GBXTWIYZXORPTE-LMDPOFIKSA-N 1 0 373.545 3.546 20 30 FHEDRO COCCO[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000193127389 946971585 /nfs/dbraw/zinc/97/15/85/946971585.db2.gz MHGPDGRLNLLCEV-JOCHJYFZSA-N 1 0 364.489 3.624 20 30 FHEDRO N#CC1(CCC[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)CCOCC1 ZINC000281994550 946998109 /nfs/dbraw/zinc/99/81/09/946998109.db2.gz NBDPWALMSPVTFB-UHFFFAOYSA-N 1 0 370.493 3.917 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000328754958 947011891 /nfs/dbraw/zinc/01/18/91/947011891.db2.gz DXWZWUIWUIMCGW-UWJYYQICSA-N 1 0 372.513 3.612 20 30 FHEDRO CN1CCC([NH+]2CCC(NC(=O)c3coc(C4CCCCC4)n3)CC2)CC1 ZINC000328760882 947014573 /nfs/dbraw/zinc/01/45/73/947014573.db2.gz XVMLUEFSDIMSOC-UHFFFAOYSA-N 1 0 374.529 3.586 20 30 FHEDRO Cn1cc(CNc2[nH+]ccn2Cc2ccc(Br)cc2)cc1C#N ZINC000508500598 947021704 /nfs/dbraw/zinc/02/17/04/947021704.db2.gz OFAMPLZNKDLRMR-UHFFFAOYSA-N 1 0 370.254 3.516 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000614808569 947025536 /nfs/dbraw/zinc/02/55/36/947025536.db2.gz NKOWBRJODSXFJT-OAGGEKHMSA-N 1 0 364.449 3.945 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000328796498 947048934 /nfs/dbraw/zinc/04/89/34/947048934.db2.gz UUQQCUJCOFJZIN-YJYMSZOUSA-N 1 0 358.442 3.638 20 30 FHEDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444655716 947075266 /nfs/dbraw/zinc/07/52/66/947075266.db2.gz AYRYLQDRGHSRTJ-NRFANRHFSA-N 1 0 362.473 3.914 20 30 FHEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000598601507 947086334 /nfs/dbraw/zinc/08/63/34/947086334.db2.gz GOKAWCRDIZJPSA-HKUYNNGSSA-N 1 0 357.885 3.909 20 30 FHEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc(OC)c1OC ZINC000237277300 947088239 /nfs/dbraw/zinc/08/82/39/947088239.db2.gz JYSNARJYOWZLGJ-CABCVRRESA-N 1 0 370.449 3.854 20 30 FHEDRO C[C@H](CNC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000328941946 947094441 /nfs/dbraw/zinc/09/44/41/947094441.db2.gz FLKZVFLYQRPDME-MDZRGWNJSA-N 1 0 373.497 3.879 20 30 FHEDRO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000328957208 947100980 /nfs/dbraw/zinc/10/09/80/947100980.db2.gz PGSATSPBBVUUSI-YQVWRLOYSA-N 1 0 362.518 3.763 20 30 FHEDRO C[N@@H+]1C[C@H](NC(=O)CNC(=O)CC2CCCCC2)[C@H](c2ccccc2)C1 ZINC000328924500 947110596 /nfs/dbraw/zinc/11/05/96/947110596.db2.gz NQZNCZACRBKJGQ-OALUTQOASA-N 1 0 357.498 3.968 20 30 FHEDRO COC(=O)[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1C ZINC000444700366 947127327 /nfs/dbraw/zinc/12/73/27/947127327.db2.gz GARFAROHGVUCTN-GHTZIAJQSA-N 1 0 362.473 3.770 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000328973236 947129724 /nfs/dbraw/zinc/12/97/24/947129724.db2.gz AOHJJGLLAPKBSX-OAHLLOKOSA-N 1 0 363.527 3.525 20 30 FHEDRO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000328974966 947129937 /nfs/dbraw/zinc/12/99/37/947129937.db2.gz PUBOBTCAQWEYBH-LRXVAGHRSA-N 1 0 374.525 3.824 20 30 FHEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000328990239 947135612 /nfs/dbraw/zinc/13/56/12/947135612.db2.gz SCCIYILUPMWKQD-ZHALLVOQSA-N 1 0 372.509 3.848 20 30 FHEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000330380225 947163540 /nfs/dbraw/zinc/16/35/40/947163540.db2.gz UJPRGLFAGIPOMU-NSHDSACASA-N 1 0 363.260 3.530 20 30 FHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)C1 ZINC000330411924 947170000 /nfs/dbraw/zinc/17/00/00/947170000.db2.gz LOPKXTJJWFSYGW-UONOGXRCSA-N 1 0 352.548 3.737 20 30 FHEDRO COc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1Br ZINC000330483358 947181001 /nfs/dbraw/zinc/18/10/01/947181001.db2.gz VJYVOIXLXCSMTA-LBPRGKRZSA-N 1 0 370.291 3.658 20 30 FHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000330439324 947184472 /nfs/dbraw/zinc/18/44/72/947184472.db2.gz OBYVWQWJZIZQAK-UHFFFAOYSA-N 1 0 350.410 3.608 20 30 FHEDRO CC(C)NC(=O)Nc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000330517179 947188482 /nfs/dbraw/zinc/18/84/82/947188482.db2.gz XEUJCGQJTVOWON-UHFFFAOYSA-N 1 0 374.529 3.615 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC2CCC2)C(C)C)cc1 ZINC000444765031 947200552 /nfs/dbraw/zinc/20/05/52/947200552.db2.gz DECNKVXCFSNHQP-UHFFFAOYSA-N 1 0 357.498 3.842 20 30 FHEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CCCC1(C)C ZINC000444776815 947212513 /nfs/dbraw/zinc/21/25/13/947212513.db2.gz CPKPSTUODLBXGE-IBGZPJMESA-N 1 0 369.509 3.819 20 30 FHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000330587846 947221813 /nfs/dbraw/zinc/22/18/13/947221813.db2.gz YOPLZULLTHGQFW-CQSZACIVSA-N 1 0 362.474 3.711 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440561196 947223764 /nfs/dbraw/zinc/22/37/64/947223764.db2.gz UMSWSSDOUCOGMV-NRJQMVOHSA-N 1 0 370.493 3.615 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000662086438 947226373 /nfs/dbraw/zinc/22/63/73/947226373.db2.gz SEFJQACGTKDZMH-CALCHBBNSA-N 1 0 354.475 3.532 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 ZINC000301195997 947227441 /nfs/dbraw/zinc/22/74/41/947227441.db2.gz ZCCWZGPKJQBUME-UHFFFAOYSA-N 1 0 364.493 3.579 20 30 FHEDRO COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc(OC)c1C(C)C ZINC000330757928 947269486 /nfs/dbraw/zinc/26/94/86/947269486.db2.gz LGGRIYWUALCSGE-MRXNPFEDSA-N 1 0 363.502 3.645 20 30 FHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330860319 947287206 /nfs/dbraw/zinc/28/72/06/947287206.db2.gz RRGDMTPKLDQBLO-GFCCVEGCSA-N 1 0 352.410 3.570 20 30 FHEDRO CNC(=O)c1cc(NC(=O)C2(C[NH+](C)C)CCCCC2)ccc1Cl ZINC000330877678 947290523 /nfs/dbraw/zinc/29/05/23/947290523.db2.gz KTMLSWDWPULOQC-UHFFFAOYSA-N 1 0 351.878 3.725 20 30 FHEDRO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000248730023 947311001 /nfs/dbraw/zinc/31/10/01/947311001.db2.gz JAUBOAXYCGNFEG-YRISNDGFSA-N 1 0 363.461 3.643 20 30 FHEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1c2ccccc2-c2ccccc21 ZINC000599331199 947323346 /nfs/dbraw/zinc/32/33/46/947323346.db2.gz QPOQDNXKNONCNV-KRWDZBQOSA-N 1 0 362.473 3.760 20 30 FHEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(NC(=O)NC(C)C)CCCCC1 ZINC000331023156 947323897 /nfs/dbraw/zinc/32/38/97/947323897.db2.gz ZWHWGBJNOPKPFG-UHFFFAOYSA-N 1 0 374.529 3.610 20 30 FHEDRO CC(C)c1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(C(C)C)c1 ZINC000331156014 947359323 /nfs/dbraw/zinc/35/93/23/947359323.db2.gz DHKPAQNASPDLOA-IRXDYDNUSA-N 1 0 361.530 3.866 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000331172551 947362373 /nfs/dbraw/zinc/36/23/73/947362373.db2.gz OMULFTITDFADNT-KSSFIOAISA-N 1 0 367.921 3.792 20 30 FHEDRO CCn1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(C(F)(F)F)n1 ZINC000331229809 947365812 /nfs/dbraw/zinc/36/58/12/947365812.db2.gz PNYUNPCUXQKRDY-GFCCVEGCSA-N 1 0 360.424 3.737 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662151044 947366544 /nfs/dbraw/zinc/36/65/44/947366544.db2.gz DQJKCPPESVXIGM-UHFFFAOYSA-N 1 0 355.526 3.549 20 30 FHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccccc2OC(C)(C)C)CCSC1 ZINC000331279037 947376426 /nfs/dbraw/zinc/37/64/26/947376426.db2.gz JZCCKJOGKMTTOK-GOSISDBHSA-N 1 0 351.516 3.627 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2sc(C)c(C)c2C(=O)OC)C[C@@H]1C ZINC000331277776 947376821 /nfs/dbraw/zinc/37/68/21/947376821.db2.gz JOZMVDASXVFACJ-SMDDNHRTSA-N 1 0 367.515 3.502 20 30 FHEDRO COC(=O)c1c(C)c(C)sc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000331255827 947382025 /nfs/dbraw/zinc/38/20/25/947382025.db2.gz VVIFPZHMOBYHID-AWEZNQCLSA-N 1 0 367.515 3.503 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(NC(C)=O)ccc2Cl)C[C@@H]1C ZINC000331311250 947384868 /nfs/dbraw/zinc/38/48/68/947384868.db2.gz ZJQPPIGIHWXNSL-SWLSCSKDSA-N 1 0 366.893 3.649 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000331289631 947390157 /nfs/dbraw/zinc/39/01/57/947390157.db2.gz OXNBLUGOKZXLCE-WFASDCNBSA-N 1 0 368.403 3.927 20 30 FHEDRO CC(=O)Nc1cccc(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1C ZINC000331293999 947391373 /nfs/dbraw/zinc/39/13/73/947391373.db2.gz LUZDAHCQBFHHDP-QGZVFWFLSA-N 1 0 360.502 3.790 20 30 FHEDRO CCC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000331307275 947392971 /nfs/dbraw/zinc/39/29/71/947392971.db2.gz FGIOCAXZZDROMO-MSOLQXFVSA-N 1 0 359.514 3.951 20 30 FHEDRO C=CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000523607621 947414836 /nfs/dbraw/zinc/41/48/36/947414836.db2.gz MSWXNIPCXRKJBO-AWEZNQCLSA-N 1 0 374.706 3.740 20 30 FHEDRO COc1cc(C[NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)ccc1C#N ZINC000440631405 947429524 /nfs/dbraw/zinc/42/95/24/947429524.db2.gz YNFMYUBJZQESTE-MRXNPFEDSA-N 1 0 360.461 3.782 20 30 FHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CC1CCCCC1)c1ccccc1 ZINC000523623610 947453731 /nfs/dbraw/zinc/45/37/31/947453731.db2.gz PKMDGOSWWVLGRE-QFBILLFUSA-N 1 0 357.498 3.688 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)ccc1C#N ZINC000440639590 947464398 /nfs/dbraw/zinc/46/43/98/947464398.db2.gz SRFHACVZMJGXTF-SFHVURJKSA-N 1 0 366.461 3.580 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000663237120 947493573 /nfs/dbraw/zinc/49/35/73/947493573.db2.gz YPRVQDBONOUONO-SVFBPWRDSA-N 1 0 369.509 3.725 20 30 FHEDRO CCOc1ccc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)cc1OC ZINC000125730545 947544024 /nfs/dbraw/zinc/54/40/24/947544024.db2.gz XCWBLXLQKNGHJQ-UHFFFAOYSA-N 1 0 354.450 3.614 20 30 FHEDRO C=CC[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000189058146 947589200 /nfs/dbraw/zinc/58/92/00/947589200.db2.gz NWYGXBPKBQEBCC-NRFANRHFSA-N 1 0 352.478 3.603 20 30 FHEDRO Cc1noc(C[C@@H]([NH2+]CCCOc2ccc(C#N)cc2)c2ccccc2)n1 ZINC000759939061 947765706 /nfs/dbraw/zinc/76/57/06/947765706.db2.gz YNTQZNXYCPGEDW-HXUWFJFHSA-N 1 0 362.433 3.592 20 30 FHEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000613889582 947783954 /nfs/dbraw/zinc/78/39/54/947783954.db2.gz LWXYDYHKTQQCDJ-CQSZACIVSA-N 1 0 352.438 3.851 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)CCC[NH2+]1 ZINC000662459657 947830697 /nfs/dbraw/zinc/83/06/97/947830697.db2.gz LJOMWMLVUMQGKJ-HXUWFJFHSA-N 1 0 368.506 3.881 20 30 FHEDRO C=CC[C@]1(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CCC[NH2+]1 ZINC000662460880 947831570 /nfs/dbraw/zinc/83/15/70/947831570.db2.gz NTRUBRBNPOBMDC-HXUWFJFHSA-N 1 0 367.474 3.871 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCC[NH2+]1 ZINC000662461834 947832543 /nfs/dbraw/zinc/83/25/43/947832543.db2.gz FFZVTOYSBWONJR-SFHVURJKSA-N 1 0 363.433 3.649 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CCC[NH2+]1 ZINC000662473828 947842736 /nfs/dbraw/zinc/84/27/36/947842736.db2.gz MNTWBGQXSYADRP-JOCHJYFZSA-N 1 0 369.509 3.504 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)CCC[NH2+]1 ZINC000662477064 947844083 /nfs/dbraw/zinc/84/40/83/947844083.db2.gz RNOKIONHESZGBO-QFIPXVFZSA-N 1 0 363.461 3.600 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)CCC[NH2+]1 ZINC000662477062 947844436 /nfs/dbraw/zinc/84/44/36/947844436.db2.gz RNOKIONHESZGBO-JOCHJYFZSA-N 1 0 363.461 3.600 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc3nc(NC(=O)CCC)sc3c2)CCC[NH2+]1 ZINC000662488786 947862117 /nfs/dbraw/zinc/86/21/17/947862117.db2.gz WVGURQKHRDMQRU-IBGZPJMESA-N 1 0 372.494 3.672 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CCC[NH2+]1 ZINC000662501801 947871086 /nfs/dbraw/zinc/87/10/86/947871086.db2.gz FLEPCUPQFRIBNQ-HRAATJIYSA-N 1 0 360.498 3.606 20 30 FHEDRO C=CC[C@]1(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)CCC[NH2+]1 ZINC000662515216 947886355 /nfs/dbraw/zinc/88/63/55/947886355.db2.gz JAJZBKVILIIENL-JOCHJYFZSA-N 1 0 369.509 3.520 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)CCC[NH2+]1 ZINC000662524025 947887244 /nfs/dbraw/zinc/88/72/44/947887244.db2.gz SVLTWJHEVQEZCK-QFIPXVFZSA-N 1 0 369.509 3.728 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CCC[NH2+]1 ZINC000662664473 947967100 /nfs/dbraw/zinc/96/71/00/947967100.db2.gz YCKNDEOSZZIRGQ-FOIQADDNSA-N 1 0 355.507 3.701 20 30 FHEDRO C=CCC1(CNC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCCC1 ZINC000459047747 947998825 /nfs/dbraw/zinc/99/88/25/947998825.db2.gz CROHOTXSNBNXOC-FQEVSTJZSA-N 1 0 370.541 3.681 20 30 FHEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000132140732 948020539 /nfs/dbraw/zinc/02/05/39/948020539.db2.gz MXAATJRHOSLOHX-QGZVFWFLSA-N 1 0 367.411 3.574 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000663444398 948024230 /nfs/dbraw/zinc/02/42/30/948024230.db2.gz JMZLCRSUKIIKPQ-WSTZPKSXSA-N 1 0 369.509 3.725 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000663458359 948038963 /nfs/dbraw/zinc/03/89/63/948038963.db2.gz KJNIRVZFDJJLCF-SVFBPWRDSA-N 1 0 369.509 3.725 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)CC1 ZINC000190419588 948087372 /nfs/dbraw/zinc/08/73/72/948087372.db2.gz XUOOPTFLWOMPLM-HXUWFJFHSA-N 1 0 359.470 3.746 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)Cc1c(F)cccc1Cl)CC2 ZINC000574679223 948171959 /nfs/dbraw/zinc/17/19/59/948171959.db2.gz BKIATDILBJFOGF-VLIAUNLRSA-N 1 0 358.844 3.779 20 30 FHEDRO CC(C)COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000106469289 948192514 /nfs/dbraw/zinc/19/25/14/948192514.db2.gz KABUCXOIOCDTDF-UHFFFAOYSA-N 1 0 364.493 3.747 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC1 ZINC000106747231 948243107 /nfs/dbraw/zinc/24/31/07/948243107.db2.gz RJQRBLVMUQQGIQ-IBGZPJMESA-N 1 0 367.424 3.560 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Nc1ccc(C#N)cc1 ZINC000520553011 948275588 /nfs/dbraw/zinc/27/55/88/948275588.db2.gz VOXBIEBMBZYHMM-UHFFFAOYSA-N 1 0 352.438 3.923 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000280823950 948353548 /nfs/dbraw/zinc/35/35/48/948353548.db2.gz NSFJAPNWAVIKLQ-MDKPJZGXSA-N 1 0 355.482 3.572 20 30 FHEDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135164479 948387795 /nfs/dbraw/zinc/38/77/95/948387795.db2.gz VKFXUYCTQLBNEX-QGZVFWFLSA-N 1 0 355.526 3.860 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183801376 948470418 /nfs/dbraw/zinc/47/04/18/948470418.db2.gz FSFIWGKHQKKKKC-HKUYNNGSSA-N 1 0 365.562 3.795 20 30 FHEDRO CCn1nc(C)c(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)c1C ZINC000066995444 948504983 /nfs/dbraw/zinc/50/49/83/948504983.db2.gz LZBJNJRODXFOMP-UHFFFAOYSA-N 1 0 356.470 3.501 20 30 FHEDRO C#Cc1cncc(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)c1 ZINC000843693587 948690179 /nfs/dbraw/zinc/69/01/79/948690179.db2.gz NBDIWKACGWCGES-UHFFFAOYSA-N 1 0 365.502 3.893 20 30 FHEDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cccc(C#N)c1 ZINC000120421021 948752189 /nfs/dbraw/zinc/75/21/89/948752189.db2.gz XITFFTCUCXKLSK-UHFFFAOYSA-N 1 0 360.255 3.663 20 30 FHEDRO C=CCOc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000059983619 210079890 /nfs/dbraw/zinc/07/98/90/210079890.db2.gz AQGTWFJUBAVVGG-INIZCTEOSA-N 1 0 360.498 3.500 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000056937629 210069978 /nfs/dbraw/zinc/06/99/78/210069978.db2.gz NAMDKCOOFLTRSN-SFHVURJKSA-N 1 0 361.486 3.888 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000052406881 210062154 /nfs/dbraw/zinc/06/21/54/210062154.db2.gz OAMYUZCSRSABNV-UHFFFAOYSA-N 1 0 350.422 3.851 20 30 FHEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000015312569 211127150 /nfs/dbraw/zinc/12/71/50/211127150.db2.gz NHLIAYQGPLMLJS-FQEVSTJZSA-N 1 0 352.434 3.791 20 30 FHEDRO N#Cc1cccnc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012487194 132373672 /nfs/dbraw/zinc/37/36/72/132373672.db2.gz GZNLWWJTLLJHCF-UHFFFAOYSA-N 1 0 354.457 3.865 20 30 FHEDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c1C ZINC000568082072 567862121 /nfs/dbraw/zinc/86/21/21/567862121.db2.gz QTDIZHDOANRCAQ-FQEVSTJZSA-N 1 0 350.462 3.502 20 30 FHEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)CC3 ZINC000541847682 567977839 /nfs/dbraw/zinc/97/78/39/567977839.db2.gz NESXKXPRPLCMGD-INIZCTEOSA-N 1 0 355.445 3.643 20 30 FHEDRO N#CC1CCC([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000602520162 567987132 /nfs/dbraw/zinc/98/71/32/567987132.db2.gz FWDUKLDNJSFZQO-CKDBGZEDSA-N 1 0 362.315 3.947 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000602520855 567987177 /nfs/dbraw/zinc/98/71/77/567987177.db2.gz KNOAJIDRPDLQKS-GJZGRUSLSA-N 1 0 350.304 3.805 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000602525505 567987726 /nfs/dbraw/zinc/98/77/26/567987726.db2.gz IEYPZUCOFYRSRS-LSDHHAIUSA-N 1 0 350.304 3.805 20 30 FHEDRO N#CC1CCC([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000602527292 567987949 /nfs/dbraw/zinc/98/79/49/567987949.db2.gz OALHLJHITADNKU-UHFFFAOYSA-N 1 0 364.493 3.978 20 30 FHEDRO CC[C@H](C(=O)N1CCC([NH2+]C2CCC(C#N)CC2)CC1)c1ccccc1 ZINC000602529671 567988163 /nfs/dbraw/zinc/98/81/63/567988163.db2.gz QQGBOLKHBDKDDU-XTXLOEGASA-N 1 0 353.510 3.843 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000602529910 567988243 /nfs/dbraw/zinc/98/82/43/567988243.db2.gz PUTHOXNXSPERQO-KRWDZBQOSA-N 1 0 364.493 3.550 20 30 FHEDRO CC[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)N1CCc2ccccc2C1 ZINC000602512714 567989448 /nfs/dbraw/zinc/98/94/48/567989448.db2.gz SICKMBNZOIAQTF-WIYYLYMNSA-N 1 0 355.526 3.512 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000602514171 567989633 /nfs/dbraw/zinc/98/96/33/567989633.db2.gz IATUVXBEJYYQMF-GOSISDBHSA-N 1 0 365.477 3.849 20 30 FHEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602551130 567990735 /nfs/dbraw/zinc/99/07/35/567990735.db2.gz MTLIFXGDHGLKLO-PKOBYXMFSA-N 1 0 359.489 3.792 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000602534428 567992149 /nfs/dbraw/zinc/99/21/49/567992149.db2.gz SYYWVVZISSYVCZ-AWEZNQCLSA-N 1 0 351.288 3.984 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000602539292 567992746 /nfs/dbraw/zinc/99/27/46/567992746.db2.gz ISPRWEPGTZFHAI-AWEZNQCLSA-N 1 0 374.872 3.621 20 30 FHEDRO CC(=O)N(c1nc(C[NH2+]CCCCC#N)cs1)c1ccc(F)cc1F ZINC000602539478 567992791 /nfs/dbraw/zinc/99/27/91/567992791.db2.gz GOVMNRMVTHBUJD-UHFFFAOYSA-N 1 0 364.421 3.889 20 30 FHEDRO CN1CC[C@H]([NH2+]CCCCC#N)C[C@@H]1c1ccc(Br)cc1 ZINC000602541232 567992940 /nfs/dbraw/zinc/99/29/40/567992940.db2.gz OWEXUFRCQYBXGS-DLBZAZTESA-N 1 0 350.304 3.868 20 30 FHEDRO CC(C)(c1csc(NC(=O)[C@H]([NH3+])CCCCC#N)n1)c1ccccc1 ZINC000602578180 567993427 /nfs/dbraw/zinc/99/34/27/567993427.db2.gz KOSBEHCPRYDZQJ-OAHLLOKOSA-N 1 0 356.495 3.819 20 30 FHEDRO Cc1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c(OC[C@@H]2CCCO2)c1 ZINC000602567550 567995822 /nfs/dbraw/zinc/99/58/22/567995822.db2.gz FPFCXYVODGEDJO-ICSRJNTNSA-N 1 0 372.509 3.741 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000602614673 567997858 /nfs/dbraw/zinc/99/78/58/567997858.db2.gz FSGUTHCEHCOJGQ-AWEZNQCLSA-N 1 0 367.415 3.839 20 30 FHEDRO Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C[C@H](C)CCC#N ZINC000602597290 567999737 /nfs/dbraw/zinc/99/97/37/567999737.db2.gz AOJZRQDXOIWIBU-OXQOHEQNSA-N 1 0 352.482 3.802 20 30 FHEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602889717 568006845 /nfs/dbraw/zinc/00/68/45/568006845.db2.gz ZWUXJKUIUAHZOP-CQSZACIVSA-N 1 0 352.276 3.627 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000602671735 568008087 /nfs/dbraw/zinc/00/80/87/568008087.db2.gz VMJSWERRLAUVSZ-LBPRGKRZSA-N 1 0 352.360 3.871 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(Br)cc1OCCCO ZINC000602674497 568008704 /nfs/dbraw/zinc/00/87/04/568008704.db2.gz CXZJLDYVGLQSMC-UONOGXRCSA-N 1 0 369.303 3.801 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000602674943 568008785 /nfs/dbraw/zinc/00/87/85/568008785.db2.gz GQFMGJBCTLNOGO-INIZCTEOSA-N 1 0 374.554 3.742 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1cccc(Br)c1 ZINC000602689161 568011732 /nfs/dbraw/zinc/01/17/32/568011732.db2.gz SJDHXUDHCBZVFK-CQSZACIVSA-N 1 0 351.288 3.680 20 30 FHEDRO CN1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000602692837 568015606 /nfs/dbraw/zinc/01/56/06/568015606.db2.gz CBBBNIYFBLYQEO-LIRZEXBASA-N 1 0 362.315 3.866 20 30 FHEDRO COC1(c2noc(CC3CC[NH+](C[C@@H](C)CCC#N)CC3)n2)CCCC1 ZINC000602716104 568020098 /nfs/dbraw/zinc/02/00/98/568020098.db2.gz SRXDKDVXGDTUGU-INIZCTEOSA-N 1 0 360.502 3.680 20 30 FHEDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C(C)(C)C)cc1 ZINC000568321794 568024193 /nfs/dbraw/zinc/02/41/93/568024193.db2.gz BJAUGPYETSOBSV-UHFFFAOYSA-N 1 0 351.450 3.806 20 30 FHEDRO COc1ccc(C[N@H+](Cc2ccc(CC#N)cc2)[C@@H](C)CCCO)cc1 ZINC000602966785 568025003 /nfs/dbraw/zinc/02/50/03/568025003.db2.gz RDOAMZOLWJMOCB-SFHVURJKSA-N 1 0 352.478 3.924 20 30 FHEDRO CCC1([NH+](C)C)CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000602737968 568026467 /nfs/dbraw/zinc/02/64/67/568026467.db2.gz DWAJZWYFKDGUFT-UHFFFAOYSA-N 1 0 359.514 3.684 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[C@@H]1C#N ZINC000602976056 568036101 /nfs/dbraw/zinc/03/61/01/568036101.db2.gz KJVXKFDJSPRXGN-ABAIWWIYSA-N 1 0 368.250 3.541 20 30 FHEDRO C=CCN(CCc1ccccc1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000065959815 568063824 /nfs/dbraw/zinc/06/38/24/568063824.db2.gz SRVSDKFXZFUSDK-UHFFFAOYSA-N 1 0 374.492 3.737 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000481669418 568081101 /nfs/dbraw/zinc/08/11/01/568081101.db2.gz VFCRRSZYSZDXLT-FQEVSTJZSA-N 1 0 367.880 3.999 20 30 FHEDRO CCc1oc(C(=O)OC)cc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000481759286 568114440 /nfs/dbraw/zinc/11/44/40/568114440.db2.gz XHBYYEAFCMYWBY-UHFFFAOYSA-N 1 0 368.433 3.544 20 30 FHEDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000291378701 568128502 /nfs/dbraw/zinc/12/85/02/568128502.db2.gz ARINLPUAAUSKEH-OAQYLSRUSA-N 1 0 354.425 3.652 20 30 FHEDRO O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330288521 568131029 /nfs/dbraw/zinc/13/10/29/568131029.db2.gz DBTYJXCJTSPALP-IEBWSBKVSA-N 1 0 373.472 3.685 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000603823249 568149990 /nfs/dbraw/zinc/14/99/90/568149990.db2.gz UBKNNKOAYXMHMW-DCGLDWPTSA-N 1 0 355.404 3.799 20 30 FHEDRO CC(C)(c1nc(CC23CCC[NH+]2CCC3)no1)c1cc(F)cc(C#N)c1 ZINC000568739623 568151118 /nfs/dbraw/zinc/15/11/18/568151118.db2.gz QAWOYBKSFFDGGN-UHFFFAOYSA-N 1 0 354.429 3.577 20 30 FHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000603839269 568161038 /nfs/dbraw/zinc/16/10/38/568161038.db2.gz JBZABYGOLKJMQY-UHFFFAOYSA-N 1 0 366.440 3.746 20 30 FHEDRO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)CCCCC1 ZINC000603889894 568177293 /nfs/dbraw/zinc/17/72/93/568177293.db2.gz CRAPFIIKETWWDN-GOSISDBHSA-N 1 0 364.493 3.690 20 30 FHEDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181914236 568195500 /nfs/dbraw/zinc/19/55/00/568195500.db2.gz GBXIQKXBNAITAD-OXJNMPFZSA-N 1 0 369.534 3.686 20 30 FHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000330308176 568222063 /nfs/dbraw/zinc/22/20/63/568222063.db2.gz SPBNQXGRJQXKJK-BEFAXECRSA-N 1 0 358.442 3.638 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000482126149 568274595 /nfs/dbraw/zinc/27/45/95/568274595.db2.gz LSFNVKXXQXCIGC-AYBZRNKSSA-N 1 0 374.529 3.585 20 30 FHEDRO C[C@@H](CNc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000303434943 568277996 /nfs/dbraw/zinc/27/79/96/568277996.db2.gz GQUBBWGLSFCEOE-INIZCTEOSA-N 1 0 354.885 3.834 20 30 FHEDRO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604468389 568297493 /nfs/dbraw/zinc/29/74/93/568297493.db2.gz XHQODFOWCOYEBH-XMSQKQJNSA-N 1 0 364.489 3.793 20 30 FHEDRO CC(C)c1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000604468381 568297500 /nfs/dbraw/zinc/29/75/00/568297500.db2.gz WFPQIJDOFDZBKV-OAQYLSRUSA-N 1 0 352.478 3.748 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000569180317 568304946 /nfs/dbraw/zinc/30/49/46/568304946.db2.gz QBPIIAXNRWKHSJ-OAQYLSRUSA-N 1 0 358.445 3.781 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000604608345 568326191 /nfs/dbraw/zinc/32/61/91/568326191.db2.gz NXENMTZENZOUEV-NHCUHLMSSA-N 1 0 369.530 3.945 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)C(C)C ZINC000604746789 568356403 /nfs/dbraw/zinc/35/64/03/568356403.db2.gz ITBQISQEIKWIDQ-GPMSIDNRSA-N 1 0 362.464 3.883 20 30 FHEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569533087 568405937 /nfs/dbraw/zinc/40/59/37/568405937.db2.gz BDLJWGXDIYSAQS-FQEVSTJZSA-N 1 0 362.477 3.982 20 30 FHEDRO COCC[N@H+](C)CC[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000569633616 568411250 /nfs/dbraw/zinc/41/12/50/568411250.db2.gz GLMMTZDCMCTGLR-IBGZPJMESA-N 1 0 368.437 3.588 20 30 FHEDRO Cc1noc(C[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)c2ccccc2)n1 ZINC000365289917 568427850 /nfs/dbraw/zinc/42/78/50/568427850.db2.gz HKQZVMHXZZCTSW-FUHYEJFZSA-N 1 0 358.445 3.875 20 30 FHEDRO Cc1nc(SCC(=O)Nc2ccc([C@H](C)[NH3+])cc2)c(C#N)c(C)c1C ZINC000569937721 568435301 /nfs/dbraw/zinc/43/53/01/568435301.db2.gz UGPRIDUOJUEWPS-ZDUSSCGKSA-N 1 0 354.479 3.629 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC(=O)N(c3ccc(Cl)c(F)c3)C1)CC2 ZINC000569974619 568445395 /nfs/dbraw/zinc/44/53/95/568445395.db2.gz VBVMTVPXKQQAGE-AUUYWEPGSA-N 1 0 369.827 3.733 20 30 FHEDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)n2c3ccccc3nc2c1C#N ZINC000570232622 568463811 /nfs/dbraw/zinc/46/38/11/568463811.db2.gz BIDYKPVQMIBLOJ-LPHOPBHVSA-N 1 0 359.477 3.731 20 30 FHEDRO CC[N@H+](CCC1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1)CC(C)C ZINC000570419160 568475410 /nfs/dbraw/zinc/47/54/10/568475410.db2.gz CCUVMGCOZBXCNV-UHFFFAOYSA-N 1 0 359.489 3.918 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc(OC)c1OC ZINC000570575815 568486984 /nfs/dbraw/zinc/48/69/84/568486984.db2.gz OWFIJVTZRJJPMC-GOSISDBHSA-N 1 0 352.434 3.751 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@H]1CCOc2ccccc21)C(C)C ZINC000605128117 568580179 /nfs/dbraw/zinc/58/01/79/568580179.db2.gz XJURCHPFUDDINP-QUCCMNQESA-N 1 0 356.510 3.758 20 30 FHEDRO COc1ccc([C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 ZINC000182053121 568701890 /nfs/dbraw/zinc/70/18/90/568701890.db2.gz ZJCCYSRWSFVWQM-OAQYLSRUSA-N 1 0 351.450 3.882 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000324151073 568730233 /nfs/dbraw/zinc/73/02/33/568730233.db2.gz BOHCGOYEDSYXCM-IUODEOHRSA-N 1 0 365.260 3.956 20 30 FHEDRO N#Cc1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)c1 ZINC000737730328 598888132 /nfs/dbraw/zinc/88/81/32/598888132.db2.gz IHJVQPBGDDYJJK-UHFFFAOYSA-N 1 0 372.457 3.757 20 30 FHEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)c2)s1 ZINC000737708777 598888146 /nfs/dbraw/zinc/88/81/46/598888146.db2.gz GYMKMQXAMQKPBF-UHFFFAOYSA-N 1 0 372.457 3.757 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1nccc2ccccc21 ZINC000823914451 608631881 /nfs/dbraw/zinc/63/18/81/608631881.db2.gz IWZUDPUQDXTXBA-UHFFFAOYSA-N 1 0 356.433 3.603 20 30 FHEDRO N#Cc1cc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)cc(Cl)n1 ZINC001164417123 718892289 /nfs/dbraw/zinc/89/22/89/718892289.db2.gz ICDUWWFGVCXGDI-OAHLLOKOSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626492 719051644 /nfs/dbraw/zinc/05/16/44/719051644.db2.gz SBMABDWATHWGFO-MSOLQXFVSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC001164630161 719097251 /nfs/dbraw/zinc/09/72/51/719097251.db2.gz VSOUFTUUTPWOSC-DENIHFKCSA-N 1 0 358.489 3.543 20 30 FHEDRO N#Cc1c2c(cnc1N1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC001164628583 719113243 /nfs/dbraw/zinc/11/32/43/719113243.db2.gz NOMIRIUMYGQICH-REWPJTCUSA-N 1 0 372.516 3.933 20 30 FHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)c(C#N)cn2)CC3)cs1 ZINC001164692598 719807493 /nfs/dbraw/zinc/80/74/93/719807493.db2.gz KOYMHSJMUDKHJO-UHFFFAOYSA-N 1 0 367.522 3.662 20 30 FHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nccc3ccc(C#N)cc31)[C@@H]2C ZINC001164857959 720950157 /nfs/dbraw/zinc/95/01/57/720950157.db2.gz IMDUVKYAZSYVSU-MRXNPFEDSA-N 1 0 374.492 3.724 20 30 FHEDRO CSc1nc(-c2ccccc2)nc(N(C)CC2CC[NH+](C)CC2)c1C#N ZINC001165041272 721935175 /nfs/dbraw/zinc/93/51/75/721935175.db2.gz NSDISRDMZMIAKV-UHFFFAOYSA-N 1 0 367.522 3.515 20 30 FHEDRO N#Cc1cc(C(F)(F)N2CCCC[C@H]2CC[NH+]2CCCC2)cc(Cl)n1 ZINC001165048877 721969882 /nfs/dbraw/zinc/96/98/82/721969882.db2.gz PBMXFGDKTHEOIW-INIZCTEOSA-N 1 0 368.859 3.996 20 30 FHEDRO CC[NH+](CC)C1CCN(c2ccc([C@@H](C#N)c3ccc(C)cc3)nn2)CC1 ZINC001165051961 722000743 /nfs/dbraw/zinc/00/07/43/722000743.db2.gz KOHMJGXJTWCJNP-FQEVSTJZSA-N 1 0 363.509 3.751 20 30 FHEDRO Cc1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164994225 722193730 /nfs/dbraw/zinc/19/37/30/722193730.db2.gz LVJNFWWHOKBLIT-NRFANRHFSA-N 1 0 350.441 3.646 20 30 FHEDRO Cc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1C#N ZINC001164995603 722197664 /nfs/dbraw/zinc/19/76/64/722197664.db2.gz VZQGICCHSFXSPY-OAQYLSRUSA-N 1 0 350.441 3.646 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000162139521 936352735 /nfs/dbraw/zinc/35/27/35/936352735.db2.gz TZSQFSZSFFQIKA-AWEZNQCLSA-N 1 0 365.315 3.709 20 30 FHEDRO CC(C)c1noc(CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000583030308 936379466 /nfs/dbraw/zinc/37/94/66/936379466.db2.gz NKHGOBANKJJAJB-UHFFFAOYSA-N 1 0 352.360 3.806 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507241584 945068019 /nfs/dbraw/zinc/06/80/19/945068019.db2.gz ALJZTBWSQFVKHC-RYUDHWBXSA-N 1 0 367.840 3.766 20 30 FHEDRO N#CC1(NC(=O)CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000579717724 927167061 /nfs/dbraw/zinc/16/70/61/927167061.db2.gz IRFZCKIIRPXNJZ-LJQANCHMSA-N 1 0 371.550 3.727 20 30 FHEDRO C=CCn1c(SCC[C@H]2CCC[N@@H+]2C)nnc1-c1ccccc1OC ZINC000153931618 937139905 /nfs/dbraw/zinc/13/99/05/937139905.db2.gz SYYMLTVCYARRSI-OAHLLOKOSA-N 1 0 358.511 3.716 20 30 FHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000430156682 927404343 /nfs/dbraw/zinc/40/43/43/927404343.db2.gz OCCAEQQGXILSLH-MRXNPFEDSA-N 1 0 363.339 3.505 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000186973150 927688108 /nfs/dbraw/zinc/68/81/08/927688108.db2.gz FHEBRTRLFGNQOX-ICSRJNTNSA-N 1 0 365.521 3.703 20 30 FHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167070360 928199276 /nfs/dbraw/zinc/19/92/76/928199276.db2.gz RHKUNLMHVSGENH-UHFFFAOYSA-N 1 0 374.822 3.797 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000510097606 928235134 /nfs/dbraw/zinc/23/51/34/928235134.db2.gz BVOQWHWGOXQOMP-FQEVSTJZSA-N 1 0 367.493 3.857 20 30 FHEDRO CCCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)NC(C)(C)C)cc1 ZINC000274794128 928380554 /nfs/dbraw/zinc/38/05/54/928380554.db2.gz QRBVJTPFBVEZRV-UHFFFAOYSA-O 1 0 374.530 3.858 20 30 FHEDRO CCCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)N[C@@H](C)CC)cc1 ZINC000274796190 928421413 /nfs/dbraw/zinc/42/14/13/928421413.db2.gz RJDAEASWZBITTR-ZDUSSCGKSA-O 1 0 374.530 3.858 20 30 FHEDRO CC(C)CCC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccccc1 ZINC000254950785 928472415 /nfs/dbraw/zinc/47/24/15/928472415.db2.gz YCPYPJZICSBDHN-MKSIGINJSA-N 1 0 355.482 3.670 20 30 FHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)cc1 ZINC000274806038 928601007 /nfs/dbraw/zinc/60/10/07/928601007.db2.gz SOKLISPBIKQKIL-OAHLLOKOSA-N 1 0 359.919 3.683 20 30 FHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000248163885 937281146 /nfs/dbraw/zinc/28/11/46/937281146.db2.gz NDPJEZGPFDDBEN-PXNSSMCTSA-N 1 0 371.525 3.588 20 30 FHEDRO C(=[NH+]NCc1ccc(-c2ccccc2)cc1)c1cnc(N2CCCC2)nc1 ZINC000748085646 928896962 /nfs/dbraw/zinc/89/69/62/928896962.db2.gz LMWINSKSBIQJFT-UHFFFAOYSA-N 1 0 357.461 3.868 20 30 FHEDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000155104138 937284285 /nfs/dbraw/zinc/28/42/85/937284285.db2.gz RXLYEEORCZEJKG-INIZCTEOSA-N 1 0 354.498 3.968 20 30 FHEDRO C[C@@](C#N)(NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000052220540 937285799 /nfs/dbraw/zinc/28/57/99/937285799.db2.gz GCXRSDRJURJYIA-SFHVURJKSA-N 1 0 366.292 3.766 20 30 FHEDRO N#CC1(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CCC1 ZINC000134472491 928940343 /nfs/dbraw/zinc/94/03/43/928940343.db2.gz GIUCGJAQDRJLRE-UHFFFAOYSA-N 1 0 359.473 3.614 20 30 FHEDRO C=CCC(CC=C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000150860627 937292545 /nfs/dbraw/zinc/29/25/45/937292545.db2.gz RAUFVJNOLJUJND-HXUWFJFHSA-N 1 0 369.509 3.560 20 30 FHEDRO CC[N@H+](C)CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000535616543 928993811 /nfs/dbraw/zinc/99/38/11/928993811.db2.gz JGZYHXFMKJLMIP-UHFFFAOYSA-N 1 0 357.841 3.685 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000246211569 929320031 /nfs/dbraw/zinc/32/00/31/929320031.db2.gz YAKUJHMVENKGPO-JKSUJKDBSA-N 1 0 358.461 3.816 20 30 FHEDRO C=CCCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001209200097 929491927 /nfs/dbraw/zinc/49/19/27/929491927.db2.gz GOPDILWXXQCTMQ-IFMALSPDSA-N 1 0 356.510 3.786 20 30 FHEDRO N#Cc1cnc2c(F)ccc(F)c2c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000610245044 929539274 /nfs/dbraw/zinc/53/92/74/929539274.db2.gz CQZOHWSFGGYWCX-UHFFFAOYSA-N 1 0 364.399 3.707 20 30 FHEDRO C[NH+](C)[C@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)c1ccccc1 ZINC000610244906 929547374 /nfs/dbraw/zinc/54/73/74/929547374.db2.gz AKMCZELSYBVAQQ-QGZVFWFLSA-N 1 0 352.388 3.521 20 30 FHEDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000023677899 929693184 /nfs/dbraw/zinc/69/31/84/929693184.db2.gz WBTGDDZGVMDSRM-AZUAARDMSA-N 1 0 358.869 3.887 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1C#N ZINC000134969265 929700067 /nfs/dbraw/zinc/70/00/67/929700067.db2.gz FZHQYEGLVQKLIC-SFHVURJKSA-N 1 0 350.418 3.675 20 30 FHEDRO COCC#CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000683680207 929765300 /nfs/dbraw/zinc/76/53/00/929765300.db2.gz IXNZTCABQZKGAQ-INIZCTEOSA-N 1 0 356.491 3.648 20 30 FHEDRO COc1ccc(CN(Cc2ccccc2OC)C[C@@H]2CCCO2)cc1C#N ZINC000134985334 929771500 /nfs/dbraw/zinc/77/15/00/929771500.db2.gz SVXUVNJCMZEYJM-FQEVSTJZSA-N 1 0 366.461 3.757 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)ccc1OC ZINC000123262907 929956001 /nfs/dbraw/zinc/95/60/01/929956001.db2.gz FCSBWWOQWORJMK-XLIONFOSSA-N 1 0 355.478 3.732 20 30 FHEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C#N)cc1 ZINC000278215868 937375280 /nfs/dbraw/zinc/37/52/80/937375280.db2.gz IINBAXHNCHCFCA-OAQYLSRUSA-N 1 0 367.468 3.899 20 30 FHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000610331075 929981725 /nfs/dbraw/zinc/98/17/25/929981725.db2.gz NKKBYTVQSNEAKJ-AWEZNQCLSA-N 1 0 354.376 3.571 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000609355943 929992822 /nfs/dbraw/zinc/99/28/22/929992822.db2.gz MQGQQHWUDLZJSA-LJQANCHMSA-N 1 0 354.498 3.970 20 30 FHEDRO CCCc1cc[n+](C(C(=O)c2nccs2)C(=S)NC(C)(C)C)cc1 ZINC000278223068 937384240 /nfs/dbraw/zinc/38/42/40/937384240.db2.gz JJZMBQRDERRXGX-UHFFFAOYSA-O 1 0 362.544 3.710 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1Br ZINC000610346168 930046673 /nfs/dbraw/zinc/04/66/73/930046673.db2.gz NGYMDHFZGMZMCO-CHWSQXEVSA-N 1 0 372.266 3.999 20 30 FHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610347421 930053365 /nfs/dbraw/zinc/05/33/65/930053365.db2.gz MBRWECLCOQJEQN-KRWDZBQOSA-N 1 0 364.493 3.960 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000610348943 930065573 /nfs/dbraw/zinc/06/55/73/930065573.db2.gz CZKBNIDURYDECO-FVJLSDCUSA-N 1 0 362.477 3.754 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000610350348 930086167 /nfs/dbraw/zinc/08/61/67/930086167.db2.gz SNXUICCFMQYHPA-OXQOHEQNSA-N 1 0 350.466 3.530 20 30 FHEDRO C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000610356384 930109010 /nfs/dbraw/zinc/10/90/10/930109010.db2.gz QNYBMCXJQHACKJ-UWJYYQICSA-N 1 0 362.477 3.756 20 30 FHEDRO C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000580045016 930173966 /nfs/dbraw/zinc/17/39/66/930173966.db2.gz MDPDNXSOJAQNBZ-WQTXXOFMSA-N 1 0 374.488 3.632 20 30 FHEDRO CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000118880635 930184540 /nfs/dbraw/zinc/18/45/40/930184540.db2.gz UUJZKEVXILGJEG-GOSISDBHSA-N 1 0 369.509 3.503 20 30 FHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000580074631 930211159 /nfs/dbraw/zinc/21/11/59/930211159.db2.gz CPQDXWOGONDYEG-CVEARBPZSA-N 1 0 366.465 3.693 20 30 FHEDRO CCN(CC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001125419302 930226659 /nfs/dbraw/zinc/22/66/59/930226659.db2.gz WQXYAPVSOKDVGS-FCHUYYIVSA-N 1 0 361.489 3.583 20 30 FHEDRO Cn1cc(C[NH2+]C[C@@H]2CC23CCSCC3)c(-c2ccc(C#N)cc2)n1 ZINC000579460824 930246357 /nfs/dbraw/zinc/24/63/57/930246357.db2.gz PKNZYSNHSNJAJN-SFHVURJKSA-N 1 0 352.507 3.582 20 30 FHEDRO CC[NH+]1CCC(NC(=O)C[C@H](CC#N)c2ccccc2)(C(F)(F)F)CC1 ZINC000891215209 930249305 /nfs/dbraw/zinc/24/93/05/930249305.db2.gz XPDMKOSCDNSQIY-INIZCTEOSA-N 1 0 367.415 3.607 20 30 FHEDRO C#Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000050053109 930384826 /nfs/dbraw/zinc/38/48/26/930384826.db2.gz YLBZWDYVPFOVRJ-QGZVFWFLSA-N 1 0 353.491 3.763 20 30 FHEDRO CC(C)n1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000580287057 930440235 /nfs/dbraw/zinc/44/02/35/930440235.db2.gz ZDNDMTYLASSZFD-CYBMUJFWSA-N 1 0 359.861 3.668 20 30 FHEDRO CCc1oc2ccccc2c1C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000611767204 937417398 /nfs/dbraw/zinc/41/73/98/937417398.db2.gz FFNMDQWBGHAWJR-BTYIYWSLSA-N 1 0 355.482 3.870 20 30 FHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2)C1 ZINC000583421961 937430917 /nfs/dbraw/zinc/43/09/17/937430917.db2.gz VTYIIXWWDXRHLE-HTAPYJJXSA-N 1 0 367.493 3.820 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000583429066 937435448 /nfs/dbraw/zinc/43/54/48/937435448.db2.gz BAJDHQQATPIQSG-OAHLLOKOSA-N 1 0 366.490 3.831 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160505214 930694830 /nfs/dbraw/zinc/69/48/30/930694830.db2.gz DUUKSDRDCXQFMI-MJGOQNOKSA-N 1 0 365.562 3.795 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(CC#N)cc2)ccc1OCC(F)(F)F ZINC000580550756 930843405 /nfs/dbraw/zinc/84/34/05/930843405.db2.gz SKAVHUUTKOTAQC-UHFFFAOYSA-N 1 0 364.367 3.992 20 30 FHEDRO C=CCn1c(C2CCCC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580640199 930959780 /nfs/dbraw/zinc/95/97/80/930959780.db2.gz WBIUWZGJXUXTQV-FQEVSTJZSA-N 1 0 365.525 3.832 20 30 FHEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000077176893 931131723 /nfs/dbraw/zinc/13/17/23/931131723.db2.gz XNHUTKMXUPQTDD-JXFKEZNVSA-N 1 0 372.896 3.709 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000068884419 931169073 /nfs/dbraw/zinc/16/90/73/931169073.db2.gz WCSIPVUNNCTLOZ-RTBURBONSA-N 1 0 368.525 3.624 20 30 FHEDRO Cc1cc(Br)ccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000261669657 931179189 /nfs/dbraw/zinc/17/91/89/931179189.db2.gz OYYWQYVFKPAQMN-INIZCTEOSA-N 1 0 374.282 3.686 20 30 FHEDRO COCc1ccccc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160655705 931247430 /nfs/dbraw/zinc/24/74/30/931247430.db2.gz MMIABOYGCGLUST-UHFFFAOYSA-N 1 0 353.344 3.658 20 30 FHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(C#N)cc1F ZINC000580861016 931276366 /nfs/dbraw/zinc/27/63/66/931276366.db2.gz QMCQMEBBFYFIAO-HXUWFJFHSA-N 1 0 352.457 3.579 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000115561555 931296257 /nfs/dbraw/zinc/29/62/57/931296257.db2.gz KSTOFXPJHBGLNT-UHFFFAOYSA-N 1 0 351.425 3.938 20 30 FHEDRO C=CCn1ncc2ccc(NC(=O)N(C)[C@H]3CC[N@@H+](CC)[C@@H](C)C3)cc21 ZINC000933072971 931464157 /nfs/dbraw/zinc/46/41/57/931464157.db2.gz NKJBSWIUFHRLRQ-YJBOKZPZSA-N 1 0 355.486 3.559 20 30 FHEDRO N#Cc1cnccc1NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000548154020 931536942 /nfs/dbraw/zinc/53/69/42/931536942.db2.gz KHXLHRYQSBYDHV-FQEVSTJZSA-N 1 0 360.486 3.648 20 30 FHEDRO COc1ccccc1OC[C@@H](C)CNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000160762624 931562318 /nfs/dbraw/zinc/56/23/18/931562318.db2.gz TXKLGOQZUHKTKI-INIZCTEOSA-N 1 0 371.481 3.924 20 30 FHEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000588397736 931584668 /nfs/dbraw/zinc/58/46/68/931584668.db2.gz ALQAXTNKYXKZSW-INIZCTEOSA-N 1 0 369.421 3.852 20 30 FHEDRO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC000187376095 931585965 /nfs/dbraw/zinc/58/59/65/931585965.db2.gz SFZZXOJYBAUNTG-AWEZNQCLSA-N 1 0 365.380 3.534 20 30 FHEDRO C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000581208369 931676455 /nfs/dbraw/zinc/67/64/55/931676455.db2.gz ODWSZNLQMXWUJE-WMLDXEAASA-N 1 0 365.437 3.514 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NC1(c2ccccc2F)CC1)C(C)C ZINC000581217773 931691830 /nfs/dbraw/zinc/69/18/30/931691830.db2.gz NWZWWGFBPZDUBW-LJQANCHMSA-N 1 0 359.489 3.813 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(-n4ccnc4)c3)CC2)cc1 ZINC000581385877 931928629 /nfs/dbraw/zinc/92/86/29/931928629.db2.gz VWFMUMVDLIPNTL-UHFFFAOYSA-N 1 0 357.461 3.503 20 30 FHEDRO COc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C#N ZINC000135108926 931935075 /nfs/dbraw/zinc/93/50/75/931935075.db2.gz KJRCAWBFRGCUMM-UHFFFAOYSA-N 1 0 367.405 3.518 20 30 FHEDRO C[C@H]1C[C@H](N(C)C(=O)C2(C#N)CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000933261075 931995787 /nfs/dbraw/zinc/99/57/87/931995787.db2.gz YJKAVVACSOHQGC-PKOBYXMFSA-N 1 0 371.550 3.535 20 30 FHEDRO C=CCCN(C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276182848 932014701 /nfs/dbraw/zinc/01/47/01/932014701.db2.gz VTGLJAMUGMZLMR-RHSMWYFYSA-N 1 0 353.869 3.689 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1cccc(C(F)F)c1)C(C)C ZINC000780851752 932018599 /nfs/dbraw/zinc/01/85/99/932018599.db2.gz DGLQNKDTHHGKLR-QGZVFWFLSA-N 1 0 372.481 3.601 20 30 FHEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558738078 932239216 /nfs/dbraw/zinc/23/92/16/932239216.db2.gz OXAVOPDUKXDISM-RJGXRXQPSA-N 1 0 350.506 3.571 20 30 FHEDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000157838021 932349798 /nfs/dbraw/zinc/34/97/98/932349798.db2.gz GROWEGPMJQIIQM-NRFANRHFSA-N 1 0 350.462 3.853 20 30 FHEDRO CC[N@H+](CCCOc1cccc(C#N)c1)Cc1ccc(OC)c(OC)c1 ZINC000477150427 932352395 /nfs/dbraw/zinc/35/23/95/932352395.db2.gz LFRNXELATDOOTC-UHFFFAOYSA-N 1 0 354.450 3.866 20 30 FHEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000156311393 932356142 /nfs/dbraw/zinc/35/61/42/932356142.db2.gz UPTGJSZJTCFFRV-RTWAWAEBSA-N 1 0 370.880 3.691 20 30 FHEDRO C=C(C)C[C@H](NC(C)=O)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000656748206 932384676 /nfs/dbraw/zinc/38/46/76/932384676.db2.gz URAOWZGNCXAQTE-IBGZPJMESA-N 1 0 368.481 3.866 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)cc1C#N ZINC000157929375 932630964 /nfs/dbraw/zinc/63/09/64/932630964.db2.gz JORRXDLBWNMIPC-MRXNPFEDSA-N 1 0 370.497 3.826 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000548287946 932832793 /nfs/dbraw/zinc/83/27/93/932832793.db2.gz LHGTVDRAFYGGJS-HXUWFJFHSA-N 1 0 367.880 3.852 20 30 FHEDRO N#CCC1(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000430676105 932859364 /nfs/dbraw/zinc/85/93/64/932859364.db2.gz AWGOWCSSMYVNGC-UHFFFAOYSA-N 1 0 374.916 3.545 20 30 FHEDRO CON=Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000255373531 932863890 /nfs/dbraw/zinc/86/38/90/932863890.db2.gz KQLCGJISPUPAGC-IEBWSBKVSA-N 1 0 371.506 3.541 20 30 FHEDRO C=CC[C@@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000548299262 932887834 /nfs/dbraw/zinc/88/78/34/932887834.db2.gz LHTPEFKSXGCKRS-JOCHJYFZSA-N 1 0 363.505 3.732 20 30 FHEDRO CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000328842162 932894527 /nfs/dbraw/zinc/89/45/27/932894527.db2.gz VSQGNFPUIGEFCQ-OAQYLSRUSA-N 1 0 371.525 3.776 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)NCC2(CC#N)CC2)CCCC1)c1ccccc1 ZINC000430681440 932895074 /nfs/dbraw/zinc/89/50/74/932895074.db2.gz VHKPUFVTUPHVPB-KRWDZBQOSA-N 1 0 354.498 3.643 20 30 FHEDRO O=C(NCC[NH+]1CCCCCC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000328859402 933034614 /nfs/dbraw/zinc/03/46/14/933034614.db2.gz VASTVZBBVRGGDL-SFHVURJKSA-N 1 0 359.470 3.634 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000328873199 933072445 /nfs/dbraw/zinc/07/24/45/933072445.db2.gz YTVFUNAWCFYYHC-WBVHZDCISA-N 1 0 360.502 3.636 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000430820081 933260167 /nfs/dbraw/zinc/26/01/67/933260167.db2.gz HRAZJRWFNGPQLQ-VQTJNVASSA-N 1 0 373.566 3.808 20 30 FHEDRO [NH2+]=C(NCC1(Cc2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000261968140 933262253 /nfs/dbraw/zinc/26/22/53/933262253.db2.gz CCZFUZSGDQVNSR-UHFFFAOYSA-N 1 0 369.440 3.737 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cccc(SCC#N)c1 ZINC000430832007 933281576 /nfs/dbraw/zinc/28/15/76/933281576.db2.gz WVYMQRCFDGMACV-IEBWSBKVSA-N 1 0 359.539 3.933 20 30 FHEDRO COc1ccc(CN2CC[NH+](CCC(C)(C)C)CC2)cc1OCCCC#N ZINC000510659772 933375680 /nfs/dbraw/zinc/37/56/80/933375680.db2.gz SFQMQQUXYMZCCR-UHFFFAOYSA-N 1 0 373.541 3.932 20 30 FHEDRO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510719471 933517245 /nfs/dbraw/zinc/51/72/45/933517245.db2.gz KYNKTNBBBWYZKB-YLJYHZDGSA-N 1 0 362.477 3.980 20 30 FHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000091100134 933776822 /nfs/dbraw/zinc/77/68/22/933776822.db2.gz ICPVESUGBKUSAC-UHFFFAOYSA-N 1 0 367.415 3.647 20 30 FHEDRO C[C@@](O)(C[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000563012294 933849085 /nfs/dbraw/zinc/84/90/85/933849085.db2.gz XMBMHPRKDMRXGG-GFCCVEGCSA-N 1 0 359.285 3.779 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000891895106 933921398 /nfs/dbraw/zinc/92/13/98/933921398.db2.gz BRCKUPIUTZWYLM-LJQANCHMSA-N 1 0 368.506 3.598 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000538096764 934026507 /nfs/dbraw/zinc/02/65/07/934026507.db2.gz REOJTHRKBWYUJB-NRFANRHFSA-N 1 0 366.436 3.616 20 30 FHEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092400365 934035314 /nfs/dbraw/zinc/03/53/14/934035314.db2.gz GVPAERALIFKURI-ICSRJNTNSA-N 1 0 371.525 3.886 20 30 FHEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092730699 934150635 /nfs/dbraw/zinc/15/06/35/934150635.db2.gz KRDZDLDBASIDEH-UYAOXDASSA-N 1 0 371.525 3.886 20 30 FHEDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092730703 934150736 /nfs/dbraw/zinc/15/07/36/934150736.db2.gz KRDZDLDBASIDEH-QUCCMNQESA-N 1 0 371.525 3.886 20 30 FHEDRO C=CCc1cc(C[N@H+]2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)cc(OC)c1O ZINC000092730715 934150890 /nfs/dbraw/zinc/15/08/90/934150890.db2.gz UVRINHYGTKSHCU-LPHOPBHVSA-N 1 0 374.525 3.646 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000510979452 934247735 /nfs/dbraw/zinc/24/77/35/934247735.db2.gz OQTVNJWTCSEQKJ-QFBILLFUSA-N 1 0 365.452 3.582 20 30 FHEDRO CN(CC(C)(C)C#N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000458124311 934309664 /nfs/dbraw/zinc/30/96/64/934309664.db2.gz DBBRIMZJXDWBQX-UHFFFAOYSA-N 1 0 356.514 3.754 20 30 FHEDRO COc1ccc(O)c(/C=N/C[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000022769443 934355849 /nfs/dbraw/zinc/35/58/49/934355849.db2.gz UWBZDHNKMKEKGI-VZMFNRANSA-N 1 0 354.450 3.665 20 30 FHEDRO C=CCOc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1OC ZINC000535788938 934380626 /nfs/dbraw/zinc/38/06/26/934380626.db2.gz INZMDBIGMGAFQR-UHFFFAOYSA-N 1 0 366.461 3.524 20 30 FHEDRO Cc1cc(NC(=O)[C@@H](C#N)CCc2ccccc2)ccc1OCC[NH+](C)C ZINC000458222047 934393155 /nfs/dbraw/zinc/39/31/55/934393155.db2.gz VBRNWXSZTLGQNQ-LJQANCHMSA-N 1 0 365.477 3.647 20 30 FHEDRO Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1OCC[NH+](C)C ZINC000458226397 934398612 /nfs/dbraw/zinc/39/86/12/934398612.db2.gz ZCHMONDZZBOIJK-IBGZPJMESA-N 1 0 365.477 3.962 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277095033 934488139 /nfs/dbraw/zinc/48/81/39/934488139.db2.gz OGJXRCIDVZNPRK-CVEARBPZSA-N 1 0 360.527 3.886 20 30 FHEDRO Cn1cc(C[NH+]2CCC(c3ccncc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000277112323 934493742 /nfs/dbraw/zinc/49/37/42/934493742.db2.gz HHNYNLUNUUCXHZ-UHFFFAOYSA-N 1 0 357.461 3.733 20 30 FHEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(-c2ccccc2)c1 ZINC000535820765 934507181 /nfs/dbraw/zinc/50/71/81/934507181.db2.gz PKYAWHCXJNNOMQ-SFHVURJKSA-N 1 0 369.472 3.726 20 30 FHEDRO C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413421430 934597844 /nfs/dbraw/zinc/59/78/44/934597844.db2.gz WZAKMIUAWIYSQK-OQMKEHIESA-N 1 0 353.388 3.648 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000176230982 934644811 /nfs/dbraw/zinc/64/48/11/934644811.db2.gz URRXIAQUONYVDB-FQEVSTJZSA-N 1 0 372.465 3.602 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000610986427 934689774 /nfs/dbraw/zinc/68/97/74/934689774.db2.gz PRYNRMAGYUCYJY-UTKZUKDTSA-N 1 0 374.488 3.510 20 30 FHEDRO COc1cc(C[N@@H+]2CCCOC[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000610990676 934721144 /nfs/dbraw/zinc/72/11/44/934721144.db2.gz HDGUPHFSTZYBHA-QGZVFWFLSA-N 1 0 366.461 3.757 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)ccc1OC ZINC000142999464 934743452 /nfs/dbraw/zinc/74/34/52/934743452.db2.gz KXUGILRQPJIYDG-KRWDZBQOSA-N 1 0 354.450 3.506 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236613911 934748623 /nfs/dbraw/zinc/74/86/23/934748623.db2.gz WWRALQWGXKSWOY-OAHLLOKOSA-N 1 0 358.404 3.716 20 30 FHEDRO C[C@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156661299 934839346 /nfs/dbraw/zinc/83/93/46/934839346.db2.gz NUUMTMKQPXMRGS-NMNUPHIUSA-N 1 0 363.505 3.577 20 30 FHEDRO C[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)C[NH+]1CCCCC1 ZINC000431285167 934874064 /nfs/dbraw/zinc/87/40/64/934874064.db2.gz SSEILKGGIVCSPB-AZUAARDMSA-N 1 0 356.514 3.843 20 30 FHEDRO N#Cc1ccc([C@@H](O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000156710226 934896743 /nfs/dbraw/zinc/89/67/43/934896743.db2.gz GAUXZEOGYMAUMS-AABGKKOBSA-N 1 0 354.450 3.553 20 30 FHEDRO CCSc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000472079014 934960908 /nfs/dbraw/zinc/96/09/08/934960908.db2.gz RITAUKGKXCIQLP-HXUWFJFHSA-N 1 0 365.502 3.955 20 30 FHEDRO CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000509544632 945074659 /nfs/dbraw/zinc/07/46/59/945074659.db2.gz QKNIVZNLEDEPFM-MJGOQNOKSA-N 1 0 363.452 3.588 20 30 FHEDRO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1cccc(C#N)c1 ZINC000472125586 935097145 /nfs/dbraw/zinc/09/71/45/935097145.db2.gz FYUJXFGFAPSPRL-INIZCTEOSA-N 1 0 361.445 3.503 20 30 FHEDRO CCOC(=O)C1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000473072764 945078982 /nfs/dbraw/zinc/07/89/82/945078982.db2.gz RNOBMUMSJMITLQ-UHFFFAOYSA-N 1 0 364.445 3.570 20 30 FHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(C#N)c2)C12CCCCC2 ZINC001167538304 935150203 /nfs/dbraw/zinc/15/02/03/935150203.db2.gz BDVKZHQHSBVTTL-MOPGFXCFSA-N 1 0 355.482 3.556 20 30 FHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000511058049 935170136 /nfs/dbraw/zinc/17/01/36/935170136.db2.gz DBRGRVOAYXCYAE-HXUWFJFHSA-N 1 0 350.453 3.973 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)c1ccccc1 ZINC000072045654 935244229 /nfs/dbraw/zinc/24/42/29/935244229.db2.gz RMOCXSBCCPUMBJ-UHFFFAOYSA-N 1 0 363.505 3.816 20 30 FHEDRO CC[N@H+](C)[C@H](C(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000551347343 935260678 /nfs/dbraw/zinc/26/06/78/935260678.db2.gz TXWXKBGXFNGTDV-FQEVSTJZSA-N 1 0 367.518 3.601 20 30 FHEDRO Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000582188143 935386750 /nfs/dbraw/zinc/38/67/50/935386750.db2.gz MXNKXJWHHQHGBN-GOSISDBHSA-N 1 0 358.445 3.659 20 30 FHEDRO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000375678689 935394688 /nfs/dbraw/zinc/39/46/88/935394688.db2.gz KOAQLPOOVNYBSK-OAHLLOKOSA-N 1 0 366.465 3.638 20 30 FHEDRO CC(C)[C@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000507272120 945097949 /nfs/dbraw/zinc/09/79/49/945097949.db2.gz JXJITDFHDWSUEW-OALUTQOASA-N 1 0 355.869 3.767 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000178563006 935506366 /nfs/dbraw/zinc/50/63/66/935506366.db2.gz ILLSGEVAFCQMCW-GOSISDBHSA-N 1 0 352.438 3.808 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000469528546 945105918 /nfs/dbraw/zinc/10/59/18/945105918.db2.gz FWDZVFAVRBTLPM-UHFFFAOYSA-N 1 0 353.332 3.637 20 30 FHEDRO CCC(CC)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCCC1 ZINC000478201797 935591232 /nfs/dbraw/zinc/59/12/32/935591232.db2.gz VOLKKPQMZPYGGG-HXUWFJFHSA-N 1 0 368.525 3.747 20 30 FHEDRO N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000478261995 935599338 /nfs/dbraw/zinc/59/93/38/935599338.db2.gz UVMGHCMHVQXSCJ-UHFFFAOYSA-N 1 0 363.436 3.963 20 30 FHEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511111898 935621580 /nfs/dbraw/zinc/62/15/80/935621580.db2.gz WOTXREGEWVCCBB-GOEBONIOSA-N 1 0 367.415 3.645 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000237034403 935623384 /nfs/dbraw/zinc/62/33/84/935623384.db2.gz QBYHFRXTTPVJEC-UHFFFAOYSA-N 1 0 370.415 3.732 20 30 FHEDRO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000582423122 935682119 /nfs/dbraw/zinc/68/21/19/935682119.db2.gz IBGCTFSXKOSYDR-UHOFOFEASA-N 1 0 353.388 3.636 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1OCC ZINC000564961687 935702282 /nfs/dbraw/zinc/70/22/82/935702282.db2.gz WCLPDRLAHMIYBH-GXTWGEPZSA-N 1 0 370.287 3.680 20 30 FHEDRO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(C#N)CC1 ZINC000582470585 935756060 /nfs/dbraw/zinc/75/60/60/935756060.db2.gz SPGJJLWJZOXPOO-SNVBAGLBSA-N 1 0 359.779 3.969 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000178584675 935765732 /nfs/dbraw/zinc/76/57/32/935765732.db2.gz PAWNZEJCISEIBC-UHFFFAOYSA-N 1 0 362.477 3.900 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000158392697 935768068 /nfs/dbraw/zinc/76/80/68/935768068.db2.gz IBDHVGIRUIXNHF-UHFFFAOYSA-N 1 0 370.424 3.628 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)nn1 ZINC000657445882 935781307 /nfs/dbraw/zinc/78/13/07/935781307.db2.gz MUVFKENSDVNYLF-CQSZACIVSA-N 1 0 366.296 3.530 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000277659944 935785470 /nfs/dbraw/zinc/78/54/70/935785470.db2.gz NVOQZEWPPTTYAS-NRFANRHFSA-N 1 0 361.445 3.854 20 30 FHEDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(OC[C@@H]2CCCO2)c1 ZINC000329067319 935786580 /nfs/dbraw/zinc/78/65/80/935786580.db2.gz LXBYOMUZMNIDKN-YQVWRLOYSA-N 1 0 373.497 3.506 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2ccccc2)c(OC)c1 ZINC000507312392 945125028 /nfs/dbraw/zinc/12/50/28/945125028.db2.gz AFAFEEMBTDISLE-LJQANCHMSA-N 1 0 355.478 3.688 20 30 FHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000437195163 945126386 /nfs/dbraw/zinc/12/63/86/945126386.db2.gz QKKBWHZQPVPLRF-OAQYLSRUSA-N 1 0 362.477 3.858 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)NCc2ccc(C#N)s2)[NH+]2CCCC2)cc1 ZINC000582599340 935861473 /nfs/dbraw/zinc/86/14/73/935861473.db2.gz PRFKLLLEGQOZCR-IBGZPJMESA-N 1 0 368.506 3.565 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000582601392 935863085 /nfs/dbraw/zinc/86/30/85/935863085.db2.gz IYEAMCOURCYFDH-XJUOHMSHSA-N 1 0 364.489 3.666 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000023994803 935877974 /nfs/dbraw/zinc/87/79/74/935877974.db2.gz QJTNXKZMMHJXIO-OLZOCXBDSA-N 1 0 372.266 3.999 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000152976284 935889723 /nfs/dbraw/zinc/88/97/23/935889723.db2.gz QOQFAZRKENGHJC-SFHVURJKSA-N 1 0 368.525 3.690 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000560454165 935941168 /nfs/dbraw/zinc/94/11/68/935941168.db2.gz YUDRBVUEOBCYTF-UHFFFAOYSA-N 1 0 353.491 3.686 20 30 FHEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000582714396 935978107 /nfs/dbraw/zinc/97/81/07/935978107.db2.gz KKSCTTIAUIUDOR-RDTXWAMCSA-N 1 0 366.490 3.829 20 30 FHEDRO CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000582733700 936026913 /nfs/dbraw/zinc/02/69/13/936026913.db2.gz AFGMUIMILGOAJA-PGRDOPGGSA-N 1 0 361.489 3.990 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000518171410 945140839 /nfs/dbraw/zinc/14/08/39/945140839.db2.gz YVLKOZBUQXLPPM-QGZVFWFLSA-N 1 0 353.422 3.700 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)ccc1OC ZINC000657598021 936081120 /nfs/dbraw/zinc/08/11/20/936081120.db2.gz HDOFEWQQPXCLBR-MOPGFXCFSA-N 1 0 372.509 3.673 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@H](OCC)C2)cc1OC ZINC000657610869 936091229 /nfs/dbraw/zinc/09/12/29/936091229.db2.gz RLCKSJHHBCLHBR-HDJSIYSDSA-N 1 0 370.287 3.680 20 30 FHEDRO CC[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000472261031 936133185 /nfs/dbraw/zinc/13/31/85/936133185.db2.gz PXHNXIVPXAFMKM-UNMCSNQZSA-N 1 0 361.489 3.690 20 30 FHEDRO C=CCc1cc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)cc(OC)c1O ZINC000657654573 936165512 /nfs/dbraw/zinc/16/55/12/936165512.db2.gz LHSWLDXOHYTKLM-PMACEKPBSA-N 1 0 353.462 3.792 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1Cl ZINC000657654155 936166858 /nfs/dbraw/zinc/16/68/58/936166858.db2.gz UZSWOGJMFUSHCS-UHFFFAOYSA-N 1 0 371.930 3.742 20 30 FHEDRO C=CCCOCCNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000536037472 938264430 /nfs/dbraw/zinc/26/44/30/938264430.db2.gz XSAMFMDUHGETBQ-RTBURBONSA-N 1 0 373.541 3.556 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000329199534 938285287 /nfs/dbraw/zinc/28/52/87/938285287.db2.gz XANBXALYNCOWDN-MJGOQNOKSA-N 1 0 371.481 3.775 20 30 FHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000458567608 938285991 /nfs/dbraw/zinc/28/59/91/938285991.db2.gz JKPBTFSFZAADEY-LJQANCHMSA-N 1 0 370.522 3.866 20 30 FHEDRO N#Cc1ccc(-c2ccccc2)nc1SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583519604 938287808 /nfs/dbraw/zinc/28/78/08/938287808.db2.gz LBSWJCHABZJQPQ-HDICACEKSA-N 1 0 351.475 3.576 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](Cc2ccccc2)C(C)C)CC1 ZINC000468333609 938302338 /nfs/dbraw/zinc/30/23/38/938302338.db2.gz HTWZRWPNKJBGGB-FQEVSTJZSA-N 1 0 357.542 3.841 20 30 FHEDRO N#Cc1c(Cl)nsc1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000052467273 938322287 /nfs/dbraw/zinc/32/22/87/938322287.db2.gz GVDQLFULPQMBDW-UHFFFAOYSA-N 1 0 350.850 3.884 20 30 FHEDRO O=C(N[C@H]1CCCCNC1=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000329353367 938365312 /nfs/dbraw/zinc/36/53/12/938365312.db2.gz GBMZRPLAGDIMQU-LQWHRVPQSA-N 1 0 355.482 3.754 20 30 FHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458656853 938383653 /nfs/dbraw/zinc/38/36/53/938383653.db2.gz NAPLOJLUIBIRIH-QUCCMNQESA-N 1 0 356.514 3.985 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246742957 938396881 /nfs/dbraw/zinc/39/68/81/938396881.db2.gz OGYXGVFQSNLESJ-BZUAXINKSA-N 1 0 360.527 3.885 20 30 FHEDRO O=C(NCc1cccc(-n2ccnc2)c1)N1CCC(OC2CCCC2)CC1 ZINC000329439748 938412266 /nfs/dbraw/zinc/41/22/66/938412266.db2.gz JUTSHPCVUPMABO-UHFFFAOYSA-N 1 0 368.481 3.710 20 30 FHEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000518188111 945175595 /nfs/dbraw/zinc/17/55/95/945175595.db2.gz YPTDGUNYKXYSRN-UHFFFAOYSA-N 1 0 373.382 3.731 20 30 FHEDRO CC[N@H+](CCNC(=O)c1cc(C(F)(F)F)ccc1F)CCC(F)(F)F ZINC000427207378 945176174 /nfs/dbraw/zinc/17/61/74/945176174.db2.gz VMBBVKUKQPBNDK-UHFFFAOYSA-N 1 0 374.300 3.849 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000329533458 938466753 /nfs/dbraw/zinc/46/67/53/938466753.db2.gz YBINOBVIFGTXIL-MOPGFXCFSA-N 1 0 360.546 3.756 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C12CCCC2 ZINC000329569878 938489126 /nfs/dbraw/zinc/48/91/26/938489126.db2.gz IMEMEOAEFWNXRI-GDIGMMSISA-N 1 0 374.481 3.762 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C12CCCC2 ZINC000329569880 938489189 /nfs/dbraw/zinc/48/91/89/938489189.db2.gz IMEMEOAEFWNXRI-NIKGAXFTSA-N 1 0 374.481 3.762 20 30 FHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329573664 938491631 /nfs/dbraw/zinc/49/16/31/938491631.db2.gz NJTWDOGYMPJFPW-LSDHHAIUSA-N 1 0 372.538 3.645 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000573013740 938494053 /nfs/dbraw/zinc/49/40/53/938494053.db2.gz ZEIWTJKXYZWHMP-GOSISDBHSA-N 1 0 351.416 3.942 20 30 FHEDRO Cc1cc(C)nc(NC(=O)[C@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000329595381 938509741 /nfs/dbraw/zinc/50/97/41/938509741.db2.gz BUIPNSARQXNMLO-NQIIRXRSSA-N 1 0 350.466 3.984 20 30 FHEDRO CSc1ccc([C@@H](CNC(=O)NCC(C)(C)CCC#N)[NH+](C)C)cc1 ZINC000458755276 938527284 /nfs/dbraw/zinc/52/72/84/938527284.db2.gz CKHKGDAQYSBCDX-QGZVFWFLSA-N 1 0 362.543 3.640 20 30 FHEDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278559075 938532389 /nfs/dbraw/zinc/53/23/89/938532389.db2.gz CGHPSPXHJMAWMS-WOJBJXKFSA-N 1 0 367.497 3.542 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000151472788 938552051 /nfs/dbraw/zinc/55/20/51/938552051.db2.gz UVXIWFVTIWJDFK-UXHICEINSA-N 1 0 350.466 3.634 20 30 FHEDRO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)[NH+](C)C)cc1 ZINC000458779085 938562862 /nfs/dbraw/zinc/56/28/62/938562862.db2.gz ZXQGVSMORCCOKS-JBACZVJFSA-N 1 0 370.541 3.869 20 30 FHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458793828 938593497 /nfs/dbraw/zinc/59/34/97/938593497.db2.gz AAAKSKAYBKYRCN-QUCCMNQESA-N 1 0 356.514 3.795 20 30 FHEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c2)cc1 ZINC000329697499 938626550 /nfs/dbraw/zinc/62/65/50/938626550.db2.gz YKGHRTAUCILESU-NRFANRHFSA-N 1 0 360.461 3.612 20 30 FHEDRO N#CCCn1cc(C[NH2+]CCc2ccc(Cl)cc2)c(-c2ccncc2)n1 ZINC000278710998 938675264 /nfs/dbraw/zinc/67/52/64/938675264.db2.gz RVPVDPZDTSITGX-UHFFFAOYSA-N 1 0 365.868 3.844 20 30 FHEDRO N#CCCn1cc(C[NH2+]CCc2ccccc2Cl)c(-c2ccncc2)n1 ZINC000278717682 938682335 /nfs/dbraw/zinc/68/23/35/938682335.db2.gz SOTGIYKIKPSSGK-UHFFFAOYSA-N 1 0 365.868 3.844 20 30 FHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CC(C)(C)C#N ZINC000278731873 938698457 /nfs/dbraw/zinc/69/84/57/938698457.db2.gz KXLKBDXUTNOJEJ-GOSISDBHSA-N 1 0 365.481 3.517 20 30 FHEDRO CS[C@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278752802 938799378 /nfs/dbraw/zinc/79/93/78/938799378.db2.gz WMZZVSUQPPXDQF-ROUUACIJSA-N 1 0 355.511 3.623 20 30 FHEDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000278768121 938847262 /nfs/dbraw/zinc/84/72/62/938847262.db2.gz OZPDIOITRXTXKV-HXUWFJFHSA-N 1 0 353.441 3.775 20 30 FHEDRO CC[N@H+](CCC1CCN(C(=O)C2(C#N)CCSCC2)CC1)CC(C)C ZINC000935231582 938858708 /nfs/dbraw/zinc/85/87/08/938858708.db2.gz QAFROUNDNCFPIU-UHFFFAOYSA-N 1 0 365.587 3.630 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(OCC3CC3)nc2)cc1 ZINC000159965375 938904078 /nfs/dbraw/zinc/90/40/78/938904078.db2.gz MJUBWBOYPUVCPK-UHFFFAOYSA-N 1 0 350.466 3.510 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1 ZINC000657865726 938905267 /nfs/dbraw/zinc/90/52/67/938905267.db2.gz VSEZXMUBPLGGAS-PZJWPPBQSA-N 1 0 355.526 3.580 20 30 FHEDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000611873117 938922670 /nfs/dbraw/zinc/92/26/70/938922670.db2.gz DFCNURMJUZGVBM-LJQANCHMSA-N 1 0 374.444 3.581 20 30 FHEDRO C=C(C)COCCNCc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000134505526 938936791 /nfs/dbraw/zinc/93/67/91/938936791.db2.gz KGOBHVZIGHMWNC-UHFFFAOYSA-N 1 0 359.495 3.818 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](CCCC#N)c2ccccc2)[C@H](C)C1 ZINC000458799555 938938794 /nfs/dbraw/zinc/93/87/94/938938794.db2.gz JQGFSMKNUJAKPW-HOJAQTOUSA-N 1 0 356.514 3.793 20 30 FHEDRO CCC[NH+]1CCC(N(C)C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458803833 938964163 /nfs/dbraw/zinc/96/41/63/938964163.db2.gz ROZHURFXTBUFGB-HXUWFJFHSA-N 1 0 356.514 3.937 20 30 FHEDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2NCCc2ccc(C#N)cc2)n1C ZINC001167677342 938970492 /nfs/dbraw/zinc/97/04/92/938970492.db2.gz XSNDEBUTAQPKDU-UHFFFAOYSA-N 1 0 362.433 3.585 20 30 FHEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000472336197 938994109 /nfs/dbraw/zinc/99/41/09/938994109.db2.gz DNWZTOKTDSUPEX-NQSCKRDGSA-N 1 0 359.473 3.617 20 30 FHEDRO C=CCn1c(-c2sccc2C)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000685534484 938997451 /nfs/dbraw/zinc/99/74/51/938997451.db2.gz ZQROGCIFOOAYHZ-KRWDZBQOSA-N 1 0 371.554 3.956 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@](C)(CO)C(C)C)cc1OC ZINC000685629835 939006354 /nfs/dbraw/zinc/00/63/54/939006354.db2.gz DAMHJMNWUUBZDS-KRWDZBQOSA-N 1 0 372.303 3.519 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643901921 939009920 /nfs/dbraw/zinc/00/99/20/939009920.db2.gz DJEMRZLHLQJVKB-OWLYRPNTSA-N 1 0 366.299 3.850 20 30 FHEDRO C[NH+](C)CCN(C(=O)CSCc1ccc(C#N)cc1)C1CCCCC1 ZINC000065746492 939021605 /nfs/dbraw/zinc/02/16/05/939021605.db2.gz PAFVKKPQFZUYQM-UHFFFAOYSA-N 1 0 359.539 3.514 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612037651 939023352 /nfs/dbraw/zinc/02/33/52/939023352.db2.gz YUVCUVDNQNBLFH-CEMLEFRQSA-N 1 0 374.488 3.980 20 30 FHEDRO CC(C)c1nccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000375786915 939067262 /nfs/dbraw/zinc/06/72/62/939067262.db2.gz DLCVBLQUMFTISS-IBGZPJMESA-N 1 0 365.481 3.544 20 30 FHEDRO N#CC1(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000612132363 939123621 /nfs/dbraw/zinc/12/36/21/939123621.db2.gz KZTGVXKYBAQUPB-NJDAHSKKSA-N 1 0 365.521 3.877 20 30 FHEDRO Cc1cc2ncc([C@H](C)[NH2+]CCSCc3ccccc3C#N)c(C)n2n1 ZINC000179410986 939147588 /nfs/dbraw/zinc/14/75/88/939147588.db2.gz OYKCQVLDCMUQNK-HNNXBMFYSA-N 1 0 365.506 3.802 20 30 FHEDRO C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507429553 945231549 /nfs/dbraw/zinc/23/15/49/945231549.db2.gz PASBSDNSYMUMNY-HRAATJIYSA-N 1 0 365.452 3.804 20 30 FHEDRO CCCCc1nc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000255754260 939164934 /nfs/dbraw/zinc/16/49/34/939164934.db2.gz DWLCJBRTZYRNFP-UHFFFAOYSA-N 1 0 359.495 3.873 20 30 FHEDRO CC[N@H+](Cc1cc(OC)c2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000179463389 939169715 /nfs/dbraw/zinc/16/97/15/939169715.db2.gz YNXOEVGMINCVOF-OAHLLOKOSA-N 1 0 352.434 3.921 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccccc1C#N ZINC000255766394 939177531 /nfs/dbraw/zinc/17/75/31/939177531.db2.gz FDTVGNOMVCRNJS-SQZREULQSA-N 1 0 373.500 3.942 20 30 FHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1cccc(C#N)c1 ZINC000074918584 939192343 /nfs/dbraw/zinc/19/23/43/939192343.db2.gz IKTJWQVSWCLWLE-INIZCTEOSA-N 1 0 368.456 3.532 20 30 FHEDRO CCCc1c(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)cnn1-c1cccc(C#N)c1 ZINC000440091865 945234948 /nfs/dbraw/zinc/23/49/48/945234948.db2.gz YBZAFNBNIZPHLO-HNNXBMFYSA-N 1 0 367.497 3.802 20 30 FHEDRO COc1ccc(Oc2ccc(C[NH2+]C3CCN(CC#N)CC3)cc2)cc1 ZINC000612181120 939208944 /nfs/dbraw/zinc/20/89/44/939208944.db2.gz PGVFQNJSZLZDGV-UHFFFAOYSA-N 1 0 351.450 3.565 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000516782022 945236483 /nfs/dbraw/zinc/23/64/83/945236483.db2.gz FCNVIACUEKCPFJ-UHFFFAOYSA-N 1 0 351.450 3.702 20 30 FHEDRO C=CC[C@@H](C(=O)N1CCC(OCC[NH+](CC)CC)CC1)c1ccccc1 ZINC000427262818 945236540 /nfs/dbraw/zinc/23/65/40/945236540.db2.gz MURVIVUMZFIYRP-OAQYLSRUSA-N 1 0 358.526 3.696 20 30 FHEDRO C=CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000506446959 945254040 /nfs/dbraw/zinc/25/40/40/945254040.db2.gz LRBMTKVYSHIQSG-SFHVURJKSA-N 1 0 354.450 3.720 20 30 FHEDRO N#Cc1cccc(F)c1CC(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC000507468270 945255100 /nfs/dbraw/zinc/25/51/00/945255100.db2.gz YZVGFILUGQEPIW-UHFFFAOYSA-N 1 0 372.469 3.711 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(F)c1 ZINC000507475330 945259558 /nfs/dbraw/zinc/25/95/58/945259558.db2.gz GRSVFSGUAJOLIU-JLTOFOAXSA-N 1 0 367.424 3.552 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000506450028 945262857 /nfs/dbraw/zinc/26/28/57/945262857.db2.gz YGOHNTCUECVXNO-LJQANCHMSA-N 1 0 354.450 3.720 20 30 FHEDRO Clc1ccccc1C#CCN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506037656 945265026 /nfs/dbraw/zinc/26/50/26/945265026.db2.gz UUSQMQDKPODCOL-UHFFFAOYSA-N 1 0 360.929 3.516 20 30 FHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000179586322 939892616 /nfs/dbraw/zinc/89/26/16/939892616.db2.gz DYJQPYYYZCXPKL-CYBMUJFWSA-N 1 0 359.376 3.839 20 30 FHEDRO N#Cc1ccccc1Cn1cccc1C[NH2+][C@@H]1C[C@@H](CO)c2ccccc21 ZINC000364554572 939962343 /nfs/dbraw/zinc/96/23/43/939962343.db2.gz YMPNNLHOZWDVND-WMZHIEFXSA-N 1 0 357.457 3.719 20 30 FHEDRO CC(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000375843603 939965886 /nfs/dbraw/zinc/96/58/86/939965886.db2.gz YMASFVMFMGBEGK-JOCHJYFZSA-N 1 0 374.488 3.615 20 30 FHEDRO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000364602596 939970357 /nfs/dbraw/zinc/97/03/57/939970357.db2.gz RREOGWXKVJZNSC-NNZMDNLPSA-N 1 0 371.481 3.587 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612296452 939976476 /nfs/dbraw/zinc/97/64/76/939976476.db2.gz GQRPZMWQLHUYDF-FQEVSTJZSA-N 1 0 358.486 3.565 20 30 FHEDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000364681517 939982073 /nfs/dbraw/zinc/98/20/73/939982073.db2.gz IMTDFNPTVHMIQK-AWEZNQCLSA-N 1 0 361.405 3.718 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000612302693 939982847 /nfs/dbraw/zinc/98/28/47/939982847.db2.gz QQLIZAWAHKFXJH-NRFANRHFSA-N 1 0 354.498 3.873 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000612315299 939992456 /nfs/dbraw/zinc/99/24/56/939992456.db2.gz LDRXOUOWWFXAKI-OAQYLSRUSA-N 1 0 370.497 3.709 20 30 FHEDRO N#Cc1ccc(CCC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000375894933 940028326 /nfs/dbraw/zinc/02/83/26/940028326.db2.gz HWESQKLZFZRHTN-DEOSSOPVSA-N 1 0 373.500 3.615 20 30 FHEDRO N#C[C@]1(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)CCc2ccccc2C1 ZINC000413707721 940032890 /nfs/dbraw/zinc/03/28/90/940032890.db2.gz COJQPYOVQPQAKQ-DEOSSOPVSA-N 1 0 373.500 3.854 20 30 FHEDRO C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@](C)(C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000612379492 940033737 /nfs/dbraw/zinc/03/37/37/940033737.db2.gz RAIWQPBLSTVFOK-SYYKKAFVSA-N 1 0 368.525 3.622 20 30 FHEDRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414903343 945292369 /nfs/dbraw/zinc/29/23/69/945292369.db2.gz LKDXYRHHXHTXBH-GDZNZVCISA-N 1 0 356.857 3.853 20 30 FHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1 ZINC000548928296 940053416 /nfs/dbraw/zinc/05/34/16/940053416.db2.gz VNZZKBWMZQDRNS-KOUNCHBCSA-N 1 0 359.473 3.585 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)/C=C\c1ccccc1C#N ZINC000255865411 940057400 /nfs/dbraw/zinc/05/74/00/940057400.db2.gz ZFKSTWSVUVCBKN-HSNDNRACSA-N 1 0 359.473 3.694 20 30 FHEDRO CSc1ccc(C)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930692 940078748 /nfs/dbraw/zinc/07/87/48/940078748.db2.gz ODXZRYKXIVZYGZ-UHFFFAOYSA-N 1 0 367.518 3.793 20 30 FHEDRO Cn1cc(C[N@H+](C)CCCOc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179941512 940147265 /nfs/dbraw/zinc/14/72/65/940147265.db2.gz FAQIUAYYXDSTIJ-UHFFFAOYSA-N 1 0 360.461 3.860 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2OCCOC)cc1 ZINC000167631632 940156042 /nfs/dbraw/zinc/15/60/42/940156042.db2.gz HDFNSZIJDVNCIJ-SFHVURJKSA-N 1 0 353.462 3.883 20 30 FHEDRO N#Cc1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)ccc1Cl ZINC000612580079 940160414 /nfs/dbraw/zinc/16/04/14/940160414.db2.gz GPENCGACINFSCU-UHFFFAOYSA-N 1 0 359.901 3.940 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000413833537 940166553 /nfs/dbraw/zinc/16/65/53/940166553.db2.gz KPKCMZNXFDHFEG-HXUWFJFHSA-N 1 0 355.526 3.834 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000413834191 940166846 /nfs/dbraw/zinc/16/68/46/940166846.db2.gz LLOUDCPOLFQUMO-NHCUHLMSSA-N 1 0 355.526 3.547 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000376003166 940171229 /nfs/dbraw/zinc/17/12/29/940171229.db2.gz JESBDZYTYDYTTR-KBXCAEBGSA-N 1 0 357.841 3.536 20 30 FHEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000179967108 940175196 /nfs/dbraw/zinc/17/51/96/940175196.db2.gz BJBNRUDHUGYCOC-LIRRHRJNSA-N 1 0 367.424 3.552 20 30 FHEDRO CC(C)(CNC(=O)c1ccc(Cl)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000540884524 940177332 /nfs/dbraw/zinc/17/73/32/940177332.db2.gz QMDMOZZCYNTXRX-UHFFFAOYSA-N 1 0 367.880 3.778 20 30 FHEDRO Cn1cc(C[N@@H+]2CCCN(c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179970921 940181113 /nfs/dbraw/zinc/18/11/13/940181113.db2.gz WVGQQNGMZPZWDP-UHFFFAOYSA-N 1 0 371.488 3.671 20 30 FHEDRO C[S@](=O)c1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000179983808 940197384 /nfs/dbraw/zinc/19/73/84/940197384.db2.gz GPVXVQJMPMWOHL-SANMLTNESA-N 1 0 371.481 3.511 20 30 FHEDRO C[NH+](C)CC1(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)CCCC1 ZINC000612773004 940268073 /nfs/dbraw/zinc/26/80/73/940268073.db2.gz QKHVCMJDXIAVFR-UHFFFAOYSA-N 1 0 354.281 3.717 20 30 FHEDRO C[C@H]1C[C@@H](Nc2c(C#N)cnc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000584502661 940303000 /nfs/dbraw/zinc/30/30/00/940303000.db2.gz POKKUGBOAPZKFB-WCQYABFASA-N 1 0 371.282 3.906 20 30 FHEDRO Cn1cc(C[NH2+]Cc2ccccc2OC(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000180038928 940305571 /nfs/dbraw/zinc/30/55/71/940305571.db2.gz RBQBOBRRZLJMPZ-UHFFFAOYSA-N 1 0 368.387 3.850 20 30 FHEDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180071656 940383039 /nfs/dbraw/zinc/38/30/39/940383039.db2.gz INZBWSQUEDKBAH-OXQOHEQNSA-N 1 0 352.482 3.644 20 30 FHEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000613008057 940390198 /nfs/dbraw/zinc/39/01/98/940390198.db2.gz XUUGFRNVBOGGRP-UHFFFAOYSA-N 1 0 365.502 3.707 20 30 FHEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000376168958 940410065 /nfs/dbraw/zinc/41/00/65/940410065.db2.gz YRZGPLQIAHGEJP-MPJJRAAHSA-N 1 0 364.493 3.819 20 30 FHEDRO COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000376178047 940429578 /nfs/dbraw/zinc/42/95/78/940429578.db2.gz NIBODZUSEBQUQB-MHTWAQMVSA-N 1 0 372.509 3.740 20 30 FHEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000548986934 940437398 /nfs/dbraw/zinc/43/73/98/940437398.db2.gz UTAWWTLATSFKAS-KBXCAEBGSA-N 1 0 354.885 3.989 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000581101469 940493566 /nfs/dbraw/zinc/49/35/66/940493566.db2.gz IDXDZVXWSSMGIX-KXBFYZLASA-N 1 0 366.440 3.872 20 30 FHEDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000414096239 940498690 /nfs/dbraw/zinc/49/86/90/940498690.db2.gz ICHVEPSJJBWZCW-WMLDXEAASA-N 1 0 374.282 3.634 20 30 FHEDRO COc1cc(C#N)ccc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613301031 940508666 /nfs/dbraw/zinc/50/86/66/940508666.db2.gz MLZLDHQQLBVCBX-UHFFFAOYSA-N 1 0 370.497 3.687 20 30 FHEDRO C=CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)NCCCC)CC[C@H]2C)cc1OC ZINC000511481803 940603422 /nfs/dbraw/zinc/60/34/22/940603422.db2.gz ZKVRHAQJFMBAMS-MJGOQNOKSA-N 1 0 374.525 3.777 20 30 FHEDRO CN(CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cc[nH+]cc1 ZINC000581979773 940637009 /nfs/dbraw/zinc/63/70/09/940637009.db2.gz SPPGEKKVMFFODF-UHFFFAOYSA-N 1 0 373.416 3.606 20 30 FHEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1=O ZINC000511861212 945339209 /nfs/dbraw/zinc/33/92/09/945339209.db2.gz SCKNLFUGTYUNRN-ZACQAIPSSA-N 1 0 352.400 3.718 20 30 FHEDRO C=C(C)[C@H]([NH2+]CCC(=O)Nc1cc(N)ccc1F)c1ccc(F)c(F)c1 ZINC000187789940 940679242 /nfs/dbraw/zinc/67/92/42/940679242.db2.gz OZGSNIZZTPAUDQ-IBGZPJMESA-N 1 0 363.383 3.922 20 30 FHEDRO COc1ccccc1C[C@H](C)[N@H+](C)CCOc1ccc(C#N)cc1OC ZINC000174032762 940693028 /nfs/dbraw/zinc/69/30/28/940693028.db2.gz SMGBZUWPQHGYJD-INIZCTEOSA-N 1 0 354.450 3.517 20 30 FHEDRO C[C@H](C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)CS(C)(=O)=O ZINC000376284578 940703022 /nfs/dbraw/zinc/70/30/22/940703022.db2.gz ZNIDCQDAHCGFQZ-HZPDHXFCSA-N 1 0 356.491 3.557 20 30 FHEDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(-c2ccc(C#N)cc2)n1 ZINC000180155942 940718920 /nfs/dbraw/zinc/71/89/20/940718920.db2.gz JYNQZRAEMYLKOF-UHFFFAOYSA-N 1 0 371.488 3.631 20 30 FHEDRO C[N@@H+]1CC[C@H](NCc2ccc(Br)cc2C#N)[C@H]1c1ccccc1 ZINC000582575248 940732152 /nfs/dbraw/zinc/73/21/52/940732152.db2.gz QFVQAEHSKIVYLG-RBUKOAKNSA-N 1 0 370.294 3.856 20 30 FHEDRO CC(C)(C)CC[NH+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000440255397 945346361 /nfs/dbraw/zinc/34/63/61/945346361.db2.gz MOJWMEXPPHWDIC-LJQANCHMSA-N 1 0 356.514 3.795 20 30 FHEDRO C=CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174933512 940793653 /nfs/dbraw/zinc/79/36/53/940793653.db2.gz RJXWIQCOEPBYCA-FQEVSTJZSA-N 1 0 364.489 3.846 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cc2c(cc1Br)OCCO2 ZINC000248869514 940810599 /nfs/dbraw/zinc/81/05/99/940810599.db2.gz QKQOVPABHUKOOF-YNEHKIRRSA-N 1 0 365.271 3.953 20 30 FHEDRO CS(=O)(=O)c1ccccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000414236067 940812905 /nfs/dbraw/zinc/81/29/05/940812905.db2.gz KHXRWGUQKFQMFM-UHFFFAOYSA-N 1 0 368.502 3.584 20 30 FHEDRO Cc1cc(F)c(C#N)c(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1 ZINC000892582180 940837738 /nfs/dbraw/zinc/83/77/38/940837738.db2.gz FDXLQSGVRSEXRK-UHFFFAOYSA-N 1 0 357.458 3.550 20 30 FHEDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000180251001 940876054 /nfs/dbraw/zinc/87/60/54/940876054.db2.gz ADIWRPRZCYBMHN-GHTZIAJQSA-N 1 0 352.482 3.594 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000170949094 940927860 /nfs/dbraw/zinc/92/78/60/940927860.db2.gz YSRMWXPUIZSCLX-CYBMUJFWSA-N 1 0 355.309 3.939 20 30 FHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000376408603 940935376 /nfs/dbraw/zinc/93/53/76/940935376.db2.gz PSWQJMRPWURUEO-ROUUACIJSA-N 1 0 364.493 3.644 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C/C=C/c1ccccc1F ZINC000175912146 940946846 /nfs/dbraw/zinc/94/68/46/940946846.db2.gz CMONRXUZYRFQAK-UXBLZVDNSA-N 1 0 365.452 3.691 20 30 FHEDRO CNC(=O)c1cccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507600849 945362541 /nfs/dbraw/zinc/36/25/41/945362541.db2.gz FAUJDZDFPIHGMU-UHFFFAOYSA-N 1 0 361.489 3.582 20 30 FHEDRO CCCc1c(NC(=O)[C@H](CCC)[NH2+]C(C)C)cnn1-c1cccc(C#N)c1 ZINC000507602046 945363796 /nfs/dbraw/zinc/36/37/96/945363796.db2.gz ODMZUUPCUCWUHY-SFHVURJKSA-N 1 0 367.497 3.802 20 30 FHEDRO Cc1ccccc1O[C@H](C)CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330123322 945365110 /nfs/dbraw/zinc/36/51/10/945365110.db2.gz KTGYMFDOEOIANR-QGZVFWFLSA-N 1 0 359.514 3.673 20 30 FHEDRO C[C@@H](NC(=O)CN1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccc(Cl)cc1 ZINC000330123105 945365906 /nfs/dbraw/zinc/36/59/06/945365906.db2.gz KPSQUENGFWMNDB-SPYBWZPUSA-N 1 0 366.889 3.627 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000330126337 945366346 /nfs/dbraw/zinc/36/63/46/945366346.db2.gz IQDHEHZLPNRRSS-VQIMIIECSA-N 1 0 373.545 3.678 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659032898 941034499 /nfs/dbraw/zinc/03/44/99/941034499.db2.gz SPGGKBFMSUHVQF-GOSISDBHSA-N 1 0 357.479 3.629 20 30 FHEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)cc1 ZINC000180546796 941046370 /nfs/dbraw/zinc/04/63/70/941046370.db2.gz NSZHWOOCDJPVKQ-GOSISDBHSA-N 1 0 371.278 3.999 20 30 FHEDRO CC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)cc1Cl ZINC000180879900 941087895 /nfs/dbraw/zinc/08/78/95/941087895.db2.gz QACZYQCSEDVHJG-HYEKCJMVSA-N 1 0 368.264 3.561 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCc2ccc(OC)cc21)C(C)C ZINC000431830617 941093677 /nfs/dbraw/zinc/09/36/77/941093677.db2.gz KOGOXOYYMVROLG-FPOVZHCZSA-N 1 0 356.510 3.540 20 30 FHEDRO CN(Cc1ccc(C#N)cc1Br)[C@@H]1CCCc2c1cnn2C ZINC000181186619 941112419 /nfs/dbraw/zinc/11/24/19/941112419.db2.gz IYJGWWRVLXBBPT-MRXNPFEDSA-N 1 0 359.271 3.564 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000177393207 941120821 /nfs/dbraw/zinc/12/08/21/941120821.db2.gz IJODSBFRKRCVQE-QGZVFWFLSA-N 1 0 367.474 3.686 20 30 FHEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000189476523 941158696 /nfs/dbraw/zinc/15/86/96/941158696.db2.gz FUAZRNQGROFOBA-MRXNPFEDSA-N 1 0 364.449 3.766 20 30 FHEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000189510437 941159310 /nfs/dbraw/zinc/15/93/10/941159310.db2.gz VUBLXHQRVPNMJK-ZBFHGGJFSA-N 1 0 351.903 3.804 20 30 FHEDRO C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1nc(Br)ccc1F ZINC000926812617 941235822 /nfs/dbraw/zinc/23/58/22/941235822.db2.gz NLEADGOCQVUCPG-IINYFYTJSA-N 1 0 360.230 3.673 20 30 FHEDRO O=C(Nc1ccc(F)cc1)NC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000178508408 941268183 /nfs/dbraw/zinc/26/81/83/941268183.db2.gz PYVYOTOQDWVEBG-UHFFFAOYSA-N 1 0 369.415 3.602 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000178571223 941279045 /nfs/dbraw/zinc/27/90/45/941279045.db2.gz GAIDJKLXLOTAJM-UHFFFAOYSA-N 1 0 354.498 3.987 20 30 FHEDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000376594620 941281964 /nfs/dbraw/zinc/28/19/64/941281964.db2.gz FWRYKNRTHZSANB-IBGZPJMESA-N 1 0 374.492 3.577 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311477459 941300851 /nfs/dbraw/zinc/30/08/51/941300851.db2.gz GWKXBSKSWNEWQM-KRWDZBQOSA-N 1 0 350.422 3.791 20 30 FHEDRO Clc1cccc(C#CC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000178912502 941321990 /nfs/dbraw/zinc/32/19/90/941321990.db2.gz ZUTHAEMUEBPNEU-KRWDZBQOSA-N 1 0 350.853 3.614 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc(O)c1 ZINC000181492705 941336479 /nfs/dbraw/zinc/33/64/79/941336479.db2.gz MFBVEJKHDCHOGL-ZDUSSCGKSA-N 1 0 369.490 3.884 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)CCC1 ZINC000188073296 941341163 /nfs/dbraw/zinc/34/11/63/941341163.db2.gz AFJCFEJPOHPGMH-LJQANCHMSA-N 1 0 369.509 3.538 20 30 FHEDRO CCN1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549112862 941347505 /nfs/dbraw/zinc/34/75/05/941347505.db2.gz MAHQABHOHMENHB-CTNGQTDRSA-N 1 0 358.407 3.881 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181537056 941367074 /nfs/dbraw/zinc/36/70/74/941367074.db2.gz CCRZEPHXNFQKKF-CABCVRRESA-N 1 0 369.490 3.933 20 30 FHEDRO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(OCC#N)cc1 ZINC000181722609 941370332 /nfs/dbraw/zinc/37/03/32/941370332.db2.gz RIBWAVSDGHHCOA-IRXDYDNUSA-N 1 0 373.497 3.887 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000414526113 941372276 /nfs/dbraw/zinc/37/22/76/941372276.db2.gz KMYSMVLXHKQDTK-OAHLLOKOSA-N 1 0 352.331 3.582 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000414526110 941372318 /nfs/dbraw/zinc/37/23/18/941372318.db2.gz KMYSMVLXHKQDTK-HNNXBMFYSA-N 1 0 352.331 3.582 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC(C)(C)CCC#N)CC1 ZINC000376660576 941375207 /nfs/dbraw/zinc/37/52/07/941375207.db2.gz OYCXHOKXZJUJPS-KRWDZBQOSA-N 1 0 356.514 3.841 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCCC(F)(F)[C@@H]2O)c1 ZINC000414540713 941375911 /nfs/dbraw/zinc/37/59/11/941375911.db2.gz UZPNCRUSNITAIP-VQTJNVASSA-N 1 0 372.415 3.776 20 30 FHEDRO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(C#N)o1)C(C)C ZINC000414540497 941375966 /nfs/dbraw/zinc/37/59/66/941375966.db2.gz BROUPKKIDCHDLM-OAHLLOKOSA-N 1 0 360.479 3.523 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000414548840 941377147 /nfs/dbraw/zinc/37/71/47/941377147.db2.gz KMIZVQHYNXCEFP-MJGOQNOKSA-N 1 0 373.378 3.687 20 30 FHEDRO C[C@@H]1C[C@@H](CNC(=O)NCC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000376952170 941475790 /nfs/dbraw/zinc/47/57/90/941475790.db2.gz ZKPVXSYRBFGGAB-MJGOQNOKSA-N 1 0 356.514 3.526 20 30 FHEDRO C=CCCCCCCNC(=O)N(C)C1CCN(Cc2cc(C)no2)CC1 ZINC000377009036 941490900 /nfs/dbraw/zinc/49/09/00/941490900.db2.gz ZNEAAYXWPCXPLY-UHFFFAOYSA-N 1 0 362.518 3.725 20 30 FHEDRO C=C(CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000377072645 941507568 /nfs/dbraw/zinc/50/75/68/941507568.db2.gz PEQGPZFLGZUGRF-UHFFFAOYSA-N 1 0 364.493 3.653 20 30 FHEDRO Cc1cc(Br)cn2cc(CC[NH2+]Cc3cccc(C#N)c3)nc12 ZINC000545353664 941517271 /nfs/dbraw/zinc/51/72/71/941517271.db2.gz SFKWFOVAFHGSTC-UHFFFAOYSA-N 1 0 369.266 3.609 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]([NH3+])C3)cc2Cl)cc1 ZINC000414960980 941529005 /nfs/dbraw/zinc/52/90/05/941529005.db2.gz HOQYAYBGKAYVJS-CQSZACIVSA-N 1 0 370.840 3.959 20 30 FHEDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000414961628 941529830 /nfs/dbraw/zinc/52/98/30/941529830.db2.gz IWQKNWWXMICIBG-CYBMUJFWSA-N 1 0 372.856 3.981 20 30 FHEDRO N#CCOc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000728687565 941537102 /nfs/dbraw/zinc/53/71/02/941537102.db2.gz JQOULZKMDJPUMJ-SFHVURJKSA-N 1 0 370.497 3.709 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415014374 941546518 /nfs/dbraw/zinc/54/65/18/941546518.db2.gz WXZZDFDJLHFJRG-IBGZPJMESA-N 1 0 364.449 3.990 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415028984 941550809 /nfs/dbraw/zinc/55/08/09/941550809.db2.gz ZQVDUROJLOPLTD-KRWDZBQOSA-N 1 0 352.438 3.559 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC000415031794 941555912 /nfs/dbraw/zinc/55/59/12/941555912.db2.gz FLYSYRVQTKGHHV-SJORKVTESA-N 1 0 364.449 3.990 20 30 FHEDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415032658 941556921 /nfs/dbraw/zinc/55/69/21/941556921.db2.gz GHIGJJAVFSCQBB-UHFFFAOYSA-N 1 0 352.438 3.799 20 30 FHEDRO C[C@](C[NH3+])(NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC1 ZINC000415036909 941563412 /nfs/dbraw/zinc/56/34/12/941563412.db2.gz KONNNRWIPJVEPX-HXUWFJFHSA-N 1 0 350.422 3.599 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[C@@H]1[NH3+] ZINC000415049997 941566586 /nfs/dbraw/zinc/56/65/86/941566586.db2.gz YMLTZSDPRVUPRO-KUHUBIRLSA-N 1 0 350.422 3.552 20 30 FHEDRO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000415058827 941571575 /nfs/dbraw/zinc/57/15/75/941571575.db2.gz IMHOOBWIPQVCRY-KRWDZBQOSA-N 1 0 364.449 3.875 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](CC[NH3+])C3)c2)cc1 ZINC000415143364 941628733 /nfs/dbraw/zinc/62/87/33/941628733.db2.gz AREFUJUJGWAHBK-QGZVFWFLSA-N 1 0 364.449 3.943 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)c2)cc1 ZINC000415148856 941629798 /nfs/dbraw/zinc/62/97/98/941629798.db2.gz MSYQJRZWNZALFQ-NVXWUHKLSA-N 1 0 350.422 3.599 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2)cc1 ZINC000415148768 941630412 /nfs/dbraw/zinc/63/04/12/941630412.db2.gz MEZUFBWUUORAMD-CVEARBPZSA-N 1 0 350.422 3.742 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H](C[NH3+])C3CCCC3)c2)cc1 ZINC000415143732 941631926 /nfs/dbraw/zinc/63/19/26/941631926.db2.gz BNQGACFCYXDMPQ-FQEVSTJZSA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000415151738 941635107 /nfs/dbraw/zinc/63/51/07/941635107.db2.gz AYNWOKVFYKIBSF-CQSZACIVSA-N 1 0 366.490 3.863 20 30 FHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415152111 941635151 /nfs/dbraw/zinc/63/51/51/941635151.db2.gz BILHCGOAZJPRIP-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415153659 941637064 /nfs/dbraw/zinc/63/70/64/941637064.db2.gz XDYWBVJZZKMKHH-IBGZPJMESA-N 1 0 364.449 3.860 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415156408 941638028 /nfs/dbraw/zinc/63/80/28/941638028.db2.gz GIPOIHLVMVJNAX-HOCLYGCPSA-N 1 0 350.422 3.552 20 30 FHEDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415156326 941638452 /nfs/dbraw/zinc/63/84/52/941638452.db2.gz GEKOHBVMWMFJFB-SFHVURJKSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H]1C[NH3+] ZINC000415151662 941639820 /nfs/dbraw/zinc/63/98/20/941639820.db2.gz APQSEELDUHGMNS-QRWLVFNGSA-N 1 0 364.449 3.942 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC[NH2+]CC1 ZINC000415160019 941642629 /nfs/dbraw/zinc/64/26/29/941642629.db2.gz KQOJPKZRZAUGRV-UHFFFAOYSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415160430 941642667 /nfs/dbraw/zinc/64/26/67/941642667.db2.gz LIHXVAQEOXZSQT-WMLDXEAASA-N 1 0 360.527 3.981 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])cc2)c1 ZINC000415161570 941643537 /nfs/dbraw/zinc/64/35/37/941643537.db2.gz MROSRZYQCABCTD-UZLBHIALSA-N 1 0 364.449 3.990 20 30 FHEDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415162438 941644740 /nfs/dbraw/zinc/64/47/40/941644740.db2.gz NZGRPCOUZUJUHJ-LJQANCHMSA-N 1 0 364.449 3.860 20 30 FHEDRO C=CCN1CCC([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000892881049 941645844 /nfs/dbraw/zinc/64/58/44/941645844.db2.gz PAHQECGLZNGXGH-UHFFFAOYSA-N 1 0 351.516 3.835 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(C[NH3+])CC3)cc2)c1 ZINC000415165511 941647216 /nfs/dbraw/zinc/64/72/16/941647216.db2.gz QPVRQBRJCAWGJD-UHFFFAOYSA-N 1 0 350.422 3.553 20 30 FHEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415167601 941648291 /nfs/dbraw/zinc/64/82/91/941648291.db2.gz TZGNFJSYYDINJM-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ncoc3-c3ccccc3)CC2)cc1 ZINC000377357319 941667981 /nfs/dbraw/zinc/66/79/81/941667981.db2.gz HFCBKWDQPYFURA-UHFFFAOYSA-N 1 0 372.472 3.967 20 30 FHEDRO CCCN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000415206837 941673482 /nfs/dbraw/zinc/67/34/82/941673482.db2.gz DJRDEVRFUXPCSB-UHFFFAOYSA-N 1 0 354.376 3.573 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CC[NH2+]CC1 ZINC000415240109 941694938 /nfs/dbraw/zinc/69/49/38/941694938.db2.gz PULWMHYTBQLWNL-UHFFFAOYSA-N 1 0 368.412 3.705 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1F ZINC000415239427 941698614 /nfs/dbraw/zinc/69/86/14/941698614.db2.gz OJCFBPMBYQFXRL-UHFFFAOYSA-N 1 0 368.412 3.753 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C[C@@H](C)O)c2ccccc2)cc1Cl ZINC000122400167 941714313 /nfs/dbraw/zinc/71/43/13/941714313.db2.gz VOISTQACJHPOPB-UKRRQHHQSA-N 1 0 361.873 3.630 20 30 FHEDRO CCN1CCc2nc3ccccc3c(C(=O)NCC(C)(C)CCC#N)c2C1 ZINC000377436676 941722177 /nfs/dbraw/zinc/72/21/77/941722177.db2.gz QWFJSRKVQWOYNA-UHFFFAOYSA-N 1 0 364.493 3.673 20 30 FHEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000549261693 941784836 /nfs/dbraw/zinc/78/48/36/941784836.db2.gz DDQABVKKRKLGAW-UHFFFAOYSA-N 1 0 365.525 3.752 20 30 FHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458839369 941796055 /nfs/dbraw/zinc/79/60/55/941796055.db2.gz MPJCKNZJYCMISX-YZGWKJHDSA-N 1 0 354.498 3.690 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2cc(F)ccc2F)C(F)F)CC1 ZINC000433640879 941817583 /nfs/dbraw/zinc/81/75/83/941817583.db2.gz BWTXQBPETLAUEH-MRXNPFEDSA-N 1 0 373.394 3.611 20 30 FHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000549285454 941839877 /nfs/dbraw/zinc/83/98/77/941839877.db2.gz JFNFTDZWQVBKNA-UHFFFAOYSA-N 1 0 355.486 3.569 20 30 FHEDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 ZINC000415468245 941841964 /nfs/dbraw/zinc/84/19/64/941841964.db2.gz XNCVJWYANXNXTN-NSHDSACASA-N 1 0 370.478 3.514 20 30 FHEDRO CCN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000119021377 941863443 /nfs/dbraw/zinc/86/34/43/941863443.db2.gz CHPKZLMBPGGRAP-GHTZIAJQSA-N 1 0 373.504 3.863 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415536216 941889100 /nfs/dbraw/zinc/88/91/00/941889100.db2.gz NDMHMHMOOQIHRG-LSDHHAIUSA-N 1 0 350.422 3.552 20 30 FHEDRO N#Cc1cc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)ccc1Oc1ccccc1 ZINC000415536104 941889384 /nfs/dbraw/zinc/88/93/84/941889384.db2.gz MPELELXZYNTFPW-ZBFHGGJFSA-N 1 0 350.422 3.599 20 30 FHEDRO Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1-c1ncco1 ZINC000330142407 941900654 /nfs/dbraw/zinc/90/06/54/941900654.db2.gz YGFHWZGXPOISGJ-KRWDZBQOSA-N 1 0 354.454 3.756 20 30 FHEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000415573868 941914176 /nfs/dbraw/zinc/91/41/76/941914176.db2.gz CULUHYDCAHIDPO-UHFFFAOYSA-N 1 0 359.514 3.900 20 30 FHEDRO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000126310382 941952869 /nfs/dbraw/zinc/95/28/69/941952869.db2.gz ARHYJIREDIDWCL-QGZVFWFLSA-N 1 0 367.880 3.506 20 30 FHEDRO CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000513497346 941964350 /nfs/dbraw/zinc/96/43/50/941964350.db2.gz VWFGDCYAYKEMIU-JOCHJYFZSA-N 1 0 360.457 3.973 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000728711438 941965665 /nfs/dbraw/zinc/96/56/65/941965665.db2.gz AEIPXXVAAOUFKX-ACJLOTCBSA-N 1 0 364.367 3.819 20 30 FHEDRO N#C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513587979 942026376 /nfs/dbraw/zinc/02/63/76/942026376.db2.gz FGOLKOSICCZMTA-IERDGZPVSA-N 1 0 365.864 3.618 20 30 FHEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000415741263 942029237 /nfs/dbraw/zinc/02/92/37/942029237.db2.gz YKLKBMOEMQPZRL-LJQANCHMSA-N 1 0 367.453 3.583 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2CCN(c3ccccc3C#N)CC2)cc1 ZINC000377886307 942052383 /nfs/dbraw/zinc/05/23/83/942052383.db2.gz AFRQRFOXVJWPSD-GOSISDBHSA-N 1 0 374.488 3.855 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000415798536 942055151 /nfs/dbraw/zinc/05/51/51/942055151.db2.gz AUYSLRRSRJBWJO-OAHLLOKOSA-N 1 0 352.463 3.664 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)C[NH2+]1 ZINC000415803534 942060379 /nfs/dbraw/zinc/06/03/79/942060379.db2.gz JSTYSYGNIRTCBK-GJZGRUSLSA-N 1 0 366.490 3.924 20 30 FHEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415811850 942063875 /nfs/dbraw/zinc/06/38/75/942063875.db2.gz XYLREKKHRULGPR-GJZGRUSLSA-N 1 0 366.490 3.910 20 30 FHEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)s1 ZINC000279992999 942086923 /nfs/dbraw/zinc/08/69/23/942086923.db2.gz LWKRTORTQGEPLP-UHFFFAOYSA-N 1 0 365.524 3.592 20 30 FHEDRO CC(C)(C#N)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000280136471 942112817 /nfs/dbraw/zinc/11/28/17/942112817.db2.gz DTICQUXMCJUYMB-GOSISDBHSA-N 1 0 351.450 3.648 20 30 FHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C)c1C#N ZINC000501931466 942118779 /nfs/dbraw/zinc/11/87/79/942118779.db2.gz URCATVRGWNHJGU-BFUOFWGJSA-N 1 0 368.456 3.822 20 30 FHEDRO CO[C@]1(C)CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000280350415 942164874 /nfs/dbraw/zinc/16/48/74/942164874.db2.gz SVEQMZSIHQWVSA-OAQYLSRUSA-N 1 0 352.482 3.855 20 30 FHEDRO N#CCCC[C@@H](NC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000415944160 942176479 /nfs/dbraw/zinc/17/64/79/942176479.db2.gz HQPAZDZIRJFULG-LJQANCHMSA-N 1 0 352.438 3.581 20 30 FHEDRO C=C(C)COc1cc(C[NH+]2CCC(c3ccncn3)CC2)ccc1OC ZINC000414471388 942199458 /nfs/dbraw/zinc/19/94/58/942199458.db2.gz OXTPVESGEJGYDZ-UHFFFAOYSA-N 1 0 353.466 3.820 20 30 FHEDRO CCC[NH+]1CCC(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC1 ZINC000502123768 942233811 /nfs/dbraw/zinc/23/38/11/942233811.db2.gz XLXDFQWIUTVOAH-UHFFFAOYSA-N 1 0 370.541 3.848 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000280704707 942236034 /nfs/dbraw/zinc/23/60/34/942236034.db2.gz CRSPMLVISBBOAG-BEFAXECRSA-N 1 0 362.901 3.515 20 30 FHEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000128394724 942239591 /nfs/dbraw/zinc/23/95/91/942239591.db2.gz ISXQDNDKLYXKRN-SFHVURJKSA-N 1 0 362.882 3.726 20 30 FHEDRO COc1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1OC ZINC000513733537 942261295 /nfs/dbraw/zinc/26/12/95/942261295.db2.gz SKUPZRXNHKEASH-UHFFFAOYSA-N 1 0 352.434 3.619 20 30 FHEDRO CC1(C(=O)N2CCc3cc(C#N)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000416019024 942267007 /nfs/dbraw/zinc/26/70/07/942267007.db2.gz XRHJDWXXISWEAM-UHFFFAOYSA-N 1 0 359.473 3.750 20 30 FHEDRO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C(C)C)[nH]c2=O)C[C@H]1C ZINC001104759312 942272149 /nfs/dbraw/zinc/27/21/49/942272149.db2.gz BLJCBHWEZJPDRW-IAGOWNOFSA-N 1 0 359.514 3.565 20 30 FHEDRO C[C@H](C[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501100660 942307520 /nfs/dbraw/zinc/30/75/20/942307520.db2.gz JMQASFFPRSOPGD-OAHLLOKOSA-N 1 0 374.410 3.898 20 30 FHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000180036396 942316814 /nfs/dbraw/zinc/31/68/14/942316814.db2.gz LEHIPDWCZXVBDB-IAGOWNOFSA-N 1 0 366.465 3.619 20 30 FHEDRO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000513707488 942317952 /nfs/dbraw/zinc/31/79/52/942317952.db2.gz DJEXGUZNTOZYTF-UHFFFAOYSA-N 1 0 352.434 3.619 20 30 FHEDRO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419602219 942320804 /nfs/dbraw/zinc/32/08/04/942320804.db2.gz ABBJGAACIGRHAC-FQEVSTJZSA-N 1 0 356.514 3.699 20 30 FHEDRO N#CCOc1cc(F)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000180321880 942352876 /nfs/dbraw/zinc/35/28/76/942352876.db2.gz XDQJCDFXECKYQF-UHFFFAOYSA-N 1 0 364.424 3.676 20 30 FHEDRO CC[N@@H+]1CCc2c(cccc2NC(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000378174357 942355141 /nfs/dbraw/zinc/35/51/41/942355141.db2.gz KAFYTTOASDGQND-DHZHZOJOSA-N 1 0 361.445 3.619 20 30 FHEDRO CN(C(=O)c1cccc(CC#N)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434147589 942408339 /nfs/dbraw/zinc/40/83/39/942408339.db2.gz HVNKOEXPGWYMLB-UHFFFAOYSA-N 1 0 363.461 3.504 20 30 FHEDRO C=CCC1(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000424868081 942414724 /nfs/dbraw/zinc/41/47/24/942414724.db2.gz SBQUOVYTHKVTID-UHFFFAOYSA-N 1 0 350.547 3.718 20 30 FHEDRO C=CCC1(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CCOCC1 ZINC000424861356 942432103 /nfs/dbraw/zinc/43/21/03/942432103.db2.gz GHMMJKOQLMNKBW-UHFFFAOYSA-N 1 0 356.510 3.530 20 30 FHEDRO N#Cc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000366856346 942459359 /nfs/dbraw/zinc/45/93/59/942459359.db2.gz HUVLORLJCJIDRF-UHFFFAOYSA-N 1 0 368.359 3.684 20 30 FHEDRO Cc1cccnc1NC(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000378255661 942465082 /nfs/dbraw/zinc/46/50/82/942465082.db2.gz XAEPVAOVPHWLME-UHFFFAOYSA-N 1 0 367.880 3.746 20 30 FHEDRO C=CCN(Cc1ccccc1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000502469167 942467643 /nfs/dbraw/zinc/46/76/43/942467643.db2.gz ROHHFKKJEJTVEE-PXNSSMCTSA-N 1 0 350.462 3.703 20 30 FHEDRO C=C(C)C[NH+]1CCC(NCc2c(F)ccc(Br)c2F)CC1 ZINC000501428400 942473474 /nfs/dbraw/zinc/47/34/74/942473474.db2.gz VWFSCCQGLNARRG-UHFFFAOYSA-N 1 0 359.258 3.857 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000424999885 942481159 /nfs/dbraw/zinc/48/11/59/942481159.db2.gz AIGXYBXBTUIYOT-FXAWDEMLSA-N 1 0 365.864 3.558 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cc1F ZINC000421328522 942486354 /nfs/dbraw/zinc/48/63/54/942486354.db2.gz STKRSZBVMBLZNX-MRXNPFEDSA-N 1 0 374.257 3.828 20 30 FHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)s1 ZINC000421355777 942505491 /nfs/dbraw/zinc/50/54/91/942505491.db2.gz VBTSRFYCFGUBGR-UHFFFAOYSA-N 1 0 359.882 3.668 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c(Br)c1 ZINC000502512766 942506907 /nfs/dbraw/zinc/50/69/07/942506907.db2.gz SATVBCQGIXFMHE-ZIAGYGMSSA-N 1 0 359.214 3.961 20 30 FHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2C)c1C#N ZINC000501500156 942511048 /nfs/dbraw/zinc/51/10/48/942511048.db2.gz DFPRTLDVRTZVKX-YJYMSZOUSA-N 1 0 368.456 3.822 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000414835043 942516815 /nfs/dbraw/zinc/51/68/15/942516815.db2.gz UPLGQFPMZMSZMT-UHFFFAOYSA-N 1 0 350.466 3.871 20 30 FHEDRO C[C@H]([NH2+]C1(CNCc2ccc(C#N)c(F)c2)CCOCC1)c1ccccc1 ZINC000421365209 942517017 /nfs/dbraw/zinc/51/70/17/942517017.db2.gz QKCPQNLLCXCMPL-KRWDZBQOSA-N 1 0 367.468 3.687 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502565715 942547280 /nfs/dbraw/zinc/54/72/80/942547280.db2.gz NSSKTIGINBNARU-FVQBIDKESA-N 1 0 372.481 3.791 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc1F ZINC000421397526 942547680 /nfs/dbraw/zinc/54/76/80/942547680.db2.gz RXVMFFABOHGASV-RTWAWAEBSA-N 1 0 356.416 3.700 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)cc1F ZINC000421397527 942547851 /nfs/dbraw/zinc/54/78/51/942547851.db2.gz RXVMFFABOHGASV-SFTDATJTSA-N 1 0 356.416 3.700 20 30 FHEDRO N#Cc1cccc(OCC[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000501561719 942550760 /nfs/dbraw/zinc/55/07/60/942550760.db2.gz NXSIJUNUOBMOJV-KRWDZBQOSA-N 1 0 373.250 3.813 20 30 FHEDRO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000513718155 942577435 /nfs/dbraw/zinc/57/74/35/942577435.db2.gz VSHMGPVIOPLLJP-UHFFFAOYSA-N 1 0 362.433 3.893 20 30 FHEDRO C=C1CCC(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)CC1 ZINC001268966795 942604331 /nfs/dbraw/zinc/60/43/31/942604331.db2.gz DHZUYUDIJZICPC-LEWJYISDSA-N 1 0 361.574 3.528 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)CCCO2)C(C)C ZINC000513972338 942637430 /nfs/dbraw/zinc/63/74/30/942637430.db2.gz ASKHWOQSJULVQQ-LJQANCHMSA-N 1 0 357.498 3.832 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000513751038 942656538 /nfs/dbraw/zinc/65/65/38/942656538.db2.gz VIZHGGVXUKKBAD-RBUKOAKNSA-N 1 0 358.388 3.935 20 30 FHEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)C1CCN(Cc2ccncc2)CC1 ZINC000378386194 942697597 /nfs/dbraw/zinc/69/75/97/942697597.db2.gz UGVZMYYKOSWHLS-UHFFFAOYSA-N 1 0 353.897 3.683 20 30 FHEDRO C=CCN(C(=O)N[C@@H](C)c1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363821195 942753201 /nfs/dbraw/zinc/75/32/01/942753201.db2.gz LTXDIMRUTPGNRF-RXVVDRJESA-N 1 0 364.493 3.615 20 30 FHEDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)N2CCCC2)o1 ZINC000378449444 942782738 /nfs/dbraw/zinc/78/27/38/942782738.db2.gz GEYOUSCOVZLMPR-KNJMJIDISA-N 1 0 357.498 3.554 20 30 FHEDRO CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000378459316 942793492 /nfs/dbraw/zinc/79/34/92/942793492.db2.gz ZCLCLBPNVWUNIY-BQJUDKOJSA-N 1 0 372.509 3.740 20 30 FHEDRO CCCCSCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378482771 942816558 /nfs/dbraw/zinc/81/65/58/942816558.db2.gz NCPVASUWBKTLQY-UHFFFAOYSA-N 1 0 359.539 3.584 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NC(C)(C)c1ncc(C)s1)C(C)C ZINC000431874116 942827892 /nfs/dbraw/zinc/82/78/92/942827892.db2.gz BOIUATPSGGQYRZ-INIZCTEOSA-N 1 0 364.559 3.684 20 30 FHEDRO Cc1sc(NC(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c(C#N)c1C ZINC000378504943 942839175 /nfs/dbraw/zinc/83/91/75/942839175.db2.gz CIOIMTNCHBMFLM-QFBILLFUSA-N 1 0 369.490 3.543 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNc2c(C#N)cnc3c(Br)cccc32)C1 ZINC000584568589 942857027 /nfs/dbraw/zinc/85/70/27/942857027.db2.gz VMNRZFOOZIYBPT-LBPRGKRZSA-N 1 0 359.271 3.623 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000544112843 942898192 /nfs/dbraw/zinc/89/81/92/942898192.db2.gz PSKPXHWFWGIAQY-SJORKVTESA-N 1 0 357.498 3.698 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000510008174 942921932 /nfs/dbraw/zinc/92/19/32/942921932.db2.gz ZUTDMAUPJRGGJU-LJQANCHMSA-N 1 0 351.450 3.647 20 30 FHEDRO CCn1nccc1C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000434753207 942943127 /nfs/dbraw/zinc/94/31/27/942943127.db2.gz BEJNWKUZCNSUEW-UHFFFAOYSA-N 1 0 374.492 3.555 20 30 FHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000184334787 943000575 /nfs/dbraw/zinc/00/05/75/943000575.db2.gz OMYAUAJHCHQCOX-MRXNPFEDSA-N 1 0 370.497 3.754 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccsc1 ZINC000416680488 943036998 /nfs/dbraw/zinc/03/69/98/943036998.db2.gz IFQCCEGJBMREHI-OALUTQOASA-N 1 0 368.506 3.599 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCCCC[NH+]1CCCC1 ZINC000416724487 943064218 /nfs/dbraw/zinc/06/42/18/943064218.db2.gz NGOSXCBJUWIMKA-HXUWFJFHSA-N 1 0 354.498 3.501 20 30 FHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271964655 943075670 /nfs/dbraw/zinc/07/56/70/943075670.db2.gz SINICYYCEYTHLV-IRLDBZIGSA-N 1 0 371.484 3.998 20 30 FHEDRO COc1cc2c(cc1C[NH2+]CCSCc1ccccc1C#N)O[C@H](C)C2 ZINC000514517821 943078010 /nfs/dbraw/zinc/07/80/10/943078010.db2.gz ZXXMNWAGDFPEHH-OAHLLOKOSA-N 1 0 368.502 3.913 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000363937927 943100623 /nfs/dbraw/zinc/10/06/23/943100623.db2.gz IZUNBYWMVTVFGQ-QFBILLFUSA-N 1 0 370.884 3.957 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435040776 943107772 /nfs/dbraw/zinc/10/77/72/943107772.db2.gz NHYJAVXRSSCSSX-UHFFFAOYSA-N 1 0 361.489 3.746 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000272365605 943144251 /nfs/dbraw/zinc/14/42/51/943144251.db2.gz CMWZYNQIIHNAKV-GOSISDBHSA-N 1 0 368.525 3.896 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272566850 943178238 /nfs/dbraw/zinc/17/82/38/943178238.db2.gz RLZVWLAMGBAHIR-HNNXBMFYSA-N 1 0 360.527 3.934 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(-n2cccn2)cc1)C(C)C ZINC000503440047 943184902 /nfs/dbraw/zinc/18/49/02/943184902.db2.gz WPYITZKNYFHJLF-HXUWFJFHSA-N 1 0 367.497 3.692 20 30 FHEDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000503467961 943202864 /nfs/dbraw/zinc/20/28/64/943202864.db2.gz VMVJFOBYWLAXPU-HKUYNNGSSA-N 1 0 359.539 3.814 20 30 FHEDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503469097 943203906 /nfs/dbraw/zinc/20/39/06/943203906.db2.gz YMMFVUNESSZRKZ-DJSGYFEHSA-N 1 0 363.552 3.699 20 30 FHEDRO N#C[C@@H]1CCC[C@@H](Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)C1 ZINC000185744213 943216319 /nfs/dbraw/zinc/21/63/19/943216319.db2.gz ZSVXLRDLGHYCKP-QZTJIDSGSA-N 1 0 354.498 3.995 20 30 FHEDRO C=CCOc1c(Br)cc(C[N@@H+](C)C(C)(C)COC)cc1OC ZINC000430127515 943220706 /nfs/dbraw/zinc/22/07/06/943220706.db2.gz RMQXPVAWKPBOOI-UHFFFAOYSA-N 1 0 372.303 3.879 20 30 FHEDRO C=CCn1c(SCC[NH+]2C[C@H](C)C[C@@H](C)C2)nnc1-c1cccnc1 ZINC000514734871 943261774 /nfs/dbraw/zinc/26/17/74/943261774.db2.gz PCFQCZQTPNEIRN-HZPDHXFCSA-N 1 0 357.527 3.596 20 30 FHEDRO COc1ccc([C@@H](CNc2cccc(Cl)c2C#N)[NH+](C)C)cc1OC ZINC000514767806 943278977 /nfs/dbraw/zinc/27/89/77/943278977.db2.gz WCJHBPROWCQYQE-QGZVFWFLSA-N 1 0 359.857 3.944 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000514786644 943289677 /nfs/dbraw/zinc/28/96/77/943289677.db2.gz SXRXBUPDAJOFGW-GOSISDBHSA-N 1 0 353.514 3.517 20 30 FHEDRO N#C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000505660837 943322421 /nfs/dbraw/zinc/32/24/21/943322421.db2.gz LZQMRZLEKAMKDX-HXUWFJFHSA-N 1 0 367.880 3.933 20 30 FHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431918806 943333231 /nfs/dbraw/zinc/33/32/31/943333231.db2.gz MCCOZRUZRGJHGV-WSTZPKSXSA-N 1 0 356.514 3.984 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)C1 ZINC000664332036 943333336 /nfs/dbraw/zinc/33/33/36/943333336.db2.gz BHAPKEABMHWWEL-IBGZPJMESA-N 1 0 370.541 3.957 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000425341255 943336970 /nfs/dbraw/zinc/33/69/70/943336970.db2.gz CRVJUHGFYCTVFZ-UHFFFAOYSA-N 1 0 374.868 3.950 20 30 FHEDRO C[NH+](C)CC1(CNC(=O)N[C@H](CCCC#N)c2ccccc2)CCCC1 ZINC000431923756 943364519 /nfs/dbraw/zinc/36/45/19/943364519.db2.gz NPZUUYBGKPEHGX-LJQANCHMSA-N 1 0 356.514 3.843 20 30 FHEDRO N#CCCC[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000431924505 943375359 /nfs/dbraw/zinc/37/53/59/943375359.db2.gz OCEDXCYIKMLBJA-FQEVSTJZSA-N 1 0 354.498 3.595 20 30 FHEDRO C#CCOc1ccc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000236693087 943466841 /nfs/dbraw/zinc/46/68/41/943466841.db2.gz HNQVXLYESVGNJN-IBGZPJMESA-N 1 0 354.519 3.762 20 30 FHEDRO C=CCOCCC(=O)N1CCC2(C[NH+](C[C@@H](CC)CCCC)C2)CC1 ZINC001269982434 943474464 /nfs/dbraw/zinc/47/44/64/943474464.db2.gz LLMSKACNAYYSFD-IBGZPJMESA-N 1 0 350.547 3.720 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3C#N)C2)cc1 ZINC000109077834 943501508 /nfs/dbraw/zinc/50/15/08/943501508.db2.gz WAMASVDLWPBHBJ-XLIONFOSSA-N 1 0 360.461 3.608 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3C#N)C2)cc1 ZINC000109077833 943501571 /nfs/dbraw/zinc/50/15/71/943501571.db2.gz WAMASVDLWPBHBJ-PXNSSMCTSA-N 1 0 360.461 3.608 20 30 FHEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1C ZINC001105067873 943525361 /nfs/dbraw/zinc/52/53/61/943525361.db2.gz YQTKNQIEMGWPSP-BFYDXBDKSA-N 1 0 371.481 3.576 20 30 FHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435666099 943534986 /nfs/dbraw/zinc/53/49/86/943534986.db2.gz ZARMMWKOJDVVJK-QGZVFWFLSA-N 1 0 352.482 3.549 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1C#N ZINC000435683371 943544353 /nfs/dbraw/zinc/54/43/53/943544353.db2.gz PEKYLJWNEUKZBV-INIZCTEOSA-N 1 0 355.482 3.939 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000425401309 943549492 /nfs/dbraw/zinc/54/94/92/943549492.db2.gz PXROMKLSENOWTE-GOSISDBHSA-N 1 0 364.493 3.783 20 30 FHEDRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417369821 943551599 /nfs/dbraw/zinc/55/15/99/943551599.db2.gz RQSVFTDOKJMPJH-YVEFUNNKSA-N 1 0 359.271 3.573 20 30 FHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)C1 ZINC000582106036 943552601 /nfs/dbraw/zinc/55/26/01/943552601.db2.gz VDTDONRNKWYJMQ-PGVBMLAISA-N 1 0 366.436 3.859 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000435735730 943588780 /nfs/dbraw/zinc/58/87/80/943588780.db2.gz PNSKWAOMLGMHJN-YVEFUNNKSA-N 1 0 367.280 3.645 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cncnc1-c1ccccc1)C(C)C ZINC000515257124 943607202 /nfs/dbraw/zinc/60/72/02/943607202.db2.gz RXIGISWTAFIPBO-HXUWFJFHSA-N 1 0 364.493 3.572 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000424069777 943707874 /nfs/dbraw/zinc/70/78/74/943707874.db2.gz QQGAHAMFDSIRAD-QFBILLFUSA-N 1 0 366.465 3.691 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000424069582 943708289 /nfs/dbraw/zinc/70/82/89/943708289.db2.gz PZYUZMJDNADLNU-YOEHRIQHSA-N 1 0 356.495 3.625 20 30 FHEDRO CCOc1ccc(Oc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424079310 943712710 /nfs/dbraw/zinc/71/27/10/943712710.db2.gz RDPKQJOMRARDLR-LJQANCHMSA-N 1 0 353.422 3.837 20 30 FHEDRO Cc1ccc(-n2c3ccc(C)cc3nc2NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424124101 943744327 /nfs/dbraw/zinc/74/43/27/943744327.db2.gz LVNSTJCFXUCJMN-KRWDZBQOSA-N 1 0 361.449 3.602 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000424140446 943748148 /nfs/dbraw/zinc/74/81/48/943748148.db2.gz OGLPBFJXRRXBPD-FQEVSTJZSA-N 1 0 363.461 3.566 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000424179353 943762478 /nfs/dbraw/zinc/76/24/78/943762478.db2.gz YGUJABOIJDVAIH-HKUYNNGSSA-N 1 0 372.465 3.560 20 30 FHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458851005 943765012 /nfs/dbraw/zinc/76/50/12/943765012.db2.gz UVAINVAJIZOYKD-YZGWKJHDSA-N 1 0 354.498 3.690 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000515293091 943778094 /nfs/dbraw/zinc/77/80/94/943778094.db2.gz GBFUVDZMVMWRNP-FZKQIMNGSA-N 1 0 363.914 3.758 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 ZINC000515318782 943798368 /nfs/dbraw/zinc/79/83/68/943798368.db2.gz MDPAIFRCLCFXDY-MRXNPFEDSA-N 1 0 374.257 3.828 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000435863896 943814283 /nfs/dbraw/zinc/81/42/83/943814283.db2.gz CPVVHAPQHKUZQZ-UHFFFAOYSA-N 1 0 351.450 3.766 20 30 FHEDRO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000515355227 943820870 /nfs/dbraw/zinc/82/08/70/943820870.db2.gz DDICEWYGIROYQG-HSZRJFAPSA-N 1 0 371.484 3.696 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000425412720 943839232 /nfs/dbraw/zinc/83/92/32/943839232.db2.gz FYQXSGRNHOOPED-QZTJIDSGSA-N 1 0 356.514 3.773 20 30 FHEDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424331708 943847023 /nfs/dbraw/zinc/84/70/23/943847023.db2.gz SGYZXAZZTTYEFZ-MBNYWOFBSA-N 1 0 355.360 3.584 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000425416219 943859674 /nfs/dbraw/zinc/85/96/74/943859674.db2.gz KUNLMKDVGXQMFV-IRXDYDNUSA-N 1 0 356.514 3.771 20 30 FHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](C#N)CCc3ccccc3)C2)CC1 ZINC000435924481 943860009 /nfs/dbraw/zinc/86/00/09/943860009.db2.gz AZEIPVRSHVPSHJ-YADHBBJMSA-N 1 0 367.537 3.729 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000425424828 943886298 /nfs/dbraw/zinc/88/62/98/943886298.db2.gz NVEQKRURDIAAJU-ROUUACIJSA-N 1 0 356.514 3.915 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000424421966 943899971 /nfs/dbraw/zinc/89/99/71/943899971.db2.gz ZTWSRFJWQYJAOM-IAGOWNOFSA-N 1 0 368.412 3.881 20 30 FHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000437581025 943934952 /nfs/dbraw/zinc/93/49/52/943934952.db2.gz KXOPOTXYOCGAHZ-GOSISDBHSA-N 1 0 366.427 3.600 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CCC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000417909291 943946313 /nfs/dbraw/zinc/94/63/13/943946313.db2.gz CHWBNTLQLKLHQH-MRXNPFEDSA-N 1 0 355.404 3.718 20 30 FHEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](CC)c2ccc(Br)cc2)C1=O ZINC000500017303 943955710 /nfs/dbraw/zinc/95/57/10/943955710.db2.gz UHWGZJLORHMRLQ-JKSUJKDBSA-N 1 0 351.288 3.619 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417933756 943973822 /nfs/dbraw/zinc/97/38/22/943973822.db2.gz OTVHWOITGFXLAY-CJNGLKHVSA-N 1 0 355.404 3.703 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000417943832 943987434 /nfs/dbraw/zinc/98/74/34/943987434.db2.gz VKBDKFNIJBFQNF-XJKSGUPXSA-N 1 0 355.404 3.716 20 30 FHEDRO C=CCC[C@@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000417945488 943989707 /nfs/dbraw/zinc/98/97/07/943989707.db2.gz XTHXHXMJOYCRJA-CVEARBPZSA-N 1 0 355.404 3.749 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000505036065 943992992 /nfs/dbraw/zinc/99/29/92/943992992.db2.gz RVJRNQKKBYTBHL-NSHGMRRFSA-N 1 0 371.525 3.911 20 30 FHEDRO N#Cc1ccc(CN2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)cc1 ZINC000506084395 943999621 /nfs/dbraw/zinc/99/96/21/943999621.db2.gz ASPSEJJJCKEIHW-UHFFFAOYSA-N 1 0 368.484 3.938 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000437637296 944004659 /nfs/dbraw/zinc/00/46/59/944004659.db2.gz CVXZNEBKWIZZJK-HSZRJFAPSA-N 1 0 366.505 3.713 20 30 FHEDRO C=CCC1(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CCOCC1 ZINC000424589096 944009591 /nfs/dbraw/zinc/00/95/91/944009591.db2.gz JCRGRWPJLVSUJC-UHFFFAOYSA-N 1 0 370.537 3.908 20 30 FHEDRO C=CCC1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CCOCC1 ZINC000424626967 944018501 /nfs/dbraw/zinc/01/85/01/944018501.db2.gz NEAKJOLFVGKYIA-HXUWFJFHSA-N 1 0 356.510 3.621 20 30 FHEDRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414910974 944022931 /nfs/dbraw/zinc/02/29/31/944022931.db2.gz SJVKYDXRGOESMH-SUMWQHHRSA-N 1 0 356.857 3.712 20 30 FHEDRO C=CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000364196843 944033070 /nfs/dbraw/zinc/03/30/70/944033070.db2.gz SBGQBHPZWJACRO-FKBYEOEOSA-N 1 0 363.505 3.893 20 30 FHEDRO C[C@H](NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990243 944046091 /nfs/dbraw/zinc/04/60/91/944046091.db2.gz KDHMGQMIOYJFAJ-YESZJQIVSA-N 1 0 362.477 3.678 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417997983 944046860 /nfs/dbraw/zinc/04/68/60/944046860.db2.gz SQQQEEFMMGHOEP-KSFYIVLOSA-N 1 0 362.477 3.667 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H](C)CCC[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418002340 944050415 /nfs/dbraw/zinc/05/04/15/944050415.db2.gz XJVLJRFJDQWGOK-JKSUJKDBSA-N 1 0 350.466 3.713 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417993320 944051436 /nfs/dbraw/zinc/05/14/36/944051436.db2.gz NSTSGVHPXYFXSD-JHVJFLLYSA-N 1 0 362.477 3.855 20 30 FHEDRO CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515626814 944058883 /nfs/dbraw/zinc/05/88/83/944058883.db2.gz ALOBCACGQVHZNG-IBGZPJMESA-N 1 0 366.440 3.826 20 30 FHEDRO CCN1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000515656476 944081275 /nfs/dbraw/zinc/08/12/75/944081275.db2.gz GJDWJGWOJCPLPK-UYAOXDASSA-N 1 0 359.395 3.901 20 30 FHEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000517190368 944087863 /nfs/dbraw/zinc/08/78/63/944087863.db2.gz NGYJQMSSXHKUCF-ZSDSOXJFSA-N 1 0 355.482 3.602 20 30 FHEDRO CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000517199545 944096678 /nfs/dbraw/zinc/09/66/78/944096678.db2.gz ZEBACPSZQRVURP-LPHOPBHVSA-N 1 0 363.452 3.588 20 30 FHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000500107520 944111498 /nfs/dbraw/zinc/11/14/98/944111498.db2.gz CJEPOZTUURMSAJ-NRFANRHFSA-N 1 0 362.477 3.557 20 30 FHEDRO C[N@H+](CCCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C1CCCCC1 ZINC000505219300 944132837 /nfs/dbraw/zinc/13/28/37/944132837.db2.gz KXNMOEWNUMKBGG-UHFFFAOYSA-N 1 0 359.489 3.746 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCCC[NH3+])cc1Cl ZINC000414914153 944134198 /nfs/dbraw/zinc/13/41/98/944134198.db2.gz XDBBKCVADHPFHI-KRWDZBQOSA-N 1 0 356.857 3.856 20 30 FHEDRO C=C(C)COc1cc(C[N@H+]2CC=C(c3ccnn3C)CC2)ccc1OC ZINC000515710369 944134726 /nfs/dbraw/zinc/13/47/26/944134726.db2.gz HYPXCYLZAQGVDX-UHFFFAOYSA-N 1 0 353.466 3.673 20 30 FHEDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414914887 944154213 /nfs/dbraw/zinc/15/42/13/944154213.db2.gz YBLXTPBISYAILM-RDTXWAMCSA-N 1 0 370.884 3.972 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]([NH3+])C2CC2)cc1Cl ZINC000414915780 944183634 /nfs/dbraw/zinc/18/36/34/944183634.db2.gz ZVIKQBUXYQTRAY-HKUYNNGSSA-N 1 0 368.868 3.854 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000436307425 944190269 /nfs/dbraw/zinc/19/02/69/944190269.db2.gz NOABMAHMBJOUSY-BLIXFSHQSA-N 1 0 355.482 3.631 20 30 FHEDRO N#CC1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCC1 ZINC000418141799 944204410 /nfs/dbraw/zinc/20/44/10/944204410.db2.gz LWCDHFIHIWGLGU-UHFFFAOYSA-N 1 0 362.315 3.697 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc2c1OCCO2 ZINC000418148847 944211259 /nfs/dbraw/zinc/21/12/59/944211259.db2.gz UEYWRTZPCHBONH-GOSISDBHSA-N 1 0 350.418 3.505 20 30 FHEDRO C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000418150062 944211776 /nfs/dbraw/zinc/21/17/76/944211776.db2.gz VUMKDHHBWOEGKD-QVKFZJNVSA-N 1 0 368.502 3.732 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000517341265 944219099 /nfs/dbraw/zinc/21/90/99/944219099.db2.gz JXWYSALUIAJNNI-TZIWHRDSSA-N 1 0 355.526 3.738 20 30 FHEDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000517360250 944229258 /nfs/dbraw/zinc/22/92/58/944229258.db2.gz CUXBKWANIYARNF-UHFFFAOYSA-N 1 0 369.440 3.807 20 30 FHEDRO CSc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425528938 944239356 /nfs/dbraw/zinc/23/93/56/944239356.db2.gz AAPMZVNBMBDCDL-YJBOKZPZSA-N 1 0 356.491 3.713 20 30 FHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCC(=O)N2CCc3ccccc3C2)cc1 ZINC000261968241 944252615 /nfs/dbraw/zinc/25/26/15/944252615.db2.gz CFUPUACTXYSKEP-INIZCTEOSA-N 1 0 364.493 3.512 20 30 FHEDRO CC[N@H+](CC(=O)NCCC#N)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000759792048 944254226 /nfs/dbraw/zinc/25/42/26/944254226.db2.gz LTPFFHDCJOMSLQ-KRWDZBQOSA-N 1 0 365.477 3.775 20 30 FHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000418211418 944268876 /nfs/dbraw/zinc/26/88/76/944268876.db2.gz IHEUGFLBWSWQIF-OXJNMPFZSA-N 1 0 350.466 3.941 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000418214873 944275919 /nfs/dbraw/zinc/27/59/19/944275919.db2.gz MHPDYFITZUPHKE-PMACEKPBSA-N 1 0 354.498 3.595 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000364312324 944297319 /nfs/dbraw/zinc/29/73/19/944297319.db2.gz XFEUOLGYFSXDDS-WDYCEAGBSA-N 1 0 351.874 3.807 20 30 FHEDRO CCOc1ccc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000517439450 944298628 /nfs/dbraw/zinc/29/86/28/944298628.db2.gz YBHSHHBQMLNNLU-UHFFFAOYSA-N 1 0 355.457 3.660 20 30 FHEDRO C[N@H+](CCOc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543554111 944308103 /nfs/dbraw/zinc/30/81/03/944308103.db2.gz ZEUZTQKJZDWUCT-PZJWPPBQSA-N 1 0 354.425 3.928 20 30 FHEDRO N#C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000505821838 944321553 /nfs/dbraw/zinc/32/15/53/944321553.db2.gz RHNZMHVDHPKABM-QUCCMNQESA-N 1 0 367.880 3.933 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000506484596 944344228 /nfs/dbraw/zinc/34/42/28/944344228.db2.gz YSNGOSVEUBHEAM-MOPGFXCFSA-N 1 0 350.510 3.897 20 30 FHEDRO C=CCc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc(OC)c1OC ZINC000025331377 944366212 /nfs/dbraw/zinc/36/62/12/944366212.db2.gz UMAKBODQSBUYPQ-QGZVFWFLSA-N 1 0 374.506 3.527 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000506496061 944367711 /nfs/dbraw/zinc/36/77/11/944367711.db2.gz PJWRLSRIXFUONN-UHFFFAOYSA-N 1 0 368.452 3.785 20 30 FHEDRO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1OC(F)F ZINC000437893327 944385358 /nfs/dbraw/zinc/38/53/58/944385358.db2.gz FHPPOLYOKUPWJC-UHFFFAOYSA-N 1 0 354.397 3.713 20 30 FHEDRO C=CCOCC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000549998268 944398313 /nfs/dbraw/zinc/39/83/13/944398313.db2.gz WOTOYOBIZMFCAA-UHFFFAOYSA-N 1 0 354.288 3.633 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)C2=O)cc1 ZINC000437781132 944411896 /nfs/dbraw/zinc/41/18/96/944411896.db2.gz FHLBKUDRHXICJZ-ZOBUZTSGSA-N 1 0 365.399 3.764 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000111769481 944428772 /nfs/dbraw/zinc/42/87/72/944428772.db2.gz UPKRCTPZWUNYRY-UHFFFAOYSA-N 1 0 374.488 3.574 20 30 FHEDRO C=CCn1c(C2CCC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000517627433 944442725 /nfs/dbraw/zinc/44/27/25/944442725.db2.gz RZRGJBPDLMGQLS-SFHVURJKSA-N 1 0 365.525 3.832 20 30 FHEDRO Cc1ccc(C#N)c(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000500296746 944443187 /nfs/dbraw/zinc/44/31/87/944443187.db2.gz OJBRFCXLYQVDAB-QGZVFWFLSA-N 1 0 360.383 3.967 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(COC(C)(C)C)c2)CC1 ZINC000518510511 944455574 /nfs/dbraw/zinc/45/55/74/944455574.db2.gz SKSLBZGSWYHUJE-UHFFFAOYSA-N 1 0 373.541 3.841 20 30 FHEDRO N#CCOc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000048514149 944473073 /nfs/dbraw/zinc/47/30/73/944473073.db2.gz LTIBJIBVSVVNMK-HXUWFJFHSA-N 1 0 364.449 3.548 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000187908995 944504669 /nfs/dbraw/zinc/50/46/69/944504669.db2.gz IIQHFZCDGYPCER-IFMALSPDSA-N 1 0 374.525 3.567 20 30 FHEDRO CC1(C)[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000517733167 944544965 /nfs/dbraw/zinc/54/49/65/944544965.db2.gz VTZMFWQCRGRSOG-BVSLBCMMSA-N 1 0 364.489 3.522 20 30 FHEDRO CC1(C)[C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000517733168 944545384 /nfs/dbraw/zinc/54/53/84/944545384.db2.gz VTZMFWQCRGRSOG-HJNYFJLDSA-N 1 0 364.489 3.522 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473057028 944587338 /nfs/dbraw/zinc/58/73/38/944587338.db2.gz JIFSLXRNQARDCY-UHFFFAOYSA-N 1 0 355.453 3.960 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC000439434640 944609881 /nfs/dbraw/zinc/60/98/81/944609881.db2.gz CCCVLJMSIXTWKO-GOSISDBHSA-N 1 0 371.912 3.826 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC000439434644 944610121 /nfs/dbraw/zinc/61/01/21/944610121.db2.gz CCCVLJMSIXTWKO-SFHVURJKSA-N 1 0 371.912 3.826 20 30 FHEDRO C=C[C@@H]1CCCCN1C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000426016097 944622811 /nfs/dbraw/zinc/62/28/11/944622811.db2.gz HSSAHQAMGRATBC-QWFCFKBJSA-N 1 0 355.526 3.893 20 30 FHEDRO C=CCn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517784438 944626090 /nfs/dbraw/zinc/62/60/90/944626090.db2.gz OMOCHRPZRHDHAX-FXAWDEMLSA-N 1 0 365.525 3.831 20 30 FHEDRO COc1ccccc1/C=C/C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438468219 944652592 /nfs/dbraw/zinc/65/25/92/944652592.db2.gz CUGNSNGFIUEQLI-QPJJXVBHSA-N 1 0 363.461 3.955 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000516298865 944682759 /nfs/dbraw/zinc/68/27/59/944682759.db2.gz ZBHMVEHHZMYBHL-SFHVURJKSA-N 1 0 356.510 3.626 20 30 FHEDRO Cc1ccc2c(CCNC(=[NH2+])Nc3ccc4c(c3)OCCCO4)c[nH]c2c1 ZINC000261993861 944697021 /nfs/dbraw/zinc/69/70/21/944697021.db2.gz NDAQRSJLOKJYFX-UHFFFAOYSA-N 1 0 364.449 3.607 20 30 FHEDRO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCC(=O)OC(C)(C)C ZINC000438535337 944758062 /nfs/dbraw/zinc/75/80/62/944758062.db2.gz LLLMNRWQSIFSPV-UHFFFAOYSA-N 1 0 357.372 3.600 20 30 FHEDRO N#Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)sc2c1CCCC2 ZINC000426772427 944790917 /nfs/dbraw/zinc/79/09/17/944790917.db2.gz DKIZNCYLTLJMFE-GASCZTMLSA-N 1 0 357.523 3.949 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000425651623 944799307 /nfs/dbraw/zinc/79/93/07/944799307.db2.gz YIADERWBGSXPTQ-FOIQADDNSA-N 1 0 368.456 3.703 20 30 FHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438565336 944801218 /nfs/dbraw/zinc/80/12/18/944801218.db2.gz BFMVLJZYWBUDHP-GOSISDBHSA-N 1 0 364.411 3.580 20 30 FHEDRO FC(F)(F)c1ccc(C#CCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000426466626 944883301 /nfs/dbraw/zinc/88/33/01/944883301.db2.gz DHNUTBLFYYVEJU-SFHVURJKSA-N 1 0 350.428 3.865 20 30 FHEDRO C[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000517977223 944886026 /nfs/dbraw/zinc/88/60/26/944886026.db2.gz VLXOCXMWQWIGKK-ZACQAIPSSA-N 1 0 356.514 3.675 20 30 FHEDRO N#CCCC[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1 ZINC000431987928 944897554 /nfs/dbraw/zinc/89/75/54/944897554.db2.gz RTVGZPDLVKENGK-SFTDATJTSA-N 1 0 368.525 3.985 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc3cc(OC)ccc3c2)CC1 ZINC000517994688 944915503 /nfs/dbraw/zinc/91/55/03/944915503.db2.gz XCXLVBKTZLLAAG-UHFFFAOYSA-N 1 0 367.493 3.688 20 30 FHEDRO C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)[NH+]1CCCCCC1 ZINC000505923060 944916920 /nfs/dbraw/zinc/91/69/20/944916920.db2.gz PJIQYLJXWIZIMB-LRDDRELGSA-N 1 0 354.281 3.939 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000438699699 944941578 /nfs/dbraw/zinc/94/15/78/944941578.db2.gz UMHZMJLVQVSFGQ-QHCPKHFHSA-N 1 0 370.456 3.794 20 30 FHEDRO COc1ccc2c(c1)CC[N@@H+](Cc1cccc(OCCCC#N)c1)CC2 ZINC000439779994 944962977 /nfs/dbraw/zinc/96/29/77/944962977.db2.gz JECUCWLFVSUBLJ-UHFFFAOYSA-N 1 0 350.462 3.979 20 30 FHEDRO CC[NH+](CC)CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C ZINC000518945495 944973389 /nfs/dbraw/zinc/97/33/89/944973389.db2.gz NNSPEMMTWRRSSB-UHFFFAOYSA-N 1 0 353.441 3.881 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000437845859 945020993 /nfs/dbraw/zinc/02/09/93/945020993.db2.gz KMXFRRFNLPNQGT-HXUWFJFHSA-N 1 0 351.494 3.503 20 30 FHEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000516570844 945042918 /nfs/dbraw/zinc/04/29/18/945042918.db2.gz HKHUWHZEXGRLNP-GFCCVEGCSA-N 1 0 359.355 3.813 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507212318 945044695 /nfs/dbraw/zinc/04/46/95/945044695.db2.gz VNFNTRCXUWMGND-IIBYNOLFSA-N 1 0 359.489 3.523 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000507618451 945380947 /nfs/dbraw/zinc/38/09/47/945380947.db2.gz CTSQHRAIEFCCJL-YUVSOPLDSA-N 1 0 366.480 3.970 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330165797 945383236 /nfs/dbraw/zinc/38/32/36/945383236.db2.gz XHOTZXSGTMABKG-KNQAVFIVSA-N 1 0 372.509 3.681 20 30 FHEDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507648361 945399519 /nfs/dbraw/zinc/39/95/19/945399519.db2.gz GRMIHBFUSNHERK-MIJUQJRQSA-N 1 0 350.510 3.962 20 30 FHEDRO O=C(N[C@@H]1CCOC2(CCOCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000330214194 945406463 /nfs/dbraw/zinc/40/64/63/945406463.db2.gz FZAOYGZXMRUQEF-HXUWFJFHSA-N 1 0 372.509 3.583 20 30 FHEDRO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1C ZINC000330226189 945411702 /nfs/dbraw/zinc/41/17/02/945411702.db2.gz BKCDTCACEUBWNN-KRWDZBQOSA-N 1 0 359.470 3.554 20 30 FHEDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@@H]1CCOC2(CCC2)C1 ZINC000330237565 945416859 /nfs/dbraw/zinc/41/68/59/945416859.db2.gz ZOQKBOOFZFFHDB-MOPGFXCFSA-N 1 0 363.546 3.636 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000330270580 945436356 /nfs/dbraw/zinc/43/63/56/945436356.db2.gz ULCJHFQMKFABKZ-WSTZPKSXSA-N 1 0 370.493 3.912 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000120875310 945438340 /nfs/dbraw/zinc/43/83/40/945438340.db2.gz BRIDJAAYTAMLKV-WBMJQRKESA-N 1 0 368.403 3.771 20 30 FHEDRO CC[N@H+](C[C@H](O)COc1cc(C)cc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507699954 945464911 /nfs/dbraw/zinc/46/49/11/945464911.db2.gz DYPPOKWNFMIDFK-RXVVDRJESA-N 1 0 352.478 3.998 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000330299600 945470447 /nfs/dbraw/zinc/47/04/47/945470447.db2.gz IBTCYWNPCFMJST-NVXWUHKLSA-N 1 0 370.415 3.582 20 30 FHEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1OC ZINC000280947097 945475603 /nfs/dbraw/zinc/47/56/03/945475603.db2.gz RHAVSNUPZAZCFS-HZPDHXFCSA-N 1 0 354.450 3.888 20 30 FHEDRO N#Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1Cl ZINC000519492367 945482430 /nfs/dbraw/zinc/48/24/30/945482430.db2.gz GLQGQFYPYBORCM-DLBZAZTESA-N 1 0 352.869 3.565 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)N(C)CCC#N ZINC000511876615 945488214 /nfs/dbraw/zinc/48/82/14/945488214.db2.gz SHYXTNHYAXEEKP-IAOVAPTHSA-N 1 0 367.415 3.692 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000519512522 945514919 /nfs/dbraw/zinc/51/49/19/945514919.db2.gz RXBGAJXMXVYZEQ-PGRDOPGGSA-N 1 0 368.525 3.766 20 30 FHEDRO O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000330310164 945530411 /nfs/dbraw/zinc/53/04/11/945530411.db2.gz NFEOQEMYICXSKL-QGZVFWFLSA-N 1 0 353.470 3.992 20 30 FHEDRO N#CCOc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000281223738 945558198 /nfs/dbraw/zinc/55/81/98/945558198.db2.gz ZQPFJZDUCBHYKU-GOSISDBHSA-N 1 0 356.470 3.508 20 30 FHEDRO N#CC1(CCCN2CCCC[C@@H]2C(=O)OCc2ccccc2)CCOCC1 ZINC000281230873 945569157 /nfs/dbraw/zinc/56/91/57/945569157.db2.gz FJFDQCSRPPLMAD-HXUWFJFHSA-N 1 0 370.493 3.685 20 30 FHEDRO CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000262021378 945582687 /nfs/dbraw/zinc/58/26/87/945582687.db2.gz YBJBILJCASTGKL-SFTDATJTSA-N 1 0 351.494 3.862 20 30 FHEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OC)c(OC)c1O ZINC000894417591 945595988 /nfs/dbraw/zinc/59/59/88/945595988.db2.gz QZZKWJVWGFMIAW-UHFFFAOYSA-N 1 0 359.470 3.765 20 30 FHEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCCC3(C#N)CCOCC3)ccc2NC1=O ZINC000281420434 945627196 /nfs/dbraw/zinc/62/71/96/945627196.db2.gz BPYKJFDVTIQKPD-CRAIPNDOSA-N 1 0 371.481 3.547 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2nccc(C(F)(F)F)n2)c(O)c1 ZINC000840709064 945640269 /nfs/dbraw/zinc/64/02/69/945640269.db2.gz AUOIAQGPKJGSJT-FBHDLOMBSA-N 1 0 352.360 3.666 20 30 FHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000651687938 945663559 /nfs/dbraw/zinc/66/35/59/945663559.db2.gz VXTJCZDSGKODNI-UGNRZPKXSA-N 1 0 356.510 3.770 20 30 FHEDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000519545122 945691270 /nfs/dbraw/zinc/69/12/70/945691270.db2.gz WHVHDFXRWYZYIK-WOJBJXKFSA-N 1 0 372.896 3.757 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000661100441 945730384 /nfs/dbraw/zinc/73/03/84/945730384.db2.gz AYFHDJFXPVOVSI-OOHWJJMZSA-N 1 0 373.463 3.789 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000661115509 945739403 /nfs/dbraw/zinc/73/94/03/945739403.db2.gz DABGIIIYZGPDIU-QFBILLFUSA-N 1 0 351.494 3.777 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000661116965 945747675 /nfs/dbraw/zinc/74/76/75/945747675.db2.gz AJCIYAROYJCRBD-XLIONFOSSA-N 1 0 371.525 3.832 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000661116376 945748526 /nfs/dbraw/zinc/74/85/26/945748526.db2.gz JIQSEXPKWUVFCZ-YOEHRIQHSA-N 1 0 357.454 3.978 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000661117385 945750059 /nfs/dbraw/zinc/75/00/59/945750059.db2.gz QMAGWPRGNRHRBH-ZFWWWQNUSA-N 1 0 357.454 3.577 20 30 FHEDRO CCN1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519830789 945791711 /nfs/dbraw/zinc/79/17/11/945791711.db2.gz AQQOLDDNZGATKS-RBUKOAKNSA-N 1 0 358.848 3.671 20 30 FHEDRO O=C(NCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1)C1N=CC=CC1=O ZINC000281686901 945810779 /nfs/dbraw/zinc/81/07/79/945810779.db2.gz RUQPNGFOCUDVAL-PXBNPBHZSA-N 1 0 373.884 3.687 20 30 FHEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)C1 ZINC000651750007 945829615 /nfs/dbraw/zinc/82/96/15/945829615.db2.gz RNCUSPSKNJRMRT-OXFYSEKESA-N 1 0 355.482 3.861 20 30 FHEDRO CC(C)(C)OCCCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000475055177 945874449 /nfs/dbraw/zinc/87/44/49/945874449.db2.gz XVSQQPWKLYLIKN-UHFFFAOYSA-N 1 0 372.469 3.524 20 30 FHEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COCc1ccccc1Cl ZINC000519908775 945874896 /nfs/dbraw/zinc/87/48/96/945874896.db2.gz PFQWNRVVXWVJMM-HXUWFJFHSA-N 1 0 372.896 4.000 20 30 FHEDRO COc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccc1C#N ZINC000281857317 945888534 /nfs/dbraw/zinc/88/85/34/945888534.db2.gz ZQVRHIMANHIJJD-UHFFFAOYSA-N 1 0 364.493 3.709 20 30 FHEDRO C[C@@H]1C[N@@H+](CCCCNc2cccc(Br)c2C#N)C[C@H](C)O1 ZINC000439965810 945904179 /nfs/dbraw/zinc/90/41/79/945904179.db2.gz HKDZUCSRLFOQAY-OKILXGFUSA-N 1 0 366.303 3.622 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC)cc1OC ZINC000522849726 945986467 /nfs/dbraw/zinc/98/64/67/945986467.db2.gz QLFWGIKVGCKRBJ-SFHVURJKSA-N 1 0 360.498 3.644 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000661329194 945998945 /nfs/dbraw/zinc/99/89/45/945998945.db2.gz OLRYNUUNSOJHGA-NRFANRHFSA-N 1 0 355.526 3.595 20 30 FHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC001126497501 946015327 /nfs/dbraw/zinc/01/53/27/946015327.db2.gz LNSQLLWQZNUWQT-QFIPXVFZSA-N 1 0 373.500 3.885 20 30 FHEDRO Cn1c(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)nc2cc(Cl)ccc21 ZINC000262404754 946018937 /nfs/dbraw/zinc/01/89/37/946018937.db2.gz BBLHKMKXLBUSLZ-UHFFFAOYSA-N 1 0 353.857 3.642 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC3(CCCCC3)C2)cc1Cl ZINC000444197026 946055688 /nfs/dbraw/zinc/05/56/88/946055688.db2.gz NNGZNPCQZYPMKC-UHFFFAOYSA-N 1 0 361.873 3.575 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCCO[C@@H]2C(C)(C)C)cc1Cl ZINC000262506369 946056726 /nfs/dbraw/zinc/05/67/26/946056726.db2.gz BORSJOFUNWRZBM-WBMJQRKESA-N 1 0 353.894 3.917 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000444208966 946071015 /nfs/dbraw/zinc/07/10/15/946071015.db2.gz YWVAZZXDFOTQAL-QGZVFWFLSA-N 1 0 369.431 3.938 20 30 FHEDRO C#Cc1ccc(C(=O)N(CCC)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000728821570 946073956 /nfs/dbraw/zinc/07/39/56/946073956.db2.gz AKSVCYAMPSXEIA-QFIPXVFZSA-N 1 0 361.489 3.580 20 30 FHEDRO C=CC[C@]1(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)CCC[NH2+]1 ZINC000662825894 946076648 /nfs/dbraw/zinc/07/66/48/946076648.db2.gz NSPWCFLZKMGSEI-OXQOHEQNSA-N 1 0 362.901 3.656 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000661419521 946088880 /nfs/dbraw/zinc/08/88/80/946088880.db2.gz RJWVXWSCOLERFR-RTWAWAEBSA-N 1 0 370.541 3.728 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C3(C#N)CCCCC3)c2)CC1 ZINC000118950074 946100180 /nfs/dbraw/zinc/10/01/80/946100180.db2.gz DBVIBQPVWFXLSA-UHFFFAOYSA-N 1 0 354.498 3.630 20 30 FHEDRO N#Cc1ccc(CCC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000075630877 946101728 /nfs/dbraw/zinc/10/17/28/946101728.db2.gz BYJOQJWBFQUBCV-QFIPXVFZSA-N 1 0 361.489 3.834 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC1CCC(C#N)CC1 ZINC000441002316 946101662 /nfs/dbraw/zinc/10/16/62/946101662.db2.gz VECQTFSHIOOPRX-UVHRUJRTSA-N 1 0 368.525 3.621 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)NCC1CCC(C#N)CC1)Cc1ccccc1 ZINC000441005372 946104592 /nfs/dbraw/zinc/10/45/92/946104592.db2.gz CTAOWWJXHIBOKA-CBNMVNINSA-N 1 0 370.541 3.569 20 30 FHEDRO [NH2+]=C(NCCc1cccs1)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000262411705 946112854 /nfs/dbraw/zinc/11/28/54/946112854.db2.gz LNYRVSVNBOKFPV-DZGCQCFKSA-N 1 0 364.312 3.514 20 30 FHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508481293 946138209 /nfs/dbraw/zinc/13/82/09/946138209.db2.gz PBVGOHKWFCXPCY-SFHVURJKSA-N 1 0 351.498 3.504 20 30 FHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COCc1ccccc1Cl ZINC000520135826 946193512 /nfs/dbraw/zinc/19/35/12/946193512.db2.gz QEJNSEHLDGXKBR-HXUWFJFHSA-N 1 0 370.880 3.777 20 30 FHEDRO C=C[C@@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000662866035 946204786 /nfs/dbraw/zinc/20/47/86/946204786.db2.gz AOMGXLSQFIRBSU-XERREHJYSA-N 1 0 370.443 3.886 20 30 FHEDRO C=CCCNC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000661564641 946277398 /nfs/dbraw/zinc/27/73/98/946277398.db2.gz CPXCWMDLYKDAJZ-FQEVSTJZSA-N 1 0 355.526 3.895 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000108931841 946329501 /nfs/dbraw/zinc/32/95/01/946329501.db2.gz BWJCKBPSUDWPKP-UHFFFAOYSA-N 1 0 366.436 3.688 20 30 FHEDRO N#Cc1ccc(C2(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)CCCC2)cc1 ZINC001126596559 946344229 /nfs/dbraw/zinc/34/42/29/946344229.db2.gz FZGRPZDHPHESMK-OAQYLSRUSA-N 1 0 365.521 3.751 20 30 FHEDRO C=C(C)C[NH+]1CCC(N[C@@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000652151165 946384881 /nfs/dbraw/zinc/38/48/81/946384881.db2.gz KURGWRHBVHQTHA-QFIPXVFZSA-N 1 0 351.494 3.810 20 30 FHEDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000475130280 946437486 /nfs/dbraw/zinc/43/74/86/946437486.db2.gz UWWHXRRDHPEVKL-JOCHJYFZSA-N 1 0 350.462 3.874 20 30 FHEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823894137 946504275 /nfs/dbraw/zinc/50/42/75/946504275.db2.gz INVMOVFQOYIQIA-QRWLVFNGSA-N 1 0 363.465 3.511 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000473898902 946504678 /nfs/dbraw/zinc/50/46/78/946504678.db2.gz XEZZNWHUZQPMSS-DYESRHJHSA-N 1 0 360.498 3.575 20 30 FHEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000441370872 946523629 /nfs/dbraw/zinc/52/36/29/946523629.db2.gz RXBLXYBBJOLQNS-PBHICJAKSA-N 1 0 367.415 3.742 20 30 FHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000441388115 946543424 /nfs/dbraw/zinc/54/34/24/946543424.db2.gz YZOSELUXTTXMBG-NHCUHLMSSA-N 1 0 352.478 3.560 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1ccc(Cl)cc1Cl ZINC000064361978 946551944 /nfs/dbraw/zinc/55/19/44/946551944.db2.gz SIZPJWIACPMONJ-UHFFFAOYSA-N 1 0 356.297 3.620 20 30 FHEDRO CC[C@H](C)NC(=[NH2+])NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000303406225 946574504 /nfs/dbraw/zinc/57/45/04/946574504.db2.gz RDVWLVDBVSVUCF-KRWDZBQOSA-N 1 0 361.493 3.801 20 30 FHEDRO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)C(C)(C)C ZINC000661759955 946598809 /nfs/dbraw/zinc/59/88/09/946598809.db2.gz MWMCOIUCXNIZHY-KRWDZBQOSA-N 1 0 360.498 3.654 20 30 FHEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OC(=O)CC)c(OCC)c2)CC1 ZINC000840892939 946619646 /nfs/dbraw/zinc/61/96/46/946619646.db2.gz ALPLGLSDCMUZDQ-UHFFFAOYSA-N 1 0 360.498 3.531 20 30 FHEDRO COc1cc2c(cc1C[NH2+]Cc1cccc(OCCCC#N)c1)O[C@@H](C)C2 ZINC000237299156 946649485 /nfs/dbraw/zinc/64/94/85/946649485.db2.gz JNFQBHMYKSTLGI-INIZCTEOSA-N 1 0 366.461 3.991 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccnc(SCC(F)(F)F)c2)CC1 ZINC000112636579 946708689 /nfs/dbraw/zinc/70/86/89/946708689.db2.gz PULUNWVOZSDMAR-UHFFFAOYSA-N 1 0 373.444 3.506 20 30 FHEDRO CCCCCCNC(=[NH2+])NCC1(c2cc(C)ccc2OC)CCOCC1 ZINC000303882907 946724066 /nfs/dbraw/zinc/72/40/66/946724066.db2.gz LZJKUXKLPCWYBO-UHFFFAOYSA-N 1 0 361.530 3.536 20 30 FHEDRO Cc1ccccc1OCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000303888410 946724746 /nfs/dbraw/zinc/72/47/46/946724746.db2.gz OYECPPPKAPVACD-UHFFFAOYSA-N 1 0 353.344 3.699 20 30 FHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508496219 946739793 /nfs/dbraw/zinc/73/97/93/946739793.db2.gz YOZAEUYGIHNELY-HXUWFJFHSA-N 1 0 367.541 3.973 20 30 FHEDRO CCc1cccc(NC(=[NH2+])NC[C@H]2CCN(c3ccccc3OC)C2)c1 ZINC000303980063 946752132 /nfs/dbraw/zinc/75/21/32/946752132.db2.gz NTXQNPGJUPAHQA-QGZVFWFLSA-N 1 0 352.482 3.511 20 30 FHEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@@H](O)COc1ccccc1C#N ZINC001168074470 946767498 /nfs/dbraw/zinc/76/74/98/946767498.db2.gz UZQYTSGSRVEDDY-NHCUHLMSSA-N 1 0 352.478 3.641 20 30 FHEDRO C=C(C)C(=O)OCCNc1cc(Br)ccc1C[NH+](CC)CC ZINC001168076009 946817794 /nfs/dbraw/zinc/81/77/94/946817794.db2.gz AKKFPDAMAGCSMC-UHFFFAOYSA-N 1 0 369.303 3.822 20 30 FHEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000028924913 946829409 /nfs/dbraw/zinc/82/94/09/946829409.db2.gz HLOXOGFBVZZACI-MRXNPFEDSA-N 1 0 350.466 3.846 20 30 FHEDRO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)Oc1ccccc1 ZINC000305245647 946838046 /nfs/dbraw/zinc/83/80/46/946838046.db2.gz STJQHCUFPILCRH-LBPRGKRZSA-N 1 0 353.344 3.779 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000305292637 946840329 /nfs/dbraw/zinc/84/03/29/946840329.db2.gz FQEGZRDLNCNHQA-ATZDWAIDSA-N 1 0 373.497 3.558 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475311613 946864208 /nfs/dbraw/zinc/86/42/08/946864208.db2.gz IWHOIGJDENNTBP-UHFFFAOYSA-N 1 0 367.468 3.831 20 30 FHEDRO CCOc1cc(CNC(=[NH2+])NC2CCCCCC2)ccc1OC(F)F ZINC000305747445 946866277 /nfs/dbraw/zinc/86/62/77/946866277.db2.gz SHVWNLIQOINXJN-UHFFFAOYSA-N 1 0 355.429 3.814 20 30 FHEDRO C[C@@H](NC(=[NH2+])NC[C@](C)(O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000262551305 946915123 /nfs/dbraw/zinc/91/51/23/946915123.db2.gz YJRQNGFWCISNNT-HWPZZCPQSA-N 1 0 372.321 3.928 20 30 FHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000909603790 946923203 /nfs/dbraw/zinc/92/32/03/946923203.db2.gz UIGPWVOWKKALNR-UHFFFAOYSA-N 1 0 362.355 3.594 20 30 FHEDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)c2ccc(F)cc2C1 ZINC000184513531 946925107 /nfs/dbraw/zinc/92/51/07/946925107.db2.gz PUJQNUJIBPXVPA-SZNDQCEHSA-N 1 0 351.425 3.841 20 30 FHEDRO C#CC[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000783567453 946934618 /nfs/dbraw/zinc/93/46/18/946934618.db2.gz PKZJGZFRJVBXKG-RHSMWYFYSA-N 1 0 364.283 3.635 20 30 FHEDRO CC(C)(C)[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000328622439 946959459 /nfs/dbraw/zinc/95/94/59/946959459.db2.gz YETBTYPSAJRIGA-NEWSRXKRSA-N 1 0 365.562 3.881 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000328652432 946967115 /nfs/dbraw/zinc/96/71/15/946967115.db2.gz KMDZTLFHZWQUKP-HOTGVXAUSA-N 1 0 351.878 3.889 20 30 FHEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000475371990 946974470 /nfs/dbraw/zinc/97/44/70/946974470.db2.gz RCJFRKOHAZAYOR-QHCPKHFHSA-N 1 0 364.489 3.939 20 30 FHEDRO Cc1cc([C@H]2CCCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)[nH]n1 ZINC000328722007 946981534 /nfs/dbraw/zinc/98/15/34/946981534.db2.gz XFZQGWIOVLNYLV-KRWDZBQOSA-N 1 0 373.545 3.609 20 30 FHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C1 ZINC000328721221 946981788 /nfs/dbraw/zinc/98/17/88/946981788.db2.gz RAJRVDGGNLIXHI-RISCZKNCSA-N 1 0 372.296 3.662 20 30 FHEDRO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328723674 946983056 /nfs/dbraw/zinc/98/30/56/946983056.db2.gz APBIYIWCDMMSDD-XYJFISCASA-N 1 0 360.498 3.850 20 30 FHEDRO Cn1ncc2c1C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC2 ZINC000328677495 946984267 /nfs/dbraw/zinc/98/42/67/946984267.db2.gz SFTBJODJSAJWRL-OGWOLHLISA-N 1 0 372.538 3.626 20 30 FHEDRO CC[NH+]1CCC(NC(=O)NCc2ccc(OC3CCCCC3)cc2)CC1 ZINC000328701598 946995834 /nfs/dbraw/zinc/99/58/34/946995834.db2.gz WTUXPYLXIXLJSY-UHFFFAOYSA-N 1 0 359.514 3.886 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000328754956 947012243 /nfs/dbraw/zinc/01/22/43/947012243.db2.gz DXWZWUIWUIMCGW-UTKZUKDTSA-N 1 0 372.513 3.612 20 30 FHEDRO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508502465 947023686 /nfs/dbraw/zinc/02/36/86/947023686.db2.gz BAGUAZDXUMKBLK-IBGZPJMESA-N 1 0 367.541 3.862 20 30 FHEDRO CCC(=O)N1CCCC[C@@H]1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000328727713 947024169 /nfs/dbraw/zinc/02/41/69/947024169.db2.gz VFXVOFMZDVVLLB-GOSISDBHSA-N 1 0 363.546 3.780 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)N(C)C2CCCC2)CCOCC1)c1ccccc1 ZINC000328786055 947045958 /nfs/dbraw/zinc/04/59/58/947045958.db2.gz IZSFRFDICKXNKW-KRWDZBQOSA-N 1 0 359.514 3.675 20 30 FHEDRO CC(C)(C)c1ncc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000328790049 947048282 /nfs/dbraw/zinc/04/82/82/947048282.db2.gz YNVUJKIVXXGXQA-UHFFFAOYSA-N 1 0 359.518 3.755 20 30 FHEDRO C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)Oc1ccccc1Cl ZINC000262488737 947052135 /nfs/dbraw/zinc/05/21/35/947052135.db2.gz UCZWFEUILBERJT-BBRMVZONSA-N 1 0 359.857 3.535 20 30 FHEDRO C[C@@H](NC(=O)CN1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2ccccc2c1 ZINC000328803200 947052456 /nfs/dbraw/zinc/05/24/56/947052456.db2.gz LFXMOQYLLJVGCH-NIKGAXFTSA-N 1 0 351.450 3.908 20 30 FHEDRO C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(=O)cc1C)C2 ZINC001112527519 947052964 /nfs/dbraw/zinc/05/29/64/947052964.db2.gz JSDFBUWMLXLVKB-AVRDEDQJSA-N 1 0 371.525 3.674 20 30 FHEDRO O=C(CN1CCC[C@H]2C(=O)NC[C@H]21)N[C@@H](c1ccccc1)C1CCCC1 ZINC000328850617 947064573 /nfs/dbraw/zinc/06/45/73/947064573.db2.gz WMRHVSSXJBESJA-GGPKGHCWSA-N 1 0 355.482 3.925 20 30 FHEDRO C[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000328827551 947074878 /nfs/dbraw/zinc/07/48/78/947074878.db2.gz TXCCSPQZBPTCHU-MAUKXSAKSA-N 1 0 355.482 3.533 20 30 FHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC(=O)[C@H](C)C3)cc2)C[C@@H](C)O1 ZINC000328904692 947087929 /nfs/dbraw/zinc/08/79/29/947087929.db2.gz AHHCGLZWCIWUSD-WOCWXWTJSA-N 1 0 372.509 3.758 20 30 FHEDRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCCC[C@@H]1C ZINC000328939445 947093356 /nfs/dbraw/zinc/09/33/56/947093356.db2.gz KKUSZMHQPPZQJY-DOADOZAASA-N 1 0 371.525 3.501 20 30 FHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOCC13CCCC3)CCC2 ZINC000328921739 947108849 /nfs/dbraw/zinc/10/88/49/947108849.db2.gz MGAYBNAMAJSERL-UHFFFAOYSA-N 1 0 359.495 3.732 20 30 FHEDRO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000328974965 947130049 /nfs/dbraw/zinc/13/00/49/947130049.db2.gz PUBOBTCAQWEYBH-KPLVRAHFSA-N 1 0 374.525 3.824 20 30 FHEDRO CC1(C)CC(NC(=O)c2cn(CCCC#N)c3ccccc23)CC(C)(C)[NH2+]1 ZINC000444734182 947148056 /nfs/dbraw/zinc/14/80/56/947148056.db2.gz MHHKZUUZCLSGFW-UHFFFAOYSA-N 1 0 366.509 3.984 20 30 FHEDRO C[NH+](C)CC1(CNC(=O)Nc2ncc(C(F)(F)F)s2)CCCC1 ZINC000330439346 947184227 /nfs/dbraw/zinc/18/42/27/947184227.db2.gz ODQFYIFOUIJYRQ-UHFFFAOYSA-N 1 0 350.410 3.610 20 30 FHEDRO C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccc(C#N)cc1 ZINC000523380920 947203007 /nfs/dbraw/zinc/20/30/07/947203007.db2.gz WCRXVOAUWVQIKB-INIZCTEOSA-N 1 0 365.502 3.598 20 30 FHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000093771016 947212404 /nfs/dbraw/zinc/21/24/04/947212404.db2.gz ZXXNBEQYLSEQEM-MRXNPFEDSA-N 1 0 356.432 3.958 20 30 FHEDRO COc1ccc(C2([NH2+]Cc3ccc(C#N)c(F)c3)CCOCC2)cc1F ZINC000444810632 947224862 /nfs/dbraw/zinc/22/48/62/947224862.db2.gz DVJUKWLCDUEMGP-UHFFFAOYSA-N 1 0 358.388 3.641 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301190128 947225456 /nfs/dbraw/zinc/22/54/56/947225456.db2.gz VTLIQIUMTSGXAF-UHFFFAOYSA-N 1 0 354.248 3.810 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000330688791 947235152 /nfs/dbraw/zinc/23/51/52/947235152.db2.gz DLHDEORPOALWEY-INIZCTEOSA-N 1 0 374.529 3.615 20 30 FHEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@H](O)COc1ccccc1 ZINC000444815166 947248938 /nfs/dbraw/zinc/24/89/38/947248938.db2.gz UZBGQVYLXPBOOB-SFHVURJKSA-N 1 0 358.869 3.862 20 30 FHEDRO COc1cc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc(OC)c1C(C)C ZINC000330707878 947254352 /nfs/dbraw/zinc/25/43/52/947254352.db2.gz NCCJJAINLHJQNG-HNNXBMFYSA-N 1 0 363.502 3.646 20 30 FHEDRO COc1cc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc(OC)c1C(C)C ZINC000330707879 947255055 /nfs/dbraw/zinc/25/50/55/947255055.db2.gz NCCJJAINLHJQNG-OAHLLOKOSA-N 1 0 363.502 3.646 20 30 FHEDRO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC001271497258 947269846 /nfs/dbraw/zinc/26/98/46/947269846.db2.gz LVUDQUVEJDSBPN-JRGCBEDISA-N 1 0 353.510 3.921 20 30 FHEDRO N#Cc1cccc(C(=O)N2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)c1 ZINC001271497061 947270052 /nfs/dbraw/zinc/27/00/52/947270052.db2.gz CVKHMNNZKNRPFA-UHFFFAOYSA-N 1 0 351.494 3.819 20 30 FHEDRO CSc1nc(C(C)C)nc(C)c1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000330775213 947271718 /nfs/dbraw/zinc/27/17/18/947271718.db2.gz RYGFEQRHIAWTNY-UHFFFAOYSA-N 1 0 350.532 3.667 20 30 FHEDRO C=CCNC(=O)c1ccc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)nc1 ZINC000301323909 947285627 /nfs/dbraw/zinc/28/56/27/947285627.db2.gz WXEFSWDHNGJRET-KRWDZBQOSA-N 1 0 364.493 3.635 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)N(C)C)c2)C1 ZINC000330862552 947287800 /nfs/dbraw/zinc/28/78/00/947287800.db2.gz SSMNTRGLXNVZQY-INIZCTEOSA-N 1 0 374.529 3.999 20 30 FHEDRO CC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000330876552 947289856 /nfs/dbraw/zinc/28/98/56/947289856.db2.gz FVLBJOPRACAPDB-LBPRGKRZSA-N 1 0 366.893 3.506 20 30 FHEDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)s2)c2ccc(F)cc2C1 ZINC000184526638 947310864 /nfs/dbraw/zinc/31/08/64/947310864.db2.gz HHWUVMJADIIHII-KPZWWZAWSA-N 1 0 357.454 3.903 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(NC(C)=O)cc2Cl)C[C@@H]1C ZINC000331125989 947353024 /nfs/dbraw/zinc/35/30/24/947353024.db2.gz NSYPGLASTQOCDB-SWLSCSKDSA-N 1 0 366.893 3.649 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000440607545 947356597 /nfs/dbraw/zinc/35/65/97/947356597.db2.gz FECRWQSQHWBKJA-UYAOXDASSA-N 1 0 355.869 3.755 20 30 FHEDRO CCn1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(C(F)(F)F)n1 ZINC000331229810 947365737 /nfs/dbraw/zinc/36/57/37/947365737.db2.gz PNYUNPCUXQKRDY-LBPRGKRZSA-N 1 0 360.424 3.737 20 30 FHEDRO COc1cc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)ccc1C#N ZINC000440621734 947374011 /nfs/dbraw/zinc/37/40/11/947374011.db2.gz RMSYLGCVYDHZTJ-FGZHOGPDSA-N 1 0 368.452 3.569 20 30 FHEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(Br)s1 ZINC000331280265 947376151 /nfs/dbraw/zinc/37/61/51/947376151.db2.gz BKXPBFTYZYWGPE-NSHDSACASA-N 1 0 370.316 3.504 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000444968716 947377728 /nfs/dbraw/zinc/37/77/28/947377728.db2.gz SNTIYSGJVQORED-UHFFFAOYSA-N 1 0 368.525 3.600 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCCO2)ccc1C#N ZINC000440616912 947386949 /nfs/dbraw/zinc/38/69/49/947386949.db2.gz UCJZDLBPKAXERE-FQEVSTJZSA-N 1 0 366.461 3.723 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C(C)C)CC2)cc1 ZINC000441445025 947451456 /nfs/dbraw/zinc/45/14/56/947451456.db2.gz VFCJNIJCFSMGPZ-UHFFFAOYSA-N 1 0 357.498 3.700 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)CC1 ZINC000445090174 947503340 /nfs/dbraw/zinc/50/33/40/947503340.db2.gz JDDDGDSKIMFKRE-NRFANRHFSA-N 1 0 361.489 3.999 20 30 FHEDRO Cc1ncc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000567966374 947542644 /nfs/dbraw/zinc/54/26/44/947542644.db2.gz YCFRLSFPRVKDBI-UHFFFAOYSA-N 1 0 360.461 3.701 20 30 FHEDRO CC[C@@H](Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccc(C#N)cc1 ZINC000278860845 947640216 /nfs/dbraw/zinc/64/02/16/947640216.db2.gz WGODVVNMSJFKKF-RTWAWAEBSA-N 1 0 362.477 3.571 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291057 947712558 /nfs/dbraw/zinc/71/25/58/947712558.db2.gz NSUIFDBAYNTEOT-SFHVURJKSA-N 1 0 373.566 3.615 20 30 FHEDRO C=CC[C@H](C)NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000523938001 947743278 /nfs/dbraw/zinc/74/32/78/947743278.db2.gz QLMUXBAUCQEIEQ-IBGZPJMESA-N 1 0 357.542 3.985 20 30 FHEDRO Cc1n[nH]cc1CCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000125808465 947858872 /nfs/dbraw/zinc/85/88/72/947858872.db2.gz ZNCMALPUNRVJCS-UHFFFAOYSA-N 1 0 360.461 3.891 20 30 FHEDRO CC[NH+]1CCC(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000066955033 947884265 /nfs/dbraw/zinc/88/42/65/947884265.db2.gz MEKGBTNKLJAGDD-HNNXBMFYSA-N 1 0 360.527 3.934 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CCC[NH2+]1 ZINC000662530257 947898196 /nfs/dbraw/zinc/89/81/96/947898196.db2.gz NSYZSZMKHYRXBP-QGZVFWFLSA-N 1 0 364.371 3.528 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)CCC[NH2+]1 ZINC000662531523 947899159 /nfs/dbraw/zinc/89/91/59/947899159.db2.gz GQUSCPRIVICFSM-FOIQADDNSA-N 1 0 355.507 3.994 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CCC[NH2+]1 ZINC000662546337 947904372 /nfs/dbraw/zinc/90/43/72/947904372.db2.gz TYJCSUMMDTWWMO-LJQANCHMSA-N 1 0 355.463 3.637 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCC[NH2+]1 ZINC000662567158 947907502 /nfs/dbraw/zinc/90/75/02/947907502.db2.gz BUWJWQUJRBQYKR-AEFFLSMTSA-N 1 0 369.292 3.592 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)CCC[NH2+]1 ZINC000662690649 947987566 /nfs/dbraw/zinc/98/75/66/947987566.db2.gz DGYHKDSCSPKWBP-OAQYLSRUSA-N 1 0 350.466 3.523 20 30 FHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCN(c3ccccc3O)CC2)c1O ZINC000057085567 948053262 /nfs/dbraw/zinc/05/32/62/948053262.db2.gz IWBLTGZAXZTYKL-UHFFFAOYSA-N 1 0 368.477 3.547 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)ccc1OC ZINC000057961496 948102137 /nfs/dbraw/zinc/10/21/37/948102137.db2.gz ZTTGQPUEBQJCKB-UHFFFAOYSA-N 1 0 367.493 3.935 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000280820722 948198249 /nfs/dbraw/zinc/19/82/49/948198249.db2.gz NGXMIYQWSDCBGI-DOXZYTNZSA-N 1 0 350.890 3.936 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC1 ZINC000106747233 948242887 /nfs/dbraw/zinc/24/28/87/948242887.db2.gz RJQRBLVMUQQGIQ-LJQANCHMSA-N 1 0 367.424 3.560 20 30 FHEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000184707864 948244832 /nfs/dbraw/zinc/24/48/32/948244832.db2.gz ZTNMWNRNMYCPMK-VQIMIIECSA-N 1 0 365.481 3.631 20 30 FHEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H](C)COC ZINC000663583788 948253453 /nfs/dbraw/zinc/25/34/53/948253453.db2.gz ZRBTTXKPOPZCHE-MOPGFXCFSA-N 1 0 373.541 3.651 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)cc1OCCCC#N ZINC000064614014 948284019 /nfs/dbraw/zinc/28/40/19/948284019.db2.gz NZQMDPFDACXHTP-ZWKOTPCHSA-N 1 0 359.514 3.588 20 30 FHEDRO Cc1ccc([C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C2CCC2)o1 ZINC000585794451 948300393 /nfs/dbraw/zinc/30/03/93/948300393.db2.gz XHZVAGKUDOQPAO-NRFANRHFSA-N 1 0 350.466 3.955 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC000546311741 948332421 /nfs/dbraw/zinc/33/24/21/948332421.db2.gz OXAKJOWJOUZXKG-FQEVSTJZSA-N 1 0 350.466 3.825 20 30 FHEDRO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)c1 ZINC000574741808 948425737 /nfs/dbraw/zinc/42/57/37/948425737.db2.gz PJWJCCGHHMEBAE-NRFANRHFSA-N 1 0 361.445 3.703 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000520693784 948596546 /nfs/dbraw/zinc/59/65/46/948596546.db2.gz UEAHKUCLXWHROD-UHFFFAOYSA-N 1 0 361.917 3.711 20 30 FHEDRO C=CCOc1cccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512177591 948666120 /nfs/dbraw/zinc/66/61/20/948666120.db2.gz FPTUUBBRLGDWNF-OALUTQOASA-N 1 0 358.526 3.573 20 30 FHEDRO C=C(C)C[N@@H+](CCC(=O)Nc1ccccc1SC)Cc1ccc(CO)o1 ZINC000512180344 948697075 /nfs/dbraw/zinc/69/70/75/948697075.db2.gz NXMNRJCCDCMEHE-UHFFFAOYSA-N 1 0 374.506 3.901 20 30 FHEDRO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC001126325139 948725558 /nfs/dbraw/zinc/72/55/58/948725558.db2.gz KLXHMDFFMBDVDD-UHFFFAOYSA-N 1 0 374.488 3.873 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(C#N)cc2)c2cccs2)CC1 ZINC000015692119 220160589 /nfs/dbraw/zinc/16/05/89/220160589.db2.gz AAFMCHZWFMNVMN-GOSISDBHSA-N 1 0 353.491 3.823 20 30 FHEDRO C=C(C)C[N@@H+](CC)CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000016338913 220182922 /nfs/dbraw/zinc/18/29/22/220182922.db2.gz IMAGUNJMMHHKGD-NRFANRHFSA-N 1 0 360.498 3.559 20 30 FHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](C(F)(F)F)C1)CCC2 ZINC000022198639 220378916 /nfs/dbraw/zinc/37/89/16/220378916.db2.gz LETFFGGCOVXBPF-NSHDSACASA-N 1 0 371.428 3.711 20 30 FHEDRO N#Cc1cccnc1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000096993212 132305507 /nfs/dbraw/zinc/30/55/07/132305507.db2.gz NJXVBFAKNTWZKD-UHFFFAOYSA-N 1 0 352.441 3.845 20 30 FHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000061210553 136132467 /nfs/dbraw/zinc/13/24/67/136132467.db2.gz UPZYCEDYLJHALC-UHFFFAOYSA-N 1 0 368.440 3.583 20 30 FHEDRO CCN1CCC[C@@H](C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328632997 529049805 /nfs/dbraw/zinc/04/98/05/529049805.db2.gz LRWRZNFWYNOBAN-PIPMEXSNSA-N 1 0 365.525 3.758 20 30 FHEDRO CCOc1ccc(CC[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1OCC ZINC000602498771 567983696 /nfs/dbraw/zinc/98/36/96/567983696.db2.gz KSBHGEGVDRBXTC-QGZVFWFLSA-N 1 0 360.498 3.715 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000602526271 567987772 /nfs/dbraw/zinc/98/77/72/567987772.db2.gz GTXYCYHNMBXACL-MAUKXSAKSA-N 1 0 369.431 3.608 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000602528948 567988099 /nfs/dbraw/zinc/98/80/99/567988099.db2.gz RNSMXPYURQPGCI-QGZVFWFLSA-N 1 0 352.482 3.835 20 30 FHEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)c1cccc(OC)c1 ZINC000602503235 567988527 /nfs/dbraw/zinc/98/85/27/567988527.db2.gz PCVSYDZKHPSAGS-GHTZIAJQSA-N 1 0 373.541 3.767 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000602506978 567988775 /nfs/dbraw/zinc/98/87/75/567988775.db2.gz MGARZHNUFFTIHP-AWEZNQCLSA-N 1 0 356.388 3.816 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000602507021 567988817 /nfs/dbraw/zinc/98/88/17/567988817.db2.gz NHTGMMPIQXIKOZ-MRXNPFEDSA-N 1 0 367.449 3.720 20 30 FHEDRO COc1ccc([C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N2CCCC2)cc1 ZINC000602507460 567988858 /nfs/dbraw/zinc/98/88/58/567988858.db2.gz JMGMOVXZEMSHKR-WIYYLYMNSA-N 1 0 371.525 3.521 20 30 FHEDRO COc1cc(C[NH2+]C2CCC(C#N)CC2)cc(Br)c1OC ZINC000602544328 567989953 /nfs/dbraw/zinc/98/99/53/567989953.db2.gz PUEZKSQVNWANCT-UHFFFAOYSA-N 1 0 353.260 3.638 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000602562688 567991866 /nfs/dbraw/zinc/99/18/66/567991866.db2.gz XZWPUEZDYKDZME-MRXNPFEDSA-N 1 0 358.482 3.830 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000602578991 567993490 /nfs/dbraw/zinc/99/34/90/567993490.db2.gz QKFIAHUVTIDOHA-SRVKXCTJSA-N 1 0 374.432 3.939 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000602581579 567993782 /nfs/dbraw/zinc/99/37/82/567993782.db2.gz USEASPKQESMWOK-HZPDHXFCSA-N 1 0 354.454 3.529 20 30 FHEDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)CC2(C#N)CCOCC2)n(-c2ccccc2)n1 ZINC000602583865 567994126 /nfs/dbraw/zinc/99/41/26/567994126.db2.gz ZYOWEPCUIVPRQP-MJGOQNOKSA-N 1 0 366.509 3.800 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000602589357 567994725 /nfs/dbraw/zinc/99/47/25/567994725.db2.gz QIPYETCNKSDHIJ-OAHLLOKOSA-N 1 0 350.384 3.745 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000602568756 567995880 /nfs/dbraw/zinc/99/58/80/567995880.db2.gz LWJWXGFNUREXJP-YPMHNXCESA-N 1 0 360.811 3.862 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000602674948 568008778 /nfs/dbraw/zinc/00/87/78/568008778.db2.gz GQFMGJBCTLNOGO-MRXNPFEDSA-N 1 0 374.554 3.742 20 30 FHEDRO Cc1ccc(C[C@H](CO)C[NH2+]C2CCC(C#N)CC2)cc1Br ZINC000602684707 568010938 /nfs/dbraw/zinc/01/09/38/568010938.db2.gz RKNWREWWNXITJQ-WIHSUSGWSA-N 1 0 365.315 3.581 20 30 FHEDRO Cc1cc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)ccc1Br ZINC000602687706 568011415 /nfs/dbraw/zinc/01/14/15/568011415.db2.gz AAOXAEWGOVVGJH-CQSZACIVSA-N 1 0 351.288 3.946 20 30 FHEDRO CC(C)C[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000602693706 568015724 /nfs/dbraw/zinc/01/57/24/568015724.db2.gz IFRXGZQWDJKONS-IAGOWNOFSA-N 1 0 352.519 3.679 20 30 FHEDRO C[C@@H](OC[C@@H](O)C[NH2+]CC#Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000521427686 568018651 /nfs/dbraw/zinc/01/86/51/568018651.db2.gz ONBRWXLZGSMMEX-QRWLVFNGSA-N 1 0 361.844 3.559 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000602714020 568019689 /nfs/dbraw/zinc/01/96/89/568019689.db2.gz FJGYBTGHFBIFSH-FUHWJXTLSA-N 1 0 350.466 3.548 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000568418155 568032178 /nfs/dbraw/zinc/03/21/78/568032178.db2.gz KBKNHEZQPALJAD-GOSISDBHSA-N 1 0 356.857 3.945 20 30 FHEDRO C[NH+](C)Cc1ccnc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000603149192 568064725 /nfs/dbraw/zinc/06/47/25/568064725.db2.gz TXJCZRRCIWQFJQ-SFHVURJKSA-N 1 0 351.454 3.700 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000605988832 568067288 /nfs/dbraw/zinc/06/72/88/568067288.db2.gz QLGGWQIPFQCPRK-IBGZPJMESA-N 1 0 359.514 3.657 20 30 FHEDRO N#CC(CCn1cc(C2CC[NH2+]CC2)nn1)(c1ccccc1)c1ccccc1 ZINC000603176906 568068120 /nfs/dbraw/zinc/06/81/20/568068120.db2.gz CQIQMYRZQRCSMF-UHFFFAOYSA-N 1 0 371.488 3.645 20 30 FHEDRO N#Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1F ZINC000481621931 568068453 /nfs/dbraw/zinc/06/84/53/568068453.db2.gz GVTGYFMOQSKWLT-AWEZNQCLSA-N 1 0 372.469 3.793 20 30 FHEDRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481655004 568081606 /nfs/dbraw/zinc/08/16/06/568081606.db2.gz CLCMFFGMTOUUJI-NRFANRHFSA-N 1 0 368.502 3.660 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCc1nnc2n1CCCCC2 ZINC000481666765 568083774 /nfs/dbraw/zinc/08/37/74/568083774.db2.gz RLRXGAPMHLWWBU-FQEVSTJZSA-N 1 0 363.509 3.866 20 30 FHEDRO CC(C)(CNC(=O)Nc1ccc(F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000481712846 568090591 /nfs/dbraw/zinc/09/05/91/568090591.db2.gz OOHHNYUKRCYYKH-UHFFFAOYSA-N 1 0 366.440 3.656 20 30 FHEDRO COc1ccc([C@H](O)C2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000291255391 568092939 /nfs/dbraw/zinc/09/29/39/568092939.db2.gz MLXLMPKJEJWLEG-QFIPXVFZSA-N 1 0 366.461 3.521 20 30 FHEDRO CCC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603838576 568160704 /nfs/dbraw/zinc/16/07/04/568160704.db2.gz TVPVVPSYQUNNOU-OAQYLSRUSA-N 1 0 352.478 3.713 20 30 FHEDRO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000603853668 568167285 /nfs/dbraw/zinc/16/72/85/568167285.db2.gz KUVFGNMPISVYMM-SIKLNZKXSA-N 1 0 353.510 3.929 20 30 FHEDRO COC1([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)CCCCC1 ZINC000568747300 568176606 /nfs/dbraw/zinc/17/66/06/568176606.db2.gz RPVSIWMWYDSSCF-IPJUCJBFSA-N 1 0 357.498 3.971 20 30 FHEDRO COc1ccc([C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N(C)C)cc1OC ZINC000181918416 568196318 /nfs/dbraw/zinc/19/63/18/568196318.db2.gz ZLNDBWCPXKZFGM-BEFAXECRSA-N 1 0 353.466 3.529 20 30 FHEDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N(C)C)cc1OC ZINC000181918454 568196346 /nfs/dbraw/zinc/19/63/46/568196346.db2.gz ZLNDBWCPXKZFGM-DNVCBOLYSA-N 1 0 353.466 3.529 20 30 FHEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000291570722 568210327 /nfs/dbraw/zinc/21/03/27/568210327.db2.gz ZFIAEAMTHPTNQU-UHFFFAOYSA-N 1 0 364.449 3.724 20 30 FHEDRO Cc1cc(C#N)cc(NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000568853998 568234856 /nfs/dbraw/zinc/23/48/56/568234856.db2.gz QLMGWAKSFFTRDG-FXAWDEMLSA-N 1 0 366.440 3.521 20 30 FHEDRO CN1CCO[C@H]([C@H]([NH2+]Cc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000563125382 568256709 /nfs/dbraw/zinc/25/67/09/568256709.db2.gz OKPKEGRFSIWDJF-LEWJYISDSA-N 1 0 369.896 3.568 20 30 FHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000569000701 568266133 /nfs/dbraw/zinc/26/61/33/568266133.db2.gz MZLQGOUWMJYURA-NHYWBVRUSA-N 1 0 352.251 3.523 20 30 FHEDRO CCCc1nc(C)c(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000291718250 568268524 /nfs/dbraw/zinc/26/85/24/568268524.db2.gz MESHKOVTMUFTSU-UHFFFAOYSA-N 1 0 352.482 3.561 20 30 FHEDRO N#Cc1ccc(C[NH2+]CCOc2ccc(Cl)cn2)c(C(F)(F)F)c1 ZINC000569100890 568275575 /nfs/dbraw/zinc/27/55/75/568275575.db2.gz NWJXAVJMTLWRQY-UHFFFAOYSA-N 1 0 355.747 3.794 20 30 FHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000569040058 568278225 /nfs/dbraw/zinc/27/82/25/568278225.db2.gz SKRIQAAPTVOYAV-UHFFFAOYSA-N 1 0 368.456 3.726 20 30 FHEDRO C=CCN(CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1cccc(C#N)c1 ZINC000604487257 568298401 /nfs/dbraw/zinc/29/84/01/568298401.db2.gz QMEPLHGHEUCUOC-HSZRJFAPSA-N 1 0 359.473 3.814 20 30 FHEDRO CCC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604503394 568302130 /nfs/dbraw/zinc/30/21/30/568302130.db2.gz JROSYKZTWCNUOS-IBGZPJMESA-N 1 0 356.441 3.544 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC#Cc2ccccc2)CC1 ZINC000604785691 568366511 /nfs/dbraw/zinc/36/65/11/568366511.db2.gz VHBZIHRURMUFNG-IBGZPJMESA-N 1 0 361.489 3.563 20 30 FHEDRO CC(=O)Nc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000181993409 568371386 /nfs/dbraw/zinc/37/13/86/568371386.db2.gz GAQUQLJPLIOYBR-UHFFFAOYSA-N 1 0 366.440 3.732 20 30 FHEDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000569648982 568411455 /nfs/dbraw/zinc/41/14/55/568411455.db2.gz IFNKIJVDLHKJEH-GOSISDBHSA-N 1 0 352.434 3.619 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)F)cc1 ZINC000569648631 568411511 /nfs/dbraw/zinc/41/15/11/568411511.db2.gz BEQDOVVJOXDGTQ-UHFFFAOYSA-N 1 0 373.447 3.766 20 30 FHEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1cccs1 ZINC000365452070 568716469 /nfs/dbraw/zinc/71/64/69/568716469.db2.gz CFIIXZFEPAKIFD-PXAZEXFGSA-N 1 0 358.442 3.573 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000050108092 568726962 /nfs/dbraw/zinc/72/69/62/568726962.db2.gz IETPPUZACILTEV-IBGZPJMESA-N 1 0 364.449 3.525 20 30 FHEDRO N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000328605422 571323901 /nfs/dbraw/zinc/32/39/01/571323901.db2.gz NLSASOAZOBOUBS-DYESRHJHSA-N 1 0 366.440 3.587 20 30 FHEDRO Cc1cc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)c[nH]c1=O ZINC000328608106 571324076 /nfs/dbraw/zinc/32/40/76/571324076.db2.gz XZAGAWWXHCMTOH-DYESRHJHSA-N 1 0 351.450 3.986 20 30 FHEDRO C=CC[N@H+](CCOC1CCCCCC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418719 598983026 /nfs/dbraw/zinc/98/30/26/598983026.db2.gz HNXLPAGSDFDVKV-UHFFFAOYSA-N 1 0 355.486 3.594 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000735435950 598465152 /nfs/dbraw/zinc/46/51/52/598465152.db2.gz BWJDBTAKTWWKFP-CYBMUJFWSA-N 1 0 369.856 3.936 20 30 FHEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555189 608463615 /nfs/dbraw/zinc/46/36/15/608463615.db2.gz VHIYHBNOGXRPFG-ZDUSSCGKSA-N 1 0 371.366 3.588 20 30 FHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000823931612 608510167 /nfs/dbraw/zinc/51/01/67/608510167.db2.gz BGHSECSKBFSQNT-LJQANCHMSA-N 1 0 361.449 3.599 20 30 FHEDRO C=CC[N@@H+](C/C=C/c1ccccc1OC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903964 608631139 /nfs/dbraw/zinc/63/11/39/608631139.db2.gz PFSRLPGQLZJAAS-YRNVUSSQSA-N 1 0 361.449 3.577 20 30 FHEDRO N#Cc1ccc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)nc1Cl ZINC001164418474 718891558 /nfs/dbraw/zinc/89/15/58/718891558.db2.gz OHEPAKIEYXBDDN-AWEZNQCLSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@H]43)cnc2Cl)cc1 ZINC001164448364 719003552 /nfs/dbraw/zinc/00/35/52/719003552.db2.gz HQHOJAHJICAFAS-IAGOWNOFSA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1ccc2ncnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164625065 719063853 /nfs/dbraw/zinc/06/38/53/719063853.db2.gz MPUQMJSJHQKYKQ-KNQAVFIVSA-N 1 0 369.472 3.602 20 30 FHEDRO N#Cc1ccc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164625074 719064579 /nfs/dbraw/zinc/06/45/79/719064579.db2.gz MPUQMJSJHQKYKQ-UGKGYDQZSA-N 1 0 369.472 3.602 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC001164630164 719097868 /nfs/dbraw/zinc/09/78/68/719097868.db2.gz VSOUFTUUTPWOSC-SIKLNZKXSA-N 1 0 358.489 3.543 20 30 FHEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc2cc(F)c(F)cc2c(Cl)c1C#N ZINC001164636340 719258946 /nfs/dbraw/zinc/25/89/46/719258946.db2.gz SDWIHSOHEQSVAC-UWVGGRQHSA-N 1 0 350.800 3.567 20 30 FHEDRO CC(C)C[NH+]1CCN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC1 ZINC001164657358 719340155 /nfs/dbraw/zinc/34/01/55/719340155.db2.gz JDBYURMBBHJPJE-UHFFFAOYSA-N 1 0 371.872 3.572 20 30 FHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[NH+](C2CCCC2)CC1 ZINC001165033141 721862451 /nfs/dbraw/zinc/86/24/51/721862451.db2.gz DLSRKLFJVODATR-UHFFFAOYSA-N 1 0 358.848 3.964 20 30 FHEDRO C[NH+](C)CC1CCN(c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001165043030 721951335 /nfs/dbraw/zinc/95/13/35/721951335.db2.gz YXHHYPIWSQSGRG-UHFFFAOYSA-N 1 0 371.872 3.572 20 30 FHEDRO C[NH+](C)[C@@H](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000431511960 936330805 /nfs/dbraw/zinc/33/08/05/936330805.db2.gz CTBWSCJLMLDMIQ-IBGZPJMESA-N 1 0 374.406 3.866 20 30 FHEDRO N#Cc1ccsc1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000052050588 936366796 /nfs/dbraw/zinc/36/67/96/936366796.db2.gz LEPYWCIICNQFOS-UHFFFAOYSA-N 1 0 353.491 3.926 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cnc(C4CCCC4)s3)CC2)nc1 ZINC000136028385 937096680 /nfs/dbraw/zinc/09/66/80/937096680.db2.gz SROKDDCWPCCYPA-UHFFFAOYSA-N 1 0 367.522 3.826 20 30 FHEDRO COC(=O)[C@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)c1cccc(C#N)c1 ZINC000091552972 937138347 /nfs/dbraw/zinc/13/83/47/937138347.db2.gz NHZAHKLAYRMLAP-OAQYLSRUSA-N 1 0 363.461 3.521 20 30 FHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)nc1 ZINC000430175582 927532079 /nfs/dbraw/zinc/53/20/79/927532079.db2.gz CUKYXMRRMZIXNU-NRFANRHFSA-N 1 0 363.461 3.928 20 30 FHEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000577786344 927533703 /nfs/dbraw/zinc/53/37/03/927533703.db2.gz XCHRPTVBVVXDJM-ZDUSSCGKSA-N 1 0 361.367 3.544 20 30 FHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)nc1 ZINC000430185820 927665634 /nfs/dbraw/zinc/66/56/34/927665634.db2.gz KIUIPQPZBUSMPH-HXUWFJFHSA-N 1 0 356.429 3.669 20 30 FHEDRO Cc1cccc2nc(Cl)c(C#N)c(-n3ccnc3[C@H]3CCC[NH2+]C3)c12 ZINC001167059667 927755814 /nfs/dbraw/zinc/75/58/14/927755814.db2.gz HCRGSKWPCQHILE-ZDUSSCGKSA-N 1 0 351.841 3.721 20 30 FHEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000187694429 927919614 /nfs/dbraw/zinc/91/96/14/927919614.db2.gz KWEMGRPRIIFEAB-KRWDZBQOSA-N 1 0 350.528 3.966 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728196280 928055237 /nfs/dbraw/zinc/05/52/37/928055237.db2.gz NYWQAKGPSKIMFQ-LJQANCHMSA-N 1 0 368.452 3.796 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc(CCC)cc1 ZINC000274761221 928088912 /nfs/dbraw/zinc/08/89/12/928088912.db2.gz JVABFIPRKKHURX-UHFFFAOYSA-O 1 0 372.514 3.636 20 30 FHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC3(CC[NH2+]CC3)c3ccccc32)c1 ZINC001167068563 928146567 /nfs/dbraw/zinc/14/65/67/928146567.db2.gz BFVPTAKNRIEUOF-UHFFFAOYSA-N 1 0 374.822 3.797 20 30 FHEDRO CN1C(=O)CCc2cc(C[NH2+]CC#Cc3ccc(C(F)(F)F)cc3)ccc21 ZINC000187279375 928210269 /nfs/dbraw/zinc/21/02/69/928210269.db2.gz YKHOAIFGLKOGQL-UHFFFAOYSA-N 1 0 372.390 3.756 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)ccc1OC ZINC000466899006 928215436 /nfs/dbraw/zinc/21/54/36/928215436.db2.gz FJBRFYQVCIFDCL-HXUWFJFHSA-N 1 0 355.478 3.652 20 30 FHEDRO C=CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000109105044 928346196 /nfs/dbraw/zinc/34/61/96/928346196.db2.gz CYAHWTDOZARITG-UHFFFAOYSA-N 1 0 353.422 3.920 20 30 FHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C\c1ccccc1C#N ZINC000254997760 928767382 /nfs/dbraw/zinc/76/73/82/928767382.db2.gz BIFYRWIJIZGEBE-ZCPJJFRWSA-N 1 0 359.473 3.552 20 30 FHEDRO N#Cc1ccc(CCC[N@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)cc1 ZINC001208863122 928806502 /nfs/dbraw/zinc/80/65/02/928806502.db2.gz XKZHIKLKRZYUAF-FGZHOGPDSA-N 1 0 361.489 3.614 20 30 FHEDRO CN(C(=[NH2+])NCC(C)(C)Sc1ccc(Br)cc1)C1CC1 ZINC000262263865 937283948 /nfs/dbraw/zinc/28/39/48/937283948.db2.gz RQZKSNQKMBTJJU-UHFFFAOYSA-N 1 0 356.333 3.729 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)cc1 ZINC000187177611 928953874 /nfs/dbraw/zinc/95/38/74/928953874.db2.gz BTQHERXICNZCIA-LJQANCHMSA-N 1 0 363.461 3.526 20 30 FHEDRO N#Cc1ccc(-c2ccncc2)nc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167089439 929031277 /nfs/dbraw/zinc/03/12/77/929031277.db2.gz UZFUYOWNYUGWAI-UHFFFAOYSA-N 1 0 369.403 3.744 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)cc1 ZINC000275026922 929240842 /nfs/dbraw/zinc/24/08/42/929240842.db2.gz ALNCOCHBFBOOFC-UHFFFAOYSA-N 1 0 367.884 3.866 20 30 FHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134797963 929278609 /nfs/dbraw/zinc/27/86/09/929278609.db2.gz BNACJJMIUGDWBQ-CTNGQTDRSA-N 1 0 354.425 3.664 20 30 FHEDRO C=CCSCC[NH2+][C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000180216906 929421453 /nfs/dbraw/zinc/42/14/53/929421453.db2.gz BCEPHKJDUYDHEP-LJQANCHMSA-N 1 0 356.491 3.884 20 30 FHEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2sccc2C#N)CC1 ZINC000471236328 929450332 /nfs/dbraw/zinc/45/03/32/929450332.db2.gz QCTZXUJVMZMRDW-UHFFFAOYSA-N 1 0 368.506 3.650 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](CC)c1c(C)noc1C ZINC000155796852 937345290 /nfs/dbraw/zinc/34/52/90/937345290.db2.gz MAYBIHKKCNKINQ-WMLDXEAASA-N 1 0 361.511 3.997 20 30 FHEDRO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1C#N ZINC000134956630 929635720 /nfs/dbraw/zinc/63/57/20/929635720.db2.gz HRSYOYIAIKWHOV-GOSISDBHSA-N 1 0 352.434 3.921 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000547975869 929676748 /nfs/dbraw/zinc/67/67/48/929676748.db2.gz CCIVEGDESOBNLB-UHFFFAOYSA-N 1 0 355.869 3.983 20 30 FHEDRO CCc1ccc([C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000023674549 929692425 /nfs/dbraw/zinc/69/24/25/929692425.db2.gz NEHHWVAMLLLYOJ-IFMALSPDSA-N 1 0 352.478 3.847 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1C#N ZINC000134969239 929700005 /nfs/dbraw/zinc/70/00/05/929700005.db2.gz FZHQYEGLVQKLIC-GOSISDBHSA-N 1 0 350.418 3.675 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000560474405 929843964 /nfs/dbraw/zinc/84/39/64/929843964.db2.gz PTVCERFVHNUQEL-UHFFFAOYSA-N 1 0 353.491 3.828 20 30 FHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000609231925 929851933 /nfs/dbraw/zinc/85/19/33/929851933.db2.gz QNSKJYAWRNFZHP-UHFFFAOYSA-N 1 0 353.441 3.859 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000275692872 929925063 /nfs/dbraw/zinc/92/50/63/929925063.db2.gz POHPRTIGULIFMW-MRXNPFEDSA-N 1 0 358.445 3.842 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)ccc1OC ZINC000123262728 929955560 /nfs/dbraw/zinc/95/55/60/929955560.db2.gz FCSBWWOQWORJMK-PXNSSMCTSA-N 1 0 355.478 3.732 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610343799 930043841 /nfs/dbraw/zinc/04/38/41/930043841.db2.gz SMTAHAGMSYINEU-VXGBXAGGSA-N 1 0 372.812 3.798 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610343490 930044402 /nfs/dbraw/zinc/04/44/02/930044402.db2.gz JIYUJIVKDVZZQU-HOTGVXAUSA-N 1 0 353.491 3.874 20 30 FHEDRO CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000610347589 930059275 /nfs/dbraw/zinc/05/92/75/930059275.db2.gz RFQNSWJLLJUGHT-PXNSSMCTSA-N 1 0 356.514 3.675 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610348454 930062972 /nfs/dbraw/zinc/06/29/72/930062972.db2.gz KUURBTOQKBMXDP-QGZVFWFLSA-N 1 0 364.493 3.959 20 30 FHEDRO c1ccc(NC(=[NH+]CCc2nnc3n2CCCCC3)N2CCCCC2)cc1 ZINC000262280438 937379489 /nfs/dbraw/zinc/37/94/89/937379489.db2.gz LPOOXBZTKSXKRB-UHFFFAOYSA-N 1 0 366.513 3.501 20 30 FHEDRO CN(c1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000255153899 930068487 /nfs/dbraw/zinc/06/84/87/930068487.db2.gz IGHKHWSAAFAIOX-GHXNOFRVSA-N 1 0 374.488 3.741 20 30 FHEDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610351636 930089162 /nfs/dbraw/zinc/08/91/62/930089162.db2.gz BRHLTNIGYARQLT-DYESRHJHSA-N 1 0 362.477 3.583 20 30 FHEDRO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000177699543 930172214 /nfs/dbraw/zinc/17/22/14/930172214.db2.gz JIMJVHLZXVOREA-CYBMUJFWSA-N 1 0 362.296 3.751 20 30 FHEDRO CN(Cc1cc2ccccc2o1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083216977 930176734 /nfs/dbraw/zinc/17/67/34/930176734.db2.gz KDUFUXZEFWLTAF-MRXNPFEDSA-N 1 0 351.431 3.603 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000525640240 937395551 /nfs/dbraw/zinc/39/55/51/937395551.db2.gz WIBMKHFXZZGHRZ-RBBKRZOGSA-N 1 0 351.490 3.719 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000560984026 930265193 /nfs/dbraw/zinc/26/51/93/930265193.db2.gz LKTLRYDBGBASDL-GOSISDBHSA-N 1 0 362.433 3.709 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 ZINC000050027894 930357411 /nfs/dbraw/zinc/35/74/11/930357411.db2.gz SVLGTSKSVKJJKT-UHFFFAOYSA-N 1 0 373.909 3.671 20 30 FHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(C#N)CCCCC3)cc2)C1 ZINC000610398952 930357560 /nfs/dbraw/zinc/35/75/60/930357560.db2.gz AMMVJRQCHFGPEU-QGZVFWFLSA-N 1 0 355.482 3.820 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000536012724 937410182 /nfs/dbraw/zinc/41/01/82/937410182.db2.gz LVRMORRPXCOPLT-QGZVFWFLSA-N 1 0 356.857 3.506 20 30 FHEDRO Cc1csc(-c2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)n1 ZINC000328718417 930572254 /nfs/dbraw/zinc/57/22/54/930572254.db2.gz UZDVIKVSVQHOLE-IAGOWNOFSA-N 1 0 356.495 3.880 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000247260059 930589779 /nfs/dbraw/zinc/58/97/79/930589779.db2.gz XOSCERZVCQWOEL-RXVVDRJESA-N 1 0 350.462 3.811 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000074918360 930598588 /nfs/dbraw/zinc/59/85/88/930598588.db2.gz WTENKBSRGGXPAU-UWJYYQICSA-N 1 0 362.477 3.535 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000119096801 930661473 /nfs/dbraw/zinc/66/14/73/930661473.db2.gz WTBVQYZJRSHTOE-LJQANCHMSA-N 1 0 357.461 3.729 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(C#N)s3)C2)c1 ZINC000135057532 930748013 /nfs/dbraw/zinc/74/80/13/930748013.db2.gz FGVMSFGFWHTHKD-UONOGXRCSA-N 1 0 357.479 3.566 20 30 FHEDRO Cc1cccc(N2CC[NH+](CCCCNc3cc(C)nc(C#N)c3)CC2)c1 ZINC000561140804 930813326 /nfs/dbraw/zinc/81/33/26/930813326.db2.gz INWDAUOODREJMK-UHFFFAOYSA-N 1 0 363.509 3.584 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(OC)cc1 ZINC000580535722 930822773 /nfs/dbraw/zinc/82/27/73/930822773.db2.gz VGMXCCMIYZCZCR-UHFFFAOYSA-N 1 0 372.538 3.793 20 30 FHEDRO N#CCc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000580625911 930939469 /nfs/dbraw/zinc/93/94/69/930939469.db2.gz ISTPLJCMFMOENN-GOSISDBHSA-N 1 0 369.415 3.849 20 30 FHEDRO Cc1c(C#N)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc2ccccc12 ZINC001167427096 930950636 /nfs/dbraw/zinc/95/06/36/930950636.db2.gz XKNDJLHDXDXCAO-UHFFFAOYSA-N 1 0 371.488 3.779 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)CC2 ZINC000579768137 930980021 /nfs/dbraw/zinc/98/00/21/930980021.db2.gz FKVVFKVSSIMUIX-GOSISDBHSA-N 1 0 351.416 3.800 20 30 FHEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000471611048 931041528 /nfs/dbraw/zinc/04/15/28/931041528.db2.gz ISBYFVFTPUJLOT-INIZCTEOSA-N 1 0 362.495 3.765 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(S(=O)(=O)CC)cc2)c(O)c1 ZINC000588388382 931136417 /nfs/dbraw/zinc/13/64/17/931136417.db2.gz VVBPNZBQBDPBCV-QNGOZBTKSA-N 1 0 374.506 3.651 20 30 FHEDRO C[C@@H](NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000610461687 931149692 /nfs/dbraw/zinc/14/96/92/931149692.db2.gz CSXTYIRFOBNBKN-QZTJIDSGSA-N 1 0 364.493 3.829 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000068883342 931169535 /nfs/dbraw/zinc/16/95/35/931169535.db2.gz VRHXFNBVSUITJQ-OAQYLSRUSA-N 1 0 362.477 3.559 20 30 FHEDRO C=C(C)[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(F)c(F)c1 ZINC000580822182 931202313 /nfs/dbraw/zinc/20/23/13/931202313.db2.gz KXJNJILBNWJQKT-LIRRHRJNSA-N 1 0 372.419 3.615 20 30 FHEDRO C=C(C)[C@@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(F)c(F)c1 ZINC000580822180 931202452 /nfs/dbraw/zinc/20/24/52/931202452.db2.gz KXJNJILBNWJQKT-IFXJQAMLSA-N 1 0 372.419 3.615 20 30 FHEDRO COCc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000160655553 931247531 /nfs/dbraw/zinc/24/75/31/931247531.db2.gz LHARNWUOZGEARW-UHFFFAOYSA-N 1 0 353.344 3.658 20 30 FHEDRO CC[N@H+](CCC1CC[NH+](Cc2ccc(C#N)cc2OC)CC1)CC1CC1 ZINC000537849189 931337228 /nfs/dbraw/zinc/33/72/28/931337228.db2.gz GZYGAWNCDRJWDF-UHFFFAOYSA-N 1 0 355.526 3.901 20 30 FHEDRO COc1cccc(C2(c3nc(-c4ccc(C#N)c(C)c4)no3)CC[NH2+]CC2)c1 ZINC001211505081 931370955 /nfs/dbraw/zinc/37/09/55/931370955.db2.gz GVAAMUJRWCQLPL-UHFFFAOYSA-N 1 0 374.444 3.595 20 30 FHEDRO C=CCn1ncc2ccc(NC(=O)N(C)[C@@H]3CC[N@@H+](CC)[C@@H](C)C3)cc21 ZINC000933072967 931464364 /nfs/dbraw/zinc/46/43/64/931464364.db2.gz NKJBSWIUFHRLRQ-MAUKXSAKSA-N 1 0 355.486 3.559 20 30 FHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(-c3ccccn3)c2)c1 ZINC000160789636 931627278 /nfs/dbraw/zinc/62/72/78/931627278.db2.gz OQZMAUKZDVUFOI-UHFFFAOYSA-N 1 0 362.433 3.693 20 30 FHEDRO CC(C)(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000156880868 931668706 /nfs/dbraw/zinc/66/87/06/931668706.db2.gz FJBJWRQVBGGXJD-LJQANCHMSA-N 1 0 356.491 3.709 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000581249102 931738150 /nfs/dbraw/zinc/73/81/50/931738150.db2.gz WCYAJCVITGCROC-SFHVURJKSA-N 1 0 362.905 3.668 20 30 FHEDRO CCCCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C1(C)C ZINC000477062340 931788745 /nfs/dbraw/zinc/78/87/45/931788745.db2.gz XHBSFMIGKXGXRH-HOTGVXAUSA-N 1 0 363.527 3.864 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000126416863 931812663 /nfs/dbraw/zinc/81/26/63/931812663.db2.gz NHSYYLKBICYNKL-IAGOWNOFSA-N 1 0 362.477 3.836 20 30 FHEDRO C=CC[S@@](=O)(=NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000891379162 931965999 /nfs/dbraw/zinc/96/59/99/931965999.db2.gz BLSJNYHBZYDXGL-VWLOTQADSA-N 1 0 356.491 3.644 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccccc1OC ZINC000684255178 932043963 /nfs/dbraw/zinc/04/39/63/932043963.db2.gz MQWFBYLJCAOWJF-UHFFFAOYSA-N 1 0 372.538 3.793 20 30 FHEDRO Cc1cc(C)n([C@@H](C)CC(=O)NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000328795078 932116503 /nfs/dbraw/zinc/11/65/03/932116503.db2.gz SYFRHDKJBLJRQE-KRWDZBQOSA-N 1 0 364.559 3.769 20 30 FHEDRO Cc1cc(NC(=O)c2cc(C#N)cs2)ccc1OCC[NH+]1CCCC1 ZINC000084189813 932232865 /nfs/dbraw/zinc/23/28/65/932232865.db2.gz YTWGXQLEWWQMHJ-UHFFFAOYSA-N 1 0 355.463 3.655 20 30 FHEDRO CC[NH+]1CCN(c2ccc(N=Cc3cccc(OC)c3O)c(C)c2)CC1 ZINC000255324569 932266571 /nfs/dbraw/zinc/26/65/71/932266571.db2.gz WQJZVKWMUDGXEC-UHFFFAOYSA-N 1 0 353.466 3.602 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@H](O)c2ccc(Cl)c(F)c2)cc1Cl ZINC000134546248 932310218 /nfs/dbraw/zinc/31/02/18/932310218.db2.gz IZELKDAHLVLJKS-AWEZNQCLSA-N 1 0 372.227 3.601 20 30 FHEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000156311517 932355672 /nfs/dbraw/zinc/35/56/72/932355672.db2.gz UPTGJSZJTCFFRV-SFTDATJTSA-N 1 0 370.880 3.691 20 30 FHEDRO COc1ccc([C@H]([NH2+]CCOc2ccc(C#N)cc2OC)C2CC2)cc1 ZINC000157379241 932399450 /nfs/dbraw/zinc/39/94/50/932399450.db2.gz MUOIWWYCWVIIOQ-OAQYLSRUSA-N 1 0 352.434 3.695 20 30 FHEDRO COc1cccc([C@H](C/N=C\c2cccc(OC)c2O)[NH+]2CCCC2)c1 ZINC000255354802 932448054 /nfs/dbraw/zinc/44/80/54/932448054.db2.gz NNGYQPYHKBKHQU-MAGMUUGSSA-N 1 0 354.450 3.665 20 30 FHEDRO C[NH+]1CCN(c2ccc(N=Cc3cc(Br)ccc3O)cc2)CC1 ZINC000255363607 932503016 /nfs/dbraw/zinc/50/30/16/932503016.db2.gz AVQIUXFZLSIQGN-UHFFFAOYSA-N 1 0 374.282 3.657 20 30 FHEDRO O=C(c1ccc(Cl)cc1)C(C(=S)NCC(F)(F)F)[n+]1ccccc1 ZINC000101535036 932766973 /nfs/dbraw/zinc/76/69/73/932766973.db2.gz WFWAKVGLGFMBKW-UHFFFAOYSA-O 1 0 373.807 3.718 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000891631534 932892174 /nfs/dbraw/zinc/89/21/74/932892174.db2.gz QIKQZKZZMFDPPQ-UHFFFAOYSA-N 1 0 368.506 3.557 20 30 FHEDRO Cc1cccc(OC[C@H](O)C[N@H+](Cc2ccc(C#N)cc2C)C(C)C)c1 ZINC001167488158 932894561 /nfs/dbraw/zinc/89/45/61/932894561.db2.gz WSCDZOLPBMGXBB-OAQYLSRUSA-N 1 0 352.478 3.825 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)CC1 ZINC000471807757 932989667 /nfs/dbraw/zinc/98/96/67/932989667.db2.gz CURKCXULYZKUNR-LJQANCHMSA-N 1 0 355.526 3.843 20 30 FHEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000328856879 933023084 /nfs/dbraw/zinc/02/30/84/933023084.db2.gz XMZDKTYUAZCRBK-VXNCWWDNSA-N 1 0 363.546 3.776 20 30 FHEDRO CO[C@H]1C[C@@H](C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)N(C)C1 ZINC000328931669 933207860 /nfs/dbraw/zinc/20/78/60/933207860.db2.gz IAHSBRWGQAZYMR-ROUUACIJSA-N 1 0 359.470 3.640 20 30 FHEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000477742122 933283683 /nfs/dbraw/zinc/28/36/83/933283683.db2.gz KKOIDDPEUBOPMX-IBGZPJMESA-N 1 0 363.461 3.678 20 30 FHEDRO N#Cc1ccccc1OCC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430927524 933415524 /nfs/dbraw/zinc/41/55/24/933415524.db2.gz REUZCWMCIAAMDL-NRFANRHFSA-N 1 0 350.462 3.661 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH2+]Cc2ccccc21 ZINC000430947181 933463445 /nfs/dbraw/zinc/46/34/45/933463445.db2.gz ZQOMQXJFRKQIQE-UHFFFAOYSA-N 1 0 353.491 3.513 20 30 FHEDRO COc1ccccc1C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)C(C)C ZINC000178398500 933870712 /nfs/dbraw/zinc/87/07/12/933870712.db2.gz LWSJSEQXGNZOJR-OXQOHEQNSA-N 1 0 365.477 3.751 20 30 FHEDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000891918231 934033381 /nfs/dbraw/zinc/03/33/81/934033381.db2.gz UZFCNIDJVQBJGK-GHTZIAJQSA-N 1 0 356.514 3.828 20 30 FHEDRO COc1ccc(O)c(/C=N/C[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000022769447 934355681 /nfs/dbraw/zinc/35/56/81/934355681.db2.gz UWBZDHNKMKEKGI-KWJZBXMYSA-N 1 0 354.450 3.665 20 30 FHEDRO Cc1cc(NC(=O)[C@H](C#N)CCc2ccccc2)ccc1OCC[NH+](C)C ZINC000458222045 934393884 /nfs/dbraw/zinc/39/38/84/934393884.db2.gz VBRNWXSZTLGQNQ-IBGZPJMESA-N 1 0 365.477 3.647 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000610813579 934473070 /nfs/dbraw/zinc/47/30/70/934473070.db2.gz LGMUZXRFIDBGNO-CHWSQXEVSA-N 1 0 356.297 3.727 20 30 FHEDRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610813581 934474219 /nfs/dbraw/zinc/47/42/19/934474219.db2.gz LGMUZXRFIDBGNO-QWHCGFSZSA-N 1 0 356.297 3.727 20 30 FHEDRO N#CCN1CCC([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000610813510 934477306 /nfs/dbraw/zinc/47/73/06/934477306.db2.gz JHUKJHSVLGUDBC-HNNXBMFYSA-N 1 0 354.281 3.785 20 30 FHEDRO Cc1noc(C[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)c2ccccc2)n1 ZINC000277115989 934495119 /nfs/dbraw/zinc/49/51/19/934495119.db2.gz NDIQLJRQWWHWAN-QRWLVFNGSA-N 1 0 362.433 3.915 20 30 FHEDRO C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413421431 934597465 /nfs/dbraw/zinc/59/74/65/934597465.db2.gz WZAKMIUAWIYSQK-RSUWNVLCSA-N 1 0 353.388 3.648 20 30 FHEDRO C[NH+](C)[C@H](C/N=C\c1ccc(O)c(O)c1O)c1cccc(C(F)(F)F)c1 ZINC000588480340 934641408 /nfs/dbraw/zinc/64/14/08/934641408.db2.gz LTDOMIGXMKRXMC-JKSPXGIVSA-N 1 0 368.355 3.544 20 30 FHEDRO C=C(C)[C@H](CC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1)OCC ZINC000535879223 934686866 /nfs/dbraw/zinc/68/68/66/934686866.db2.gz CVGKGYTUWCCURC-CTNGQTDRSA-N 1 0 374.525 3.710 20 30 FHEDRO C=C(C)[C@@H](CC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1)OCC ZINC000535879232 934687064 /nfs/dbraw/zinc/68/70/64/934687064.db2.gz CVGKGYTUWCCURC-TZIWHRDSSA-N 1 0 374.525 3.710 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000610988018 934700502 /nfs/dbraw/zinc/70/05/02/934700502.db2.gz FADXXMCOJZQTNR-IBGZPJMESA-N 1 0 370.880 3.815 20 30 FHEDRO CC(C)(C#N)CCC[NH2+]C(C)(C)COc1ncccc1Br ZINC000181514660 934725990 /nfs/dbraw/zinc/72/59/90/934725990.db2.gz KRFHDXCQRJLVNT-UHFFFAOYSA-N 1 0 354.292 3.921 20 30 FHEDRO N#Cc1cc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)ccn1 ZINC000610993514 934730171 /nfs/dbraw/zinc/73/01/71/934730171.db2.gz SUIBXZPSFUWGON-UHFFFAOYSA-N 1 0 372.266 3.511 20 30 FHEDRO C[N@H+](Cc1ccnc(C#N)c1)CC1(c2ccc(Br)cc2)CC1 ZINC000610993291 934737876 /nfs/dbraw/zinc/73/78/76/934737876.db2.gz LLIMKYSQZLTLHX-UHFFFAOYSA-N 1 0 356.267 3.879 20 30 FHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2ccnc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000610993131 934738115 /nfs/dbraw/zinc/73/81/15/934738115.db2.gz FFFOKMCKUZLMDZ-WPCMGHOJSA-N 1 0 368.525 3.637 20 30 FHEDRO N#Cc1cc(CN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)ccn1 ZINC000610994885 934738716 /nfs/dbraw/zinc/73/87/16/934738716.db2.gz ZCJSHIKTHDEQFT-UHFFFAOYSA-N 1 0 360.505 3.974 20 30 FHEDRO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc(OC)c1OC ZINC000123381537 934832628 /nfs/dbraw/zinc/83/26/28/934832628.db2.gz YRNKMVVMNLOJMU-UHFFFAOYSA-N 1 0 354.450 3.995 20 30 FHEDRO C[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)C[NH+]1CCCCC1 ZINC000431285172 934874260 /nfs/dbraw/zinc/87/42/60/934874260.db2.gz SSEILKGGIVCSPB-UYAOXDASSA-N 1 0 356.514 3.843 20 30 FHEDRO C#Cc1cccc(NC(=S)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000728445949 934948712 /nfs/dbraw/zinc/94/87/12/934948712.db2.gz NZGHIRWFVRKLSK-IBGZPJMESA-N 1 0 355.551 3.953 20 30 FHEDRO C#Cc1cccc(NC(=S)N(CC[NH+](C)C)Cc2cccc(C)c2)c1 ZINC000728450358 935005233 /nfs/dbraw/zinc/00/52/33/935005233.db2.gz YYZJRXLULYWJKW-UHFFFAOYSA-N 1 0 351.519 3.737 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)CCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000531067755 935010147 /nfs/dbraw/zinc/01/01/47/935010147.db2.gz SZDOEZPATLUUEZ-LJQANCHMSA-N 1 0 355.869 3.563 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000519062627 945074057 /nfs/dbraw/zinc/07/40/57/945074057.db2.gz JLTLRFHNYREXCX-GOSISDBHSA-N 1 0 370.541 3.989 20 30 FHEDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)cc1OCCCC#N ZINC000105447101 935086494 /nfs/dbraw/zinc/08/64/94/935086494.db2.gz ZWCLFNZNFLOENP-INIZCTEOSA-N 1 0 354.450 3.804 20 30 FHEDRO C=CCCn1cc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nn1 ZINC000657310721 935091962 /nfs/dbraw/zinc/09/19/62/935091962.db2.gz RRWRBEQMKAQFPU-GOSISDBHSA-N 1 0 353.514 3.518 20 30 FHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cccc(Br)c1 ZINC000320793213 935123912 /nfs/dbraw/zinc/12/39/12/935123912.db2.gz JHVKYWHGZCWFMS-UHFFFAOYSA-N 1 0 372.266 3.781 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000051421466 935221447 /nfs/dbraw/zinc/22/14/47/935221447.db2.gz RRLOHPQRMVFNIO-ICSRJNTNSA-N 1 0 356.853 3.788 20 30 FHEDRO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3ccc(C(C)C)cc3)CC2)c1C#N ZINC000472156647 935230005 /nfs/dbraw/zinc/23/00/05/935230005.db2.gz GFYQWRKKRUUZPS-KRWDZBQOSA-N 1 0 351.498 3.607 20 30 FHEDRO C#CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000366752605 945088493 /nfs/dbraw/zinc/08/84/93/945088493.db2.gz AXJABLOZBREAPO-CMKODMSKSA-N 1 0 367.518 3.805 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2COC3(CCCCCC3)O2)cc1Cl ZINC000262054333 935274792 /nfs/dbraw/zinc/27/47/92/935274792.db2.gz ARMYZOCANPQRMI-CQSZACIVSA-N 1 0 367.877 3.541 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(CO)c1 ZINC000121774756 935304823 /nfs/dbraw/zinc/30/48/23/935304823.db2.gz BBAYRVFSQBDGMK-KXBFYZLASA-N 1 0 353.441 3.509 20 30 FHEDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000134974196 935316880 /nfs/dbraw/zinc/31/68/80/935316880.db2.gz KJHFCYDTIXETIA-INIZCTEOSA-N 1 0 350.853 3.965 20 30 FHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511081381 935317722 /nfs/dbraw/zinc/31/77/22/935317722.db2.gz MQADSBBXGSXXEZ-MRXNPFEDSA-N 1 0 367.415 3.647 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551679024 935326903 /nfs/dbraw/zinc/32/69/03/935326903.db2.gz IMWHTHWATCUNGB-FQEVSTJZSA-N 1 0 365.452 3.728 20 30 FHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCSC1 ZINC000119922732 935337437 /nfs/dbraw/zinc/33/74/37/935337437.db2.gz KJFRVPVATKJODN-CYBMUJFWSA-N 1 0 363.552 3.655 20 30 FHEDRO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507270000 945095403 /nfs/dbraw/zinc/09/54/03/945095403.db2.gz MESQMZMIPSXLLC-FQEVSTJZSA-N 1 0 370.537 3.634 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1ccsc1 ZINC000119955080 935361598 /nfs/dbraw/zinc/36/15/98/935361598.db2.gz JWGBILSGMPDSCI-INIZCTEOSA-N 1 0 363.433 3.711 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CSCC1CC[NH2+]CC1 ZINC000582178953 935380259 /nfs/dbraw/zinc/38/02/59/935380259.db2.gz BQKZAADSSXGNJP-AWEZNQCLSA-N 1 0 363.552 3.610 20 30 FHEDRO COc1ccc(C[NH2+][C@@H](C)Cc2cccc(O)c2)cc1OCCCC#N ZINC000582257834 935454304 /nfs/dbraw/zinc/45/43/04/935454304.db2.gz QAFWLIRMSKQXTR-INIZCTEOSA-N 1 0 354.450 3.804 20 30 FHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)C2)C1 ZINC000458854169 945102156 /nfs/dbraw/zinc/10/21/56/945102156.db2.gz XBOHXRPWTYMVEU-FPOVZHCZSA-N 1 0 354.498 3.549 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H](C[NH3+])C2CC2)cc1Cl ZINC000414899315 945105372 /nfs/dbraw/zinc/10/53/72/945105372.db2.gz FJCMLNMRESZPLP-PKOBYXMFSA-N 1 0 368.868 3.854 20 30 FHEDRO N#Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000120052036 935510138 /nfs/dbraw/zinc/51/01/38/935510138.db2.gz SNAANRBATTWOQU-MRXNPFEDSA-N 1 0 354.479 3.653 20 30 FHEDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1cnc2ccc(C#N)cn12 ZINC000120077770 935539802 /nfs/dbraw/zinc/53/98/02/935539802.db2.gz CFXMWGOVZVRIRV-UHFFFAOYSA-N 1 0 367.522 3.611 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000178567285 935584382 /nfs/dbraw/zinc/58/43/82/935584382.db2.gz JZJAYXPILILPMI-FUHWJXTLSA-N 1 0 354.498 3.985 20 30 FHEDRO CC[NH+]1CCC(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091205825 935613764 /nfs/dbraw/zinc/61/37/64/935613764.db2.gz LQELDRKTDMSACA-UHFFFAOYSA-N 1 0 362.477 3.509 20 30 FHEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511111899 935621466 /nfs/dbraw/zinc/62/14/66/935621466.db2.gz WOTXREGEWVCCBB-HOCLYGCPSA-N 1 0 367.415 3.645 20 30 FHEDRO C=CCCn1cc(C[NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)nn1 ZINC000657420380 935657564 /nfs/dbraw/zinc/65/75/64/935657564.db2.gz WLQGUMOLIVLUOI-UHFFFAOYSA-N 1 0 373.913 3.963 20 30 FHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1C#N ZINC000478649113 935675986 /nfs/dbraw/zinc/67/59/86/935675986.db2.gz MURIYPDSVBLNKM-UONOGXRCSA-N 1 0 372.538 3.545 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000152489943 935680214 /nfs/dbraw/zinc/68/02/14/935680214.db2.gz MCWANNKGMFCRJS-FQEVSTJZSA-N 1 0 369.509 3.640 20 30 FHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Cl)c(F)c1 ZINC000127692757 935733370 /nfs/dbraw/zinc/73/33/70/935733370.db2.gz GKVDWNWJVPNGIN-UHFFFAOYSA-N 1 0 351.834 3.873 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000158381107 935765342 /nfs/dbraw/zinc/76/53/42/935765342.db2.gz PFIINLAZUWPDPN-UHFFFAOYSA-N 1 0 363.461 3.731 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1OC ZINC000277650075 935779649 /nfs/dbraw/zinc/77/96/49/935779649.db2.gz DNTJQPNICLRIGN-WFASDCNBSA-N 1 0 370.287 3.537 20 30 FHEDRO C[NH+](C)CC1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000431431087 935789575 /nfs/dbraw/zinc/78/95/75/935789575.db2.gz NTEFTCWQYRWLPX-LYBXBRPPSA-N 1 0 356.514 3.841 20 30 FHEDRO CC(C)[C@@H](C(=O)NCc1cc(F)cc2c1OCOC2)[NH+]1CCCCC1 ZINC000329083899 935861259 /nfs/dbraw/zinc/86/12/59/935861259.db2.gz FKSDNMYEEOKCBC-KRWDZBQOSA-N 1 0 350.434 3.659 20 30 FHEDRO C[N@H+](CCCCC(C)(C)C#N)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000277749127 935881686 /nfs/dbraw/zinc/88/16/86/935881686.db2.gz PJZGHXBUTCAKER-UHFFFAOYSA-N 1 0 366.527 3.511 20 30 FHEDRO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCC2(C#N)CC2)c1 ZINC000560483609 935965459 /nfs/dbraw/zinc/96/54/59/935965459.db2.gz KXWYVHGQPPEAIQ-YADHBBJMSA-N 1 0 373.500 3.631 20 30 FHEDRO C[C@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CCCCC1 ZINC000728517184 936010742 /nfs/dbraw/zinc/01/07/42/936010742.db2.gz IFWAKAOAVMBFRC-QGZVFWFLSA-N 1 0 363.461 3.955 20 30 FHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000075964538 936018162 /nfs/dbraw/zinc/01/81/62/936018162.db2.gz QBPGTQOWEPFYEZ-ROUUACIJSA-N 1 0 371.550 3.832 20 30 FHEDRO N#Cc1cc2c(nc1NC(=O)[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCCC2 ZINC000121865850 936024847 /nfs/dbraw/zinc/02/48/47/936024847.db2.gz PUZUNFDVNOFYHF-IBGZPJMESA-N 1 0 374.488 3.683 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CC2CCC2)c1C#N ZINC000472252121 936044107 /nfs/dbraw/zinc/04/41/07/936044107.db2.gz QJRRILNLMAVUGL-UHFFFAOYSA-N 1 0 368.481 3.678 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc1Cl ZINC000657580071 936049958 /nfs/dbraw/zinc/04/99/58/936049958.db2.gz YTBJXJZEQGSTDO-LZLYRXPVSA-N 1 0 353.890 3.561 20 30 FHEDRO C[C@@H]1CCC[C@@](CNC(=O)N[C@@H](CCC#N)c2ccccc2)([NH+](C)C)C1 ZINC000438855929 945142744 /nfs/dbraw/zinc/14/27/44/945142744.db2.gz KHOMURUTSFKMAJ-SLYNCCJLSA-N 1 0 356.514 3.841 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000329110459 936142807 /nfs/dbraw/zinc/14/28/07/936142807.db2.gz JKSSRQTYRZXWCE-CRAIPNDOSA-N 1 0 363.477 3.663 20 30 FHEDRO C=CCOc1c(Cl)cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000628163460 936156492 /nfs/dbraw/zinc/15/64/92/936156492.db2.gz CXEHFLFGKBOYNW-INIZCTEOSA-N 1 0 350.890 3.582 20 30 FHEDRO CC1CCC(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000516689367 945147339 /nfs/dbraw/zinc/14/73/39/945147339.db2.gz IFJZIIAEVPWXET-UHFFFAOYSA-N 1 0 368.525 3.602 20 30 FHEDRO COc1cc(C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)ccc1C#N ZINC000516690382 945148443 /nfs/dbraw/zinc/14/84/43/945148443.db2.gz LPMOGZDPDKGYRH-OAHLLOKOSA-N 1 0 366.465 3.948 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000078565575 936204402 /nfs/dbraw/zinc/20/44/02/936204402.db2.gz VDHGQSVLJMLPHM-YWZLYKJASA-N 1 0 366.440 3.729 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1OC ZINC000657688959 936257535 /nfs/dbraw/zinc/25/75/35/936257535.db2.gz VOEKCDRRDCWIHK-WOJBJXKFSA-N 1 0 369.509 3.885 20 30 FHEDRO CC(C)[NH+]1CCN(Cc2ccc(NCc3ccccc3C#N)c(F)c2)CC1 ZINC001167637143 936278555 /nfs/dbraw/zinc/27/85/55/936278555.db2.gz JEHVLTNEBQGDAO-UHFFFAOYSA-N 1 0 366.484 3.835 20 30 FHEDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000519128359 945153995 /nfs/dbraw/zinc/15/39/95/945153995.db2.gz PEZFXLSPJUSASZ-IFMALSPDSA-N 1 0 352.478 3.522 20 30 FHEDRO CC(C)[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000519128362 945154123 /nfs/dbraw/zinc/15/41/23/945154123.db2.gz PEZFXLSPJUSASZ-UNMCSNQZSA-N 1 0 352.478 3.522 20 30 FHEDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000583432240 938252364 /nfs/dbraw/zinc/25/23/64/938252364.db2.gz KHMHLJPIASSQQT-IBGZPJMESA-N 1 0 361.489 3.963 20 30 FHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@](C)(C#N)C2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000583455244 938260498 /nfs/dbraw/zinc/26/04/98/938260498.db2.gz UBSSCIXWGNSMEY-IIDMSEBBSA-N 1 0 373.463 3.874 20 30 FHEDRO Cc1cnc(-c2cccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2)o1 ZINC000329223409 938293656 /nfs/dbraw/zinc/29/36/56/938293656.db2.gz XZUQUAFRNPTECP-GOSISDBHSA-N 1 0 354.454 3.756 20 30 FHEDRO N#Cc1cc(F)ccc1CN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000728569981 938298293 /nfs/dbraw/zinc/29/82/93/938298293.db2.gz YRHUGSABMYWCJT-UHFFFAOYSA-N 1 0 360.436 3.563 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245496557 938300693 /nfs/dbraw/zinc/30/06/93/938300693.db2.gz RQHYYEINNIEMNX-MSOLQXFVSA-N 1 0 373.566 3.850 20 30 FHEDRO Oc1cccc(C[N@@H+](CC#Cc2ccc(F)cc2)[C@H]2CC[C@H](O)CC2)c1 ZINC000583572860 938307661 /nfs/dbraw/zinc/30/76/61/938307661.db2.gz DNEKTRNADPFAHI-MEMLXQNLSA-N 1 0 353.437 3.689 20 30 FHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000245737320 938311605 /nfs/dbraw/zinc/31/16/05/938311605.db2.gz QZOFXWGUXLYBTF-WBVHZDCISA-N 1 0 360.527 3.742 20 30 FHEDRO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329293862 938327319 /nfs/dbraw/zinc/32/73/19/938327319.db2.gz OCBYOAXNKBTFIO-MJGOQNOKSA-N 1 0 363.546 3.636 20 30 FHEDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c(-n2cc(Cl)cn2)n1 ZINC000583722735 938376402 /nfs/dbraw/zinc/37/64/02/938376402.db2.gz KKCJGSILFWCQOH-LJQANCHMSA-N 1 0 363.852 3.878 20 30 FHEDRO COc1ccccc1-n1nccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000583742566 938388599 /nfs/dbraw/zinc/38/85/99/938388599.db2.gz GBWMZWDXYSQMAD-HXUWFJFHSA-N 1 0 358.445 3.920 20 30 FHEDRO Cc1noc(C)c1[C@H](C)CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000130737860 938431742 /nfs/dbraw/zinc/43/17/42/938431742.db2.gz UOBGVSIMTGPMNM-SECBINFHSA-N 1 0 356.348 3.720 20 30 FHEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000583852120 938450479 /nfs/dbraw/zinc/45/04/79/938450479.db2.gz RPIHAKXSKAOPNN-JOCHJYFZSA-N 1 0 372.472 3.836 20 30 FHEDRO N#Cc1cc(F)c(NC2CC([NH+]3CCCCC3)C2)cc1Br ZINC000583882362 938465374 /nfs/dbraw/zinc/46/53/74/938465374.db2.gz DKECPZHYARWXCD-UHFFFAOYSA-N 1 0 352.251 3.889 20 30 FHEDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000329536097 938468196 /nfs/dbraw/zinc/46/81/96/938468196.db2.gz LUEHIOJHLBJZQG-WMQCIHAUSA-N 1 0 373.541 3.636 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158186377 938473689 /nfs/dbraw/zinc/47/36/89/938473689.db2.gz OVOPLNNLCJSMAK-HZPDHXFCSA-N 1 0 360.527 3.744 20 30 FHEDRO C[NH+](C)Cc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278589236 938561860 /nfs/dbraw/zinc/56/18/60/938561860.db2.gz GUCZVMYVOIMKJC-UHFFFAOYSA-N 1 0 360.465 3.532 20 30 FHEDRO C=CCc1cc(C[NH2+]Cc2c(CC)nn(C)c2CC)cc(OC)c1OC ZINC000161996360 938565016 /nfs/dbraw/zinc/56/50/16/938565016.db2.gz RXIOPTAIJGOBJS-UHFFFAOYSA-N 1 0 357.498 3.580 20 30 FHEDRO COc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(OC)c1OC ZINC000573032844 938595802 /nfs/dbraw/zinc/59/58/02/938595802.db2.gz DECBNVSTOLKFDT-GOSISDBHSA-N 1 0 352.434 3.751 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC(CCC#N)CC2)cc1 ZINC000584109841 938602385 /nfs/dbraw/zinc/60/23/85/938602385.db2.gz GMVWLBRJGCMEDA-UHFFFAOYSA-N 1 0 356.514 3.754 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000657829878 938615856 /nfs/dbraw/zinc/61/58/56/938615856.db2.gz AXCICCLNGZXYCO-GHTZIAJQSA-N 1 0 355.526 3.814 20 30 FHEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccs1 ZINC000278648818 938618048 /nfs/dbraw/zinc/61/80/48/938618048.db2.gz MGQCWDWJKSPIFE-INIZCTEOSA-N 1 0 365.506 3.889 20 30 FHEDRO Cc1csc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000584151198 938618931 /nfs/dbraw/zinc/61/89/31/938618931.db2.gz JJIWMNSFLXQJIM-GUYCJALGSA-N 1 0 354.479 3.570 20 30 FHEDRO C=C(C)[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000248510872 938626909 /nfs/dbraw/zinc/62/69/09/938626909.db2.gz APERFFXHVZUOKL-DAYGRLMNSA-N 1 0 351.441 3.754 20 30 FHEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278726572 938689104 /nfs/dbraw/zinc/68/91/04/938689104.db2.gz TZSJEUOGQRHNJM-RBUKOAKNSA-N 1 0 367.497 3.542 20 30 FHEDRO CCC1(CC)[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1OC ZINC000278726568 938689136 /nfs/dbraw/zinc/68/91/36/938689136.db2.gz TZSJEUOGQRHNJM-MOPGFXCFSA-N 1 0 367.497 3.542 20 30 FHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2C1 ZINC000162161444 938691999 /nfs/dbraw/zinc/69/19/99/938691999.db2.gz SDDJXOIJWSSXRS-INIZCTEOSA-N 1 0 363.461 3.936 20 30 FHEDRO COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)c2)n1 ZINC000278742298 938718515 /nfs/dbraw/zinc/71/85/15/938718515.db2.gz NKBJPROWRSIKIA-CZUORRHYSA-N 1 0 355.463 3.769 20 30 FHEDRO C=CCCc1ccccc1NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000584420511 938846988 /nfs/dbraw/zinc/84/69/88/938846988.db2.gz LFXBGSOTOIHSER-UHFFFAOYSA-N 1 0 369.553 3.940 20 30 FHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000158845355 938891805 /nfs/dbraw/zinc/89/18/05/938891805.db2.gz AZWJVCHDNMDIGL-LJQANCHMSA-N 1 0 363.461 3.691 20 30 FHEDRO N#CCc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000562913822 938937907 /nfs/dbraw/zinc/93/79/07/938937907.db2.gz FZEZUPCWBPZWHS-HNAYVOBHSA-N 1 0 372.900 3.887 20 30 FHEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OCC(F)(F)F ZINC000329835997 938965335 /nfs/dbraw/zinc/96/53/35/938965335.db2.gz LOZDQZIBNORFHL-HUUCEWRRSA-N 1 0 371.403 3.889 20 30 FHEDRO Cc1cnc([C@@H](C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000278776319 938967455 /nfs/dbraw/zinc/96/74/55/938967455.db2.gz YSNANCPNLCPCDT-AWEZNQCLSA-N 1 0 366.494 3.517 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](COC)Cc1ccccc1 ZINC000472327141 938971836 /nfs/dbraw/zinc/97/18/36/938971836.db2.gz LRHRRNDSFMGLCR-GOSISDBHSA-N 1 0 371.506 3.528 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCc4ccc(Cl)cc43)C2=O)cc1 ZINC000507418786 945219425 /nfs/dbraw/zinc/21/94/25/945219425.db2.gz BQBYUQWGRYEKRT-UXHICEINSA-N 1 0 365.864 3.984 20 30 FHEDRO Cc1c(Cl)cnc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1C#N ZINC000544066743 938980195 /nfs/dbraw/zinc/98/01/95/938980195.db2.gz HDLYBBMUPNHZFM-SUMWQHHRSA-N 1 0 360.914 3.894 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000611938674 938993433 /nfs/dbraw/zinc/99/34/33/938993433.db2.gz GTMXXPMLRPFUSQ-RBUKOAKNSA-N 1 0 364.493 3.993 20 30 FHEDRO C[C@H]1C[C@H](N(C)C(=O)c2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000188172249 939021471 /nfs/dbraw/zinc/02/14/71/939021471.db2.gz SQNLKNIJLKDMKF-FUHWJXTLSA-N 1 0 365.452 3.822 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1OCCCC#N ZINC000147179740 939026776 /nfs/dbraw/zinc/02/67/76/939026776.db2.gz NIPPTRTZWKREBE-LJQANCHMSA-N 1 0 354.450 3.509 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@](C)(C#N)C2)c2cccs2)CC1 ZINC000612091885 939049738 /nfs/dbraw/zinc/04/97/38/939049738.db2.gz YAMKPTWQTZHEAH-YLJYHZDGSA-N 1 0 374.554 3.856 20 30 FHEDRO CCCc1c(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000440078897 945224018 /nfs/dbraw/zinc/22/40/18/945224018.db2.gz XTFJFQCVNXCCBJ-IYBDPMFKSA-N 1 0 365.481 3.508 20 30 FHEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000658209979 939070298 /nfs/dbraw/zinc/07/02/98/939070298.db2.gz MDONFDPHLHOPAR-INIZCTEOSA-N 1 0 351.512 3.646 20 30 FHEDRO N#Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612131211 939118280 /nfs/dbraw/zinc/11/82/80/939118280.db2.gz SQPVHQNYWLQFNN-GBESFXJTSA-N 1 0 365.502 3.650 20 30 FHEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000612133327 939126023 /nfs/dbraw/zinc/12/60/23/939126023.db2.gz WVUSGVWEEFZOLE-BHIYHBOVSA-N 1 0 365.502 3.650 20 30 FHEDRO N#Cc1csc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612133321 939126142 /nfs/dbraw/zinc/12/61/42/939126142.db2.gz WBVHRJUDWDFMJN-CEXWTWQISA-N 1 0 365.502 3.650 20 30 FHEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C(=O)Nc1nccs1 ZINC000179436890 939159968 /nfs/dbraw/zinc/15/99/68/939159968.db2.gz UHZYIUVDDHVRSI-RHSMWYFYSA-N 1 0 372.494 3.577 20 30 FHEDRO 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372.509 3.740 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000376201195 940460094 /nfs/dbraw/zinc/46/00/94/940460094.db2.gz VYVLLYZAGYPLAK-UHFFFAOYSA-N 1 0 358.442 3.545 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CSc4ccccc4O3)CC2)cc1 ZINC000580444687 940475167 /nfs/dbraw/zinc/47/51/67/940475167.db2.gz PTOBZHJCEWCEND-LJQANCHMSA-N 1 0 365.502 3.670 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)CC1 ZINC000511444229 940477915 /nfs/dbraw/zinc/47/79/15/940477915.db2.gz KOSJNRXQUMMFQN-LJQANCHMSA-N 1 0 365.880 3.571 20 30 FHEDRO C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC12CCCCC2 ZINC000613188787 940480749 /nfs/dbraw/zinc/48/07/49/940480749.db2.gz DSVUFKGWYVRAIM-ICSRJNTNSA-N 1 0 356.510 3.785 20 30 FHEDRO CN(CCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180106806 940480984 /nfs/dbraw/zinc/48/09/84/940480984.db2.gz KZJHIOUXXJMCGP-UHFFFAOYSA-N 1 0 373.504 3.965 20 30 FHEDRO Cc1nsc(N2CC[NH+]([C@@H](C)CCc3cccc(F)c3)CC2)c1C#N ZINC000581374735 940502585 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/nfs/dbraw/zinc/91/29/04/940912904.db2.gz GRXDIFWVFKRSEX-PKOBYXMFSA-N 1 0 372.534 3.789 20 30 FHEDRO O=C(NC1CC([NH+]2CCCCC2)C1)C1(OCc2ccccc2)CCOCC1 ZINC000330116067 945363006 /nfs/dbraw/zinc/36/30/06/945363006.db2.gz UVCHYTAQHTWCOO-UHFFFAOYSA-N 1 0 372.509 3.726 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc(SCC#N)c2)C1 ZINC000176016384 940967694 /nfs/dbraw/zinc/96/76/94/940967694.db2.gz PIHVWAVCHOSBMU-IRXDYDNUSA-N 1 0 359.539 3.790 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC000180364337 940989443 /nfs/dbraw/zinc/98/94/43/940989443.db2.gz MADMWJOHKSJXDU-OAHLLOKOSA-N 1 0 366.273 3.822 20 30 FHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(C#N)s3)CCN2C2CC2)c1 ZINC000180375903 940992620 /nfs/dbraw/zinc/99/26/20/940992620.db2.gz KYFLZURSJZNAKN-VQTJNVASSA-N 1 0 353.491 3.696 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1 ZINC000414349198 941019548 /nfs/dbraw/zinc/01/95/48/941019548.db2.gz OYKJCFLSLFNVSI-HXUWFJFHSA-N 1 0 364.468 3.535 20 30 FHEDRO CCOc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000180713994 941066837 /nfs/dbraw/zinc/06/68/37/941066837.db2.gz HWCOLTMSHJPZJK-UONOGXRCSA-N 1 0 355.438 3.845 20 30 FHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1N=Cc1cc2ccccc2[nH]c1=O ZINC000255924923 941068902 /nfs/dbraw/zinc/06/89/02/941068902.db2.gz CQNYZQWSRQYJHP-UHFFFAOYSA-N 1 0 360.461 3.751 20 30 FHEDRO C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180857768 941086066 /nfs/dbraw/zinc/08/60/66/941086066.db2.gz LQNIVGHGRYITOW-NVXWUHKLSA-N 1 0 371.529 3.889 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-c2ccncc2)cc1 ZINC000180908291 941089944 /nfs/dbraw/zinc/08/99/44/941089944.db2.gz PHKPXYDQVGWNOB-AWEZNQCLSA-N 1 0 362.458 3.971 20 30 FHEDRO N#Cc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(Br)c1 ZINC000181120851 941109898 /nfs/dbraw/zinc/10/98/98/941109898.db2.gz FPBQNWICPCVXEK-INIZCTEOSA-N 1 0 362.315 3.629 20 30 FHEDRO N#Cc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(Br)c1 ZINC000181117832 941109999 /nfs/dbraw/zinc/10/99/99/941109999.db2.gz RDUGOKQHHPOWSS-KRWDZBQOSA-N 1 0 362.315 3.771 20 30 FHEDRO C=CCCCN(C)C(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000659270424 941139725 /nfs/dbraw/zinc/13/97/25/941139725.db2.gz LLTSNGFIRCTWAM-NRFANRHFSA-N 1 0 352.478 3.560 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000189033500 941142558 /nfs/dbraw/zinc/14/25/58/941142558.db2.gz CXVANWHZGPTNNI-UHFFFAOYSA-N 1 0 365.452 3.682 20 30 FHEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000181376282 941143152 /nfs/dbraw/zinc/14/31/52/941143152.db2.gz HBBBYAUPCGFBFK-KRWDZBQOSA-N 1 0 363.461 3.805 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000177897644 941153713 /nfs/dbraw/zinc/15/37/13/941153713.db2.gz OUZWBKBRKJVTGR-INIZCTEOSA-N 1 0 366.440 3.826 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000177927403 941155152 /nfs/dbraw/zinc/15/51/52/941155152.db2.gz LIVIUMAHAUMLII-UHFFFAOYSA-N 1 0 366.440 3.731 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000311267502 941162871 /nfs/dbraw/zinc/16/28/71/941162871.db2.gz BPGCDRMILZTQMY-HOCLYGCPSA-N 1 0 361.461 3.823 20 30 FHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000311267433 941162894 /nfs/dbraw/zinc/16/28/94/941162894.db2.gz QFYDGXPWASHPIE-GOSISDBHSA-N 1 0 361.461 3.870 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(F)c2C#N)cc1Cl ZINC000189646428 941240049 /nfs/dbraw/zinc/24/00/49/941240049.db2.gz SQTODNDWPMDJER-UHFFFAOYSA-N 1 0 361.804 3.543 20 30 FHEDRO C[C@@]1(CNc2ccc([N+](=O)[O-])c(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000311382643 941268521 /nfs/dbraw/zinc/26/85/21/941268521.db2.gz BQBUNRKOAGBJSC-FQEVSTJZSA-N 1 0 350.422 3.791 20 30 FHEDRO Cc1cccc2nc(C3CC[NH+](C[C@@H](O)c4ccc(C#N)cc4)CC3)oc21 ZINC000189811637 941285309 /nfs/dbraw/zinc/28/53/09/941285309.db2.gz XFAWMXJPLGJWGV-HXUWFJFHSA-N 1 0 361.445 3.921 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)c1ccc(C(F)(F)F)cc1 ZINC000659472571 941291190 /nfs/dbraw/zinc/29/11/90/941291190.db2.gz OJIIFVOFQKWDME-CRPOECCBSA-N 1 0 367.415 3.845 20 30 FHEDRO Clc1cccc(C#CC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000178912493 941321882 /nfs/dbraw/zinc/32/18/82/941321882.db2.gz ZUTHAEMUEBPNEU-QGZVFWFLSA-N 1 0 350.853 3.614 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659582129 941329451 /nfs/dbraw/zinc/32/94/51/941329451.db2.gz FTEIYZALPIAGRQ-RTBURBONSA-N 1 0 355.507 3.591 20 30 FHEDRO CCN1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549112865 941347409 /nfs/dbraw/zinc/34/74/09/941347409.db2.gz MAHQABHOHMENHB-TZIWHRDSSA-N 1 0 358.407 3.881 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)NCC(C)(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000376708130 941385561 /nfs/dbraw/zinc/38/55/61/941385561.db2.gz YYIMEBGPBLXDSU-PKOBYXMFSA-N 1 0 356.514 3.669 20 30 FHEDRO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)C[C@H]1C ZINC001104724778 941392048 /nfs/dbraw/zinc/39/20/48/941392048.db2.gz FXBAWJQXBVQGSL-SJLPKXTDSA-N 1 0 359.514 3.530 20 30 FHEDRO CC(C)(C#N)CC[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000376858639 941450957 /nfs/dbraw/zinc/45/09/57/941450957.db2.gz QBXFBZMLGCTEPJ-INIZCTEOSA-N 1 0 367.415 3.898 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000563881598 941485309 /nfs/dbraw/zinc/48/53/09/941485309.db2.gz LEUXOZRONJDBQX-TZIWHRDSSA-N 1 0 370.880 3.756 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000377048322 941503505 /nfs/dbraw/zinc/50/35/05/941503505.db2.gz SFHKAFZXIDZQQX-UHFFFAOYSA-N 1 0 370.541 3.666 20 30 FHEDRO CN1CC[C@H](C[NH2+]Cc2nc(C#N)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000564411484 941510567 /nfs/dbraw/zinc/51/05/67/941510567.db2.gz WBZHMLSGNOLRDR-PXAZEXFGSA-N 1 0 364.877 3.590 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[NH2+]1 ZINC000414973348 941530847 /nfs/dbraw/zinc/53/08/47/941530847.db2.gz ZIBJDBORXZDRFH-CYBMUJFWSA-N 1 0 370.840 3.830 20 30 FHEDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000415022343 941546035 /nfs/dbraw/zinc/54/60/35/941546035.db2.gz LJQKFCUFSMXBJX-KRWDZBQOSA-N 1 0 364.449 3.732 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415030037 941553998 /nfs/dbraw/zinc/55/39/98/941553998.db2.gz BQAFISZVUIXNJU-NVXWUHKLSA-N 1 0 364.449 3.942 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2)cc1 ZINC000415040929 941560502 /nfs/dbraw/zinc/56/05/02/941560502.db2.gz OTLNSLJWWIQILD-NVXWUHKLSA-N 1 0 350.422 3.599 20 30 FHEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415046195 941568944 /nfs/dbraw/zinc/56/89/44/941568944.db2.gz UMXYYSPFBRAIMP-HXUWFJFHSA-N 1 0 352.438 3.845 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])cc2)cc1 ZINC000415045773 941569267 /nfs/dbraw/zinc/56/92/67/941569267.db2.gz UKXAHYOGEHRMJS-UZLBHIALSA-N 1 0 364.449 3.990 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000415060246 941571973 /nfs/dbraw/zinc/57/19/73/941571973.db2.gz JUHKMVHGVNMKKQ-RDJZCZTQSA-N 1 0 364.449 3.860 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415063889 941576689 /nfs/dbraw/zinc/57/66/89/941576689.db2.gz PVOLPVPDHKHEQS-KSSFIOAISA-N 1 0 350.422 3.612 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1Cl ZINC000415100050 941603136 /nfs/dbraw/zinc/60/31/36/941603136.db2.gz ACNRIOWXBWPZAD-QUCCMNQESA-N 1 0 364.917 3.623 20 30 FHEDRO CCc1nnc(N2CCC(CCC[NH+](CC)CC)CC2)c(C#N)c1CC ZINC000541110263 941604423 /nfs/dbraw/zinc/60/44/23/941604423.db2.gz UZJXVCDLWSFXSX-UHFFFAOYSA-N 1 0 357.546 3.811 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC3(C[NH3+])CCCC3)c2)cc1 ZINC000415146901 941633544 /nfs/dbraw/zinc/63/35/44/941633544.db2.gz GYEPLGQXNAJICU-UHFFFAOYSA-N 1 0 350.422 3.744 20 30 FHEDRO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1cn2cc(C)ccc2[nH+]1 ZINC000549197257 941633924 /nfs/dbraw/zinc/63/39/24/941633924.db2.gz QTVCUYLSXCSUSI-UHFFFAOYSA-N 1 0 362.820 3.839 20 30 FHEDRO C[C@H](CCCC[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415153223 941635723 /nfs/dbraw/zinc/63/57/23/941635723.db2.gz WTSOHKIFZVWZLN-OAHLLOKOSA-N 1 0 352.438 3.990 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000415152937 941635867 /nfs/dbraw/zinc/63/58/67/941635867.db2.gz CJIKLMNIVOFAAQ-OAQYLSRUSA-N 1 0 362.433 3.568 20 30 FHEDRO CC(C)[NH+](CCCNC(=O)Nc1cc(C#N)ccc1OC(F)F)C(C)C ZINC000472724665 941636006 /nfs/dbraw/zinc/63/60/06/941636006.db2.gz NHTIVFPPWXEUBK-UHFFFAOYSA-N 1 0 368.428 3.790 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415160431 941642784 /nfs/dbraw/zinc/64/27/84/941642784.db2.gz LIHXVAQEOXZSQT-YOEHRIQHSA-N 1 0 360.527 3.981 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415159978 941643273 /nfs/dbraw/zinc/64/32/73/941643273.db2.gz KITXLMZSDMUAKN-HNAYVOBHSA-N 1 0 358.511 3.546 20 30 FHEDRO C[NH2+]CCC1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000415159965 941643309 /nfs/dbraw/zinc/64/33/09/941643309.db2.gz KFVWRBYXRVKMRQ-OAHLLOKOSA-N 1 0 360.527 3.792 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415159976 941643319 /nfs/dbraw/zinc/64/33/19/941643319.db2.gz KITXLMZSDMUAKN-BEFAXECRSA-N 1 0 358.511 3.546 20 30 FHEDRO CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472731896 941644803 /nfs/dbraw/zinc/64/48/03/941644803.db2.gz UTEPJDSKFRYMGA-LJQANCHMSA-N 1 0 366.440 3.826 20 30 FHEDRO C[C@](C[NH3+])(NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CC1 ZINC000415169019 941646104 /nfs/dbraw/zinc/64/61/04/941646104.db2.gz VQHQLPLXQQTIHK-HXUWFJFHSA-N 1 0 350.422 3.599 20 30 FHEDRO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000415165361 941646987 /nfs/dbraw/zinc/64/69/87/941646987.db2.gz DXONHCMKISZXLF-OAQYLSRUSA-N 1 0 367.468 3.781 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415167110 941648412 /nfs/dbraw/zinc/64/84/12/941648412.db2.gz SNIFKWLHYFGPDB-HNNXBMFYSA-N 1 0 358.511 3.546 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)ccc1Cl ZINC000431840412 941650833 /nfs/dbraw/zinc/65/08/33/941650833.db2.gz NAQJGUNYVGEPCC-UHFFFAOYSA-N 1 0 359.832 3.555 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc3c(cccc3C(F)(F)F)s2)CC1 ZINC000122354013 941659265 /nfs/dbraw/zinc/65/92/65/941659265.db2.gz QVUNTCRFUCSAGG-UHFFFAOYSA-N 1 0 367.396 3.599 20 30 FHEDRO C[C@H](NC(=O)[C@H]1CCn2cncc2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541133243 941666891 /nfs/dbraw/zinc/66/68/91/941666891.db2.gz WGJYZVPXHDCZBK-KKSFZXQISA-N 1 0 370.456 3.862 20 30 FHEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000472753105 941676651 /nfs/dbraw/zinc/67/66/51/941676651.db2.gz PRBXLMIMYVOSSD-HOTGVXAUSA-N 1 0 357.281 3.723 20 30 FHEDRO N#Cc1ccc(NC(=O)N(CCC[NH3+])CC2CCCC2)cc1C(F)(F)F ZINC000415212039 941680064 /nfs/dbraw/zinc/68/00/64/941680064.db2.gz LZOZOVAERIVWKP-UHFFFAOYSA-N 1 0 368.403 3.950 20 30 FHEDRO COC(=O)[C@@H](C)C[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000472759560 941694161 /nfs/dbraw/zinc/69/41/61/941694161.db2.gz YWBMYBCYAMVUHW-SFHVURJKSA-N 1 0 350.462 3.627 20 30 FHEDRO C=CCC[C@H](O)C[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000472766778 941717538 /nfs/dbraw/zinc/71/75/38/941717538.db2.gz FRRONUKSOGFESJ-AWEZNQCLSA-N 1 0 359.297 3.971 20 30 FHEDRO COc1ccc2cc(/C=C/C(=O)N(CCC#N)CCC[NH+](C)C)ccc2c1 ZINC000729341467 941725021 /nfs/dbraw/zinc/72/50/21/941725021.db2.gz HCQADHGGZVAQDP-YRNVUSSQSA-N 1 0 365.477 3.556 20 30 FHEDRO N#Cc1ccc(CCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000365588788 941805703 /nfs/dbraw/zinc/80/57/03/941805703.db2.gz XGYPNMNOENWGAD-QFIPXVFZSA-N 1 0 361.489 3.519 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(C#N)ccc1Cl ZINC000513286233 941829167 /nfs/dbraw/zinc/82/91/67/941829167.db2.gz JOFKFTLZFJQOMX-INIZCTEOSA-N 1 0 367.880 3.948 20 30 FHEDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)cc1 ZINC000415461629 941838931 /nfs/dbraw/zinc/83/89/31/941838931.db2.gz DKZWPBOLMYBLIP-LLVKDONJSA-N 1 0 370.478 3.514 20 30 FHEDRO Cc1ccc(CCC2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)cc1 ZINC000576704366 941839170 /nfs/dbraw/zinc/83/91/70/941839170.db2.gz MVJCMWGYVVIZBV-UHFFFAOYSA-N 1 0 359.477 3.754 20 30 FHEDRO Cn1cc([C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C(C)(C)C)cn1 ZINC000513324811 941848445 /nfs/dbraw/zinc/84/84/45/941848445.db2.gz CKDBEMSCDGJPIZ-OAQYLSRUSA-N 1 0 365.525 3.633 20 30 FHEDRO Cc1cc(C[C@@H](C)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[nH]n1 ZINC000136805968 941872899 /nfs/dbraw/zinc/87/28/99/941872899.db2.gz KNKSYXICLPOGGQ-MRXNPFEDSA-N 1 0 360.461 3.890 20 30 FHEDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415540918 941887342 /nfs/dbraw/zinc/88/73/42/941887342.db2.gz ZGPOPIQEYUQNIH-UHFFFAOYSA-N 1 0 352.438 3.799 20 30 FHEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415536095 941889637 /nfs/dbraw/zinc/88/96/37/941889637.db2.gz MNOYRRNNRDNWLF-LSDHHAIUSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1 ZINC000377696293 941902912 /nfs/dbraw/zinc/90/29/12/941902912.db2.gz GZNOVCQCSHYZDF-ZNLUXHQJSA-N 1 0 350.462 3.575 20 30 FHEDRO N#CC1(CCC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)CCOCC1 ZINC000377732548 941943490 /nfs/dbraw/zinc/94/34/90/941943490.db2.gz MQLINCCTJKWVMJ-HXUWFJFHSA-N 1 0 354.494 3.771 20 30 FHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1nccc2ccccc21 ZINC000377746576 941956341 /nfs/dbraw/zinc/95/63/41/941956341.db2.gz DTLMWQQUCKEVPH-INIZCTEOSA-N 1 0 357.461 3.821 20 30 FHEDRO CC[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)N1CCc2ccccc2C1 ZINC000728711595 941978555 /nfs/dbraw/zinc/97/85/55/941978555.db2.gz JEYSSTFDMMGBPI-XMSQKQJNSA-N 1 0 363.505 3.904 20 30 FHEDRO COc1cccc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000430026924 941992303 /nfs/dbraw/zinc/99/23/03/941992303.db2.gz MXNPFFNPZHQVIL-INIZCTEOSA-N 1 0 363.461 3.979 20 30 FHEDRO COc1cccc([C@H](CNc2ncc(C#N)cc2Cl)[NH+]2CCCC2)c1 ZINC000513634430 942047772 /nfs/dbraw/zinc/04/77/72/942047772.db2.gz ARDDJVQGYIEYMW-SFHVURJKSA-N 1 0 356.857 3.864 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CCN(c3ccccc3C#N)CC2)cc1 ZINC000377886308 942052300 /nfs/dbraw/zinc/05/23/00/942052300.db2.gz AFRQRFOXVJWPSD-SFHVURJKSA-N 1 0 374.488 3.855 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000415799349 942055634 /nfs/dbraw/zinc/05/56/34/942055634.db2.gz BZRIWAHZYCVWGX-AWEZNQCLSA-N 1 0 352.463 3.522 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000415801032 942058355 /nfs/dbraw/zinc/05/83/55/942058355.db2.gz FTUMWEHXWMAFIF-KRWDZBQOSA-N 1 0 352.463 3.568 20 30 FHEDRO CN(C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C1CC([NH3+])C1 ZINC000415800926 942058559 /nfs/dbraw/zinc/05/85/59/942058559.db2.gz FNJXHNGVTALRAT-UHFFFAOYSA-N 1 0 352.463 3.663 20 30 FHEDRO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415806993 942061852 /nfs/dbraw/zinc/06/18/52/942061852.db2.gz PIZVHQHXFXAMAP-QGZVFWFLSA-N 1 0 366.490 3.925 20 30 FHEDRO C[C@@](C[NH3+])(NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C1CC1 ZINC000415810109 942063495 /nfs/dbraw/zinc/06/34/95/942063495.db2.gz VFHJEIMVQUDKMF-FQEVSTJZSA-N 1 0 366.490 3.958 20 30 FHEDRO CC[NH2+]Cc1ccccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000415928155 942164628 /nfs/dbraw/zinc/16/46/28/942164628.db2.gz FKEFNMSMSKKBGL-UHFFFAOYSA-N 1 0 360.461 3.989 20 30 FHEDRO N#Cc1ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000312030127 942179746 /nfs/dbraw/zinc/17/97/46/942179746.db2.gz XLRRHTMTJGEYIL-SFHVURJKSA-N 1 0 350.422 3.791 20 30 FHEDRO N#CCCn1cc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000280718953 942238861 /nfs/dbraw/zinc/23/88/61/942238861.db2.gz USPJZCUOQJGHNM-XUTJKUGGSA-N 1 0 357.461 3.895 20 30 FHEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(CN2CCOCC2)c1 ZINC000420902306 942245939 /nfs/dbraw/zinc/24/59/39/942245939.db2.gz MLBSRIKNTQAPMZ-UHFFFAOYSA-N 1 0 363.505 3.801 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000420950533 942272370 /nfs/dbraw/zinc/27/23/70/942272370.db2.gz RMYWVOIHHQVVOE-UHFFFAOYSA-N 1 0 373.500 3.680 20 30 FHEDRO C[C@H](c1ccccc1)N(CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000549397204 942282326 /nfs/dbraw/zinc/28/23/26/942282326.db2.gz HQNNCFYLZXBRHS-MRXNPFEDSA-N 1 0 354.475 3.558 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)C1CC1 ZINC000481058758 942307771 /nfs/dbraw/zinc/30/77/71/942307771.db2.gz LFCZMTADGYAFFV-FQEVSTJZSA-N 1 0 366.440 3.729 20 30 FHEDRO C[NH+](C)Cc1cccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502291928 942349120 /nfs/dbraw/zinc/34/91/20/942349120.db2.gz CSUHWCQNTRLWRW-UHFFFAOYSA-N 1 0 374.488 3.619 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000505236356 942408350 /nfs/dbraw/zinc/40/83/50/942408350.db2.gz YBFVFFVHKIPEPD-LJQANCHMSA-N 1 0 353.853 3.779 20 30 FHEDRO N#Cc1cccc(F)c1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000505295128 942452246 /nfs/dbraw/zinc/45/22/46/942452246.db2.gz DGGGMTZJLJJRMC-UHFFFAOYSA-N 1 0 351.425 3.864 20 30 FHEDRO COc1ccc(C2(C[NH2+]Cc3ccc(C#N)c(F)c3)CCOCC2)cc1 ZINC000421326084 942484437 /nfs/dbraw/zinc/48/44/37/942484437.db2.gz NHGCZVSUFNNJMY-UHFFFAOYSA-N 1 0 354.425 3.544 20 30 FHEDRO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000424980312 942485255 /nfs/dbraw/zinc/48/52/55/942485255.db2.gz UZVJYKXDHRAXOA-IAOVAPTHSA-N 1 0 367.415 3.897 20 30 FHEDRO CC[C@@H]1C[C@]1([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C)c1 ZINC000502520633 942496658 /nfs/dbraw/zinc/49/66/58/942496658.db2.gz IXXLMIKKYJJJEA-WIYYLYMNSA-N 1 0 368.502 3.555 20 30 FHEDRO C[C@@H]1C[N@@H+](Cc2cccc(NCc3ccc(C#N)c(F)c3)c2)C[C@H](C)O1 ZINC000421343544 942497226 /nfs/dbraw/zinc/49/72/26/942497226.db2.gz ZPUCZMZBWBECRB-IYBDPMFKSA-N 1 0 353.441 3.919 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)CC2)cc1 ZINC000502529161 942502859 /nfs/dbraw/zinc/50/28/59/942502859.db2.gz NCMXLYAPUQKAHE-FQEVSTJZSA-N 1 0 373.456 3.569 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H](O)COc3cccc4[nH]ccc43)CC2)cc1 ZINC000502529182 942503024 /nfs/dbraw/zinc/50/30/24/942503024.db2.gz NCMXLYAPUQKAHE-HXUWFJFHSA-N 1 0 373.456 3.569 20 30 FHEDRO C=CCc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc(OC)c1O ZINC000549409948 942503320 /nfs/dbraw/zinc/50/33/20/942503320.db2.gz LRUVZEQVPBADOO-UHFFFAOYSA-N 1 0 356.422 3.712 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000502529910 942503910 /nfs/dbraw/zinc/50/39/10/942503910.db2.gz PWLXRWQSWFXYLU-UHFFFAOYSA-N 1 0 356.429 3.548 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cc1F ZINC000421333994 942507369 /nfs/dbraw/zinc/50/73/69/942507369.db2.gz OYECLPSIBBHFRL-HXUWFJFHSA-N 1 0 373.859 3.514 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502552401 942530864 /nfs/dbraw/zinc/53/08/64/942530864.db2.gz GUHWGASVLQLBQL-UHFFFAOYSA-N 1 0 359.429 3.607 20 30 FHEDRO CCOc1cc2c(cc1OCC)C[N@H+](CCOc1ccc(C#N)cc1)CC2 ZINC000016418654 942582464 /nfs/dbraw/zinc/58/24/64/942582464.db2.gz CLXQUGVDWVAZRP-UHFFFAOYSA-N 1 0 366.461 3.793 20 30 FHEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513895346 942584490 /nfs/dbraw/zinc/58/44/90/942584490.db2.gz CRNJBAQMXBMXMJ-FQEVSTJZSA-N 1 0 364.489 3.846 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000502622727 942588118 /nfs/dbraw/zinc/58/81/18/942588118.db2.gz OHYQXSZYZWEXSZ-OAQYLSRUSA-N 1 0 356.514 3.670 20 30 FHEDRO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000182054278 942662889 /nfs/dbraw/zinc/66/28/89/942662889.db2.gz ZFLSFIHWVYRRMJ-ZWKOTPCHSA-N 1 0 364.493 3.860 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCCOc2ccccc21)C(C)C ZINC000514075947 942721343 /nfs/dbraw/zinc/72/13/43/942721343.db2.gz OUFGLDLHLUVQNU-PMACEKPBSA-N 1 0 371.525 3.898 20 30 FHEDRO Cc1nc(CNC(=O)Nc2cc(C#N)ccc2OC(C)C)c2n1CCCC2 ZINC000378406847 942732917 /nfs/dbraw/zinc/73/29/17/942732917.db2.gz TUOFBVGDPSVNEZ-UHFFFAOYSA-N 1 0 367.453 3.508 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CC[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000502784075 942757136 /nfs/dbraw/zinc/75/71/36/942757136.db2.gz LIBNVLCRCJVFLH-KRWDZBQOSA-N 1 0 353.384 3.876 20 30 FHEDRO CCO[C@H]1C[C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C12CCCCC2 ZINC000502858506 942801975 /nfs/dbraw/zinc/80/19/75/942801975.db2.gz VUQNPGMVPYYGIS-ROUUACIJSA-N 1 0 366.465 3.826 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cccc(OCc2ccccc2)c1 ZINC000434634288 942810819 /nfs/dbraw/zinc/81/08/19/942810819.db2.gz RBXCTTIIBUBWDB-MSOLQXFVSA-N 1 0 365.477 3.677 20 30 FHEDRO N#CC1(NC(=O)c2nccc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000378494702 942826303 /nfs/dbraw/zinc/82/63/03/942826303.db2.gz MTJXQWUVZATPFK-UHFFFAOYSA-N 1 0 370.456 3.523 20 30 FHEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000378495337 942827901 /nfs/dbraw/zinc/82/79/01/942827901.db2.gz KKMGZKPXOMARSY-UHFFFAOYSA-N 1 0 373.522 3.746 20 30 FHEDRO Cc1cc(F)cc2c1C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000502887758 942830055 /nfs/dbraw/zinc/83/00/55/942830055.db2.gz NOXCUXGBYOCKNF-UHFFFAOYSA-N 1 0 360.436 3.965 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000502900230 942841788 /nfs/dbraw/zinc/84/17/88/942841788.db2.gz SCWCVAWAIAAESQ-UHFFFAOYSA-N 1 0 361.555 3.708 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccc(C#N)cc1 ZINC000378552219 942882340 /nfs/dbraw/zinc/88/23/40/942882340.db2.gz PYMRAWYQTFPJJU-LIRRHRJNSA-N 1 0 361.424 3.621 20 30 FHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCC#N)c2ccc(Cl)cc2)c1 ZINC000273311816 942929456 /nfs/dbraw/zinc/92/94/56/942929456.db2.gz XAFLEECYIQBWTK-GOSISDBHSA-N 1 0 362.882 3.726 20 30 FHEDRO C=CCn1c(SCC[N@@H+](C)Cc2ccccc2)nnc1-c1ccco1 ZINC000430117193 942929805 /nfs/dbraw/zinc/92/98/05/942929805.db2.gz IJMDVIMIQTWKKE-UHFFFAOYSA-N 1 0 354.479 3.948 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@@H](O)c3ccccc3C2)cc1OCCCC#N ZINC000363885964 942966392 /nfs/dbraw/zinc/96/63/92/942966392.db2.gz HCWSNDFYLPQOBK-HXUWFJFHSA-N 1 0 366.461 3.817 20 30 FHEDRO N#Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000425203750 942981783 /nfs/dbraw/zinc/98/17/83/942981783.db2.gz GIGJKLJVBXOGGU-UHFFFAOYSA-N 1 0 350.422 3.585 20 30 FHEDRO N#Cc1cccc(CNC(=O)CN2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000434903061 943039057 /nfs/dbraw/zinc/03/90/57/943039057.db2.gz HIXDEKOFBYIICH-UHFFFAOYSA-N 1 0 365.864 3.617 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363913413 943043192 /nfs/dbraw/zinc/04/31/92/943043192.db2.gz HOLPMHHKWPYZSG-UONOGXRCSA-N 1 0 353.919 3.726 20 30 FHEDRO N#Cc1cccc([N+](=O)[O-])c1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000425256196 943069006 /nfs/dbraw/zinc/06/90/06/943069006.db2.gz RCGBWYLNMQMNSG-OAQYLSRUSA-N 1 0 362.433 3.569 20 30 FHEDRO CC(C)c1nnc2n1C[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC000271911590 943069519 /nfs/dbraw/zinc/06/95/19/943069519.db2.gz YBCQCXDRTUOHKD-LVIWNVNYSA-N 1 0 363.509 3.710 20 30 FHEDRO N#Cc1c2c(cnc1N1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)CCC2 ZINC000425268421 943123211 /nfs/dbraw/zinc/12/32/11/943123211.db2.gz ORFNRFXYKOERLG-UHFFFAOYSA-N 1 0 372.516 3.934 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)c1 ZINC000435052186 943124596 /nfs/dbraw/zinc/12/45/96/943124596.db2.gz SEZYZCFPBSOSLD-LJQANCHMSA-N 1 0 363.461 3.526 20 30 FHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000435063973 943137159 /nfs/dbraw/zinc/13/71/59/943137159.db2.gz DGCTZNYJKHQYRC-DCPHZVHLSA-N 1 0 352.409 3.789 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272419498 943153158 /nfs/dbraw/zinc/15/31/58/943153158.db2.gz LTVPFBZHQNRKBG-BFYDXBDKSA-N 1 0 358.511 3.639 20 30 FHEDRO C=CCC[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000435096035 943161166 /nfs/dbraw/zinc/16/11/66/943161166.db2.gz UKARKIXPPXTHBJ-FQEVSTJZSA-N 1 0 371.525 3.638 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1nccc2ccccc21)C(C)C ZINC000503416222 943173223 /nfs/dbraw/zinc/17/32/23/943173223.db2.gz QDTVUUTVPSFXLQ-NRFANRHFSA-N 1 0 366.509 3.733 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272639790 943191414 /nfs/dbraw/zinc/19/14/14/943191414.db2.gz CCAVTOLTKKLHMS-GJZGRUSLSA-N 1 0 358.511 3.853 20 30 FHEDRO CN(C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000435152277 943193431 /nfs/dbraw/zinc/19/34/31/943193431.db2.gz SMCQGYNIRZTERA-IBGZPJMESA-N 1 0 366.440 3.826 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000510025306 943209237 /nfs/dbraw/zinc/20/92/37/943209237.db2.gz BSLCQUHWLVWYLX-LJQANCHMSA-N 1 0 351.450 3.647 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(F)cc2C#N)[NH+]2CCCC2)o1 ZINC000435161639 943224198 /nfs/dbraw/zinc/22/41/98/943224198.db2.gz UBZBHXKDYLGYHG-KRWDZBQOSA-N 1 0 356.401 3.557 20 30 FHEDRO Cn1nccc1[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000514708943 943238032 /nfs/dbraw/zinc/23/80/32/943238032.db2.gz FPSOXTFQKMQGSN-INIZCTEOSA-N 1 0 363.383 3.550 20 30 FHEDRO N#C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000505660835 943322786 /nfs/dbraw/zinc/32/27/86/943322786.db2.gz LZQMRZLEKAMKDX-FQEVSTJZSA-N 1 0 367.880 3.933 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1 ZINC000505669295 943332745 /nfs/dbraw/zinc/33/27/45/943332745.db2.gz NWPRYYIOCAOWHV-UHFFFAOYSA-N 1 0 363.461 3.825 20 30 FHEDRO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000503765064 943362988 /nfs/dbraw/zinc/36/29/88/943362988.db2.gz MIOVRJUNJYGIJF-SFTDATJTSA-N 1 0 370.541 3.846 20 30 FHEDRO CCc1cccc[n+]1[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000364034347 943374071 /nfs/dbraw/zinc/37/40/71/943374071.db2.gz XNWCNVUWRVKVFX-QGZVFWFLSA-N 1 0 360.275 3.585 20 30 FHEDRO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425366049 943376072 /nfs/dbraw/zinc/37/60/72/943376072.db2.gz OHHFDLNGKZAGCA-CVEARBPZSA-N 1 0 352.434 3.692 20 30 FHEDRO CC(C)[N@@H+]1CCc2nc(CN(C)[C@@H](C)c3cccc(C#N)c3)sc2C1 ZINC000425368686 943380351 /nfs/dbraw/zinc/38/03/51/943380351.db2.gz XNACQHGAOZTJDA-HNNXBMFYSA-N 1 0 354.523 3.974 20 30 FHEDRO CC1CN(Cc2ccc(C#N)s2)CCN(Cc2ccc(C#N)s2)C1 ZINC000566429032 943382030 /nfs/dbraw/zinc/38/20/30/943382030.db2.gz OJRNDPZAMXZGFK-UHFFFAOYSA-N 1 0 356.520 3.507 20 30 FHEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000566436336 943409581 /nfs/dbraw/zinc/40/95/81/943409581.db2.gz GCNLJVJYHLKPDB-OAHLLOKOSA-N 1 0 367.424 3.557 20 30 FHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000566436786 943414556 /nfs/dbraw/zinc/41/45/56/943414556.db2.gz GCZVFFGMQVCDRM-HNNXBMFYSA-N 1 0 365.433 3.639 20 30 FHEDRO C=CC[C@H](C)C(=O)N1CCC[C@]2(CCC[N@H+](Cc3scnc3C)C2)C1 ZINC001269961525 943414939 /nfs/dbraw/zinc/41/49/39/943414939.db2.gz ZHYRRXBLXKZVBU-JXFKEZNVSA-N 1 0 361.555 3.868 20 30 FHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000566438290 943418168 /nfs/dbraw/zinc/41/81/68/943418168.db2.gz ZBXLZEWBXQZZDF-MRXNPFEDSA-N 1 0 363.461 3.726 20 30 FHEDRO C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCc1c[nH]c2ccccc12 ZINC001269959659 943419766 /nfs/dbraw/zinc/41/97/66/943419766.db2.gz IDBYBLPBJGUSJS-CZAAIQMYSA-N 1 0 351.494 3.598 20 30 FHEDRO C=CCCC[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000503945802 943429695 /nfs/dbraw/zinc/42/96/95/943429695.db2.gz OHTPNQCVRMVICS-KRWDZBQOSA-N 1 0 354.498 3.586 20 30 FHEDRO CC(C)C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[NH+](C)C ZINC000435507875 943449699 /nfs/dbraw/zinc/44/96/99/943449699.db2.gz PLMNPSMPHKEYFZ-KRWDZBQOSA-N 1 0 354.498 3.651 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1C#N ZINC000435547254 943480449 /nfs/dbraw/zinc/48/04/49/943480449.db2.gz CSZWVZVIGFDCEI-IBGZPJMESA-N 1 0 370.497 3.731 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1C#N ZINC000435552274 943483656 /nfs/dbraw/zinc/48/36/56/943483656.db2.gz QCRZYXSEKDLUAY-GOSISDBHSA-N 1 0 360.502 3.833 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H](N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)CC2 ZINC000423381372 943496462 /nfs/dbraw/zinc/49/64/62/943496462.db2.gz ZNVFYIFHSQPZLM-HBGVWJBISA-N 1 0 353.416 3.559 20 30 FHEDRO C=CCOc1cccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000515094509 943500960 /nfs/dbraw/zinc/50/09/60/943500960.db2.gz PQARIJFAWSBVEX-JOCHJYFZSA-N 1 0 355.453 3.818 20 30 FHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000515141829 943521942 /nfs/dbraw/zinc/52/19/42/943521942.db2.gz ZQGKDCVIEQEUDX-LEWJYISDSA-N 1 0 360.461 3.636 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000515161081 943539479 /nfs/dbraw/zinc/53/94/79/943539479.db2.gz SGVAWGNOIPKJBN-MRXNPFEDSA-N 1 0 364.449 3.949 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000435680175 943542405 /nfs/dbraw/zinc/54/24/05/943542405.db2.gz FCNUMANWZOYAQI-UHFFFAOYSA-N 1 0 351.450 3.622 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000417374655 943544135 /nfs/dbraw/zinc/54/41/35/943544135.db2.gz YINOJFYADVRISE-SFHVURJKSA-N 1 0 351.416 3.942 20 30 FHEDRO C=CCOc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccc2OC)cc1OC ZINC000515190301 943545792 /nfs/dbraw/zinc/54/57/92/943545792.db2.gz QRMAUWSCLDNWBT-UHFFFAOYSA-N 1 0 370.449 3.583 20 30 FHEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)C1 ZINC000582106034 943552886 /nfs/dbraw/zinc/55/28/86/943552886.db2.gz VDTDONRNKWYJMQ-ITBLURSFSA-N 1 0 366.436 3.859 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000509976866 943568588 /nfs/dbraw/zinc/56/85/88/943568588.db2.gz JCUDTVJKRINORJ-APWZRJJASA-N 1 0 353.491 3.741 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000435735035 943587342 /nfs/dbraw/zinc/58/73/42/943587342.db2.gz ISSAZNGFRDQSPB-PXAZEXFGSA-N 1 0 367.280 3.645 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000435745388 943594694 /nfs/dbraw/zinc/59/46/94/943594694.db2.gz MLAJLOLXEOQBQG-IRLDBZIGSA-N 1 0 353.510 3.927 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000435746261 943595478 /nfs/dbraw/zinc/59/54/78/943595478.db2.gz VRNGZLFXJFIZDH-BPAFIMBUSA-N 1 0 365.901 3.969 20 30 FHEDRO C=CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccccc1 ZINC000435763057 943596718 /nfs/dbraw/zinc/59/67/18/943596718.db2.gz KOUHHYDAMHTHCJ-OAQYLSRUSA-N 1 0 366.509 3.862 20 30 FHEDRO CCCC[NH+]1CCC(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000504424427 943619223 /nfs/dbraw/zinc/61/92/23/943619223.db2.gz OSLLABSTARQAOO-UHFFFAOYSA-N 1 0 366.509 3.621 20 30 FHEDRO N#Cc1c(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cn2ccccc12 ZINC000511628984 943619671 /nfs/dbraw/zinc/61/96/71/943619671.db2.gz ZLUARLIMQRDJMR-MQSCRBSSSA-N 1 0 357.457 3.815 20 30 FHEDRO Cc1ccc(Cc2cnc(NC(=O)[C@@H]([NH3+])CCCC#N)s2)cc1Cl ZINC000424069694 943707878 /nfs/dbraw/zinc/70/78/78/943707878.db2.gz QJCMGVAHNHONNB-HNNXBMFYSA-N 1 0 362.886 3.655 20 30 FHEDRO C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424087265 943723070 /nfs/dbraw/zinc/72/30/70/943723070.db2.gz DIOUMXNFYYQHRN-WBMJQRKESA-N 1 0 353.388 3.779 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000424087718 943723785 /nfs/dbraw/zinc/72/37/85/943723785.db2.gz FKJLRGFMRPRXMV-MSOLQXFVSA-N 1 0 359.832 3.706 20 30 FHEDRO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424109074 943735608 /nfs/dbraw/zinc/73/56/08/943735608.db2.gz ZFGSBCFGOJHPSU-HNNXBMFYSA-N 1 0 371.412 3.895 20 30 FHEDRO CC(C)(C)[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424116652 943740388 /nfs/dbraw/zinc/74/03/88/943740388.db2.gz XRUQETVZHMCIBV-LSDHHAIUSA-N 1 0 355.404 3.930 20 30 FHEDRO Cc1cc(CNC(=O)[C@@H]([NH3+])CCCC#N)ccc1Oc1ccc(F)cc1 ZINC000424117396 943740404 /nfs/dbraw/zinc/74/04/04/943740404.db2.gz ZDJUMTQIQSZBNP-SFHVURJKSA-N 1 0 355.413 3.564 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000424119719 943742379 /nfs/dbraw/zinc/74/23/79/943742379.db2.gz GDSZNTIZYGOBEU-INIZCTEOSA-N 1 0 357.841 3.879 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000424162233 943768435 /nfs/dbraw/zinc/76/84/35/943768435.db2.gz YFJCNCVHHJDYEI-QGZVFWFLSA-N 1 0 368.308 3.796 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000424169420 943772386 /nfs/dbraw/zinc/77/23/86/943772386.db2.gz HQTIYCKTFYQMIT-PXNSSMCTSA-N 1 0 359.901 3.882 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000424169970 943773455 /nfs/dbraw/zinc/77/34/55/943773455.db2.gz IKOXSEQEKIBSSC-GJZGRUSLSA-N 1 0 359.388 3.707 20 30 FHEDRO C[NH+](C)Cc1cccc(CNC(=O)c2cn(CCCC#N)c3ccccc23)c1 ZINC000435816461 943773509 /nfs/dbraw/zinc/77/35/09/943773509.db2.gz JRVMGAURBOQPSJ-UHFFFAOYSA-N 1 0 374.488 3.937 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000424174363 943774050 /nfs/dbraw/zinc/77/40/50/943774050.db2.gz OETGRRGMIGGXNE-YOEHRIQHSA-N 1 0 351.372 3.572 20 30 FHEDRO CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424199106 943783631 /nfs/dbraw/zinc/78/36/31/943783631.db2.gz PSTAKVGJWJFLEL-XJKSGUPXSA-N 1 0 367.287 3.646 20 30 FHEDRO COc1ccc(OCC[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437416554 943789113 /nfs/dbraw/zinc/78/91/13/943789113.db2.gz HVYNCFYVYSTMFX-UHFFFAOYSA-N 1 0 362.376 3.679 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(F)cc1Cl ZINC000516908268 943806163 /nfs/dbraw/zinc/80/61/63/943806163.db2.gz FLANYKBJUSRCHK-BBRMVZONSA-N 1 0 362.832 3.636 20 30 FHEDRO CC[C@H](C)c1nnc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000515343201 943808152 /nfs/dbraw/zinc/80/81/52/943808152.db2.gz DWCVXGHLMOAIND-LSDHHAIUSA-N 1 0 352.486 3.509 20 30 FHEDRO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCC[C@H](C)C1 ZINC000435881700 943815759 /nfs/dbraw/zinc/81/57/59/943815759.db2.gz BNNYSKWFCMFJKN-ROUUACIJSA-N 1 0 366.509 3.795 20 30 FHEDRO C=CCn1cc(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000424289886 943821231 /nfs/dbraw/zinc/82/12/31/943821231.db2.gz AMSUIVPCBDMREV-ZBFHGGJFSA-N 1 0 350.388 3.909 20 30 FHEDRO C=CCCCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435867170 943821417 /nfs/dbraw/zinc/82/14/17/943821417.db2.gz ZQMALXANOCKOHP-UHFFFAOYSA-N 1 0 353.510 3.832 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000424290347 943821457 /nfs/dbraw/zinc/82/14/57/943821457.db2.gz BMGYOSZZRNOXHK-WWGRRREGSA-N 1 0 356.388 3.603 20 30 FHEDRO C=CCn1cc(C[NH2+][C@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)nn1 ZINC000424293381 943822072 /nfs/dbraw/zinc/82/20/72/943822072.db2.gz IOVUIWFPGAIELW-NEPJUHHUSA-N 1 0 355.269 3.717 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)CC1 ZINC000516913398 943822540 /nfs/dbraw/zinc/82/25/40/943822540.db2.gz ZPHDVTBANQTOBM-QZNJRLLKSA-N 1 0 365.521 3.821 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2[C@H](C)CC[C@H]2C)c1C#N ZINC000123015833 943823191 /nfs/dbraw/zinc/82/31/91/943823191.db2.gz LXFNPEZWASUCFZ-HUUCEWRRSA-N 1 0 368.481 3.819 20 30 FHEDRO CC1(C#N)CC[NH+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000506051392 943830630 /nfs/dbraw/zinc/83/06/30/943830630.db2.gz KFUFXEITCVWADE-SFHVURJKSA-N 1 0 366.461 3.844 20 30 FHEDRO COC(=O)c1cnc([C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000424329613 943846313 /nfs/dbraw/zinc/84/63/13/943846313.db2.gz PPPHBZAYEGGZDV-PCVOSPCESA-N 1 0 369.490 3.984 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1cccc(F)c1 ZINC000506059315 943885185 /nfs/dbraw/zinc/88/51/85/943885185.db2.gz GSBUVTOCEXMZMG-LJQANCHMSA-N 1 0 371.431 3.533 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCC2([NH3+])CCC2)cc1Cl ZINC000414907579 943892775 /nfs/dbraw/zinc/89/27/75/943892775.db2.gz PRYLRXQCNXKHEE-KRWDZBQOSA-N 1 0 368.868 3.998 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)NCCc1cccc(C#N)c1)c1ccsc1 ZINC000584487218 943898078 /nfs/dbraw/zinc/89/80/78/943898078.db2.gz RUZFYFPSFIZZDK-LJQANCHMSA-N 1 0 370.522 3.545 20 30 FHEDRO C[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000458850486 943929620 /nfs/dbraw/zinc/92/96/20/943929620.db2.gz UPVCGIZDEHOBPW-GHTZIAJQSA-N 1 0 368.525 3.937 20 30 FHEDRO C=CCn1c(CC2CC2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000517058999 943941877 /nfs/dbraw/zinc/94/18/77/943941877.db2.gz NFZNFANYRDHZQF-UHFFFAOYSA-N 1 0 357.546 3.509 20 30 FHEDRO Cc1ccccc1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000504978996 943949368 /nfs/dbraw/zinc/94/93/68/943949368.db2.gz KPRKATJUPRFWCS-UHFFFAOYSA-N 1 0 361.489 3.534 20 30 FHEDRO N#CCC[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000417920173 943953012 /nfs/dbraw/zinc/95/30/12/943953012.db2.gz QNIBHFYQVKBCIB-PMACEKPBSA-N 1 0 350.466 3.811 20 30 FHEDRO C=CCCO[C@H](C)C(=O)N(CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000505001257 943954188 /nfs/dbraw/zinc/95/41/88/943954188.db2.gz QQEBLKLEGZVGRV-CTNGQTDRSA-N 1 0 358.526 3.871 20 30 FHEDRO C=CCC1(C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)CCOCC1 ZINC000424581307 943978075 /nfs/dbraw/zinc/97/80/75/943978075.db2.gz FODPJEFGCHWGNU-QGZVFWFLSA-N 1 0 350.528 3.620 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000505036410 943992975 /nfs/dbraw/zinc/99/29/75/943992975.db2.gz WSYSVNGTXLRTFV-UHFFFAOYSA-N 1 0 366.465 3.563 20 30 FHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(C4(C#N)CC4)cc3)cccc21 ZINC000515570193 944002582 /nfs/dbraw/zinc/00/25/82/944002582.db2.gz BSTJTYYMQHOMRM-LJQANCHMSA-N 1 0 361.445 3.879 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000417982491 944036173 /nfs/dbraw/zinc/03/61/73/944036173.db2.gz KWEAAAZHAZKQLM-NRFANRHFSA-N 1 0 362.477 3.542 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417999684 944048425 /nfs/dbraw/zinc/04/84/25/944048425.db2.gz VCPQQQQDZAXFSR-VWKPWSFCSA-N 1 0 362.477 3.665 20 30 FHEDRO C=C(C)C(C)(C)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000424702841 944076334 /nfs/dbraw/zinc/07/63/34/944076334.db2.gz KFPJIJCZMGYJGS-UHFFFAOYSA-N 1 0 358.526 3.776 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[NH2+]1 ZINC000414912946 944088463 /nfs/dbraw/zinc/08/84/63/944088463.db2.gz VJDHZQDDZFLEGF-KBXCAEBGSA-N 1 0 368.868 3.821 20 30 FHEDRO C=CCC1(C(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)CCOCC1 ZINC000424754811 944097658 /nfs/dbraw/zinc/09/76/58/944097658.db2.gz NKMRTFQALKTWIL-UHFFFAOYSA-N 1 0 364.574 3.966 20 30 FHEDRO C[NH+](C)C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000500102689 944099425 /nfs/dbraw/zinc/09/94/25/944099425.db2.gz OTLGJEWWBFKLQZ-VQTJNVASSA-N 1 0 368.456 3.773 20 30 FHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1SCCC[NH+]1CCCC1 ZINC000436211628 944102483 /nfs/dbraw/zinc/10/24/83/944102483.db2.gz RLKDDHMCFWJSEB-UHFFFAOYSA-N 1 0 372.538 3.930 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)c2cccs2)CC1 ZINC000517218148 944112430 /nfs/dbraw/zinc/11/24/30/944112430.db2.gz DCDDMCCYYLQMAB-OKZBNKHCSA-N 1 0 374.554 3.903 20 30 FHEDRO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000500125208 944140420 /nfs/dbraw/zinc/14/04/20/944140420.db2.gz TVQRCGZGUARYDT-FQEVSTJZSA-N 1 0 356.514 3.939 20 30 FHEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000436265716 944156871 /nfs/dbraw/zinc/15/68/71/944156871.db2.gz MOOKAYARTGMNDA-RTBURBONSA-N 1 0 363.546 3.635 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000436299612 944183345 /nfs/dbraw/zinc/18/33/45/944183345.db2.gz KHMSCVWGYYGQHV-JQHSSLGASA-N 1 0 350.300 3.877 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000436313304 944192054 /nfs/dbraw/zinc/19/20/54/944192054.db2.gz WGXKKRWQPOPJLN-XPKDYRNWSA-N 1 0 371.262 3.923 20 30 FHEDRO C=CC[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F ZINC000515772371 944195739 /nfs/dbraw/zinc/19/57/39/944195739.db2.gz SRVXYYPUQFIQGV-UHFFFAOYSA-N 1 0 352.409 3.500 20 30 FHEDRO COc1ccc(C[NH2+][C@H]2C[C@H](CO)c3ccccc32)cc1OCCCC#N ZINC000364272831 944197074 /nfs/dbraw/zinc/19/70/74/944197074.db2.gz SDHSXOAAULBNES-XLIONFOSSA-N 1 0 366.461 3.688 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c([N+](=O)[O-])cc1OC ZINC000418147189 944208924 /nfs/dbraw/zinc/20/89/24/944208924.db2.gz QOCHKVRYBPLNTF-KRWDZBQOSA-N 1 0 367.405 3.651 20 30 FHEDRO COc1ccc(CN(C)C(C)(C)C[NH+]2CCCC2)cc1OCCCC#N ZINC000418148490 944209717 /nfs/dbraw/zinc/20/97/17/944209717.db2.gz SZOZXORFKZTSIN-UHFFFAOYSA-N 1 0 359.514 3.684 20 30 FHEDRO C=CC[NH+]1CCC(Nc2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000517331875 944225861 /nfs/dbraw/zinc/22/58/61/944225861.db2.gz VEJDUXJDTMLUHA-UHFFFAOYSA-N 1 0 350.491 3.843 20 30 FHEDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000425533747 944260407 /nfs/dbraw/zinc/26/04/07/944260407.db2.gz LBSBHPGIZIYTLD-HNNXBMFYSA-N 1 0 366.421 3.797 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000437982952 944267022 /nfs/dbraw/zinc/26/70/22/944267022.db2.gz GMWFKPGZDUGCPS-SFTDATJTSA-N 1 0 373.541 3.521 20 30 FHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000418211412 944268890 /nfs/dbraw/zinc/26/88/90/944268890.db2.gz IHEUGFLBWSWQIF-JXFKEZNVSA-N 1 0 350.466 3.941 20 30 FHEDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000418213915 944275549 /nfs/dbraw/zinc/27/55/49/944275549.db2.gz LFJPSWIYTHWMEJ-WOJBJXKFSA-N 1 0 368.525 3.841 20 30 FHEDRO N#CCCC[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000418215366 944275617 /nfs/dbraw/zinc/27/56/17/944275617.db2.gz MSKRSFDGICWDKF-FQEVSTJZSA-N 1 0 356.514 3.972 20 30 FHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)sc2c1CCCCC2 ZINC000518331922 944280690 /nfs/dbraw/zinc/28/06/90/944280690.db2.gz WVQQSRGKQCUKLZ-UKPHBRMFSA-N 1 0 357.523 3.995 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000364312323 944296426 /nfs/dbraw/zinc/29/64/26/944296426.db2.gz XFEUOLGYFSXDDS-VDZJLULYSA-N 1 0 351.874 3.807 20 30 FHEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000518341204 944299101 /nfs/dbraw/zinc/29/91/01/944299101.db2.gz FQTSBGNJKYIRQJ-KRWDZBQOSA-N 1 0 360.889 3.648 20 30 FHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cc(C#N)cs3)c2)CC1 ZINC000438055973 944302181 /nfs/dbraw/zinc/30/21/81/944302181.db2.gz GPDSODSURLILAV-UHFFFAOYSA-N 1 0 353.491 3.782 20 30 FHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000092696071 944312183 /nfs/dbraw/zinc/31/21/83/944312183.db2.gz OEPRVGVTCXVVBG-UHFFFAOYSA-N 1 0 365.437 3.604 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000438073005 944315255 /nfs/dbraw/zinc/31/52/55/944315255.db2.gz NJDLCLRVZJPUGD-PMACEKPBSA-N 1 0 365.562 3.511 20 30 FHEDRO CC1(C)C[N@@H+](C2(CNc3ccc([N+](=O)[O-])cc3C#N)CCCCC2)CCO1 ZINC000517490132 944333770 /nfs/dbraw/zinc/33/37/70/944333770.db2.gz IKYSVXIFPMOTGJ-UHFFFAOYSA-N 1 0 372.469 3.692 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCCNc1cccc([C@@H](C#N)C(=O)OC(C)(C)C)n1 ZINC001167750870 944334633 /nfs/dbraw/zinc/33/46/33/944334633.db2.gz FDRXAKNCSJMMEJ-DLBZAZTESA-N 1 0 372.513 3.707 20 30 FHEDRO [NH3+]CC[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000414983326 944358671 /nfs/dbraw/zinc/35/86/71/944358671.db2.gz BTKNOFIEGLOQHS-JTQLQIEISA-N 1 0 350.253 3.796 20 30 FHEDRO C=CCc1cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000506495359 944376418 /nfs/dbraw/zinc/37/64/18/944376418.db2.gz LFZSKHDUXFQUMF-NRFANRHFSA-N 1 0 366.505 3.836 20 30 FHEDRO COc1ccccc1[C@@H](CNc1nc(C)ccc1C#N)[NH+]1CCCCC1 ZINC000500278233 944389798 /nfs/dbraw/zinc/38/97/98/944389798.db2.gz YKOKEQFVAQQBDM-LJQANCHMSA-N 1 0 350.466 3.909 20 30 FHEDRO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H](CCO)c1ccccc1 ZINC000438187657 944404871 /nfs/dbraw/zinc/40/48/71/944404871.db2.gz IGLDUFJZQWOSQP-IBGZPJMESA-N 1 0 363.379 3.992 20 30 FHEDRO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2Cl)cc1OCCCC#N ZINC000123805024 944433199 /nfs/dbraw/zinc/43/31/99/944433199.db2.gz HNNQXZNVMHVZIV-SFHVURJKSA-N 1 0 374.868 3.854 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000049795290 944437367 /nfs/dbraw/zinc/43/73/67/944437367.db2.gz PBABJMLEYYDMLE-GOSISDBHSA-N 1 0 357.523 3.619 20 30 FHEDRO COCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCSC1 ZINC000566650184 944472009 /nfs/dbraw/zinc/47/20/09/944472009.db2.gz RLOKAVDVBDUSJB-OAHLLOKOSA-N 1 0 358.429 3.921 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000187908968 944504688 /nfs/dbraw/zinc/50/46/88/944504688.db2.gz IIQHFZCDGYPCER-IRLDBZIGSA-N 1 0 374.525 3.567 20 30 FHEDRO CCOC(=O)COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000506542761 944523285 /nfs/dbraw/zinc/52/32/85/944523285.db2.gz WVWPNPGVPPJZMH-UHFFFAOYSA-N 1 0 364.445 3.665 20 30 FHEDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000439320067 944525980 /nfs/dbraw/zinc/52/59/80/944525980.db2.gz OAKJYHFOYBNVAW-JRGCBEDISA-N 1 0 350.462 3.566 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000438362696 944533690 /nfs/dbraw/zinc/53/36/90/944533690.db2.gz IDNHFWXHUPUNGT-QHCPKHFHSA-N 1 0 372.468 3.830 20 30 FHEDRO N#CCC[C@H](C#N)CN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000112203823 944537961 /nfs/dbraw/zinc/53/79/61/944537961.db2.gz LCKRBJYMCLNDLQ-NMJFEHLSSA-N 1 0 354.542 3.654 20 30 FHEDRO COc1ccc2oc(C[N@H+](C)CCOCc3ccc(C#N)cc3)cc2c1 ZINC000517726272 944540408 /nfs/dbraw/zinc/54/04/08/944540408.db2.gz FZCFMRTVRJKHRZ-UHFFFAOYSA-N 1 0 350.418 3.962 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCc4cc(Cl)ccc43)C2=O)cc1 ZINC000506217567 944552992 /nfs/dbraw/zinc/55/29/92/944552992.db2.gz JKVYSMBURWXTGC-PMACEKPBSA-N 1 0 365.864 3.984 20 30 FHEDRO COC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000516200538 944572266 /nfs/dbraw/zinc/57/22/66/944572266.db2.gz QDDRJRFRFIQAFG-OAQYLSRUSA-N 1 0 371.431 3.783 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(c2cccc(OC)c2)CCCC1 ZINC000518667052 944589303 /nfs/dbraw/zinc/58/93/03/944589303.db2.gz PHZDHYJBPXHKDC-GOSISDBHSA-N 1 0 358.526 3.910 20 30 FHEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)c3ccc(Cl)c(F)c3)CC2)c1 ZINC000759863367 944620222 /nfs/dbraw/zinc/62/02/22/944620222.db2.gz OLYQZPPSWWNWTK-FQEVSTJZSA-N 1 0 374.843 3.928 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516245336 944629372 /nfs/dbraw/zinc/62/93/72/944629372.db2.gz GZDYAPZRSVDBJN-OTWHNJEPSA-N 1 0 373.541 3.759 20 30 FHEDRO C[C@@H](C[N@H+](C)CC(=O)Nc1ccccc1SCC#N)c1ccccc1 ZINC000066854007 944632239 /nfs/dbraw/zinc/63/22/39/944632239.db2.gz HZKLIDMYCUYWOD-INIZCTEOSA-N 1 0 353.491 3.976 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000517800616 944640278 /nfs/dbraw/zinc/64/02/78/944640278.db2.gz QFMZOZKWPUKODE-NZQKXSOJSA-N 1 0 373.500 3.964 20 30 FHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418465138 944654085 /nfs/dbraw/zinc/65/40/85/944654085.db2.gz QCBJFZFOJFLUHK-OAHLLOKOSA-N 1 0 368.437 3.512 20 30 FHEDRO C=CCOc1cccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000506248142 944667761 /nfs/dbraw/zinc/66/77/61/944667761.db2.gz VJKLWQTWIJMBLU-UHFFFAOYSA-N 1 0 361.489 3.831 20 30 FHEDRO N#CCOc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000048516192 944669044 /nfs/dbraw/zinc/66/90/44/944669044.db2.gz OTZWUDGZQXQZLW-UHFFFAOYSA-N 1 0 364.449 3.506 20 30 FHEDRO Cc1cccc2c1C[N@H+](Cc1cc(=O)n3c4ccccc4[nH]c3c1C#N)CC2 ZINC000759881928 944719070 /nfs/dbraw/zinc/71/90/70/944719070.db2.gz ZNBDKJQKARKZKR-SFHVURJKSA-N 1 0 368.440 3.590 20 30 FHEDRO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc(OC)c1 ZINC000516347542 944754130 /nfs/dbraw/zinc/75/41/30/944754130.db2.gz BILCLUBRSVSBKL-UHFFFAOYSA-N 1 0 370.424 3.758 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000506613860 944754581 /nfs/dbraw/zinc/75/45/81/944754581.db2.gz FKRHOLLLKAJFSO-IRXDYDNUSA-N 1 0 350.462 3.707 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)C12CCCCC2 ZINC000516376654 944778874 /nfs/dbraw/zinc/77/88/74/944778874.db2.gz KMRVSNQUCIXLRL-KFKAGJAMSA-N 1 0 355.482 3.603 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000517890621 944798940 /nfs/dbraw/zinc/79/89/40/944798940.db2.gz ANOYUDXJTOLVDW-KRWDZBQOSA-N 1 0 364.449 3.875 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000425651625 944799922 /nfs/dbraw/zinc/79/99/22/944799922.db2.gz YIADERWBGSXPTQ-QRWLVFNGSA-N 1 0 368.456 3.703 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000517911365 944811696 /nfs/dbraw/zinc/81/16/96/944811696.db2.gz MVOYGROWLSXTOZ-RBBKRZOGSA-N 1 0 358.526 3.634 20 30 FHEDRO C[C@]12C[N@H+](CC(=O)Nc3ccccc3SCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000516395712 944814515 /nfs/dbraw/zinc/81/45/15/944814515.db2.gz FSTNJKTXZAHENQ-UIVXKWKOSA-N 1 0 355.507 3.609 20 30 FHEDRO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000506295444 944834075 /nfs/dbraw/zinc/83/40/75/944834075.db2.gz QRQUGHOQWRXBID-IBGZPJMESA-N 1 0 364.445 3.522 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438641009 944875757 /nfs/dbraw/zinc/87/57/57/944875757.db2.gz KJDWSZUVYOJUGQ-LBPRGKRZSA-N 1 0 354.376 3.573 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000425672508 944878594 /nfs/dbraw/zinc/87/85/94/944878594.db2.gz KMMAUZIIYSACNI-IHPCNDPISA-N 1 0 371.525 3.540 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Sc3ccccn3)cc2)CC1 ZINC000517988752 944898222 /nfs/dbraw/zinc/89/82/22/944898222.db2.gz VIKMTHDTTCUUPW-UHFFFAOYSA-N 1 0 353.491 3.613 20 30 FHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000506654899 944898673 /nfs/dbraw/zinc/89/86/73/944898673.db2.gz QSHABPAHODIRMW-KSSFIOAISA-N 1 0 367.449 3.643 20 30 FHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCC(=O)Nc1cccc(Cl)c1 ZINC000516509493 944959169 /nfs/dbraw/zinc/95/91/69/944959169.db2.gz RDNHACAYTNAOCF-UHFFFAOYSA-N 1 0 371.868 3.689 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000518966772 944984755 /nfs/dbraw/zinc/98/47/55/944984755.db2.gz PKLIQVAMODKWHZ-SFHVURJKSA-N 1 0 367.493 3.571 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511742090 944991034 /nfs/dbraw/zinc/99/10/34/944991034.db2.gz KHJAONOGIMBWSF-OAQYLSRUSA-N 1 0 361.489 3.897 20 30 FHEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000518977938 945000327 /nfs/dbraw/zinc/00/03/27/945000327.db2.gz PZXDTKPJRRBNJW-UHFFFAOYSA-N 1 0 351.406 3.946 20 30 FHEDRO CCOC(=O)COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000507152214 945002418 /nfs/dbraw/zinc/00/24/18/945002418.db2.gz QISQNGMLYAGRCG-UHFFFAOYSA-N 1 0 366.461 3.911 20 30 FHEDRO CC(C)(C[NH3+])NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414897786 945004528 /nfs/dbraw/zinc/00/45/28/945004528.db2.gz CSOPBSURVNBHPW-INIZCTEOSA-N 1 0 356.857 3.854 20 30 FHEDRO CCC1(C)CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000507177296 945009017 /nfs/dbraw/zinc/00/90/17/945009017.db2.gz CUFORAVKFHXXDS-QGZVFWFLSA-N 1 0 357.498 3.842 20 30 FHEDRO Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000519594074 945026547 /nfs/dbraw/zinc/02/65/47/945026547.db2.gz CWGSXWAITBHNKR-BWKHYTDRSA-N 1 0 364.489 3.744 20 30 FHEDRO N#Cc1ccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c(OC(F)F)c1 ZINC000437138126 945048985 /nfs/dbraw/zinc/04/89/85/945048985.db2.gz PBUHJKUQWBBTPB-SFHVURJKSA-N 1 0 358.388 3.641 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000507230560 945052314 /nfs/dbraw/zinc/05/23/14/945052314.db2.gz OJWKSBPLXBXWCZ-LSDHHAIUSA-N 1 0 368.506 3.878 20 30 FHEDRO C[N@H+](CCNC(=O)Nc1ccc(C#N)cc1Cl)Cc1ccc(F)cc1 ZINC000426162696 945056600 /nfs/dbraw/zinc/05/66/00/945056600.db2.gz QBHXHJXBRRDOKP-UHFFFAOYSA-N 1 0 360.820 3.604 20 30 FHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000507612459 945374506 /nfs/dbraw/zinc/37/45/06/945374506.db2.gz CJQIRBOHGJZPRI-YLJYHZDGSA-N 1 0 350.462 3.817 20 30 FHEDRO CC[C@H](C)[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330207830 945402978 /nfs/dbraw/zinc/40/29/78/945402978.db2.gz AOSOAPKOELXSTP-IJXRJRJASA-N 1 0 365.562 3.569 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CCCC1 ZINC000330251672 945426292 /nfs/dbraw/zinc/42/62/92/945426292.db2.gz HWAQWGFVRQEYLM-UHFFFAOYSA-N 1 0 352.891 3.971 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1Br ZINC000330258635 945429251 /nfs/dbraw/zinc/42/92/51/945429251.db2.gz MQJPCSISNARLHJ-COLVAYQJSA-N 1 0 353.260 3.583 20 30 FHEDRO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330263852 945432625 /nfs/dbraw/zinc/43/26/25/945432625.db2.gz XCGVTLNWIHSXLP-RDJZCZTQSA-N 1 0 353.466 3.960 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC(=O)c2ccccc21)C(C)C ZINC000550294040 945443442 /nfs/dbraw/zinc/44/34/42/945443442.db2.gz YXXOVIIWBVWBQV-VQTJNVASSA-N 1 0 354.494 3.562 20 30 FHEDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000729439615 945525503 /nfs/dbraw/zinc/52/55/03/945525503.db2.gz DVBMBVMMHHGYLV-UHFFFAOYSA-N 1 0 364.493 3.570 20 30 FHEDRO N#CC1(CCC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000281296609 945590693 /nfs/dbraw/zinc/59/06/93/945590693.db2.gz JQCGGCVZBOMXLE-ROUUACIJSA-N 1 0 366.864 3.999 20 30 FHEDRO C[NH+](C)C1(CNC(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCCCC1 ZINC000330337336 945606641 /nfs/dbraw/zinc/60/66/41/945606641.db2.gz ZWQVXRBWEYZKOW-QGZVFWFLSA-N 1 0 351.535 3.636 20 30 FHEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)N2CCCC2)o1 ZINC000262027079 945618064 /nfs/dbraw/zinc/61/80/64/945618064.db2.gz ZWQRNSKFXWLOQF-LJQANCHMSA-N 1 0 352.482 3.640 20 30 FHEDRO N#CC1(CCC[NH+]2CCC(O)(c3ccccc3Cl)CC2)CCOCC1 ZINC000281444885 945644676 /nfs/dbraw/zinc/64/46/76/945644676.db2.gz UGHRBUHIPCTXTL-UHFFFAOYSA-N 1 0 362.901 3.724 20 30 FHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000651687937 945663759 /nfs/dbraw/zinc/66/37/59/945663759.db2.gz VXTJCZDSGKODNI-IKVWTGGYSA-N 1 0 356.510 3.770 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000661114966 945737136 /nfs/dbraw/zinc/73/71/36/945737136.db2.gz NKDKQHXXXYHMEN-KBPBESRZSA-N 1 0 360.483 3.770 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000661115492 945739585 /nfs/dbraw/zinc/73/95/85/945739585.db2.gz CYMGIQWYGMYMCN-PXNSSMCTSA-N 1 0 371.525 3.832 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000661118272 945744690 /nfs/dbraw/zinc/74/46/90/945744690.db2.gz XFEQSWFJIHTBAH-RDJZCZTQSA-N 1 0 358.511 3.656 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000661116966 945747807 /nfs/dbraw/zinc/74/78/07/945747807.db2.gz AJCIYAROYJCRBD-YLJYHZDGSA-N 1 0 371.525 3.832 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000661116756 945748711 /nfs/dbraw/zinc/74/87/11/945748711.db2.gz ZWEKGQXLTWEMJR-KXBFYZLASA-N 1 0 374.506 3.970 20 30 FHEDRO C#CC[C@H](NC(=O)N1CCC(Oc2ccncc2C)CC1)c1ccccc1 ZINC000278842148 945754112 /nfs/dbraw/zinc/75/41/12/945754112.db2.gz VZRKJLDLQGUMLG-FQEVSTJZSA-N 1 0 363.461 3.707 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000519808341 945774740 /nfs/dbraw/zinc/77/47/40/945774740.db2.gz JGFZMXBWUIRQGW-PBHICJAKSA-N 1 0 366.490 3.971 20 30 FHEDRO CC[NH+]=C(NCc1ccc(C(F)(F)F)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262367179 945774848 /nfs/dbraw/zinc/77/48/48/945774848.db2.gz DUMKLWSWCRJCIT-ARFHVFGLSA-N 1 0 369.431 3.574 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1CCC(C#N)CC1 ZINC000281630878 945791834 /nfs/dbraw/zinc/79/18/34/945791834.db2.gz ICSKWYIPFPQIJD-UHFFFAOYSA-N 1 0 356.514 3.656 20 30 FHEDRO CCc1cnc(CNC(NCc2oc3ccc(F)cc3c2C)=[NH+]C)s1 ZINC000262375167 945814389 /nfs/dbraw/zinc/81/43/89/945814389.db2.gz JHOVVDPNJCSJLW-UHFFFAOYSA-N 1 0 360.458 3.764 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000044802703 945823532 /nfs/dbraw/zinc/82/35/32/945823532.db2.gz JTEVCLOJTZKNRA-OLZOCXBDSA-N 1 0 359.376 3.837 20 30 FHEDRO CC(C)[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000519907781 945872607 /nfs/dbraw/zinc/87/26/07/945872607.db2.gz DAEKCSWPEFBZLD-UHFFFAOYSA-N 1 0 355.869 3.738 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000519923858 945901949 /nfs/dbraw/zinc/90/19/49/945901949.db2.gz SIOCXCBIXCVZAA-MOPGFXCFSA-N 1 0 370.541 3.846 20 30 FHEDRO N#CC1(CCC[NH+]2CCN(Cc3ccccc3Cl)CC2)CCOCC1 ZINC000281895474 945908063 /nfs/dbraw/zinc/90/80/63/945908063.db2.gz FBSKBEGHIGYJKP-UHFFFAOYSA-N 1 0 361.917 3.558 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000473689840 945961780 /nfs/dbraw/zinc/96/17/80/945961780.db2.gz JBOPLIZZRKLCHW-QFIPXVFZSA-N 1 0 358.526 3.586 20 30 FHEDRO CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=[NH2+])Nc1cccc(C)c1)O[C@@H](C)C2 ZINC000262503875 945970969 /nfs/dbraw/zinc/97/09/69/945970969.db2.gz ATODUYJIASYGNS-UCLAIMLFSA-N 1 0 365.477 4.000 20 30 FHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1c(C)cc(C#N)cc1C ZINC001271405246 946000134 /nfs/dbraw/zinc/00/01/34/946000134.db2.gz UNKLSDOCDDGXMX-GMAHTHKFSA-N 1 0 373.500 3.861 20 30 FHEDRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC001126576762 946006327 /nfs/dbraw/zinc/00/63/27/946006327.db2.gz RXMLVGZXEBBYOQ-OTDUKCBNSA-N 1 0 359.473 3.867 20 30 FHEDRO Cc1ccc([C@H]2CSCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000444163687 946007508 /nfs/dbraw/zinc/00/75/08/946007508.db2.gz YREPCBHVWOKNRW-HXUWFJFHSA-N 1 0 365.502 3.985 20 30 FHEDRO COc1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000262403079 946020262 /nfs/dbraw/zinc/02/02/62/946020262.db2.gz ZWRQZTZHNNIAQU-SNVBAGLBSA-N 1 0 353.253 3.563 20 30 FHEDRO C=CC[C@]1(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)CCC[NH2+]1 ZINC000662801516 946021140 /nfs/dbraw/zinc/02/11/40/946021140.db2.gz UNMCBMMLUSRQIB-GOSISDBHSA-N 1 0 352.400 3.552 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCCO[C@H]2C(C)(C)C)cc1Cl ZINC000262506368 946057145 /nfs/dbraw/zinc/05/71/45/946057145.db2.gz BORSJOFUNWRZBM-MLGOLLRUSA-N 1 0 353.894 3.917 20 30 FHEDRO CCC(CC)[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000045533357 946065546 /nfs/dbraw/zinc/06/55/46/946065546.db2.gz HWSONMQIFWPPMW-HXUWFJFHSA-N 1 0 356.514 3.600 20 30 FHEDRO CCC[N@H+](CCOc1cccc(C#N)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729483662 946074084 /nfs/dbraw/zinc/07/40/84/946074084.db2.gz KCGVEDTWXPKYFM-GOSISDBHSA-N 1 0 373.497 3.658 20 30 FHEDRO C[C@@H](CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)OCc1ccccc1 ZINC000475058556 946078129 /nfs/dbraw/zinc/07/81/29/946078129.db2.gz ZBEUYCANBAZSDU-FQEVSTJZSA-N 1 0 363.505 3.671 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000661419500 946088785 /nfs/dbraw/zinc/08/87/85/946088785.db2.gz RJWVXWSCOLERFR-LEWJYISDSA-N 1 0 370.541 3.728 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CCSCC1 ZINC000151766659 946122255 /nfs/dbraw/zinc/12/22/55/946122255.db2.gz NBZWBDCKJLYJIO-OAHLLOKOSA-N 1 0 367.474 3.726 20 30 FHEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000925097925 946251300 /nfs/dbraw/zinc/25/13/00/946251300.db2.gz JYMUOHACRMENFY-INIZCTEOSA-N 1 0 350.466 3.776 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)CCC[NH2+]1 ZINC000662883723 946259753 /nfs/dbraw/zinc/25/97/53/946259753.db2.gz NNXCPACCDALVSM-GOSISDBHSA-N 1 0 363.433 3.649 20 30 FHEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1 ZINC000520247148 946316250 /nfs/dbraw/zinc/31/62/50/946316250.db2.gz VWTNLPMXMWMLFB-UHFFFAOYSA-N 1 0 369.852 3.850 20 30 FHEDRO COc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000109015252 946319217 /nfs/dbraw/zinc/31/92/17/946319217.db2.gz XJHPZGNRJHPCLT-UHFFFAOYSA-N 1 0 359.429 3.831 20 30 FHEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511892928 946331968 /nfs/dbraw/zinc/33/19/68/946331968.db2.gz WWIXHRYWTSTSGD-DLBZAZTESA-N 1 0 367.415 3.693 20 30 FHEDRO COc1c(C)cc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)cc1C ZINC000101566388 946350338 /nfs/dbraw/zinc/35/03/38/946350338.db2.gz VGUCXWIZEHGIHY-UHFFFAOYSA-N 1 0 357.479 3.706 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561507 946350388 /nfs/dbraw/zinc/35/03/88/946350388.db2.gz RAUKMKAKEBGIJL-UHFFFAOYSA-N 1 0 372.469 3.664 20 30 FHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441263670 946369160 /nfs/dbraw/zinc/36/91/60/946369160.db2.gz ZUWMLMUNRKQQIW-KBXCAEBGSA-N 1 0 367.415 3.850 20 30 FHEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441263924 946371950 /nfs/dbraw/zinc/37/19/50/946371950.db2.gz ZUWMLMUNRKQQIW-RDTXWAMCSA-N 1 0 367.415 3.850 20 30 FHEDRO C=CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000441282291 946378126 /nfs/dbraw/zinc/37/81/26/946378126.db2.gz HSNSJZWTSHGEDF-UHFFFAOYSA-N 1 0 367.405 3.542 20 30 FHEDRO C=CCCC1(CNC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCCC1 ZINC000665589540 946378187 /nfs/dbraw/zinc/37/81/87/946378187.db2.gz YPWPXCYAHXAFOB-UHFFFAOYSA-N 1 0 365.562 3.655 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441283654 946378957 /nfs/dbraw/zinc/37/89/57/946378957.db2.gz BPPLJJZUYBFORJ-DLBZAZTESA-N 1 0 360.523 3.652 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000475106908 946411476 /nfs/dbraw/zinc/41/14/76/946411476.db2.gz JQUKYCUSTXLDNF-IAGOWNOFSA-N 1 0 355.526 3.974 20 30 FHEDRO COc1cc(C[NH2+]Cc2cc(Br)cc3c2OCC3)ccc1C#N ZINC000323818432 946424329 /nfs/dbraw/zinc/42/43/29/946424329.db2.gz JMEUVSLBMHGJLS-UHFFFAOYSA-N 1 0 373.250 3.554 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1 ZINC000896985752 946426732 /nfs/dbraw/zinc/42/67/32/946426732.db2.gz YFXDKQVWNFRSEN-FUHWJXTLSA-N 1 0 373.497 3.714 20 30 FHEDRO N#CCc1ccc(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000441325698 946451452 /nfs/dbraw/zinc/45/14/52/946451452.db2.gz CRIDWIOUTIHWQW-UHFFFAOYSA-N 1 0 354.498 3.920 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1OC ZINC000441360253 946486430 /nfs/dbraw/zinc/48/64/30/946486430.db2.gz RGQUKIJZVGBIIP-QFIPXVFZSA-N 1 0 353.462 3.574 20 30 FHEDRO C=CCc1cc(C[N@@H+](C)[C@@H](COC)Cc2ccccc2)cc(OC)c1O ZINC000475141946 946487211 /nfs/dbraw/zinc/48/72/11/946487211.db2.gz XHJVNQNXFWIOSN-HXUWFJFHSA-N 1 0 355.478 3.819 20 30 FHEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000441369914 946519955 /nfs/dbraw/zinc/51/99/55/946519955.db2.gz GEGMHDCTILCLNF-VQTJNVASSA-N 1 0 353.510 3.906 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccccc1C#N)c1ccsc1 ZINC000029415142 946524449 /nfs/dbraw/zinc/52/44/49/946524449.db2.gz BXGJLTHHAYBSPT-JBVUFVISSA-N 1 0 353.491 3.832 20 30 FHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000441385324 946560077 /nfs/dbraw/zinc/56/00/77/946560077.db2.gz ZLDMDOTWDFMROQ-HXUWFJFHSA-N 1 0 355.526 3.933 20 30 FHEDRO N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411762 946565633 /nfs/dbraw/zinc/56/56/33/946565633.db2.gz HJDRLXCMRCQHER-CRAIPNDOSA-N 1 0 361.436 3.608 20 30 FHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cncc(Br)c1 ZINC000186580509 946574583 /nfs/dbraw/zinc/57/45/83/946574583.db2.gz RKMHSHXWMCFIRC-UHFFFAOYSA-N 1 0 362.296 3.739 20 30 FHEDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)C(=O)NC1(C#N)CCCCC1 ZINC000104704393 946575169 /nfs/dbraw/zinc/57/51/69/946575169.db2.gz AFJOCTMMZGTRDU-HNAYVOBHSA-N 1 0 357.473 3.988 20 30 FHEDRO Cc1cc(C#N)ccc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000186192731 946589339 /nfs/dbraw/zinc/58/93/39/946589339.db2.gz PKVFDMASSBMGEA-UHFFFAOYSA-N 1 0 367.456 3.609 20 30 FHEDRO Cn1cc(CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000066905718 946594152 /nfs/dbraw/zinc/59/41/52/946594152.db2.gz ULHJIPZWUUMCLQ-UHFFFAOYSA-N 1 0 360.461 3.593 20 30 FHEDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000661780783 946628057 /nfs/dbraw/zinc/62/80/57/946628057.db2.gz YGFUGHJLNPKKHR-MJGOQNOKSA-N 1 0 361.411 3.791 20 30 FHEDRO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@H]1CCc2ccccc2C1 ZINC000262457585 946645229 /nfs/dbraw/zinc/64/52/29/946645229.db2.gz WZFBECXXZFGXCC-IBGZPJMESA-N 1 0 360.461 3.564 20 30 FHEDRO C[N@H+](CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C1CC1 ZINC000609730826 946646889 /nfs/dbraw/zinc/64/68/89/946646889.db2.gz BOALGOQLMXCWHJ-UHFFFAOYSA-N 1 0 369.852 3.828 20 30 FHEDRO [NH2+]=C(NCc1ccccc1OC1CCC1)N[C@H]1CCOc2ccccc21 ZINC000262458560 946667131 /nfs/dbraw/zinc/66/71/31/946667131.db2.gz XCNIXRTVTVPTBD-SFHVURJKSA-N 1 0 351.450 3.546 20 30 FHEDRO C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)Cn1ccnc1 ZINC000067500411 946679436 /nfs/dbraw/zinc/67/94/36/946679436.db2.gz IUFXPUBURUWRPM-GOSISDBHSA-N 1 0 360.461 3.760 20 30 FHEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2cccc(C(C)C)c2)N2CCOCC2)o1 ZINC000303779897 946688401 /nfs/dbraw/zinc/68/84/01/946688401.db2.gz KYEGWKZVZMNKQG-IBGZPJMESA-N 1 0 370.497 3.512 20 30 FHEDRO C[NH+]=C(NCc1ccc(C)nc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000262461723 946698453 /nfs/dbraw/zinc/69/84/53/946698453.db2.gz MQEUGHKYTDTYPZ-SFHVURJKSA-N 1 0 354.523 3.580 20 30 FHEDRO C#CC[N@@H+](Cc1c(C)cc(-c2nn[nH]n2)cc1C)[C@H]1CCCc2ccccc21 ZINC001573282878 946700151 /nfs/dbraw/zinc/70/01/51/946700151.db2.gz NGBZCSJWQPRHSY-QFIPXVFZSA-N 1 0 371.488 3.996 20 30 FHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000441419585 946704157 /nfs/dbraw/zinc/70/41/57/946704157.db2.gz UAKAUJVTRKMPLT-IBGZPJMESA-N 1 0 352.409 3.943 20 30 FHEDRO C[N@@H+]1CCC[C@@]2(CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C2)C1 ZINC000549572661 946704549 /nfs/dbraw/zinc/70/45/49/946704549.db2.gz SFMXPQSZBJNUJJ-HXUWFJFHSA-N 1 0 372.419 3.630 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCCOc2cccc(C(F)(F)F)c2)cc1 ZINC000303906614 946734283 /nfs/dbraw/zinc/73/42/83/946734283.db2.gz ZYYHWRFBFDDBHA-UHFFFAOYSA-N 1 0 353.344 3.520 20 30 FHEDRO C[C@H](NC(=[NH2+])NCCc1cccc(O)c1)c1ccc(Cl)cc1Cl ZINC000303969667 946749408 /nfs/dbraw/zinc/74/94/08/946749408.db2.gz BXURGYJLPRLGLY-NSHDSACASA-N 1 0 352.265 3.907 20 30 FHEDRO C=CCC1([NH2+]CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)CCCC1 ZINC000661852441 946761475 /nfs/dbraw/zinc/76/14/75/946761475.db2.gz USKVBCJZSNGVDK-UHFFFAOYSA-N 1 0 366.509 3.584 20 30 FHEDRO C=CCC1([NH2+]CC(=O)Nc2cc(OC)c(Cl)cc2OC)CCCC1 ZINC000661866676 946792834 /nfs/dbraw/zinc/79/28/34/946792834.db2.gz TXUPXGZAWOIEBW-UHFFFAOYSA-N 1 0 352.862 3.774 20 30 FHEDRO O=[S@](CC[NH+]=C(Nc1ccccc1)N1CCCCC1)Cc1ccccc1 ZINC000304763813 946793780 /nfs/dbraw/zinc/79/37/80/946793780.db2.gz XFCMCMSSUWYRRW-AREMUKBSSA-N 1 0 369.534 3.889 20 30 FHEDRO CC(C)c1cccc(NC(=[NH2+])NCCCC(=O)N2Cc3ccccc3C2)c1 ZINC000304760863 946793787 /nfs/dbraw/zinc/79/37/87/946793787.db2.gz SZGUJZMAHYCZGL-UHFFFAOYSA-N 1 0 364.493 3.859 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCC2(c3cccc(Br)c3)CC2)cc1 ZINC000262545450 946860046 /nfs/dbraw/zinc/86/00/46/946860046.db2.gz UVPSHKYSSYSDHI-UHFFFAOYSA-N 1 0 374.282 3.916 20 30 FHEDRO CCOc1ccc(C2(CNC(=[NH2+])NC3CCCCCC3)CCOCC2)cc1 ZINC000305750383 946865904 /nfs/dbraw/zinc/86/59/04/946865904.db2.gz ZLQOWPRVEDRRFO-UHFFFAOYSA-N 1 0 373.541 3.761 20 30 FHEDRO C[C@@]1(O)CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000475342252 946912751 /nfs/dbraw/zinc/91/27/51/946912751.db2.gz IGVCLTZCLMMFBR-JOCHJYFZSA-N 1 0 350.462 3.874 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000113322437 946927530 /nfs/dbraw/zinc/92/75/30/946927530.db2.gz KMKVNMVGAXMWQW-INIZCTEOSA-N 1 0 369.461 3.965 20 30 FHEDRO Cc1c(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)oc2ccccc12 ZINC000262553036 946934816 /nfs/dbraw/zinc/93/48/16/946934816.db2.gz ZMSNIXKKFBLVHH-UHFFFAOYSA-N 1 0 351.406 3.829 20 30 FHEDRO O=C(N[C@H]1CC[C@H](CO)CC1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000328603865 946954945 /nfs/dbraw/zinc/95/49/45/946954945.db2.gz IEBJOWYPBWAPRU-NXLVEIQXSA-N 1 0 356.510 3.796 20 30 FHEDRO C=CCn1c(-c2sccc2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508497603 946957001 /nfs/dbraw/zinc/95/70/01/946957001.db2.gz MKKAOEPSYKLTLQ-INIZCTEOSA-N 1 0 357.527 3.566 20 30 FHEDRO COc1ccccc1[C@H](CNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)[NH+]1CCCCC1 ZINC000328640695 946962723 /nfs/dbraw/zinc/96/27/23/946962723.db2.gz CVXSJGSGTTUBLH-WBQJQJEBSA-N 1 0 360.498 3.992 20 30 FHEDRO O=C(CN1CCC[C@@H](c2ncc3n2CCCC3)C1)Nc1ccc(F)c(F)c1 ZINC000328647074 946963876 /nfs/dbraw/zinc/96/38/76/946963876.db2.gz HGKAJDOSZYBREC-CQSZACIVSA-N 1 0 374.435 3.965 20 30 FHEDRO CCCc1noc2nc(CC)cc(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)c12 ZINC000328647666 946964084 /nfs/dbraw/zinc/96/40/84/946964084.db2.gz HRQTYISEXHGGRN-SJKOYZFVSA-N 1 0 356.470 3.525 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)NC(=O)NC1CCCCC1 ZINC000328657905 946968051 /nfs/dbraw/zinc/96/80/51/946968051.db2.gz PZRWALHFCCESSI-HOCLYGCPSA-N 1 0 351.491 3.517 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)NCc3ccc4c(c3)COC4)CC2)CC1 ZINC000328659770 946969167 /nfs/dbraw/zinc/96/91/67/946969167.db2.gz UDOAVOQHOZFKAB-UHFFFAOYSA-N 1 0 371.525 3.764 20 30 FHEDRO CCCc1noc2nc(CC)cc(C(=O)NC3CC[NH+](C4CC4)CC3)c12 ZINC000328659345 946969604 /nfs/dbraw/zinc/96/96/04/946969604.db2.gz SOBVVDYIRHYYPF-UHFFFAOYSA-N 1 0 356.470 3.669 20 30 FHEDRO COCC[N@H+](C)CC[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccccc1 ZINC000067372071 946977989 /nfs/dbraw/zinc/97/79/89/946977989.db2.gz IMLBSDWNIOMNER-QGZVFWFLSA-N 1 0 358.873 3.728 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182635824 946980237 /nfs/dbraw/zinc/98/02/37/946980237.db2.gz BDZVQYYWZVGOJV-MJGOQNOKSA-N 1 0 371.525 3.704 20 30 FHEDRO Cn1c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2nc1C(F)F ZINC000328678193 946983640 /nfs/dbraw/zinc/98/36/40/946983640.db2.gz SQKNRRDTPNZNQM-ZDUSSCGKSA-N 1 0 362.424 3.832 20 30 FHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCCC23CCOCC3)CC1 ZINC000328697294 946993624 /nfs/dbraw/zinc/99/36/24/946993624.db2.gz DNNRLGLOWUVZSN-IBGZPJMESA-N 1 0 365.562 3.597 20 30 FHEDRO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)C1 ZINC000328701593 946996310 /nfs/dbraw/zinc/99/63/10/946996310.db2.gz WTKRVHBIPDGECB-SWLSCSKDSA-N 1 0 371.934 3.597 20 30 FHEDRO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)sc1C ZINC000328753166 947010806 /nfs/dbraw/zinc/01/08/06/947010806.db2.gz SDQFDRCGWWJJEW-GUDXXQAFSA-N 1 0 365.543 3.863 20 30 FHEDRO C[C@@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1CCOCC1 ZINC000328768168 947019211 /nfs/dbraw/zinc/01/92/11/947019211.db2.gz HWPOAAKJIXRCNT-QGZVFWFLSA-N 1 0 366.546 3.819 20 30 FHEDRO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328805163 947028640 /nfs/dbraw/zinc/02/86/40/947028640.db2.gz CYPDPCIPYFJEHG-SZVBFZGTSA-N 1 0 358.482 3.604 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000328826183 947042209 /nfs/dbraw/zinc/04/22/09/947042209.db2.gz QFMATXKGRDHHCZ-BGTYHANMSA-N 1 0 374.481 3.655 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C2CCC(F)CC2)c(OC)c1 ZINC000662001978 947046409 /nfs/dbraw/zinc/04/64/09/947046409.db2.gz CCRIDQXSBVWIDS-GWFLUQINSA-N 1 0 365.489 3.670 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000328790662 947047784 /nfs/dbraw/zinc/04/77/84/947047784.db2.gz QJZXHPKHFGDLFE-PBHICJAKSA-N 1 0 363.889 3.666 20 30 FHEDRO C[C@H](NC(=O)CN1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2ccccc2c1 ZINC000328803186 947053146 /nfs/dbraw/zinc/05/31/46/947053146.db2.gz LFXMOQYLLJVGCH-GDIGMMSISA-N 1 0 351.450 3.908 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1nc2ccccc2s1 ZINC000328831932 947055711 /nfs/dbraw/zinc/05/57/11/947055711.db2.gz KOFVAPLIUSOHTP-OWRWGESLSA-N 1 0 358.467 3.760 20 30 FHEDRO O=C(CN1CCC[C@H]2C(=O)NC[C@H]21)NCCc1cccc(Cl)c1Cl ZINC000328863339 947071000 /nfs/dbraw/zinc/07/10/00/947071000.db2.gz ZFOATFHUFZVVQA-TZMCWYRMSA-N 1 0 370.280 3.543 20 30 FHEDRO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000328863132 947071688 /nfs/dbraw/zinc/07/16/88/947071688.db2.gz FWAPHZCGXXHAOG-IPMKNSEASA-N 1 0 368.481 3.671 20 30 FHEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](c3ccco3)C2)ccc1Cl ZINC000609539983 947083454 /nfs/dbraw/zinc/08/34/54/947083454.db2.gz MTVYBKWLOMVRNM-INIZCTEOSA-N 1 0 371.868 3.978 20 30 FHEDRO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)[C@H]1c1ccccc1 ZINC000328890354 947084506 /nfs/dbraw/zinc/08/45/06/947084506.db2.gz ROEBUQWGYDWDAI-HSALFYBXSA-N 1 0 371.525 3.817 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC000124654586 947118879 /nfs/dbraw/zinc/11/88/79/947118879.db2.gz CERIXBUVHXVBBH-UHFFFAOYSA-N 1 0 359.514 3.656 20 30 FHEDRO C[C@]1(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCc2ccccc2C1 ZINC000328970940 947128274 /nfs/dbraw/zinc/12/82/74/947128274.db2.gz UXTNOYONHPYEHZ-XPNTWCBSSA-N 1 0 370.537 3.906 20 30 FHEDRO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328994803 947136988 /nfs/dbraw/zinc/13/69/88/947136988.db2.gz FDPUCWRBILCAMJ-RTBURBONSA-N 1 0 374.529 3.592 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444711312 947140992 /nfs/dbraw/zinc/14/09/92/947140992.db2.gz UQKBXAYZXNGBHH-ZIAGYGMSSA-N 1 0 360.445 3.926 20 30 FHEDRO C=CCn1c(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC000508505795 947147461 /nfs/dbraw/zinc/14/74/61/947147461.db2.gz OEFLTXUJXWUOSD-LJQANCHMSA-N 1 0 367.541 3.720 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330452920 947173958 /nfs/dbraw/zinc/17/39/58/947173958.db2.gz LBGXXAFWKAOFPR-LBPRGKRZSA-N 1 0 354.838 3.695 20 30 FHEDRO CCOc1ccc(F)c(NC(=O)NC2CC[NH+](CC(C)C)CC2)c1F ZINC000330489820 947182457 /nfs/dbraw/zinc/18/24/57/947182457.db2.gz CORJMYPTDYNHNC-UHFFFAOYSA-N 1 0 355.429 3.810 20 30 FHEDRO CN1Cc2ccccc2[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1=O ZINC000598942048 947185879 /nfs/dbraw/zinc/18/58/79/947185879.db2.gz KRUIZJBSKHIOIM-SWCONJRYSA-N 1 0 359.473 3.693 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444751560 947188157 /nfs/dbraw/zinc/18/81/57/947188157.db2.gz FEQRXZTVDXKHFS-MSOLQXFVSA-N 1 0 357.498 3.698 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000444755462 947192297 /nfs/dbraw/zinc/19/22/97/947192297.db2.gz FIKXMLLGHAASCT-JTQLQIEISA-N 1 0 364.268 3.672 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC23CCC3)c1C#N ZINC000444775445 947212614 /nfs/dbraw/zinc/21/26/14/947212614.db2.gz NEPMIVDIHMHZOD-UHFFFAOYSA-N 1 0 366.465 3.575 20 30 FHEDRO C=CC[C@@H]1[N@H+](C[C@@H](O)COc2c(OC)cccc2OC)CCCC1(C)C ZINC000444776842 947212859 /nfs/dbraw/zinc/21/28/59/947212859.db2.gz CWKFSRWGTLAANJ-APWZRJJASA-N 1 0 363.498 3.510 20 30 FHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330601972 947222857 /nfs/dbraw/zinc/22/28/57/947222857.db2.gz WGUOFHBMUGTZGC-XQQFMLRXSA-N 1 0 353.850 3.919 20 30 FHEDRO CCN(CCC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000599138789 947240627 /nfs/dbraw/zinc/24/06/27/947240627.db2.gz KZVQNDDZKIGMCB-RTBURBONSA-N 1 0 367.518 3.726 20 30 FHEDRO C=CCn1c(CC2CC2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000508509100 947245458 /nfs/dbraw/zinc/24/54/58/947245458.db2.gz MKCWRBMLCACTBU-HXUWFJFHSA-N 1 0 365.525 3.517 20 30 FHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc(C#N)cn2)CCCCC1 ZINC000714218853 947276328 /nfs/dbraw/zinc/27/63/28/947276328.db2.gz NYFQQJVVKLMZRA-UHFFFAOYSA-N 1 0 362.477 3.518 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(C)C)c(OC)c2)C[C@H]1C ZINC000330964245 947317936 /nfs/dbraw/zinc/31/79/36/947317936.db2.gz CAYPEUBMYCJTGJ-WBVHZDCISA-N 1 0 363.502 3.833 20 30 FHEDRO CC(=O)Nc1ccc(Cl)c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000330967018 947318883 /nfs/dbraw/zinc/31/88/83/947318883.db2.gz LPWFMSCSQUCDDX-UHFFFAOYSA-N 1 0 351.878 3.725 20 30 FHEDRO COC(=O)c1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C)cc1C ZINC000330983652 947325617 /nfs/dbraw/zinc/32/56/17/947325617.db2.gz PACBZEVEBCFGSN-UHFFFAOYSA-N 1 0 361.486 3.679 20 30 FHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nc(C(C)(C)C)nc1SC ZINC000330978565 947325717 /nfs/dbraw/zinc/32/57/17/947325717.db2.gz IRGSKIMMATUVLG-CYBMUJFWSA-N 1 0 350.532 3.593 20 30 FHEDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)nc1 ZINC000931617818 947327903 /nfs/dbraw/zinc/32/79/03/947327903.db2.gz QJUXMDMOQOWGDD-XVKPBYJWSA-N 1 0 366.252 3.700 20 30 FHEDRO CO[C@H](C)c1nc(C)c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)s1 ZINC000331126654 947353278 /nfs/dbraw/zinc/35/32/78/947353278.db2.gz RLSVPLJGEBEINP-GXTWGEPZSA-N 1 0 353.532 3.974 20 30 FHEDRO CCNC(=O)Nc1cccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c1C ZINC000331319968 947385360 /nfs/dbraw/zinc/38/53/60/947385360.db2.gz BPQYAKWXTJNTNS-UHFFFAOYSA-N 1 0 360.502 3.791 20 30 FHEDRO CC(C)N(C)c1ccccc1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000331291842 947390295 /nfs/dbraw/zinc/39/02/95/947390295.db2.gz KZLYNHJAXDWLBK-UHFFFAOYSA-N 1 0 360.546 3.844 20 30 FHEDRO CCC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000331307302 947393100 /nfs/dbraw/zinc/39/31/00/947393100.db2.gz FGIOCAXZZDROMO-ROUUACIJSA-N 1 0 359.514 3.951 20 30 FHEDRO Cc1cc(C)c(NC(=O)NCC2CCN(CC(F)(F)F)CC2)c(C)n1 ZINC000331349470 947402169 /nfs/dbraw/zinc/40/21/69/947402169.db2.gz XVHQIJQMVBXRHB-UHFFFAOYSA-N 1 0 358.408 3.607 20 30 FHEDRO COc1cc(C[NH2+]CCCOc2ccc(C(F)(F)F)cn2)ccc1C#N ZINC000440629269 947414173 /nfs/dbraw/zinc/41/41/73/947414173.db2.gz STESHRJDTFLTTM-UHFFFAOYSA-N 1 0 365.355 3.539 20 30 FHEDRO C[NH+](C)CCOc1ccccc1CNc1nc(C(F)(F)F)ccc1C#N ZINC000523755114 947572347 /nfs/dbraw/zinc/57/23/47/947572347.db2.gz XHVIDLWTIYANFX-UHFFFAOYSA-N 1 0 364.371 3.525 20 30 FHEDRO C=CCC[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000189423877 947715878 /nfs/dbraw/zinc/71/58/78/947715878.db2.gz GFJSSYZIKIVMBG-NRFANRHFSA-N 1 0 370.537 3.888 20 30 FHEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000189518408 947752231 /nfs/dbraw/zinc/75/22/31/947752231.db2.gz FZDHHUYSXLLZBL-QXAKKESOSA-N 1 0 359.539 3.976 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CCC[NH2+]1 ZINC000662502326 947876001 /nfs/dbraw/zinc/87/60/01/947876001.db2.gz VKKCIYMUXXIEAV-QGZVFWFLSA-N 1 0 374.378 3.740 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@H](C)c2ccc(OCCCC)c(OC)c2)CCC[NH2+]1 ZINC000662508441 947876972 /nfs/dbraw/zinc/87/69/72/947876972.db2.gz BSFOPFMGXVYUGL-IIBYNOLFSA-N 1 0 360.498 3.750 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c(OC)c1 ZINC000441478080 947877092 /nfs/dbraw/zinc/87/70/92/947877092.db2.gz SMILOGUEVQCQMC-MDNKFWRPSA-N 1 0 359.510 3.816 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)CCC[NH2+]1 ZINC000662524024 947886977 /nfs/dbraw/zinc/88/69/77/947886977.db2.gz SVLTWJHEVQEZCK-JOCHJYFZSA-N 1 0 369.509 3.728 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000662529819 947897168 /nfs/dbraw/zinc/89/71/68/947897168.db2.gz HMYFQSRNEUZZGL-CXAGYDPISA-N 1 0 356.388 3.503 20 30 FHEDRO C=CCC(C)(C)CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000458812770 948142980 /nfs/dbraw/zinc/14/29/80/948142980.db2.gz RFGMOEFHGABLCU-VQTJNVASSA-N 1 0 355.526 3.752 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000054008931 948162007 /nfs/dbraw/zinc/16/20/07/948162007.db2.gz FMJBKOPGGNUZLG-HXUWFJFHSA-N 1 0 366.465 3.771 20 30 FHEDRO C=CCc1cc(C[N@H+]2CCC[C@@H](CCC(=O)OCC)C2)cc(OC)c1O ZINC000092073749 948164417 /nfs/dbraw/zinc/16/44/17/948164417.db2.gz GUOWTXJKCUZJFV-INIZCTEOSA-N 1 0 361.482 3.685 20 30 FHEDRO COc1c(C)cc(CN(C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1C ZINC000441547301 948244377 /nfs/dbraw/zinc/24/43/77/948244377.db2.gz PQKXJNXTAURZCC-UHFFFAOYSA-N 1 0 362.433 3.866 20 30 FHEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000184707842 948244915 /nfs/dbraw/zinc/24/49/15/948244915.db2.gz ZTNMWNRNMYCPMK-LPHOPBHVSA-N 1 0 365.481 3.631 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]3Cc3ccccc3)CC2)nc1 ZINC000585794056 948301563 /nfs/dbraw/zinc/30/15/63/948301563.db2.gz AARKNTZPERVZKN-IRLDBZIGSA-N 1 0 360.505 3.923 20 30 FHEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000459111848 948328882 /nfs/dbraw/zinc/32/88/82/948328882.db2.gz SJWSFBDHLAOPAC-FQEVSTJZSA-N 1 0 356.514 3.600 20 30 FHEDRO COc1ccc(C#N)cc1C[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000178975711 948356133 /nfs/dbraw/zinc/35/61/33/948356133.db2.gz QIOACIPOVHPCQN-HNNXBMFYSA-N 1 0 373.497 3.692 20 30 FHEDRO N#Cc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1Cl ZINC000614616180 948388177 /nfs/dbraw/zinc/38/81/77/948388177.db2.gz BICLLVQOOKBPFV-UHFFFAOYSA-N 1 0 359.901 3.940 20 30 FHEDRO N#C[C@H]1CC[C@H](Nc2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)CC1 ZINC001167843777 948403391 /nfs/dbraw/zinc/40/33/91/948403391.db2.gz DPASYKMTPDUAEA-NNUKFRKNSA-N 1 0 350.388 3.971 20 30 FHEDRO COc1cccc([C@H]2CN(Cc3cccc(OCCCC#N)c3)CCO2)c1 ZINC000093079770 948479165 /nfs/dbraw/zinc/47/91/65/948479165.db2.gz FZSFICVQEUPWQB-JOCHJYFZSA-N 1 0 366.461 3.951 20 30 FHEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000520674114 948559809 /nfs/dbraw/zinc/55/98/09/948559809.db2.gz YWYFBXPVHSCOAG-UHFFFAOYSA-N 1 0 370.840 3.832 20 30 FHEDRO CCO[C@H]1C[C@H]([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C12CCCCC2 ZINC000279213233 948624893 /nfs/dbraw/zinc/62/48/93/948624893.db2.gz HDBMEHHOJJLCMU-ROUUACIJSA-N 1 0 366.465 3.826 20 30 FHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000459136128 948664877 /nfs/dbraw/zinc/66/48/77/948664877.db2.gz ZGJPLEIMJQXUBA-UHFFFAOYSA-N 1 0 360.477 3.541 20 30 FHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(F)c(C#N)c2)C[C@H](C)O1 ZINC000279298246 948722589 /nfs/dbraw/zinc/72/25/89/948722589.db2.gz YZTSJUYUVKRNJL-GASCZTMLSA-N 1 0 367.424 3.559 20 30 FHEDRO CC[C@H](NC(=O)CN(C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000046529496 948749843 /nfs/dbraw/zinc/74/98/43/948749843.db2.gz VVNXQLNKKSZDMB-IBGZPJMESA-N 1 0 355.869 3.911 20 30 FHEDRO CC[C@@H](NC(=O)CN(C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000046529499 948750751 /nfs/dbraw/zinc/75/07/51/948750751.db2.gz VVNXQLNKKSZDMB-LJQANCHMSA-N 1 0 355.869 3.911 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438641008 948757352 /nfs/dbraw/zinc/75/73/52/948757352.db2.gz KJDWSZUVYOJUGQ-GFCCVEGCSA-N 1 0 354.376 3.573 20 30 FHEDRO CC(C)[NH+](CCNC(=O)c1ccc(COc2ccccc2C#N)o1)C(C)C ZINC000048179094 221000275 /nfs/dbraw/zinc/00/02/75/221000275.db2.gz JWFISVYUBJYVHE-UHFFFAOYSA-N 1 0 369.465 3.579 20 30 FHEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000481369626 567824192 /nfs/dbraw/zinc/82/41/92/567824192.db2.gz CAUKPAKSSCRPAN-BFUOFWGJSA-N 1 0 357.841 3.516 20 30 FHEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000481387139 567876712 /nfs/dbraw/zinc/87/67/12/567876712.db2.gz BCVZVMJELKKDFK-JLTOFOAXSA-N 1 0 371.868 3.906 20 30 FHEDRO C[NH+](C)Cc1cccc(NCC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000601929710 567878579 /nfs/dbraw/zinc/87/85/79/567878579.db2.gz APTYEUKFRNMYQM-UHFFFAOYSA-N 1 0 370.884 3.760 20 30 FHEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000481393849 567884719 /nfs/dbraw/zinc/88/47/19/567884719.db2.gz SSXUDTZQOVMBOK-BFUOFWGJSA-N 1 0 357.841 3.516 20 30 FHEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@]2(Cc3ccccc3)C=CCCC2)CCOCC1 ZINC000601965899 567889077 /nfs/dbraw/zinc/88/90/77/567889077.db2.gz BMTQVTILRGTGHF-GMAHTHKFSA-N 1 0 368.521 3.617 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967597 567889456 /nfs/dbraw/zinc/88/94/56/567889456.db2.gz HHXPESBHEUWVRC-VHSXEESVSA-N 1 0 355.269 3.821 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601967596 567889553 /nfs/dbraw/zinc/88/95/53/567889553.db2.gz HHXPESBHEUWVRC-UWVGGRQHSA-N 1 0 355.269 3.821 20 30 FHEDRO CSc1cccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000043157411 567898580 /nfs/dbraw/zinc/89/85/80/567898580.db2.gz MGSOJIUQGKNBDT-UHFFFAOYSA-N 1 0 366.490 3.630 20 30 FHEDRO C[C@H](NC1CC[NH+](CCc2ccncc2)CC1)c1ccc(C#N)cc1Cl ZINC000366010953 567931171 /nfs/dbraw/zinc/93/11/71/567931171.db2.gz PDYRHENJWGCBAV-INIZCTEOSA-N 1 0 368.912 3.964 20 30 FHEDRO N#CC1CCC(Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC1 ZINC000602490415 567986132 /nfs/dbraw/zinc/98/61/32/567986132.db2.gz JJWAQCGNJQNYBY-UHFFFAOYSA-N 1 0 354.498 3.995 20 30 FHEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000602518325 567986823 /nfs/dbraw/zinc/98/68/23/567986823.db2.gz POANOXDAFBLCOV-AFMYVXGZSA-N 1 0 369.509 3.811 20 30 FHEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602522244 567987365 /nfs/dbraw/zinc/98/73/65/567987365.db2.gz SMMUVMPVRLBEOG-DLBZAZTESA-N 1 0 357.498 3.860 20 30 FHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000602526547 567987905 /nfs/dbraw/zinc/98/79/05/567987905.db2.gz XIBHOXUYGPGHIK-QGZVFWFLSA-N 1 0 367.415 3.855 20 30 FHEDRO COc1cccc([C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N2CCCC2)c1 ZINC000602505253 567988676 /nfs/dbraw/zinc/98/86/76/567988676.db2.gz YFBCGWPTTGDGBO-WIYYLYMNSA-N 1 0 371.525 3.521 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000602549475 567990495 /nfs/dbraw/zinc/99/04/95/567990495.db2.gz CNTSQBJKOSXOLW-RTBURBONSA-N 1 0 355.526 3.901 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000602533909 567992073 /nfs/dbraw/zinc/99/20/73/567992073.db2.gz QRAZHPKAIRDWDO-DLBZAZTESA-N 1 0 361.917 3.855 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000602534429 567992144 /nfs/dbraw/zinc/99/21/44/567992144.db2.gz SYYWVVZISSYVCZ-CQSZACIVSA-N 1 0 351.288 3.984 20 30 FHEDRO CN1CC[C@H]([NH2+]CCCCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000602541234 567992916 /nfs/dbraw/zinc/99/29/16/567992916.db2.gz OWEXUFRCQYBXGS-IRXDYDNUSA-N 1 0 350.304 3.868 20 30 FHEDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1OC ZINC000602576985 567993279 /nfs/dbraw/zinc/99/32/79/567993279.db2.gz DYBWHGVGSHRKBG-DLBZAZTESA-N 1 0 360.498 3.571 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602585792 567994312 /nfs/dbraw/zinc/99/43/12/567994312.db2.gz UQBYESPWFZIKPP-GJZGRUSLSA-N 1 0 357.351 3.529 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000602587436 567994491 /nfs/dbraw/zinc/99/44/91/567994491.db2.gz GTQNOLMLHSCZLJ-JXFKEZNVSA-N 1 0 356.491 3.709 20 30 FHEDRO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000602605426 567997045 /nfs/dbraw/zinc/99/70/45/567997045.db2.gz VHBXKUOSXPAUDT-RDJZCZTQSA-N 1 0 353.388 3.564 20 30 FHEDRO Cc1cc(Br)cc(C)c1NC(=O)CCC[NH2+][C@H](C)CC#N ZINC000602868590 568008693 /nfs/dbraw/zinc/00/86/93/568008693.db2.gz JPSKFIIMINPYPH-CYBMUJFWSA-N 1 0 352.276 3.676 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000602674209 568008721 /nfs/dbraw/zinc/00/87/21/568008721.db2.gz VUYSCEQODIRENL-HNNXBMFYSA-N 1 0 358.873 3.714 20 30 FHEDRO CCC(CC)(C[NH2+][C@@H](C)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000602695422 568016178 /nfs/dbraw/zinc/01/61/78/568016178.db2.gz TYVYIDKJCOSEOS-INIZCTEOSA-N 1 0 352.519 3.823 20 30 FHEDRO CN1CC[C@H]([NH2+]CC2(C#N)CCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000602697156 568016445 /nfs/dbraw/zinc/01/64/45/568016445.db2.gz IOPSNQVQLYQDNI-DLBZAZTESA-N 1 0 362.315 3.868 20 30 FHEDRO Cc1ncc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000602956920 568029343 /nfs/dbraw/zinc/02/93/43/568029343.db2.gz PMBDDEYFSFFEKZ-HNNXBMFYSA-N 1 0 356.495 3.666 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000602783368 568039512 /nfs/dbraw/zinc/03/95/12/568039512.db2.gz YYOHDXSIGBBYGH-AEFFLSMTSA-N 1 0 358.486 3.563 20 30 FHEDRO C[NH+](C)CCOc1ccccc1CNc1ccc(C#N)cc1Br ZINC000568456512 568039991 /nfs/dbraw/zinc/03/99/91/568039991.db2.gz GVDGPKLOMYAJAE-UHFFFAOYSA-N 1 0 374.282 3.873 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000605988833 568067294 /nfs/dbraw/zinc/06/72/94/568067294.db2.gz QLGGWQIPFQCPRK-LJQANCHMSA-N 1 0 359.514 3.657 20 30 FHEDRO COC(=O)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000481665665 568080960 /nfs/dbraw/zinc/08/09/60/568080960.db2.gz GBEFMHAHOAGXAD-FQEVSTJZSA-N 1 0 364.445 3.911 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000481679247 568085751 /nfs/dbraw/zinc/08/57/51/568085751.db2.gz SRHGHXRMKLPXQT-INIZCTEOSA-N 1 0 373.378 3.971 20 30 FHEDRO COc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)cc1 ZINC000291302241 568099274 /nfs/dbraw/zinc/09/92/74/568099274.db2.gz QSLMTAKQQMXLIR-JOCHJYFZSA-N 1 0 366.461 3.521 20 30 FHEDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603464522 568105379 /nfs/dbraw/zinc/10/53/79/568105379.db2.gz YOZQPCMPXWXOOE-QFBILLFUSA-N 1 0 364.445 3.932 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccnn1CC1CCCCC1)c1ccc(C#N)cc1 ZINC000568655219 568108240 /nfs/dbraw/zinc/10/82/40/568108240.db2.gz MPGYLJLBZUGDDJ-MRXNPFEDSA-N 1 0 365.481 3.624 20 30 FHEDRO Cc1nc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)ccc1C#N ZINC000481798629 568127378 /nfs/dbraw/zinc/12/73/78/568127378.db2.gz GOPQMPNEZTWGRU-MRXNPFEDSA-N 1 0 362.477 3.566 20 30 FHEDRO C=CC[N@H+](Cc1ccc(F)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000522775391 568128076 /nfs/dbraw/zinc/12/80/76/568128076.db2.gz RNCOZAOCGVVZFM-CQSZACIVSA-N 1 0 355.392 3.690 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000481918634 568183650 /nfs/dbraw/zinc/18/36/50/568183650.db2.gz IAXWTIBQPHRYRT-KKSFZXQISA-N 1 0 372.415 3.633 20 30 FHEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000603954693 568189201 /nfs/dbraw/zinc/18/92/01/568189201.db2.gz DDZDDWZWWKZWNL-IRXDYDNUSA-N 1 0 357.498 3.856 20 30 FHEDRO CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481928397 568189525 /nfs/dbraw/zinc/18/95/25/568189525.db2.gz RPVXNWKRVWAZLB-OAQYLSRUSA-N 1 0 368.502 3.660 20 30 FHEDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481987864 568215710 /nfs/dbraw/zinc/21/57/10/568215710.db2.gz CRPIFJIWAWELDO-NRFANRHFSA-N 1 0 368.502 3.909 20 30 FHEDRO C=CCC[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000636953519 568222003 /nfs/dbraw/zinc/22/20/03/568222003.db2.gz MXYMQGZZMOUVFP-HXUWFJFHSA-N 1 0 367.497 3.979 20 30 FHEDRO C=CCNC(=O)[C@H](C)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000302801614 568237957 /nfs/dbraw/zinc/23/79/57/568237957.db2.gz AGOCKRDVIFRFSR-SFHVURJKSA-N 1 0 374.488 3.662 20 30 FHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000604266901 568241377 /nfs/dbraw/zinc/24/13/77/568241377.db2.gz MIKIVOFSRJVZHD-NRFANRHFSA-N 1 0 371.525 3.540 20 30 FHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(Br)c(C#N)cc2F)C1 ZINC000568917145 568252097 /nfs/dbraw/zinc/25/20/97/568252097.db2.gz WCCQXJISTCLXMI-LBPRGKRZSA-N 1 0 354.267 3.628 20 30 FHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnc2ccccc12 ZINC000482074927 568254409 /nfs/dbraw/zinc/25/44/09/568254409.db2.gz YFHCSAOIACEMGM-UHFFFAOYSA-N 1 0 372.472 3.619 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCOc2ccc(Cl)c(C)c2)CC1 ZINC000303280746 568264076 /nfs/dbraw/zinc/26/40/76/568264076.db2.gz MCXALLRERHMLLS-UHFFFAOYSA-N 1 0 364.917 3.964 20 30 FHEDRO CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604501428 568301809 /nfs/dbraw/zinc/30/18/09/568301809.db2.gz NTBZDCJPLBEGED-IBGZPJMESA-N 1 0 358.869 3.668 20 30 FHEDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604503378 568302188 /nfs/dbraw/zinc/30/21/88/568302188.db2.gz IRKMBJPVNKQRID-RBBKRZOGSA-N 1 0 352.478 3.966 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000604765094 568361811 /nfs/dbraw/zinc/36/18/11/568361811.db2.gz ADDIWLDCAGJGHW-RTBURBONSA-N 1 0 365.395 3.876 20 30 FHEDRO C=CC[C@H](C)NC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000604904123 568385696 /nfs/dbraw/zinc/38/56/96/568385696.db2.gz PSRDCEDCGRGGIM-AWEZNQCLSA-N 1 0 350.894 3.568 20 30 FHEDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)n2c3ccccc3nc2c1C#N ZINC000570232623 568463919 /nfs/dbraw/zinc/46/39/19/568463919.db2.gz BIDYKPVQMIBLOJ-QFBILLFUSA-N 1 0 359.477 3.731 20 30 FHEDRO CC[C@H]([NH2+]C[C@H](Cc1ccc(F)cc1C)C(=O)NC)c1ccc(C#N)cc1 ZINC000570682484 568495205 /nfs/dbraw/zinc/49/52/05/568495205.db2.gz HAYQTKKXWJHGMP-FPOVZHCZSA-N 1 0 367.468 3.651 20 30 FHEDRO CN(c1c(C#N)cnc2c(F)c(F)c(F)cc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000570748851 568510657 /nfs/dbraw/zinc/51/06/57/568510657.db2.gz HUHUMCLYQKQQPP-FUNVUKJBSA-N 1 0 360.383 3.585 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828258358 602054830 /nfs/dbraw/zinc/05/48/30/602054830.db2.gz QPKNCGQFWBYSDM-UTKZUKDTSA-N 1 0 369.509 3.660 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000819891913 607146394 /nfs/dbraw/zinc/14/63/94/607146394.db2.gz LGQXLKHBRUHAEY-UHFFFAOYSA-N 1 0 372.476 3.832 20 30 FHEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824540099 608543345 /nfs/dbraw/zinc/54/33/45/608543345.db2.gz RMKXGFVTNRAOFB-LYGRKUJNSA-N 1 0 372.476 3.921 20 30 FHEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000824778892 609142276 /nfs/dbraw/zinc/14/22/76/609142276.db2.gz RAULVGLBAJFLCE-UHFFFAOYSA-N 1 0 358.449 3.659 20 30 FHEDRO N#Cc1ccc2ncnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164625069 719064293 /nfs/dbraw/zinc/06/42/93/719064293.db2.gz MPUQMJSJHQKYKQ-SIKLNZKXSA-N 1 0 369.472 3.602 20 30 FHEDRO N#Cc1cnc2cc[nH]c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c1-2 ZINC001164626900 719091766 /nfs/dbraw/zinc/09/17/66/719091766.db2.gz JNJYDPDEFMSTPG-XLIONFOSSA-N 1 0 357.461 3.535 20 30 FHEDRO CC(C)C[NH+]1CCN(c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001164657506 719340090 /nfs/dbraw/zinc/34/00/90/719340090.db2.gz OTQUQSRCHHKNSS-UHFFFAOYSA-N 1 0 371.872 3.572 20 30 FHEDRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c(Cl)cc1C#N ZINC001164856628 721020013 /nfs/dbraw/zinc/02/00/13/721020013.db2.gz BFCKLPYFRBEOAL-CQSZACIVSA-N 1 0 372.904 3.533 20 30 FHEDRO N#Cc1cc(Cl)cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995663 722197591 /nfs/dbraw/zinc/19/75/91/722197591.db2.gz WTOZDGQZPLTALW-HXUWFJFHSA-N 1 0 370.859 3.991 20 30 FHEDRO N#Cc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000582971026 936334718 /nfs/dbraw/zinc/33/47/18/936334718.db2.gz ZHCMGWOSUQTODG-QGZVFWFLSA-N 1 0 356.401 3.639 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C(C)C ZINC000582981344 936341185 /nfs/dbraw/zinc/34/11/85/936341185.db2.gz FULHYJKSLUTEOL-AWEZNQCLSA-N 1 0 361.471 3.710 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000162248754 936366609 /nfs/dbraw/zinc/36/66/09/936366609.db2.gz SLCZLXYFXMCCKY-UHFFFAOYSA-N 1 0 362.477 3.649 20 30 FHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3-c3ccccc3C#N)CC[C@H]21 ZINC000247961451 937124706 /nfs/dbraw/zinc/12/47/06/937124706.db2.gz GHKDHUJYVUPGBQ-XMSQKQJNSA-N 1 0 359.473 3.782 20 30 FHEDRO CC[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000047958684 927110368 /nfs/dbraw/zinc/11/03/68/927110368.db2.gz ZFQYUJCZVWUMDW-IBGZPJMESA-N 1 0 358.869 3.668 20 30 FHEDRO COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000579712189 927164211 /nfs/dbraw/zinc/16/42/11/927164211.db2.gz JXFWYUONQACDQP-SFHVURJKSA-N 1 0 368.481 3.588 20 30 FHEDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000609434490 937153615 /nfs/dbraw/zinc/15/36/15/937153615.db2.gz QJLQTYFIBCWYLR-QGZVFWFLSA-N 1 0 364.449 3.814 20 30 FHEDRO CC(C)COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000430162468 927464672 /nfs/dbraw/zinc/46/46/72/927464672.db2.gz MEBNPQBMIMYUIK-HXUWFJFHSA-N 1 0 351.450 3.641 20 30 FHEDRO C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000186918232 927575458 /nfs/dbraw/zinc/57/54/58/927575458.db2.gz FSRQWIZGOJETRZ-OXQOHEQNSA-N 1 0 365.477 3.523 20 30 FHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc(C#N)cc1F ZINC000178795513 937180004 /nfs/dbraw/zinc/18/00/04/937180004.db2.gz AFNBSLWTDKQMMD-IRXDYDNUSA-N 1 0 351.469 3.944 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2(CC#N)CC2)cc1 ZINC000430186905 927670202 /nfs/dbraw/zinc/67/02/02/927670202.db2.gz OXUWLDBWJVXTOF-QGZVFWFLSA-N 1 0 354.498 3.554 20 30 FHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(-n3ccnc3[C@@H]3CCC[NH2+]C3)c12 ZINC001167060249 927783397 /nfs/dbraw/zinc/78/33/97/927783397.db2.gz PDLHXAWJGPMYMZ-GFCCVEGCSA-N 1 0 369.831 3.860 20 30 FHEDRO C=CCn1c(C)cc(C(=O)CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1C ZINC000533375368 927990321 /nfs/dbraw/zinc/99/03/21/927990321.db2.gz RZVRPNPPOGHGBY-ZWOKBUDYSA-N 1 0 357.542 3.811 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510087750 928021546 /nfs/dbraw/zinc/02/15/46/928021546.db2.gz OABIADCNVPPLPU-RXVVDRJESA-N 1 0 361.489 3.897 20 30 FHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167070845 928212834 /nfs/dbraw/zinc/21/28/34/928212834.db2.gz IBKDERFNWFKZBL-UHFFFAOYSA-N 1 0 374.822 3.797 20 30 FHEDRO CCCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)N[C@H](C)CC)cc1 ZINC000274796185 928420856 /nfs/dbraw/zinc/42/08/56/928420856.db2.gz RJDAEASWZBITTR-CYBMUJFWSA-O 1 0 374.530 3.858 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000069605534 928676889 /nfs/dbraw/zinc/67/68/89/928676889.db2.gz OXFTVDZRMDPYCX-FQEVSTJZSA-N 1 0 362.477 3.900 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)/C=C\c3ccccc3C#N)CC2)CC1 ZINC000254991997 928751145 /nfs/dbraw/zinc/75/11/45/928751145.db2.gz WFLXYTWCEUKSMU-WDZFZDKYSA-N 1 0 351.494 3.731 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000578209623 928756377 /nfs/dbraw/zinc/75/63/77/928756377.db2.gz AYHBMCIHEFDQIQ-UHFFFAOYSA-N 1 0 365.452 3.981 20 30 FHEDRO N#CC1(CCC[NH+]2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)CCOCC1 ZINC000375599194 929031165 /nfs/dbraw/zinc/03/11/65/929031165.db2.gz SJZCPVPPNDYKPP-FQEVSTJZSA-N 1 0 367.493 3.535 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000155303431 937302819 /nfs/dbraw/zinc/30/28/19/937302819.db2.gz DHXBTKHLFCQBNY-RBUKOAKNSA-N 1 0 364.489 3.947 20 30 FHEDRO Cc1cccc(-c2n[nH]cc2C[N@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000583290064 937322004 /nfs/dbraw/zinc/32/20/04/937322004.db2.gz GIBMFWPSQUYPEL-UHFFFAOYSA-N 1 0 360.461 3.905 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180137702 929393153 /nfs/dbraw/zinc/39/31/53/929393153.db2.gz KHWBVMUWZFVIIX-UHFFFAOYSA-N 1 0 359.804 3.713 20 30 FHEDRO CN(C(=O)Nc1ccc(C#N)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000583330062 937352080 /nfs/dbraw/zinc/35/20/80/937352080.db2.gz LDNYYPUDCUUHAG-UHFFFAOYSA-N 1 0 364.449 3.701 20 30 FHEDRO N#Cc1c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cn2ccccc12 ZINC000175835090 929850174 /nfs/dbraw/zinc/85/01/74/929850174.db2.gz SZHQQOHFYDMWTR-LPHOPBHVSA-N 1 0 351.475 3.961 20 30 FHEDRO CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748132901 929988922 /nfs/dbraw/zinc/98/89/22/929988922.db2.gz GWEWEYBXFUXCPH-UHFFFAOYSA-N 1 0 373.407 3.618 20 30 FHEDRO CCC[N@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001167337199 929989902 /nfs/dbraw/zinc/98/99/02/929989902.db2.gz JUGOEOAOCGJTKW-VXKWHMMOSA-N 1 0 369.553 3.808 20 30 FHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000609355485 929991918 /nfs/dbraw/zinc/99/19/18/929991918.db2.gz DUGAFOLLXYMURS-CHWSQXEVSA-N 1 0 366.412 3.544 20 30 FHEDRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000610335106 930007338 /nfs/dbraw/zinc/00/73/38/930007338.db2.gz UQNUTZXEBCTVDW-INIZCTEOSA-N 1 0 368.412 3.705 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(Br)c1 ZINC000610343418 930044420 /nfs/dbraw/zinc/04/44/20/930044420.db2.gz GHJMGPATYVMKKQ-STQMWFEESA-N 1 0 372.266 3.999 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1OC(F)F ZINC000610346076 930047044 /nfs/dbraw/zinc/04/70/44/930047044.db2.gz JWGCILBROKYQND-QWHCGFSZSA-N 1 0 359.376 3.837 20 30 FHEDRO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000610347588 930059500 /nfs/dbraw/zinc/05/95/00/930059500.db2.gz RFQNSWJLLJUGHT-FXAWDEMLSA-N 1 0 356.514 3.675 20 30 FHEDRO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610348818 930062382 /nfs/dbraw/zinc/06/23/82/930062382.db2.gz LETAOXLHCYJTCI-UTKZUKDTSA-N 1 0 362.477 3.583 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)c2cccc(C#N)c2)C1 ZINC000610351861 930090101 /nfs/dbraw/zinc/09/01/01/930090101.db2.gz KSVWOBNROKTQFS-SJORKVTESA-N 1 0 356.514 3.819 20 30 FHEDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(C#N)cs2)CC1)c1ccccc1 ZINC000177693336 930160272 /nfs/dbraw/zinc/16/02/72/930160272.db2.gz LXFQXUCJKUSOMB-HXUWFJFHSA-N 1 0 367.518 3.894 20 30 FHEDRO CC[NH+]1CCC(NC(=O)C[C@@H](CC#N)c2ccccc2)(C(F)(F)F)CC1 ZINC000891215213 930249215 /nfs/dbraw/zinc/24/92/15/930249215.db2.gz XPDMKOSCDNSQIY-MRXNPFEDSA-N 1 0 367.415 3.607 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000118942020 930453580 /nfs/dbraw/zinc/45/35/80/930453580.db2.gz FIEMODZBTITRNE-SFHVURJKSA-N 1 0 368.525 3.744 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000548086156 930581087 /nfs/dbraw/zinc/58/10/87/930581087.db2.gz UZJOVERPJUHZMM-HNNXBMFYSA-N 1 0 351.425 3.653 20 30 FHEDRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1cccc(C#N)c1 ZINC000074918425 930598844 /nfs/dbraw/zinc/59/88/44/930598844.db2.gz IGMYIVYWYBYAJL-GOSISDBHSA-N 1 0 368.525 3.917 20 30 FHEDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4ccc(C#N)cc43)CC2)cc1 ZINC000580501668 930772886 /nfs/dbraw/zinc/77/28/86/930772886.db2.gz NTOSQPSNBBSANJ-JOCHJYFZSA-N 1 0 359.473 3.748 20 30 FHEDRO C=CCOc1ccc(/C=C\C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1OC ZINC000255217859 930898852 /nfs/dbraw/zinc/89/88/52/930898852.db2.gz XEROYWDCZKNKOV-NTMALXAHSA-N 1 0 372.509 3.652 20 30 FHEDRO CN(C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000160598268 931011888 /nfs/dbraw/zinc/01/18/88/931011888.db2.gz RDFGHXRPPGCZFH-OAHLLOKOSA-N 1 0 366.387 3.615 20 30 FHEDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000580758235 931114934 /nfs/dbraw/zinc/11/49/34/931114934.db2.gz QDUJTHCBNHCBHI-KRWDZBQOSA-N 1 0 366.490 3.925 20 30 FHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc([S@](C)=O)cc1 ZINC000177822396 931187299 /nfs/dbraw/zinc/18/72/99/931187299.db2.gz IUCCLSZEQLKXAE-MYYSRTQBSA-N 1 0 358.532 3.880 20 30 FHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccco1 ZINC000581032640 931478385 /nfs/dbraw/zinc/47/83/85/931478385.db2.gz ZLOWJJZGSBDCME-KBXCAEBGSA-N 1 0 369.440 3.568 20 30 FHEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2ccccc2)cc1 ZINC000255263069 931547339 /nfs/dbraw/zinc/54/73/39/931547339.db2.gz POCBHGQAEZHBNX-VNRULFPQSA-N 1 0 361.445 3.531 20 30 FHEDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000581149352 931620158 /nfs/dbraw/zinc/62/01/58/931620158.db2.gz DQZQPBIUCIHFPM-VQTJNVASSA-N 1 0 367.468 3.513 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+]CC(C)(C)N2CCC(OC)CC2)cc1 ZINC000581170975 931638435 /nfs/dbraw/zinc/63/84/35/931638435.db2.gz FARSEWHRROXXHQ-FQEVSTJZSA-N 1 0 359.514 3.519 20 30 FHEDRO C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000581208362 931676917 /nfs/dbraw/zinc/67/69/17/931676917.db2.gz ODWSZNLQMXWUJE-PBHICJAKSA-N 1 0 365.437 3.514 20 30 FHEDRO C=CCCCC[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000581232142 931716162 /nfs/dbraw/zinc/71/61/62/931716162.db2.gz BTAFTPJTFGZOSN-OAHLLOKOSA-N 1 0 356.466 3.657 20 30 FHEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000610489911 931745713 /nfs/dbraw/zinc/74/57/13/931745713.db2.gz IDZMDLWJLCJUCA-QGZVFWFLSA-N 1 0 351.475 3.533 20 30 FHEDRO CN1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581398429 931957609 /nfs/dbraw/zinc/95/76/09/931957609.db2.gz NVOSJOASUJVYOB-UXHICEINSA-N 1 0 373.859 3.765 20 30 FHEDRO N#Cc1ccc(N2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000610504309 932000991 /nfs/dbraw/zinc/00/09/91/932000991.db2.gz OVQGITAGULVLMK-UHFFFAOYSA-N 1 0 374.410 3.727 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC(=O)N1CCC(Cc3ccccc3)CC1)CC2 ZINC000581518241 932196254 /nfs/dbraw/zinc/19/62/54/932196254.db2.gz SJADZYZELNUEQA-QHCPKHFHSA-N 1 0 373.500 3.616 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3nccc(C#N)c3Cl)cc2)C1 ZINC000581540258 932226043 /nfs/dbraw/zinc/22/60/43/932226043.db2.gz RVHXYQZFURDBJP-OAHLLOKOSA-N 1 0 354.885 3.873 20 30 FHEDRO C[C@H](O)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC001167473030 932292839 /nfs/dbraw/zinc/29/28/39/932292839.db2.gz DYDLEBZSGWZLED-INIZCTEOSA-N 1 0 363.379 3.820 20 30 FHEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000477188119 932379754 /nfs/dbraw/zinc/37/97/54/932379754.db2.gz MWURXEJNWRBDDQ-VXKWHMMOSA-N 1 0 361.489 3.833 20 30 FHEDRO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)COC)cc1OCC ZINC000510444145 932413564 /nfs/dbraw/zinc/41/35/64/932413564.db2.gz BBPLCMXOCPWNQF-ZDUSSCGKSA-N 1 0 372.303 3.879 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000157871912 932445455 /nfs/dbraw/zinc/44/54/55/932445455.db2.gz YUMCDAWZGVPQTR-QGZVFWFLSA-N 1 0 366.417 3.511 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933372197 932491845 /nfs/dbraw/zinc/49/18/45/932491845.db2.gz DZRSJJYBBBWISH-YJBOKZPZSA-N 1 0 373.522 3.568 20 30 FHEDRO N#Cc1cnc2ccc(Cl)cc2c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000078292798 932512279 /nfs/dbraw/zinc/51/22/79/932512279.db2.gz JUAWUXISGUEOIQ-AWEZNQCLSA-N 1 0 370.884 3.673 20 30 FHEDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cccn1Cc1ccccc1C#N ZINC000187429764 932560698 /nfs/dbraw/zinc/56/06/98/932560698.db2.gz WQRPKJGROBKHCT-OAQYLSRUSA-N 1 0 359.477 3.651 20 30 FHEDRO CC(C)(C)c1ccc(CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000581843883 932731923 /nfs/dbraw/zinc/73/19/23/932731923.db2.gz LHWJKHSYYQRWHC-NRFANRHFSA-N 1 0 366.505 3.622 20 30 FHEDRO C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000780497036 933028884 /nfs/dbraw/zinc/02/88/84/933028884.db2.gz OQMCEDAJNUZMEK-OAHLLOKOSA-N 1 0 368.437 3.562 20 30 FHEDRO Cn1c(C[NH2+]Cc2ccc(CC#N)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000581943059 933091698 /nfs/dbraw/zinc/09/16/98/933091698.db2.gz LGFZGZQSQHVOCY-UHFFFAOYSA-N 1 0 358.367 3.948 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000086302291 933097277 /nfs/dbraw/zinc/09/72/77/933097277.db2.gz FLCHWLTWFOLTQU-UHFFFAOYSA-N 1 0 374.488 3.786 20 30 FHEDRO O=C(CNC(=O)C1CCCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000328951034 933335393 /nfs/dbraw/zinc/33/53/93/933335393.db2.gz LKZPNFNFADRHLL-SFHVURJKSA-N 1 0 363.546 3.638 20 30 FHEDRO O=C(CNC(=O)C1CCCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000328950906 933335599 /nfs/dbraw/zinc/33/55/99/933335599.db2.gz LKZPNFNFADRHLL-GOSISDBHSA-N 1 0 363.546 3.638 20 30 FHEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430880980 933354113 /nfs/dbraw/zinc/35/41/13/933354113.db2.gz WZCONULIAPARFR-IBGZPJMESA-N 1 0 350.462 3.736 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000510692686 933439013 /nfs/dbraw/zinc/43/90/13/933439013.db2.gz HCWWFXITWLTYAR-HOTGVXAUSA-N 1 0 358.486 3.587 20 30 FHEDRO N#Cc1ccc(OCC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000430946226 933462056 /nfs/dbraw/zinc/46/20/56/933462056.db2.gz VDFZXMPMULLLMN-QFIPXVFZSA-N 1 0 350.462 3.661 20 30 FHEDRO N#CC1CCC(CNC(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000891880927 933797397 /nfs/dbraw/zinc/79/73/97/933797397.db2.gz PMKVPBCAUBCPPK-BZWMRVRASA-N 1 0 360.546 3.646 20 30 FHEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000477872199 933909808 /nfs/dbraw/zinc/90/98/08/933909808.db2.gz GAWMZHVMUYKZPS-DLBZAZTESA-N 1 0 350.409 3.939 20 30 FHEDRO Cc1ccc(-n2cc(C[NH2+]C3CCN(CC#N)CC3)c(C(C)(C)C)n2)cc1 ZINC000610728152 933987012 /nfs/dbraw/zinc/98/70/12/933987012.db2.gz PPNAYHFZHKBFKM-UHFFFAOYSA-N 1 0 365.525 3.556 20 30 FHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1Cl ZINC000092705981 934141179 /nfs/dbraw/zinc/14/11/79/934141179.db2.gz IRIAEXPWABASSH-QGZVFWFLSA-N 1 0 364.917 3.889 20 30 FHEDRO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610774851 934158311 /nfs/dbraw/zinc/15/83/11/934158311.db2.gz YCZUIJYRONVLMM-DYESRHJHSA-N 1 0 362.477 3.535 20 30 FHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000247551978 934178791 /nfs/dbraw/zinc/17/87/91/934178791.db2.gz QAHCLLDUIXTJMB-IAGOWNOFSA-N 1 0 365.502 3.999 20 30 FHEDRO CCN(C(=O)NCC1(CC#N)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431200850 934194339 /nfs/dbraw/zinc/19/43/39/934194339.db2.gz BFMDBUQHLRZTHE-MJGOQNOKSA-N 1 0 354.498 3.547 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000510979450 934248096 /nfs/dbraw/zinc/24/80/96/934248096.db2.gz OQTVNJWTCSEQKJ-APWZRJJASA-N 1 0 365.452 3.582 20 30 FHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc(SCC#N)c1 ZINC000458211402 934380475 /nfs/dbraw/zinc/38/04/75/934380475.db2.gz AQFFVCUARWRGDD-UHFFFAOYSA-N 1 0 359.520 3.568 20 30 FHEDRO CC(C)(CCC#N)C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000277082929 934484686 /nfs/dbraw/zinc/48/46/86/934484686.db2.gz UNIPGQDCNOXCAO-OAHLLOKOSA-N 1 0 353.304 3.520 20 30 FHEDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829683 934501917 /nfs/dbraw/zinc/50/19/17/934501917.db2.gz DVPXXUSJGDJGCL-KGLIPLIRSA-N 1 0 352.394 3.534 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000156599978 934554084 /nfs/dbraw/zinc/55/40/84/934554084.db2.gz PFVFCFCQCWWVIK-KSSFIOAISA-N 1 0 358.873 3.692 20 30 FHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000261998758 934565938 /nfs/dbraw/zinc/56/59/38/934565938.db2.gz ORCZCWYIOATKPG-UHFFFAOYSA-N 1 0 352.438 3.729 20 30 FHEDRO C[C@@H](c1ccccc1)[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CC1 ZINC000610968455 934663553 /nfs/dbraw/zinc/66/35/53/934663553.db2.gz WAINMUPNMAPJIN-UWJYYQICSA-N 1 0 350.462 3.718 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000610987387 934693152 /nfs/dbraw/zinc/69/31/52/934693152.db2.gz KTFDOFDGQQICNE-FQEVSTJZSA-N 1 0 368.452 3.691 20 30 FHEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2ccnc(C#N)c2)cc1OC ZINC000610992263 934735023 /nfs/dbraw/zinc/73/50/23/934735023.db2.gz OZUXBVAPVVITAA-FQEVSTJZSA-N 1 0 365.477 3.958 20 30 FHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2ccnc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000610993129 934737927 /nfs/dbraw/zinc/73/79/27/934737927.db2.gz FFFOKMCKUZLMDZ-BQDHWQRKSA-N 1 0 368.525 3.637 20 30 FHEDRO C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181551421 934740647 /nfs/dbraw/zinc/74/06/47/934740647.db2.gz RCTLLIQUATXPHF-FUHWJXTLSA-N 1 0 372.509 3.643 20 30 FHEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000236685183 934765132 /nfs/dbraw/zinc/76/51/32/934765132.db2.gz OPRCSHKXUPGMQX-OAQYLSRUSA-N 1 0 352.478 3.999 20 30 FHEDRO C[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)C[NH+]1CCCCC1 ZINC000431285171 934874201 /nfs/dbraw/zinc/87/42/01/934874201.db2.gz SSEILKGGIVCSPB-QUCCMNQESA-N 1 0 356.514 3.843 20 30 FHEDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000538725270 934893818 /nfs/dbraw/zinc/89/38/18/934893818.db2.gz JPAYNLAGDIGHLS-JOCHJYFZSA-N 1 0 364.445 3.522 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ncc(Cl)s3)C2)c(F)c1 ZINC000472070378 934935626 /nfs/dbraw/zinc/93/56/26/934935626.db2.gz QFYKAZBYLFEWRS-LBPRGKRZSA-N 1 0 350.850 3.566 20 30 FHEDRO Cc1ccccc1OCCC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000065532581 934983716 /nfs/dbraw/zinc/98/37/16/934983716.db2.gz LWXHYJBEOOLNAQ-UHFFFAOYSA-N 1 0 363.505 3.844 20 30 FHEDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2ccc(C(F)(F)F)cc2)c1 ZINC000104154264 935004009 /nfs/dbraw/zinc/00/40/09/935004009.db2.gz PJSSAHOGOXOSQU-UHFFFAOYSA-N 1 0 367.371 3.692 20 30 FHEDRO CC(C)Oc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)cc1 ZINC000104162009 935004146 /nfs/dbraw/zinc/00/41/46/935004146.db2.gz OZPQMICCNORLDK-UHFFFAOYSA-N 1 0 355.438 3.562 20 30 FHEDRO C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548612912 935007972 /nfs/dbraw/zinc/00/79/72/935007972.db2.gz BGAISKFICLKFGW-DNVCBOLYSA-N 1 0 367.880 3.852 20 30 FHEDRO N#CCCC[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000431316292 935014832 /nfs/dbraw/zinc/01/48/32/935014832.db2.gz CGYLLBQIOJCJJC-MHJFOBGBSA-N 1 0 354.498 3.738 20 30 FHEDRO C[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000187717063 935018910 /nfs/dbraw/zinc/01/89/10/935018910.db2.gz FYJTYFGDFOLBHM-LJQANCHMSA-N 1 0 373.500 3.713 20 30 FHEDRO CC(C)[C@@H](CC[N@H+](C)CCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC001167526024 935121277 /nfs/dbraw/zinc/12/12/77/935121277.db2.gz MUVHDYNVBMTIHX-LJQANCHMSA-N 1 0 359.514 3.972 20 30 FHEDRO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507246301 945080182 /nfs/dbraw/zinc/08/01/82/945080182.db2.gz DSJXVBMWCSOQHR-RBBKRZOGSA-N 1 0 370.537 3.634 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000551313455 935253310 /nfs/dbraw/zinc/25/33/10/935253310.db2.gz MKUGAWBVOFEXLC-LJQANCHMSA-N 1 0 374.893 3.653 20 30 FHEDRO C=CCCn1cc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)nn1 ZINC000657335289 935256989 /nfs/dbraw/zinc/25/69/89/935256989.db2.gz CZOUMEKGHXQUMO-UHFFFAOYSA-N 1 0 355.269 3.720 20 30 FHEDRO C=CCCn1cc(C[NH2+]C[C@H]2CCCCN2Cc2cccc(Cl)c2)nn1 ZINC000657355876 935336453 /nfs/dbraw/zinc/33/64/53/935336453.db2.gz CLRKZJOPRMKWKJ-HXUWFJFHSA-N 1 0 373.932 3.652 20 30 FHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCSC1 ZINC000119922915 935337751 /nfs/dbraw/zinc/33/77/51/935337751.db2.gz KJFRVPVATKJODN-ZDUSSCGKSA-N 1 0 363.552 3.655 20 30 FHEDRO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1cccc(C#N)c1 ZINC000551964536 935385604 /nfs/dbraw/zinc/38/56/04/935385604.db2.gz LIMGDQIHESAYCX-LJQANCHMSA-N 1 0 369.415 3.678 20 30 FHEDRO N#CC1(CNC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000582240197 935438978 /nfs/dbraw/zinc/43/89/78/935438978.db2.gz VZLITRHOTYJPAX-UHFFFAOYSA-N 1 0 358.511 3.690 20 30 FHEDRO Cc1ccc(-c2n[nH]cc2CN2CCN(c3ccccc3C#N)CC2)cc1 ZINC000506394840 945104747 /nfs/dbraw/zinc/10/47/47/945104747.db2.gz KZPQKFIMCAJSFA-UHFFFAOYSA-N 1 0 357.461 3.579 20 30 FHEDRO CCN(CC)c1ccc(C=Nc2ccc(N3CC[NH+](C)CC3)cc2)c(O)c1 ZINC000255503805 935616613 /nfs/dbraw/zinc/61/66/13/935616613.db2.gz XDBXYIHRUSQDRA-UHFFFAOYSA-N 1 0 366.509 3.741 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000431402417 935658920 /nfs/dbraw/zinc/65/89/20/935658920.db2.gz JZSHDYIMVCLGJY-UXPWSPDFSA-N 1 0 356.514 3.819 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000091222468 935671317 /nfs/dbraw/zinc/67/13/17/935671317.db2.gz BKEDHMJFOQMROV-NRFANRHFSA-N 1 0 374.488 3.509 20 30 FHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000511122175 935690519 /nfs/dbraw/zinc/69/05/19/935690519.db2.gz MVPICWMMBKAKQH-QRWLVFNGSA-N 1 0 363.452 3.556 20 30 FHEDRO CN(CCC[NH2+]Cc1c(F)cccc1OC(F)(F)F)CC(F)(F)F ZINC000560057007 935729748 /nfs/dbraw/zinc/72/97/48/935729748.db2.gz CCUWORQUIPWTLU-UHFFFAOYSA-N 1 0 362.289 3.698 20 30 FHEDRO C=CCC[C@@H](C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000427143255 945121484 /nfs/dbraw/zinc/12/14/84/945121484.db2.gz HSLVYTKDLGDHPZ-SVFBPWRDSA-N 1 0 358.526 3.742 20 30 FHEDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)[NH+]1CCCC1 ZINC000023708950 935789902 /nfs/dbraw/zinc/78/99/02/935789902.db2.gz SNIGEWRMSWDOJX-LJQANCHMSA-N 1 0 366.421 3.724 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)c1cccc(OC)c1 ZINC000548741340 935813441 /nfs/dbraw/zinc/81/34/41/935813441.db2.gz WGEBQVNEJCAVKL-FQEVSTJZSA-N 1 0 369.440 3.519 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C#N)c1ccccc1 ZINC000516663991 945127535 /nfs/dbraw/zinc/12/75/35/945127535.db2.gz ITHIGLPZELBPFI-SFHVURJKSA-N 1 0 367.522 3.849 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000472232584 935844769 /nfs/dbraw/zinc/84/47/69/935844769.db2.gz NAAXKRFABRHLIL-QZTJIDSGSA-N 1 0 366.509 3.542 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC(C)(C)C2)c1C#N ZINC000472233652 935864739 /nfs/dbraw/zinc/86/47/39/935864739.db2.gz QQSSBDVJZRYMGS-UHFFFAOYSA-N 1 0 368.481 3.678 20 30 FHEDRO C[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)[N@H+](C)C1CC1 ZINC000479646987 935871453 /nfs/dbraw/zinc/87/14/53/935871453.db2.gz WBFVHJYKOOTQFX-OAHLLOKOSA-N 1 0 365.502 3.922 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000023994799 935877815 /nfs/dbraw/zinc/87/78/15/935877815.db2.gz QJTNXKZMMHJXIO-QWHCGFSZSA-N 1 0 372.266 3.999 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000023994801 935877926 /nfs/dbraw/zinc/87/79/26/935877926.db2.gz QJTNXKZMMHJXIO-STQMWFEESA-N 1 0 372.266 3.999 20 30 FHEDRO CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(=O)[nH]1)C2 ZINC001112513446 935894536 /nfs/dbraw/zinc/89/45/36/935894536.db2.gz YOMVWWRLKBNBSK-KXBFYZLASA-N 1 0 365.543 3.651 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000479868503 935909904 /nfs/dbraw/zinc/90/99/04/935909904.db2.gz YVIBOQCYYNQRFS-QGZVFWFLSA-N 1 0 363.461 3.955 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178627169 935912194 /nfs/dbraw/zinc/91/21/94/935912194.db2.gz LNXMBBSRIRBGTI-UHFFFAOYSA-N 1 0 354.498 3.987 20 30 FHEDRO C=CCN1CC[C@H]([N@H+](C)Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000684966144 935914657 /nfs/dbraw/zinc/91/46/57/935914657.db2.gz BHHRNARKVZEGIM-QHCPKHFHSA-N 1 0 373.500 3.908 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCc1ccc(F)cc1 ZINC000065596234 935932915 /nfs/dbraw/zinc/93/29/15/935932915.db2.gz YXZXHOWTWRMMPJ-MRXNPFEDSA-N 1 0 360.498 3.965 20 30 FHEDRO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)Cc1cccc(C#N)c1 ZINC000046518804 935955251 /nfs/dbraw/zinc/95/52/51/935955251.db2.gz UIRYGGMMTAXBCU-YJBOKZPZSA-N 1 0 353.491 3.804 20 30 FHEDRO Cn1cc(C[NH2+]Cc2ccc3c(n2)CCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000277811867 935970417 /nfs/dbraw/zinc/97/04/17/935970417.db2.gz YZAYYUQJKQIPTP-UHFFFAOYSA-N 1 0 357.461 3.522 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)CCC2 ZINC000431476346 935974745 /nfs/dbraw/zinc/97/47/45/935974745.db2.gz XUJJREMIPHJFIP-UHFFFAOYSA-N 1 0 372.516 3.934 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)Cn1cccn1 ZINC000048785144 935989938 /nfs/dbraw/zinc/98/99/38/935989938.db2.gz BJHIHQVWIDEKPN-SFHVURJKSA-N 1 0 360.461 3.760 20 30 FHEDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000077202780 936039636 /nfs/dbraw/zinc/03/96/36/936039636.db2.gz QKMYNSHWHOXEIX-OAHLLOKOSA-N 1 0 352.438 3.812 20 30 FHEDRO Cc1nc(C(C)(C)C)sc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329105904 936049964 /nfs/dbraw/zinc/04/99/64/936049964.db2.gz OPALNQWYJGCEAD-UHFFFAOYSA-N 1 0 365.543 3.699 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438855821 945144571 /nfs/dbraw/zinc/14/45/71/945144571.db2.gz VMWFVSPOPURJQE-WOJBJXKFSA-N 1 0 356.514 3.841 20 30 FHEDRO COc1cc2cccnc2c(N(c2cccc(C#N)n2)[C@@H](C)CCC[NH3+])c1 ZINC001167615929 936115000 /nfs/dbraw/zinc/11/50/00/936115000.db2.gz PYOYSOGCWJCZJG-HNNXBMFYSA-N 1 0 361.449 3.776 20 30 FHEDRO COc1cc2cc(C#N)c(N3C(C)(C)CC([NH3+])CC3(C)C)nc2cc1OC ZINC001167625810 936202811 /nfs/dbraw/zinc/20/28/11/936202811.db2.gz PQBZOPSHBNRNDO-UHFFFAOYSA-N 1 0 368.481 3.608 20 30 FHEDRO Cc1nsc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C#N ZINC000431501100 936245632 /nfs/dbraw/zinc/24/56/32/936245632.db2.gz VSCVCTUDGDIWDU-UHFFFAOYSA-N 1 0 352.507 3.816 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)ccc1OC ZINC000657688955 936257745 /nfs/dbraw/zinc/25/77/45/936257745.db2.gz VOEKCDRRDCWIHK-VQTJNVASSA-N 1 0 369.509 3.885 20 30 FHEDRO C=CCC1([NH2+]Cc2ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c2)CCCC1 ZINC000657702638 936297937 /nfs/dbraw/zinc/29/79/37/936297937.db2.gz MDPQPHXNKUVHRV-KRWDZBQOSA-N 1 0 374.525 3.919 20 30 FHEDRO CC1CCC([NH+]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)CC1 ZINC000438851493 945155212 /nfs/dbraw/zinc/15/52/12/945155212.db2.gz YFBFYYFUPUJQGU-MNLRITNHSA-N 1 0 368.525 3.937 20 30 FHEDRO C[NH+](C)CCOc1ccccc1CNc1ccc(Br)cc1C#N ZINC000519129763 945155411 /nfs/dbraw/zinc/15/54/11/945155411.db2.gz LQZNZTNKAVEGLG-UHFFFAOYSA-N 1 0 374.282 3.873 20 30 FHEDRO Cc1ccc[n+](C(C(=O)c2nccs2)C(=S)N[C@H]2CCCC[C@H]2C)c1 ZINC000278264757 938263046 /nfs/dbraw/zinc/26/30/46/938263046.db2.gz OAZORYBBFHJBPF-CABCVRRESA-O 1 0 374.555 3.846 20 30 FHEDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]CC(C)(C)CCC#N ZINC000449680081 938274461 /nfs/dbraw/zinc/27/44/61/938274461.db2.gz FUAIVULXSQQRPJ-OAHLLOKOSA-N 1 0 367.331 3.828 20 30 FHEDRO Cc1cc(F)c(C#N)c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000892340719 938282699 /nfs/dbraw/zinc/28/26/99/938282699.db2.gz UKQPOLCQACCVKH-UHFFFAOYSA-N 1 0 353.441 3.575 20 30 FHEDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cnn(Cc2ccccc2Cl)c1 ZINC000329196593 938286889 /nfs/dbraw/zinc/28/68/89/938286889.db2.gz VXLWANOEHYBRQV-KRWDZBQOSA-N 1 0 372.900 3.906 20 30 FHEDRO CC(C)[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000329211268 938288475 /nfs/dbraw/zinc/28/84/75/938288475.db2.gz GXVWKWGHHZLQMT-QWQRMKEZSA-N 1 0 374.485 3.801 20 30 FHEDRO CC(C)C[C@@H](CNC(=O)N(C)CC(C)(C)C#N)[NH2+][C@H](C)c1ccccc1 ZINC000458573255 938293445 /nfs/dbraw/zinc/29/34/45/938293445.db2.gz XAIKGYHRYOMUKX-MJGOQNOKSA-N 1 0 358.530 3.943 20 30 FHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000245644150 938309505 /nfs/dbraw/zinc/30/95/05/938309505.db2.gz LBLGOGPVVUFAMR-HKUYNNGSSA-N 1 0 365.481 3.682 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245699724 938310202 /nfs/dbraw/zinc/31/02/02/938310202.db2.gz YZPDNGQMPSLFJL-RTBURBONSA-N 1 0 355.507 3.891 20 30 FHEDRO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511803698 945164565 /nfs/dbraw/zinc/16/45/65/945164565.db2.gz AQEXMUZPVQJNIF-XZOQPEGZSA-N 1 0 360.501 3.964 20 30 FHEDRO COc1ccc(CN[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1OCCCC#N ZINC000261848289 938328046 /nfs/dbraw/zinc/32/80/46/938328046.db2.gz MGYCSPLABSUCRU-ROUUACIJSA-N 1 0 359.514 3.588 20 30 FHEDRO C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329332552 938353345 /nfs/dbraw/zinc/35/33/45/938353345.db2.gz MWHMTTCGFVGHPI-YWZLYKJASA-N 1 0 357.498 3.809 20 30 FHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC000329391285 938386531 /nfs/dbraw/zinc/38/65/31/938386531.db2.gz VHFFEJJOCMKYSD-QUCCMNQESA-N 1 0 357.498 3.571 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000458660416 938387992 /nfs/dbraw/zinc/38/79/92/938387992.db2.gz FPRGRIBNESPFDS-IFXJQAMLSA-N 1 0 363.452 3.708 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246743016 938396894 /nfs/dbraw/zinc/39/68/94/938396894.db2.gz OGYXGVFQSNLESJ-PMPSAXMXSA-N 1 0 360.527 3.885 20 30 FHEDRO C[C@H](CCNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000458678987 938412527 /nfs/dbraw/zinc/41/25/27/938412527.db2.gz VRJWCWFDFDYLCB-UYAOXDASSA-N 1 0 356.514 3.985 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000458677452 938415850 /nfs/dbraw/zinc/41/58/50/938415850.db2.gz PSOSTJFOUZKQBJ-CRAIPNDOSA-N 1 0 351.441 3.706 20 30 FHEDRO COC(=O)[C@@H](C)CN(Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000507359857 945178586 /nfs/dbraw/zinc/17/85/86/945178586.db2.gz NSTTUTGDYWCWMU-KRWDZBQOSA-N 1 0 361.445 3.622 20 30 FHEDRO CC(C)(CC#N)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000458733543 938497875 /nfs/dbraw/zinc/49/78/75/938497875.db2.gz FRAWJBRPSBAWDY-SFHVURJKSA-N 1 0 356.514 3.526 20 30 FHEDRO N#CCc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000536168234 938499088 /nfs/dbraw/zinc/49/90/88/938499088.db2.gz ZDWJTUAWCYMMNJ-FQEVSTJZSA-N 1 0 367.880 3.973 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000248138649 938539249 /nfs/dbraw/zinc/53/92/49/938539249.db2.gz PJTPLUSCDUJYGX-TZIWHRDSSA-N 1 0 352.478 3.695 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000536193459 938544042 /nfs/dbraw/zinc/54/40/42/938544042.db2.gz VGCXEJZRHSXPTQ-VXKWHMMOSA-N 1 0 363.505 3.872 20 30 FHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458793826 938593448 /nfs/dbraw/zinc/59/34/48/938593448.db2.gz AAAKSKAYBKYRCN-ICSRJNTNSA-N 1 0 356.514 3.795 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@]3(C#N)CC34CCCC4)c2)CC1 ZINC000584094223 938595324 /nfs/dbraw/zinc/59/53/24/938595324.db2.gz HUIWWIUGJJGFEI-JOCHJYFZSA-N 1 0 366.509 3.630 20 30 FHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458795330 938596059 /nfs/dbraw/zinc/59/60/59/938596059.db2.gz CIUULFDCKFXDSD-FQEVSTJZSA-N 1 0 368.481 3.788 20 30 FHEDRO C[C@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807444 938614505 /nfs/dbraw/zinc/61/45/05/938614505.db2.gz ISZHXCGLELTMQT-DLBZAZTESA-N 1 0 368.502 3.701 20 30 FHEDRO CCC[N@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)Cc1ccc(C#N)cc1 ZINC000052826011 938614828 /nfs/dbraw/zinc/61/48/28/938614828.db2.gz PWEGIGQNZNTZBM-UHFFFAOYSA-N 1 0 365.477 3.863 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000052865822 938637019 /nfs/dbraw/zinc/63/70/19/938637019.db2.gz PDDKAMNVQINZRR-GOSISDBHSA-N 1 0 369.490 3.630 20 30 FHEDRO C=CCN(C/C(C)=C/c1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000584199275 938638197 /nfs/dbraw/zinc/63/81/97/938638197.db2.gz ZFSMRMKUAFQLAW-IDKBZEPQSA-N 1 0 373.440 3.784 20 30 FHEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000329739190 938665730 /nfs/dbraw/zinc/66/57/30/938665730.db2.gz NGYDRVIQFRDQTP-JSXRDJHFSA-N 1 0 366.509 3.579 20 30 FHEDRO CC[N@H+](CCNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)CCC(F)(F)F ZINC000425763560 945194819 /nfs/dbraw/zinc/19/48/19/945194819.db2.gz XIKFHTPRWRYSHU-CQSZACIVSA-N 1 0 370.419 3.535 20 30 FHEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000584310533 938680592 /nfs/dbraw/zinc/68/05/92/938680592.db2.gz GRYLOZYBCPYYOC-UHFFFAOYSA-N 1 0 371.525 3.705 20 30 FHEDRO CC[NH+](CC)CCOC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000080698228 938685719 /nfs/dbraw/zinc/68/57/19/938685719.db2.gz XJHMQMDEBSXGEY-UHFFFAOYSA-N 1 0 369.431 3.904 20 30 FHEDRO N#CCc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000506012516 945197128 /nfs/dbraw/zinc/19/71/28/945197128.db2.gz OACSKAXIEFTHAY-IBGZPJMESA-N 1 0 369.415 3.849 20 30 FHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC000080918554 938704042 /nfs/dbraw/zinc/70/40/42/938704042.db2.gz JOYWVQMTLVZIHM-FCHUYYIVSA-N 1 0 361.489 3.561 20 30 FHEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000519183641 945198159 /nfs/dbraw/zinc/19/81/59/945198159.db2.gz JWDNFPOYVUZPEX-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000519206213 945203817 /nfs/dbraw/zinc/20/38/17/945203817.db2.gz QLQAGVUBTMNALV-OAQYLSRUSA-N 1 0 370.541 3.846 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCc3c2cccc3O)C1 ZINC000329789681 938804777 /nfs/dbraw/zinc/80/47/77/938804777.db2.gz CEYDMBHLEVCUPM-SYNHAJSKSA-N 1 0 365.477 3.719 20 30 FHEDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329790064 938807775 /nfs/dbraw/zinc/80/77/75/938807775.db2.gz COAUZGZPFJTCNP-YQVWRLOYSA-N 1 0 356.514 3.518 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCN(CC4CC4)C3)c2)c1 ZINC000108425293 945207421 /nfs/dbraw/zinc/20/74/21/945207421.db2.gz NUOZRBUITVBKIJ-QFIPXVFZSA-N 1 0 361.489 3.711 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000086302638 938843851 /nfs/dbraw/zinc/84/38/51/938843851.db2.gz BOXMBFISXBDJJQ-UHFFFAOYSA-N 1 0 358.486 3.615 20 30 FHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000248759209 938887285 /nfs/dbraw/zinc/88/72/85/938887285.db2.gz GKXKZWJDVPYPOD-WQGACYEGSA-N 1 0 352.265 3.771 20 30 FHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1nc2c(s1)CCCC2 ZINC000093404722 938933620 /nfs/dbraw/zinc/93/36/20/938933620.db2.gz KKKBXSZQSJNGKT-AWEZNQCLSA-N 1 0 367.522 3.608 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000458800933 938941330 /nfs/dbraw/zinc/94/13/30/938941330.db2.gz MEERDEGAARLDMJ-WOJBJXKFSA-N 1 0 354.498 3.691 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000480551021 938971329 /nfs/dbraw/zinc/97/13/29/938971329.db2.gz GQNOMWCUZRQHEP-UHFFFAOYSA-N 1 0 365.502 3.925 20 30 FHEDRO C=C(C)COc1cc(C[N@H+]2CCCC[C@@H]2CCC(=O)NC)ccc1OC ZINC000685446997 938987506 /nfs/dbraw/zinc/98/75/06/938987506.db2.gz BFRBWYICJFJLAY-GOSISDBHSA-N 1 0 360.498 3.531 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000611938672 938993475 /nfs/dbraw/zinc/99/34/75/938993475.db2.gz GTMXXPMLRPFUSQ-OALUTQOASA-N 1 0 364.493 3.993 20 30 FHEDRO Cc1ccncc1[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000611939276 938993757 /nfs/dbraw/zinc/99/37/57/938993757.db2.gz GTNGBYCLJXPYAJ-CQSZACIVSA-N 1 0 368.506 3.881 20 30 FHEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000472336198 938994052 /nfs/dbraw/zinc/99/40/52/938994052.db2.gz DNWZTOKTDSUPEX-PIPMEXSNSA-N 1 0 359.473 3.617 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000171708939 938997354 /nfs/dbraw/zinc/99/73/54/938997354.db2.gz CGICJYKZBHVKMT-ZDUSSCGKSA-N 1 0 355.404 3.716 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648184894 938998701 /nfs/dbraw/zinc/99/87/01/938998701.db2.gz LHPGSRFKRCRYMD-AWEZNQCLSA-N 1 0 368.399 3.675 20 30 FHEDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000480595862 938999349 /nfs/dbraw/zinc/99/93/49/938999349.db2.gz PAEJQFZYVTVTPB-INIZCTEOSA-N 1 0 351.450 3.811 20 30 FHEDRO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000283604217 939003797 /nfs/dbraw/zinc/00/37/97/939003797.db2.gz MJZDFEDXEUSLPH-UHFFFAOYSA-N 1 0 374.920 3.536 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)ccc1OC ZINC000131563507 939004626 /nfs/dbraw/zinc/00/46/26/939004626.db2.gz KYULXNVQAZJUIE-LJQANCHMSA-N 1 0 372.509 3.673 20 30 FHEDRO C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@@H+]1CCc2sccc2C1 ZINC000255620655 939011418 /nfs/dbraw/zinc/01/14/18/939011418.db2.gz ONIYJCUJPALYST-LQFJMUIISA-N 1 0 351.475 3.868 20 30 FHEDRO Cc1cc(C)c(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000892418006 939014917 /nfs/dbraw/zinc/01/49/17/939014917.db2.gz OJZQBUAZKXSTEM-UHFFFAOYSA-N 1 0 367.518 3.560 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(F)c2C#N)CC1 ZINC000188046375 939017353 /nfs/dbraw/zinc/01/73/53/939017353.db2.gz LWGHAKSBDGHFHW-HNNXBMFYSA-N 1 0 351.425 3.653 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612037653 939023391 /nfs/dbraw/zinc/02/33/91/939023391.db2.gz YUVCUVDNQNBLFH-KSEOMHKRSA-N 1 0 374.488 3.980 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[C@@](C)(C#N)C2)CC1 ZINC000612127886 939108075 /nfs/dbraw/zinc/10/80/75/939108075.db2.gz ARDPQDOLEOVZSS-UTKZUKDTSA-N 1 0 354.498 3.547 20 30 FHEDRO N#Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612131626 939118248 /nfs/dbraw/zinc/11/82/48/939118248.db2.gz GIGGEPREGZMAJG-XPWALMASSA-N 1 0 373.500 3.518 20 30 FHEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000102692262 939185208 /nfs/dbraw/zinc/18/52/08/939185208.db2.gz ZLAJTBSBUFERKI-CYBMUJFWSA-N 1 0 357.841 3.818 20 30 FHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)c1cccc(C#N)c1 ZINC000074917864 939188455 /nfs/dbraw/zinc/18/84/55/939188455.db2.gz NTUAVHGGIHONBO-MRXNPFEDSA-N 1 0 368.456 3.532 20 30 FHEDRO O=C(C1CC[NH+](CC#Cc2ccccc2)CC1)N(Cc1ccccc1)C1CC1 ZINC000192109894 939191178 /nfs/dbraw/zinc/19/11/78/939191178.db2.gz VJCPJWSBKDPAAI-UHFFFAOYSA-N 1 0 372.512 3.941 20 30 FHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@]3(C#N)CC34CCCC4)C2)s1 ZINC000516777187 945246595 /nfs/dbraw/zinc/24/65/95/945246595.db2.gz PCMWAURTQDHLHI-DYESRHJHSA-N 1 0 371.550 3.811 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000660566401 945249730 /nfs/dbraw/zinc/24/97/30/945249730.db2.gz BTPNALZXUGDDBG-IBGZPJMESA-N 1 0 359.514 3.515 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000511839475 945256242 /nfs/dbraw/zinc/25/62/42/945256242.db2.gz VMELNHCBZOVVHO-ADHNFCLRSA-N 1 0 362.473 3.566 20 30 FHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000425791488 945260160 /nfs/dbraw/zinc/26/01/60/945260160.db2.gz UOSUBQDYEPFXHQ-BXWFABGCSA-N 1 0 368.481 3.983 20 30 FHEDRO C=CCn1c(CC)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000518261642 945264465 /nfs/dbraw/zinc/26/44/65/945264465.db2.gz MWMLBMVKXOCCCG-PKOBYXMFSA-N 1 0 353.514 3.688 20 30 FHEDRO Cn1nccc1-c1ccccc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000507494140 945265457 /nfs/dbraw/zinc/26/54/57/945265457.db2.gz WKTQUCPHLRCDGC-UHFFFAOYSA-N 1 0 371.488 3.671 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CCCN2CCc3ccccc32)cc1OC ZINC000518270207 945273991 /nfs/dbraw/zinc/27/39/91/945273991.db2.gz VWJGOGADEZQJFE-UHFFFAOYSA-N 1 0 352.478 3.802 20 30 FHEDRO N#Cc1cccc(F)c1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000506040232 945280616 /nfs/dbraw/zinc/28/06/16/945280616.db2.gz KVGUJBUPTIORJU-UHFFFAOYSA-N 1 0 365.452 3.542 20 30 FHEDRO COc1cc(C#N)ccc1C[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000179659469 939912070 /nfs/dbraw/zinc/91/20/70/939912070.db2.gz XONQUFTYKDRWHS-OAHLLOKOSA-N 1 0 373.497 3.692 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000179697261 939923226 /nfs/dbraw/zinc/92/32/26/939923226.db2.gz ZQQWZLSPNDBDMR-GAJHUEQPSA-N 1 0 373.456 3.916 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612296453 939976286 /nfs/dbraw/zinc/97/62/86/939976286.db2.gz GQRPZMWQLHUYDF-HXUWFJFHSA-N 1 0 358.486 3.565 20 30 FHEDRO N#Cc1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000516823747 945286514 /nfs/dbraw/zinc/28/65/14/945286514.db2.gz ARKRABKXHKGMTK-AWEZNQCLSA-N 1 0 356.451 3.852 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)cc1 ZINC000375863784 939986346 /nfs/dbraw/zinc/98/63/46/939986346.db2.gz YHJLDSNIAOJTJE-QFIPXVFZSA-N 1 0 350.462 3.835 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065894188 940029304 /nfs/dbraw/zinc/02/93/04/940029304.db2.gz PTOONFISFUSJOU-UHFFFAOYSA-N 1 0 363.461 3.808 20 30 FHEDRO Cn1cc([C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccccc2)cn1 ZINC000375894008 940031895 /nfs/dbraw/zinc/03/18/95/940031895.db2.gz BRWMXCGIMKHYAS-HSZRJFAPSA-N 1 0 371.488 3.640 20 30 FHEDRO C[C@H](NC(=O)CCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364989852 940034607 /nfs/dbraw/zinc/03/46/07/940034607.db2.gz SJSMUEWJBYYRMG-AVRDEDQJSA-N 1 0 361.489 3.518 20 30 FHEDRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414903340 945292543 /nfs/dbraw/zinc/29/25/43/945292543.db2.gz LKDXYRHHXHTXBH-DCGLDWPTSA-N 1 0 356.857 3.853 20 30 FHEDRO N#Cc1ncn(C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)n1 ZINC000375921839 940065490 /nfs/dbraw/zinc/06/54/90/940065490.db2.gz SONCJTHEXTVICN-UHFFFAOYSA-N 1 0 373.460 3.566 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)C2CCCCC2)cc1 ZINC000612456397 940077902 /nfs/dbraw/zinc/07/79/02/940077902.db2.gz CKOXFINPLMISIJ-QGZVFWFLSA-N 1 0 357.498 3.890 20 30 FHEDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000179893696 940092163 /nfs/dbraw/zinc/09/21/63/940092163.db2.gz UYNAEZAVMMEZIE-LIRRHRJNSA-N 1 0 367.424 3.552 20 30 FHEDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000548936007 940119089 /nfs/dbraw/zinc/11/90/89/940119089.db2.gz GKZWAEYBCQJDST-IAGOWNOFSA-N 1 0 361.489 3.965 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000413810920 940139510 /nfs/dbraw/zinc/13/95/10/940139510.db2.gz ANWIJLKKTKWWPS-OAQYLSRUSA-N 1 0 357.542 3.937 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000053116577 940257935 /nfs/dbraw/zinc/25/79/35/940257935.db2.gz RLVMUBOBWJLIFD-PXAZEXFGSA-N 1 0 356.297 3.868 20 30 FHEDRO Cn1cc(C[NH2+]CCCN2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000180042613 940303077 /nfs/dbraw/zinc/30/30/77/940303077.db2.gz ZWDXUXXBRAGKKY-UHFFFAOYSA-N 1 0 371.488 3.501 20 30 FHEDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180071621 940383033 /nfs/dbraw/zinc/38/30/33/940383033.db2.gz INZBWSQUEDKBAH-UZLBHIALSA-N 1 0 352.482 3.644 20 30 FHEDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180071642 940383075 /nfs/dbraw/zinc/38/30/75/940383075.db2.gz INZBWSQUEDKBAH-JXFKEZNVSA-N 1 0 352.482 3.644 20 30 FHEDRO C[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164280 940397138 /nfs/dbraw/zinc/39/71/38/940397138.db2.gz FCDFINMCGIRRSW-ICSRJNTNSA-N 1 0 364.493 3.547 20 30 FHEDRO C[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164282 940397587 /nfs/dbraw/zinc/39/75/87/940397587.db2.gz FCDFINMCGIRRSW-UYAOXDASSA-N 1 0 364.493 3.547 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000469475052 945322622 /nfs/dbraw/zinc/32/26/22/945322622.db2.gz VAAIKLJHFYZNPX-AWEZNQCLSA-N 1 0 367.396 3.671 20 30 FHEDRO C(#CC[N@@H+]1CCC[C@@H](c2ccccn2)C1)CN1CCC[C@@H](c2ccccn2)C1 ZINC000660625905 945323390 /nfs/dbraw/zinc/32/33/90/945323390.db2.gz LKVJGKXUHGYNCQ-FGZHOGPDSA-N 1 0 374.532 3.539 20 30 FHEDRO N#Cc1cc(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)ccn1 ZINC000580477331 940476433 /nfs/dbraw/zinc/47/64/33/940476433.db2.gz HSBQLIZTDICIIU-HXUWFJFHSA-N 1 0 360.486 3.648 20 30 FHEDRO C=CCC(C)(C)CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000458805560 940492242 /nfs/dbraw/zinc/49/22/42/940492242.db2.gz AUULAJQVGPEMQI-HDICACEKSA-N 1 0 365.562 3.510 20 30 FHEDRO C=CCCCC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)cc1OCC ZINC000507592605 945336864 /nfs/dbraw/zinc/33/68/64/945336864.db2.gz FPXZRFBPHAABDD-UHFFFAOYSA-N 1 0 359.514 3.912 20 30 FHEDRO COc1ccc(C[C@](C)([NH3+])CNc2nc(C(C)(C)C)ccc2C#N)cc1 ZINC000613428187 940698631 /nfs/dbraw/zinc/69/86/31/940698631.db2.gz VERZHHIUNJCSRU-NRFANRHFSA-N 1 0 352.482 3.631 20 30 FHEDRO Cc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N(C)C)cc1 ZINC000180152084 940700125 /nfs/dbraw/zinc/70/01/25/940700125.db2.gz DCJHIMQWSLIODR-JOCHJYFZSA-N 1 0 373.504 3.660 20 30 FHEDRO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(C#N)o2)cc1 ZINC000582574027 940730420 /nfs/dbraw/zinc/73/04/20/940730420.db2.gz ZYIHJLAPPJUPOA-UHFFFAOYSA-N 1 0 364.449 3.839 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#N)c1 ZINC000174442909 940738578 /nfs/dbraw/zinc/73/85/78/940738578.db2.gz DRRBCHDCARNVFP-FQEVSTJZSA-N 1 0 362.477 3.934 20 30 FHEDRO C[C@H](Nc1ccc2cc(C#N)ccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540905957 940750046 /nfs/dbraw/zinc/75/00/46/940750046.db2.gz FJIGJYLTSXZYLS-LAUBAEHRSA-N 1 0 356.473 3.851 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)s2)[NH+]2CCCC2)cc1 ZINC000582599341 940754229 /nfs/dbraw/zinc/75/42/29/940754229.db2.gz PRFKLLLEGQOZCR-LJQANCHMSA-N 1 0 368.506 3.565 20 30 FHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(Br)o1 ZINC000170670767 940774241 /nfs/dbraw/zinc/77/42/41/940774241.db2.gz YFJABAJJXFGSHM-UHFFFAOYSA-N 1 0 351.269 3.937 20 30 FHEDRO COc1c(C)cc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1C ZINC000507605379 945350922 /nfs/dbraw/zinc/35/09/22/945350922.db2.gz AKNRIZQDEJSTOS-UHFFFAOYSA-N 1 0 351.450 3.644 20 30 FHEDRO O=C(NCc1noc(-c2ccccc2F)n1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000330093429 945353136 /nfs/dbraw/zinc/35/31/36/945353136.db2.gz RMRSBFIVYJXZTM-INIZCTEOSA-N 1 0 358.417 3.739 20 30 FHEDRO C#CCCOc1ccc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000376383539 940885664 /nfs/dbraw/zinc/88/56/64/940885664.db2.gz GNVUAJDENWRMMF-UHFFFAOYSA-N 1 0 351.450 3.729 20 30 FHEDRO C=CCCOCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000229879791 940890934 /nfs/dbraw/zinc/89/09/34/940890934.db2.gz BXMXWTMCUFMBIK-UHFFFAOYSA-N 1 0 350.203 3.733 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1cccc(C#N)c1 ZINC000549055312 940904777 /nfs/dbraw/zinc/90/47/77/940904777.db2.gz ONWYKGLCJCLJIT-OAQYLSRUSA-N 1 0 361.489 3.518 20 30 FHEDRO N#Cc1ccccc1N1CCC(C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000376397524 940911560 /nfs/dbraw/zinc/91/15/60/940911560.db2.gz KDJAATGWZHGDLR-NRFANRHFSA-N 1 0 353.510 3.714 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414310941 940941755 /nfs/dbraw/zinc/94/17/55/940941755.db2.gz XNFOMSKKZLZXDR-FXAWDEMLSA-N 1 0 372.534 3.775 20 30 FHEDRO C#CCOc1ccccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000249447066 940947947 /nfs/dbraw/zinc/94/79/47/940947947.db2.gz NLNAFGDQNPFFTD-RBUKOAKNSA-N 1 0 369.509 3.817 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000180312911 940950812 /nfs/dbraw/zinc/95/08/12/940950812.db2.gz OZKOXPJGGCXLLB-UHFFFAOYSA-N 1 0 358.486 3.543 20 30 FHEDRO C=CCN(CC1CCCCC1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659035190 941039423 /nfs/dbraw/zinc/03/94/23/941039423.db2.gz UWDZZPNLCNSISV-FQEVSTJZSA-N 1 0 357.498 3.948 20 30 FHEDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc(SCC#N)c2)CC1 ZINC000176538090 941058582 /nfs/dbraw/zinc/05/85/82/941058582.db2.gz UROKQWGYWBXWTF-UHFFFAOYSA-N 1 0 359.539 3.790 20 30 FHEDRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000180713953 941066812 /nfs/dbraw/zinc/06/68/12/941066812.db2.gz HWCOLTMSHJPZJK-KBPBESRZSA-N 1 0 355.438 3.845 20 30 FHEDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000180709911 941067916 /nfs/dbraw/zinc/06/79/16/941067916.db2.gz SAMFVJWBLIWAKX-CYBMUJFWSA-N 1 0 357.479 3.925 20 30 FHEDRO N#Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c[nH]1 ZINC000181316982 941121504 /nfs/dbraw/zinc/12/15/04/941121504.db2.gz FIVHVYZYSLFZKB-UHFFFAOYSA-N 1 0 362.477 3.547 20 30 FHEDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C1 ZINC000659249975 941134094 /nfs/dbraw/zinc/13/40/94/941134094.db2.gz XLAIVNKNINARKV-LLVKDONJSA-N 1 0 372.284 3.539 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177539327 941135142 /nfs/dbraw/zinc/13/51/42/941135142.db2.gz ILXIYYHOIUMBMK-ZACQAIPSSA-N 1 0 357.523 3.999 20 30 FHEDRO COC(C)(C)CC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926798854 941136551 /nfs/dbraw/zinc/13/65/51/941136551.db2.gz OLGQNOYMMFQKIW-MRXNPFEDSA-N 1 0 367.534 3.711 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659262686 941138054 /nfs/dbraw/zinc/13/80/54/941138054.db2.gz LBPGMWMVVSMBET-HXUWFJFHSA-N 1 0 364.489 3.902 20 30 FHEDRO CN(CC[NH+]1CCCC1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000103118215 941144295 /nfs/dbraw/zinc/14/42/95/941144295.db2.gz NFYWCFGUNDGXAD-UHFFFAOYSA-N 1 0 365.502 3.877 20 30 FHEDRO CCSc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccn1 ZINC000189581140 941162427 /nfs/dbraw/zinc/16/24/27/941162427.db2.gz BGMFHNXURDXJNZ-UHFFFAOYSA-N 1 0 363.490 3.756 20 30 FHEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000659315219 941162690 /nfs/dbraw/zinc/16/26/90/941162690.db2.gz ODPXDQDCKGRHGI-KWQFWETISA-N 1 0 372.284 3.538 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCO[C@H](CF)C3)c2)c1 ZINC000414479625 941330269 /nfs/dbraw/zinc/33/02/69/941330269.db2.gz SFIOXYHMESJNCP-OAQYLSRUSA-N 1 0 354.425 3.698 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659586458 941333309 /nfs/dbraw/zinc/33/33/09/941333309.db2.gz YZNGPYASCXCPQD-OALUTQOASA-N 1 0 373.497 3.731 20 30 FHEDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000414556412 941378173 /nfs/dbraw/zinc/37/81/73/941378173.db2.gz KDKKMWYYZIJPKW-MRXNPFEDSA-N 1 0 368.481 3.540 20 30 FHEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cnccc2C)cc1C ZINC000782999065 941426997 /nfs/dbraw/zinc/42/69/97/941426997.db2.gz LNCIVUUSMAFQAZ-SFHVURJKSA-N 1 0 350.466 3.604 20 30 FHEDRO C=CCN(C(=O)c1ccnc2ccncc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376914257 941462826 /nfs/dbraw/zinc/46/28/26/941462826.db2.gz KIMUPFWDYZSHTD-LJQANCHMSA-N 1 0 372.472 3.533 20 30 FHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCC(C)(C)CCC#N ZINC000376992620 941489069 /nfs/dbraw/zinc/48/90/69/941489069.db2.gz ITBPHEYBZUTVPR-GOSISDBHSA-N 1 0 356.514 3.622 20 30 FHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC(C)(C)CCC#N)CC1 ZINC000377034391 941499013 /nfs/dbraw/zinc/49/90/13/941499013.db2.gz WITLEOLCYBNRMI-UHFFFAOYSA-N 1 0 356.514 3.622 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000415020118 941545172 /nfs/dbraw/zinc/54/51/72/941545172.db2.gz JEVOVPJMLNZLHE-OAQYLSRUSA-N 1 0 364.449 3.908 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000415014376 941546359 /nfs/dbraw/zinc/54/63/59/941546359.db2.gz WXZZDFDJLHFJRG-LJQANCHMSA-N 1 0 364.449 3.990 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC(C[NH3+])CC1 ZINC000415022837 941546801 /nfs/dbraw/zinc/54/68/01/941546801.db2.gz LQOUXOYIHHYILY-UHFFFAOYSA-N 1 0 364.449 3.862 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000415027351 941549517 /nfs/dbraw/zinc/54/95/17/941549517.db2.gz WJKQUKGGSHJZDZ-QGZVFWFLSA-N 1 0 364.449 3.923 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415028985 941551112 /nfs/dbraw/zinc/55/11/12/941551112.db2.gz ZQVDUROJLOPLTD-QGZVFWFLSA-N 1 0 352.438 3.559 20 30 FHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415031735 941555925 /nfs/dbraw/zinc/55/59/25/941555925.db2.gz FFFIVROLPZPXJC-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H]1C[NH3+] ZINC000415038971 941559153 /nfs/dbraw/zinc/55/91/53/941559153.db2.gz MTNMYTHVOKQODR-DOTOQJQBSA-N 1 0 364.449 3.799 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1C[NH3+] ZINC000415038973 941559169 /nfs/dbraw/zinc/55/91/69/941559169.db2.gz MTNMYTHVOKQODR-RDJZCZTQSA-N 1 0 364.449 3.799 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[C@@H]1[NH3+] ZINC000415049999 941566475 /nfs/dbraw/zinc/56/64/75/941566475.db2.gz YMLTZSDPRVUPRO-LIRRHRJNSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000549166714 941572923 /nfs/dbraw/zinc/57/29/23/941572923.db2.gz VCXZOZFCWFRDPR-CYBMUJFWSA-N 1 0 359.832 3.660 20 30 FHEDRO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000549170739 941577689 /nfs/dbraw/zinc/57/76/89/941577689.db2.gz DEAIKCOPRBYSCT-OXJNMPFZSA-N 1 0 365.477 3.875 20 30 FHEDRO Cc1ccc(F)c(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C#N)cc3)C2=O)c1 ZINC000549175081 941582261 /nfs/dbraw/zinc/58/22/61/941582261.db2.gz YMBBHZHSWNKYCN-HNAYVOBHSA-N 1 0 351.425 3.852 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000549174198 941587795 /nfs/dbraw/zinc/58/77/95/941587795.db2.gz PRFWFIKPOQHOKZ-GWWPLSDWSA-N 1 0 352.482 3.528 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000549174199 941587937 /nfs/dbraw/zinc/58/79/37/941587937.db2.gz PRFWFIKPOQHOKZ-JWRWLIQVSA-N 1 0 352.482 3.528 20 30 FHEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000565538803 941618729 /nfs/dbraw/zinc/61/87/29/941618729.db2.gz HPSHVHHZDAHFFM-CHWSQXEVSA-N 1 0 356.401 3.737 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC000415143691 941631657 /nfs/dbraw/zinc/63/16/57/941631657.db2.gz BGWLEYOAVIVBBL-OXJNMPFZSA-N 1 0 364.449 3.990 20 30 FHEDRO C=CCCC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000377306967 941633509 /nfs/dbraw/zinc/63/35/09/941633509.db2.gz RQXKPJJMPGEABN-UHFFFAOYSA-N 1 0 365.315 3.838 20 30 FHEDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415147658 941634464 /nfs/dbraw/zinc/63/44/64/941634464.db2.gz IFNXVHHSILVHME-UHFFFAOYSA-N 1 0 352.438 3.799 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415161579 941643682 /nfs/dbraw/zinc/64/36/82/941643682.db2.gz MSPWLMWAMYOVOP-BZUAXINKSA-N 1 0 360.527 3.967 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])cc2)c1 ZINC000415161567 941643719 /nfs/dbraw/zinc/64/37/19/941643719.db2.gz MROSRZYQCABCTD-JXFKEZNVSA-N 1 0 364.449 3.990 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000472741492 941660022 /nfs/dbraw/zinc/66/00/22/941660022.db2.gz SZCJSWWKEZIQDY-MRXNPFEDSA-N 1 0 366.465 3.599 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000415237519 941692396 /nfs/dbraw/zinc/69/23/96/941692396.db2.gz IWEJBLWORQFLHB-CABCVRRESA-N 1 0 368.412 3.881 20 30 FHEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415238440 941693264 /nfs/dbraw/zinc/69/32/64/941693264.db2.gz LNKYIYKAWPFXQE-SUMWQHHRSA-N 1 0 368.412 3.609 20 30 FHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000415239995 941695022 /nfs/dbraw/zinc/69/50/22/941695022.db2.gz PIFPMCFOBRKWNB-KBPBESRZSA-N 1 0 368.412 3.704 20 30 FHEDRO N#Cc1ccc(CC[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000659841144 941697562 /nfs/dbraw/zinc/69/75/62/941697562.db2.gz LUABRSKPPKCYRF-UHFFFAOYSA-N 1 0 354.400 3.974 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000549247865 941738711 /nfs/dbraw/zinc/73/87/11/941738711.db2.gz FLGANOQGRATBRT-MSOLQXFVSA-N 1 0 357.546 3.822 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(OCc2nccn2C)cc1 ZINC000151143583 941760137 /nfs/dbraw/zinc/76/01/37/941760137.db2.gz HLRINOMHVPQXOS-HNNXBMFYSA-N 1 0 364.424 3.861 20 30 FHEDRO C[C@@H](NC(=[NH2+])Nc1cccc2c1CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000261621788 941781025 /nfs/dbraw/zinc/78/10/25/941781025.db2.gz BKXJJDZGOHXVLL-DLUDVSRJSA-N 1 0 355.507 3.791 20 30 FHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(Cl)cc(C)cc32)C[C@H]1[NH+](C)C ZINC000549262634 941786793 /nfs/dbraw/zinc/78/67/93/941786793.db2.gz YSKMTWJITSFBQU-CVEARBPZSA-N 1 0 360.914 3.550 20 30 FHEDRO Cc1cc(NC(=O)CC(C)(C)C#N)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000377538156 941790051 /nfs/dbraw/zinc/79/00/51/941790051.db2.gz SYWVTZJJFJTKSB-GOSISDBHSA-N 1 0 365.481 3.517 20 30 FHEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549266279 941797123 /nfs/dbraw/zinc/79/71/23/941797123.db2.gz NOKSYCBKLZTJIZ-SFHVURJKSA-N 1 0 369.513 3.796 20 30 FHEDRO C[C@H](NC(=[NH2+])NCc1ncnn1C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000261781788 941807572 /nfs/dbraw/zinc/80/75/72/941807572.db2.gz UCYCCCBPVUBOFF-JTQLQIEISA-N 1 0 369.300 3.505 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@]1(C)C[NH3+] ZINC000415530699 941881260 /nfs/dbraw/zinc/88/12/60/941881260.db2.gz CPRJPWKZPGBDNY-QVKFZJNVSA-N 1 0 364.449 3.799 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000415532680 941883076 /nfs/dbraw/zinc/88/30/76/941883076.db2.gz GWODZXBEWQTTBY-HOTGVXAUSA-N 1 0 364.449 3.942 20 30 FHEDRO CO[C@@H](CC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C(F)(F)F ZINC000468609156 941884340 /nfs/dbraw/zinc/88/43/40/941884340.db2.gz WCXNIEXQGJESCJ-LBPRGKRZSA-N 1 0 363.273 3.824 20 30 FHEDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000893016281 941885895 /nfs/dbraw/zinc/88/58/95/941885895.db2.gz WHBXOWRSRSASRU-CRAIPNDOSA-N 1 0 366.465 3.548 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[NH2+]1 ZINC000415540980 941887170 /nfs/dbraw/zinc/88/71/70/941887170.db2.gz ZQTHPVPRZTXUCF-WMLDXEAASA-N 1 0 350.422 3.613 20 30 FHEDRO N#Cc1cc(NC(=O)NC2CCC([NH3+])CC2)ccc1Oc1ccccc1 ZINC000415537404 941890194 /nfs/dbraw/zinc/89/01/94/941890194.db2.gz PHNPSOWAHDBFPS-UHFFFAOYSA-N 1 0 350.422 3.742 20 30 FHEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460948226 941905225 /nfs/dbraw/zinc/90/52/25/941905225.db2.gz JMEWVOGOEGUCNM-IAGOWNOFSA-N 1 0 371.504 3.969 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000182515156 941938225 /nfs/dbraw/zinc/93/82/25/941938225.db2.gz RGMYSEQLYTVAJF-LBPRGKRZSA-N 1 0 363.339 3.746 20 30 FHEDRO Cc1ccc([C@@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000513457976 941946939 /nfs/dbraw/zinc/94/69/39/941946939.db2.gz MESOCNKWKSQBEV-DEOSSOPVSA-N 1 0 369.468 3.862 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000728711440 941965922 /nfs/dbraw/zinc/96/59/22/941965922.db2.gz AEIPXXVAAOUFKX-FZKQIMNGSA-N 1 0 364.367 3.819 20 30 FHEDRO CC(C)[N@H+](C)CC1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000541173287 941971355 /nfs/dbraw/zinc/97/13/55/941971355.db2.gz OTVUYCUOPXSZIG-UHFFFAOYSA-N 1 0 350.304 3.877 20 30 FHEDRO Cc1cccnc1[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000182877053 941977248 /nfs/dbraw/zinc/97/72/48/941977248.db2.gz YQRKWXKNMNVPFN-WOJBJXKFSA-N 1 0 362.477 3.744 20 30 FHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1 ZINC000513543805 942004734 /nfs/dbraw/zinc/00/47/34/942004734.db2.gz ZOCSBOBOEJTSPX-ZBFHGGJFSA-N 1 0 371.485 3.959 20 30 FHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1 ZINC000513543804 942004921 /nfs/dbraw/zinc/00/49/21/942004921.db2.gz ZOCSBOBOEJTSPX-HOCLYGCPSA-N 1 0 371.485 3.959 20 30 FHEDRO COc1ccccc1[C@H](CNc1ncc(C#N)cc1Cl)[NH+]1CCCC1 ZINC000513619623 942042578 /nfs/dbraw/zinc/04/25/78/942042578.db2.gz NSVOOAGQTQAFNR-KRWDZBQOSA-N 1 0 356.857 3.864 20 30 FHEDRO C=CCOc1cccc(C[NH2+]C[C@@H](c2ccc(C)cc2)N2CCOCC2)c1 ZINC000513632506 942046344 /nfs/dbraw/zinc/04/63/44/942046344.db2.gz QTNOWRSARBYPFT-QHCPKHFHSA-N 1 0 366.505 3.723 20 30 FHEDRO CCC[NH2+]CCNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415813033 942064553 /nfs/dbraw/zinc/06/45/53/942064553.db2.gz ZKYCGYRMXBOYHD-UHFFFAOYSA-N 1 0 354.479 3.831 20 30 FHEDRO C[NH+](C)CCOc1cccc(-c2noc([C@@H]3C[C@H]3c3cccc(C#N)c3)n2)c1 ZINC000420502456 942085869 /nfs/dbraw/zinc/08/58/69/942085869.db2.gz JTRQTYFRMHOTFF-VQTJNVASSA-N 1 0 374.444 3.820 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1nc(C2CCCC2)ns1 ZINC000420606171 942116433 /nfs/dbraw/zinc/11/64/33/942116433.db2.gz WYKGYDHXYIAAHT-UHFFFAOYSA-N 1 0 355.511 3.636 20 30 FHEDRO CCN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501960882 942137576 /nfs/dbraw/zinc/13/75/76/942137576.db2.gz KUKBPMXNGUNZLI-AVRDEDQJSA-N 1 0 361.489 3.785 20 30 FHEDRO C=C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccccc1 ZINC000533930641 942146232 /nfs/dbraw/zinc/14/62/32/942146232.db2.gz UNJKWOYTMNVJFU-IBGZPJMESA-N 1 0 364.489 3.942 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(CC)onc2-c2ccccc2)CC1 ZINC000280594347 942211499 /nfs/dbraw/zinc/21/14/99/942211499.db2.gz UCDDHHHYKYMQSH-UHFFFAOYSA-N 1 0 353.466 3.674 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC2(C#N)CCC2)cc1 ZINC000419406374 942250389 /nfs/dbraw/zinc/25/03/89/942250389.db2.gz IQZLRRMBYWDMGA-KRWDZBQOSA-N 1 0 354.498 3.554 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)ccc1OC ZINC000414488132 942298301 /nfs/dbraw/zinc/29/83/01/942298301.db2.gz QLQWFNDIRWFVIZ-PMACEKPBSA-N 1 0 353.462 3.958 20 30 FHEDRO CCCCSCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159076838 942321427 /nfs/dbraw/zinc/32/14/27/942321427.db2.gz COYOMDDJQVUSOC-UHFFFAOYSA-N 1 0 359.539 3.516 20 30 FHEDRO CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000419632015 942332987 /nfs/dbraw/zinc/33/29/87/942332987.db2.gz FKBOBYYHPQGLCE-HXUWFJFHSA-N 1 0 356.514 3.696 20 30 FHEDRO C[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000502302564 942342834 /nfs/dbraw/zinc/34/28/34/942342834.db2.gz IWNHBDGZXMJDHC-MSOLQXFVSA-N 1 0 366.509 3.620 20 30 FHEDRO C[C@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000419693285 942353950 /nfs/dbraw/zinc/35/39/50/942353950.db2.gz NCPZUTCWOHTQJA-INIZCTEOSA-N 1 0 359.477 3.876 20 30 FHEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000501211291 942354024 /nfs/dbraw/zinc/35/40/24/942354024.db2.gz SIOOYBBJZJJOPC-OAQYLSRUSA-N 1 0 350.462 3.791 20 30 FHEDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000414819532 942398010 /nfs/dbraw/zinc/39/80/10/942398010.db2.gz AJTHLRLSOIFODT-LJQANCHMSA-N 1 0 350.466 3.872 20 30 FHEDRO CCCC[NH+](CCCC)CCNc1ccc(CN(C)/C(C)=N/C#N)cn1 ZINC001167731971 942436919 /nfs/dbraw/zinc/43/69/19/942436919.db2.gz GLXXPCXCBAZIIF-HKOYGPOVSA-N 1 0 358.534 3.727 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1F ZINC000421320729 942480461 /nfs/dbraw/zinc/48/04/61/942480461.db2.gz CMERHZLTLUBUHX-FQEVSTJZSA-N 1 0 373.859 3.514 20 30 FHEDRO N#CC1(c2ccc(Br)cc2)CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001207468024 942480938 /nfs/dbraw/zinc/48/09/38/942480938.db2.gz XMHQMZNGFGGEAN-OAHLLOKOSA-N 1 0 363.299 3.733 20 30 FHEDRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000421359101 942512386 /nfs/dbraw/zinc/51/23/86/942512386.db2.gz VQIDSVNZRHSSEK-NRFANRHFSA-N 1 0 355.457 3.877 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000502563429 942544498 /nfs/dbraw/zinc/54/44/98/942544498.db2.gz OCOXIQRKNPZXTQ-VCTAVGKDSA-N 1 0 371.815 3.679 20 30 FHEDRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1ccc(OCC#N)cc1 ZINC000181488644 942556402 /nfs/dbraw/zinc/55/64/02/942556402.db2.gz XXOFJYYEKDTRHT-QGZVFWFLSA-N 1 0 359.539 3.601 20 30 FHEDRO CC[C@@H]1C[C@@]1([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(C)c1 ZINC000502594709 942568224 /nfs/dbraw/zinc/56/82/24/942568224.db2.gz VPBZBLWFCXILGJ-NQIIRXRSSA-N 1 0 368.502 3.555 20 30 FHEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458809001 942582329 /nfs/dbraw/zinc/58/23/29/942582329.db2.gz ZRDDRZLGIQWEIQ-SLFFLAALSA-N 1 0 354.498 3.547 20 30 FHEDRO C=C1CCC(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)CC1 ZINC001268966797 942604457 /nfs/dbraw/zinc/60/44/57/942604457.db2.gz DHZUYUDIJZICPC-NHCUHLMSSA-N 1 0 361.574 3.528 20 30 FHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(CC#N)cc3)sc2C1 ZINC000425076516 942629658 /nfs/dbraw/zinc/62/96/58/942629658.db2.gz GEWZLGTTWCBYOP-UHFFFAOYSA-N 1 0 354.479 3.618 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000501708195 942631348 /nfs/dbraw/zinc/63/13/48/942631348.db2.gz GPEYXOMFAGFUJI-OALUTQOASA-N 1 0 370.541 3.848 20 30 FHEDRO CCOc1ccc(-c2cn(C3C[NH+](CC(C)(C)CCC#N)C3)nn2)cc1 ZINC000501723812 942633969 /nfs/dbraw/zinc/63/39/69/942633969.db2.gz ZZDVBSDSCBOGEA-UHFFFAOYSA-N 1 0 353.470 3.530 20 30 FHEDRO COc1cc(C[N@@H+]2CCOC[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000513978250 942638244 /nfs/dbraw/zinc/63/82/44/942638244.db2.gz IEAFDQFAHZBDTL-QGZVFWFLSA-N 1 0 366.461 3.614 20 30 FHEDRO C[NH+]=C(NCC1CCSCC1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261844741 942662794 /nfs/dbraw/zinc/66/27/94/942662794.db2.gz WTBJTUJWRBIPTP-KGLIPLIRSA-N 1 0 351.482 3.663 20 30 FHEDRO CN(c1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1)C1CC[NH+](C)CC1 ZINC000122919207 942687953 /nfs/dbraw/zinc/68/79/53/942687953.db2.gz OLKIXPBINOQWAT-UHFFFAOYSA-N 1 0 363.465 3.733 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000434493260 942710339 /nfs/dbraw/zinc/71/03/39/942710339.db2.gz SVMLNNPZFZOSEE-LEWJYISDSA-N 1 0 368.525 3.600 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cccc2cccnc21)C(C)C ZINC000514076773 942721985 /nfs/dbraw/zinc/72/19/85/942721985.db2.gz DZIYSOGTYXJANH-FQEVSTJZSA-N 1 0 366.509 3.733 20 30 FHEDRO C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CCSC2(CCCCC2)C1 ZINC000261918491 942733718 /nfs/dbraw/zinc/73/37/18/942733718.db2.gz KEDJLKIPOBNWMU-AWEZNQCLSA-N 1 0 364.559 3.722 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000367037413 942735007 /nfs/dbraw/zinc/73/50/07/942735007.db2.gz LBHLEWCQVOATGV-RBBKRZOGSA-N 1 0 359.473 3.716 20 30 FHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc(OC)c1O ZINC000514083319 942735728 /nfs/dbraw/zinc/73/57/28/942735728.db2.gz KNNOFLXVDQEVJD-UHFFFAOYSA-N 1 0 361.482 3.683 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)c2ccccc2n1 ZINC000378454405 942782359 /nfs/dbraw/zinc/78/23/59/942782359.db2.gz PLPMUPNJICWDDU-BOLBYERCSA-N 1 0 351.450 3.573 20 30 FHEDRO C[C@H]([NH2+]C1CCN(C(=O)C2CCCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000378458924 942790693 /nfs/dbraw/zinc/79/06/93/942790693.db2.gz STLFOVDIVOGWHN-KRWDZBQOSA-N 1 0 369.509 3.811 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000425124622 942842255 /nfs/dbraw/zinc/84/22/55/942842255.db2.gz FRVVOFIWFQPDHD-SFHVURJKSA-N 1 0 361.489 3.990 20 30 FHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000378528362 942865475 /nfs/dbraw/zinc/86/54/75/942865475.db2.gz SUAYQCIOXUPHNU-OXQOHEQNSA-N 1 0 369.852 3.518 20 30 FHEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466926974 942891011 /nfs/dbraw/zinc/89/10/11/942891011.db2.gz OJVFPLKSXXHBPJ-DLBZAZTESA-N 1 0 369.534 3.916 20 30 FHEDRO N#CCCn1cc(C[NH2+]C[C@H](O)CCc2ccccc2)c(-c2ccccc2)n1 ZINC000273153649 942899522 /nfs/dbraw/zinc/89/95/22/942899522.db2.gz RQYSJUATRKHSHN-JOCHJYFZSA-N 1 0 374.488 3.547 20 30 FHEDRO C=CCn1c(SCC[N@@H+](C)Cc2ccccc2)nnc1-c1ccncc1 ZINC000430106562 942902733 /nfs/dbraw/zinc/90/27/33/942902733.db2.gz RELUONAUUUYGEK-UHFFFAOYSA-N 1 0 365.506 3.750 20 30 FHEDRO C=CCOc1ccccc1CN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000430096620 942910177 /nfs/dbraw/zinc/91/01/77/942910177.db2.gz FSFIYGOLQZSZBB-UHFFFAOYSA-N 1 0 354.425 3.654 20 30 FHEDRO CC[C@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000505508901 942945133 /nfs/dbraw/zinc/94/51/33/942945133.db2.gz YHYZMZWGHBBSEP-VQTJNVASSA-N 1 0 356.514 3.600 20 30 FHEDRO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)C1=O ZINC000434849887 943005716 /nfs/dbraw/zinc/00/57/16/943005716.db2.gz HGZQYTHLQVUHOB-MJGOQNOKSA-N 1 0 365.502 3.995 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 ZINC000509959738 943021194 /nfs/dbraw/zinc/02/11/94/943021194.db2.gz SBYWWSITDNWOQW-OAQYLSRUSA-N 1 0 364.489 3.575 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416699687 943049759 /nfs/dbraw/zinc/04/97/59/943049759.db2.gz YTAANUNHGPYWLY-UTKZUKDTSA-N 1 0 368.525 3.889 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000503200845 943049773 /nfs/dbraw/zinc/04/97/73/943049773.db2.gz VZYHONDSOBXZQT-RBUKOAKNSA-N 1 0 367.497 3.598 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C1CCCCC1 ZINC000505571254 943051203 /nfs/dbraw/zinc/05/12/03/943051203.db2.gz XCBYPDTWBPOWBG-IBGZPJMESA-N 1 0 359.489 3.602 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccc(OCC#N)cc1 ZINC000271901630 943068011 /nfs/dbraw/zinc/06/80/11/943068011.db2.gz VQVFXTUTVIUGBK-QGZVFWFLSA-N 1 0 350.466 3.825 20 30 FHEDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cccn2Cc2ccccc2C#N)C1 ZINC000365832541 943071367 /nfs/dbraw/zinc/07/13/67/943071367.db2.gz OVVRQJNLQWDRBH-FQEVSTJZSA-N 1 0 359.477 3.521 20 30 FHEDRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000543881719 943081721 /nfs/dbraw/zinc/08/17/21/943081721.db2.gz PERZCZDLPJAPRS-UHFFFAOYSA-N 1 0 372.513 3.933 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000435045053 943117351 /nfs/dbraw/zinc/11/73/51/943117351.db2.gz WXMMSUVGSDGQTK-UHFFFAOYSA-N 1 0 359.473 3.502 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000047944027 943123842 /nfs/dbraw/zinc/12/38/42/943123842.db2.gz SHIPVRMGIQQCRJ-IERDGZPVSA-N 1 0 364.493 3.784 20 30 FHEDRO C[C@H](CCNC(=O)c1cc(C#N)ccc1Cl)[N@H+](C)Cc1ccccc1 ZINC000584582069 943136593 /nfs/dbraw/zinc/13/65/93/943136593.db2.gz RAQBUOULSCIWTK-OAHLLOKOSA-N 1 0 355.869 3.852 20 30 FHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000435063976 943136865 /nfs/dbraw/zinc/13/68/65/943136865.db2.gz DGCTZNYJKHQYRC-WNYOCNMUSA-N 1 0 352.409 3.789 20 30 FHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCCC#N)c2ccc(F)cc2)c1 ZINC000272501473 943167196 /nfs/dbraw/zinc/16/71/96/943167196.db2.gz VOJXDYAYWVHHBT-IBGZPJMESA-N 1 0 360.454 3.602 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)C(C)C ZINC000503410699 943169305 /nfs/dbraw/zinc/16/93/05/943169305.db2.gz YHHVMKFTILDGQW-FQEVSTJZSA-N 1 0 367.497 3.692 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2cc(F)c(F)cc21)C(C)C ZINC000503418054 943173866 /nfs/dbraw/zinc/17/38/66/943173866.db2.gz XXLPVAAFYGZPGR-IBGZPJMESA-N 1 0 363.452 3.736 20 30 FHEDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000503467962 943202698 /nfs/dbraw/zinc/20/26/98/943202698.db2.gz VMVJFOBYWLAXPU-IEBWSBKVSA-N 1 0 359.539 3.814 20 30 FHEDRO C[C@H](CCNC(=O)Nc1ccc(F)cc1C#N)[N@H+](C)Cc1ccccc1 ZINC000435160194 943215990 /nfs/dbraw/zinc/21/59/90/943215990.db2.gz ZTAZNYDZMQTJHK-OAHLLOKOSA-N 1 0 354.429 3.729 20 30 FHEDRO C[C@@H](CCNC(=O)Nc1ccc(F)cc1C#N)[N@H+](C)Cc1ccccc1 ZINC000435160193 943216086 /nfs/dbraw/zinc/21/60/86/943216086.db2.gz ZTAZNYDZMQTJHK-HNNXBMFYSA-N 1 0 354.429 3.729 20 30 FHEDRO C=C(C)[C@@H](CC(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@@H+]1CC)OCC ZINC000503497311 943220043 /nfs/dbraw/zinc/22/00/43/943220043.db2.gz PXXJUCLRXXHAOE-TZIWHRDSSA-N 1 0 374.525 3.576 20 30 FHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000466929072 943251449 /nfs/dbraw/zinc/25/14/49/943251449.db2.gz NBUIQMNFDZONLI-QGZVFWFLSA-N 1 0 369.534 3.918 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435267752 943291371 /nfs/dbraw/zinc/29/13/71/943291371.db2.gz KTGGCNTXGUZCTN-GOSISDBHSA-N 1 0 366.509 3.939 20 30 FHEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000425347914 943349455 /nfs/dbraw/zinc/34/94/55/943349455.db2.gz MRJNRKZSYPPRLJ-UHFFFAOYSA-N 1 0 354.841 3.893 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000425368971 943384750 /nfs/dbraw/zinc/38/47/50/943384750.db2.gz YSQYABIYVNIHHJ-HZPDHXFCSA-N 1 0 356.491 3.758 20 30 FHEDRO C[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000503869128 943392135 /nfs/dbraw/zinc/39/21/35/943392135.db2.gz DPNPMWLYBWWXRF-SFHVURJKSA-N 1 0 371.484 3.621 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)cc1 ZINC000514944139 943396467 /nfs/dbraw/zinc/39/64/67/943396467.db2.gz DQRDHJHBOPYDJW-UHFFFAOYSA-N 1 0 368.437 3.799 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc4cc(F)ccc4o3)C2=O)cc1 ZINC000503896153 943397154 /nfs/dbraw/zinc/39/71/54/943397154.db2.gz VSNMXOCMMYIVJD-LJQANCHMSA-N 1 0 363.392 3.729 20 30 FHEDRO CC(C)CC(C)(C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000435417736 943398436 /nfs/dbraw/zinc/39/84/36/943398436.db2.gz NHKXAUUBLKXFBS-UHFFFAOYSA-N 1 0 370.541 3.848 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc1 ZINC000514947255 943414611 /nfs/dbraw/zinc/41/46/11/943414611.db2.gz SIKZOQSOXQCULQ-UHFFFAOYSA-N 1 0 372.831 3.596 20 30 FHEDRO C=CCOc1cccc(CN(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435437108 943415787 /nfs/dbraw/zinc/41/57/87/943415787.db2.gz JCWFLYJQTMLOKE-GOSISDBHSA-N 1 0 357.523 3.628 20 30 FHEDRO C=CCOc1cccc(CN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435444323 943420259 /nfs/dbraw/zinc/42/02/59/943420259.db2.gz WFODUNFTSGMQCQ-LJQANCHMSA-N 1 0 369.534 3.852 20 30 FHEDRO CC(C)(C)c1ncc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000503952692 943434874 /nfs/dbraw/zinc/43/48/74/943434874.db2.gz OTDRKIJEJOWSSY-KRWDZBQOSA-N 1 0 368.506 3.597 20 30 FHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431930550 943449295 /nfs/dbraw/zinc/44/92/95/943449295.db2.gz HMQRPICISWCFHU-VQTJNVASSA-N 1 0 356.514 3.985 20 30 FHEDRO C=CCOCCC(=O)N1C[C@@H]2CC[N@H+](C[C@H](CC)CCCC)CC[C@@H]2C1 ZINC001269982155 943473907 /nfs/dbraw/zinc/47/39/07/943473907.db2.gz HQHYZGLFTOKXRF-NJYVYQBISA-N 1 0 364.574 3.966 20 30 FHEDRO C=CC[C@@H](C)NC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435538555 943474643 /nfs/dbraw/zinc/47/46/43/943474643.db2.gz WVFBAUALHCOENL-APWZRJJASA-N 1 0 367.497 3.725 20 30 FHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000515065669 943483679 /nfs/dbraw/zinc/48/36/79/943483679.db2.gz ZFDOPOFDCLYUHH-UHFFFAOYSA-N 1 0 357.404 3.557 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000425400440 943555651 /nfs/dbraw/zinc/55/56/51/943555651.db2.gz XTFVEFCBXVRFTI-RDTXWAMCSA-N 1 0 356.495 3.625 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000425400438 943555940 /nfs/dbraw/zinc/55/59/40/943555940.db2.gz XTFVEFCBXVRFTI-KSSFIOAISA-N 1 0 356.495 3.625 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000664498064 943570876 /nfs/dbraw/zinc/57/08/76/943570876.db2.gz ULVGNLZOJIIABP-NHCUHLMSSA-N 1 0 371.525 3.590 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000435727897 943571578 /nfs/dbraw/zinc/57/15/78/943571578.db2.gz GYZIRVAHCPSPCZ-XOBRGWDASA-N 1 0 372.421 3.934 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000435738598 943590268 /nfs/dbraw/zinc/59/02/68/943590268.db2.gz BHMAAQRKALTQBI-FOIQADDNSA-N 1 0 361.436 3.838 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)cc1OCc1cccnc1 ZINC000435740000 943590662 /nfs/dbraw/zinc/59/06/62/943590662.db2.gz ICOMOUNDFQKXHU-KNQAVFIVSA-N 1 0 368.477 3.740 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000435746264 943595280 /nfs/dbraw/zinc/59/52/80/943595280.db2.gz VRNGZLFXJFIZDH-ZTNFWEORSA-N 1 0 365.901 3.969 20 30 FHEDRO C#CCOc1cccc(OC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001125906681 943645351 /nfs/dbraw/zinc/64/53/51/943645351.db2.gz HPGRNYNTPTYVGY-UHFFFAOYSA-N 1 0 363.457 3.906 20 30 FHEDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000584809031 943655614 /nfs/dbraw/zinc/65/56/14/943655614.db2.gz APOPLRKUWRLDNH-RUZDIDTESA-N 1 0 366.408 3.745 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000424078030 943711533 /nfs/dbraw/zinc/71/15/33/943711533.db2.gz OZQFDHXZPHWFNV-LLVKDONJSA-N 1 0 353.266 3.684 20 30 FHEDRO CCCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424088121 943724605 /nfs/dbraw/zinc/72/46/05/943724605.db2.gz JCCIVELPJYXLEB-CYBMUJFWSA-N 1 0 356.392 3.877 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000424087722 943724752 /nfs/dbraw/zinc/72/47/52/943724752.db2.gz FKJLRGFMRPRXMV-ROUUACIJSA-N 1 0 359.832 3.706 20 30 FHEDRO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000424094944 943729459 /nfs/dbraw/zinc/72/94/59/943729459.db2.gz MNMXGTRPYFROOH-KDOFPFPSSA-N 1 0 355.413 3.816 20 30 FHEDRO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000424094943 943729607 /nfs/dbraw/zinc/72/96/07/943729607.db2.gz MNMXGTRPYFROOH-KBXCAEBGSA-N 1 0 355.413 3.816 20 30 FHEDRO CC(C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)Cc1ccc(Cl)cc1Cl ZINC000424135210 943747413 /nfs/dbraw/zinc/74/74/13/943747413.db2.gz JCIFEQPNLHANBT-WMLDXEAASA-N 1 0 370.324 3.945 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000424154613 943755231 /nfs/dbraw/zinc/75/52/31/943755231.db2.gz ONELZBWDNWQTQN-WOJBJXKFSA-N 1 0 367.880 3.987 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000424178099 943762244 /nfs/dbraw/zinc/76/22/44/943762244.db2.gz VKUZSHQFGOMSRQ-RXVVDRJESA-N 1 0 366.461 3.628 20 30 FHEDRO COc1cncc(/C=C/CC[N@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000516864949 943778813 /nfs/dbraw/zinc/77/88/13/943778813.db2.gz WCLCCQLTAYXPQG-HWKANZROSA-N 1 0 351.450 3.514 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)N1CCSc2ccccc21 ZINC000516874343 943784531 /nfs/dbraw/zinc/78/45/31/943784531.db2.gz ZMCZZCBVJMNJEE-HUUCEWRRSA-N 1 0 351.475 3.736 20 30 FHEDRO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000515343200 943808340 /nfs/dbraw/zinc/80/83/40/943808340.db2.gz DWCVXGHLMOAIND-HUUCEWRRSA-N 1 0 352.486 3.509 20 30 FHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(F)cc3C#N)CCN2C2CC2)c1 ZINC000549476708 943813303 /nfs/dbraw/zinc/81/33/03/943813303.db2.gz GYKTWGISLBSKJZ-VXKWHMMOSA-N 1 0 365.452 3.774 20 30 FHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000584869553 943825477 /nfs/dbraw/zinc/82/54/77/943825477.db2.gz NFMSRCDZENTTPX-RTBURBONSA-N 1 0 357.498 3.802 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000425416218 943859330 /nfs/dbraw/zinc/85/93/30/943859330.db2.gz KUNLMKDVGXQMFV-IAGOWNOFSA-N 1 0 356.514 3.771 20 30 FHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](C#N)CCc3ccccc3)C2)CC1 ZINC000435924479 943860594 /nfs/dbraw/zinc/86/05/94/943860594.db2.gz AZEIPVRSHVPSHJ-FGZHOGPDSA-N 1 0 367.537 3.729 20 30 FHEDRO C=CCCCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000436010449 943925314 /nfs/dbraw/zinc/92/53/14/943925314.db2.gz HDMFIRHZKXXZEJ-UHFFFAOYSA-N 1 0 353.510 3.880 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573147 943928855 /nfs/dbraw/zinc/92/88/55/943928855.db2.gz ZCIIUEGBZCRIJL-WBVHZDCISA-N 1 0 354.416 3.741 20 30 FHEDRO C[C@@H]1C[C@H](CCNc2nccc(C#N)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000511641564 943929413 /nfs/dbraw/zinc/92/94/13/943929413.db2.gz CFGNPFFXAJOARR-WBVHZDCISA-N 1 0 365.437 3.574 20 30 FHEDRO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000425438384 943936688 /nfs/dbraw/zinc/93/66/88/943936688.db2.gz ANYAUPWTSVWPNY-ROUUACIJSA-N 1 0 364.493 3.781 20 30 FHEDRO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000517042535 943945009 /nfs/dbraw/zinc/94/50/09/943945009.db2.gz XPGLWLVOAOSKLB-LJQANCHMSA-N 1 0 365.525 3.674 20 30 FHEDRO N#CCC[C@@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000417920177 943952914 /nfs/dbraw/zinc/95/29/14/943952914.db2.gz QNIBHFYQVKBCIB-WOJBJXKFSA-N 1 0 350.466 3.811 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000505010616 943967533 /nfs/dbraw/zinc/96/75/33/943967533.db2.gz JMAJRXJNXZHRDC-QGZVFWFLSA-N 1 0 357.498 3.522 20 30 FHEDRO CCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000425853226 944011648 /nfs/dbraw/zinc/01/16/48/944011648.db2.gz VSESPJCCYDTLGC-PIKOESSRSA-N 1 0 354.498 3.546 20 30 FHEDRO CCCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425853273 944011722 /nfs/dbraw/zinc/01/17/22/944011722.db2.gz VXXCKCVMJTVFFM-HBMCJLEFSA-N 1 0 368.525 3.765 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000425457138 944013467 /nfs/dbraw/zinc/01/34/67/944013467.db2.gz XYQJJNNQBCEESJ-FOIQADDNSA-N 1 0 368.456 3.703 20 30 FHEDRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2sccc21 ZINC000515599132 944036122 /nfs/dbraw/zinc/03/61/22/944036122.db2.gz HWPVZRMTVRNWON-NIKGAXFTSA-N 1 0 365.502 3.949 20 30 FHEDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417984245 944037377 /nfs/dbraw/zinc/03/73/77/944037377.db2.gz CYQOKLBBXCMYFN-MGPUTAFESA-N 1 0 350.466 3.569 20 30 FHEDRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417983639 944038198 /nfs/dbraw/zinc/03/81/98/944038198.db2.gz CIFYFPHFKWNSEM-XYJFISCASA-N 1 0 362.477 3.665 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CCOCC1 ZINC000424684408 944045965 /nfs/dbraw/zinc/04/59/65/944045965.db2.gz YZXQDWWCOUMFHS-UHFFFAOYSA-N 1 0 366.889 3.592 20 30 FHEDRO CCC1(CNC(=O)c2cc(C#N)oc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000436152987 944058327 /nfs/dbraw/zinc/05/83/27/944058327.db2.gz OGHKQXJORIONDX-UHFFFAOYSA-N 1 0 365.477 3.882 20 30 FHEDRO N#CCCC1CC[NH+](CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000517232521 944127315 /nfs/dbraw/zinc/12/73/15/944127315.db2.gz AXCFTIZVKYXVJH-UHFFFAOYSA-N 1 0 352.486 3.526 20 30 FHEDRO C=CCC1(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000424801367 944127454 /nfs/dbraw/zinc/12/74/54/944127454.db2.gz WGXIBRQJJSGXTQ-OAQYLSRUSA-N 1 0 356.510 3.530 20 30 FHEDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000517240015 944133583 /nfs/dbraw/zinc/13/35/83/944133583.db2.gz XREHFBLGYHXCMX-UHFFFAOYSA-N 1 0 353.422 3.895 20 30 FHEDRO C=CCC1(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424821859 944140504 /nfs/dbraw/zinc/14/05/04/944140504.db2.gz AZJTYLYUNDVLGH-NRFANRHFSA-N 1 0 370.537 3.778 20 30 FHEDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414914886 944154034 /nfs/dbraw/zinc/15/40/34/944154034.db2.gz YBLXTPBISYAILM-KSSFIOAISA-N 1 0 370.884 3.972 20 30 FHEDRO N#Cc1ccc([C@H](C(N)=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1 ZINC000500158806 944183266 /nfs/dbraw/zinc/18/32/66/944183266.db2.gz JLOPEEISTHZLTL-GOSISDBHSA-N 1 0 371.843 3.699 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000517304352 944198314 /nfs/dbraw/zinc/19/83/14/944198314.db2.gz KKYRSYXNSKPAHR-QGZVFWFLSA-N 1 0 358.526 3.908 20 30 FHEDRO C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000418139095 944198728 /nfs/dbraw/zinc/19/87/28/944198728.db2.gz DIZWTENHFGQXSI-VGSWGCGISA-N 1 0 361.489 3.951 20 30 FHEDRO CCN(C(C)=O)c1nc(CN[C@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000418140776 944203387 /nfs/dbraw/zinc/20/33/87/944203387.db2.gz FUHDEULHLLHTQU-SFHVURJKSA-N 1 0 354.479 3.555 20 30 FHEDRO COc1ccc(-n2cc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cn2)cc1 ZINC000418141929 944204431 /nfs/dbraw/zinc/20/44/31/944204431.db2.gz GPYNWLLBSFKTMK-QFIPXVFZSA-N 1 0 358.445 3.920 20 30 FHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)cc1OC ZINC000436379689 944264525 /nfs/dbraw/zinc/26/45/25/944264525.db2.gz RJFDIOUEJXJHKB-SFHVURJKSA-N 1 0 352.478 3.658 20 30 FHEDRO CSc1nc(C2CC2)cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1C#N ZINC000517395208 944265277 /nfs/dbraw/zinc/26/52/77/944265277.db2.gz XGUOILIKHODNJX-ZIAGYGMSSA-N 1 0 372.538 3.545 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000418215369 944276188 /nfs/dbraw/zinc/27/61/88/944276188.db2.gz MSKRSFDGICWDKF-HXUWFJFHSA-N 1 0 356.514 3.972 20 30 FHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc(F)c1OC)CC2 ZINC001143561231 944276937 /nfs/dbraw/zinc/27/69/37/944276937.db2.gz SUCJHKXASQEMJS-FQEVSTJZSA-N 1 0 364.436 3.507 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000438025001 944292655 /nfs/dbraw/zinc/29/26/55/944292655.db2.gz UOZNSQABNUMVBO-GHTZIAJQSA-N 1 0 358.526 3.995 20 30 FHEDRO COc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)ccc1OCc1cccc(C#N)c1 ZINC000500233041 944302256 /nfs/dbraw/zinc/30/22/56/944302256.db2.gz QZTLSZFARVSGQR-UZLBHIALSA-N 1 0 366.461 3.660 20 30 FHEDRO C=CCCNC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000660368361 944330716 /nfs/dbraw/zinc/33/07/16/944330716.db2.gz ZKRWAJGXNOKFFP-UHFFFAOYSA-N 1 0 355.404 3.545 20 30 FHEDRO O=C(NCC#Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000518438379 944366084 /nfs/dbraw/zinc/36/60/84/944366084.db2.gz IUHBJWRXWPHSJV-NOTZXAQLSA-N 1 0 373.500 3.533 20 30 FHEDRO C=CCn1c(C2CCC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000517627432 944443041 /nfs/dbraw/zinc/44/30/41/944443041.db2.gz RZRGJBPDLMGQLS-GOSISDBHSA-N 1 0 365.525 3.832 20 30 FHEDRO C=CC1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000111807948 944444545 /nfs/dbraw/zinc/44/45/45/944444545.db2.gz OKAJGNFECKBCLX-UHFFFAOYSA-N 1 0 361.917 3.912 20 30 FHEDRO N#Cc1cccc(NC(=O)C2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000517639386 944460077 /nfs/dbraw/zinc/46/00/77/944460077.db2.gz UADWDROAOQYARW-UHFFFAOYSA-N 1 0 356.429 3.962 20 30 FHEDRO C[NH+](C)CC1(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CCCCC1 ZINC000426670029 944505400 /nfs/dbraw/zinc/50/54/00/944505400.db2.gz CGAGIIJUTKZJNP-UXHICEINSA-N 1 0 353.510 3.797 20 30 FHEDRO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCCCC1 ZINC000426670092 944505498 /nfs/dbraw/zinc/50/54/98/944505498.db2.gz CGAGIIJUTKZJNP-VQTJNVASSA-N 1 0 353.510 3.797 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000516180438 944563686 /nfs/dbraw/zinc/56/36/86/944563686.db2.gz KQJCHQPMPFQGDN-SFHVURJKSA-N 1 0 370.541 3.990 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000517745339 944571818 /nfs/dbraw/zinc/57/18/18/944571818.db2.gz LEONMXHUCUEGRX-ROUUACIJSA-N 1 0 359.514 3.513 20 30 FHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1)CC(F)(F)F ZINC000439444352 944623065 /nfs/dbraw/zinc/62/30/65/944623065.db2.gz UNAAOPPZRPAZHX-AWEZNQCLSA-N 1 0 359.823 3.918 20 30 FHEDRO COCCOCCN(Cc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000439449323 944632495 /nfs/dbraw/zinc/63/24/95/944632495.db2.gz GFLREGJXOPVWOF-UHFFFAOYSA-N 1 0 358.869 3.877 20 30 FHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)Oc1ccccc1C#N)c1ccccc1 ZINC000517803971 944650410 /nfs/dbraw/zinc/65/04/10/944650410.db2.gz VARLNTUJZKQHBJ-SJORKVTESA-N 1 0 365.477 3.571 20 30 FHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)Oc1ccccc1C#N)c1ccccc1 ZINC000517803970 944650699 /nfs/dbraw/zinc/65/06/99/944650699.db2.gz VARLNTUJZKQHBJ-IRXDYDNUSA-N 1 0 365.477 3.571 20 30 FHEDRO CSCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000439475618 944656515 /nfs/dbraw/zinc/65/65/15/944656515.db2.gz YWWDGYNIZBGQPA-UHFFFAOYSA-N 1 0 351.541 3.512 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000516298863 944682278 /nfs/dbraw/zinc/68/22/78/944682278.db2.gz ZBHMVEHHZMYBHL-GOSISDBHSA-N 1 0 356.510 3.626 20 30 FHEDRO C[C@H]1CCCC[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000518735273 944687675 /nfs/dbraw/zinc/68/76/75/944687675.db2.gz FUZDVVCQQWPMQT-GHTZIAJQSA-N 1 0 353.510 3.809 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+][C@H]3C[C@H](c4ccc(Cl)c(Cl)c4)C3)cnc12 ZINC000516291023 944698186 /nfs/dbraw/zinc/69/81/86/944698186.db2.gz GDADZBQAOPFJJY-CTYIDZIISA-N 1 0 372.259 3.944 20 30 FHEDRO CCCCCCCC(=O)N1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001270134481 944706324 /nfs/dbraw/zinc/70/63/24/944706324.db2.gz NAZVVTAECBBASX-OAQYLSRUSA-N 1 0 350.547 3.983 20 30 FHEDRO CCCCCCCC(=O)N1C[C@H]2CN(CCCC(F)(F)F)C[C@@H](C1)O2 ZINC001270134722 944709848 /nfs/dbraw/zinc/70/98/48/944709848.db2.gz RNHFFEVULWPWQJ-IYBDPMFKSA-N 1 0 364.452 3.601 20 30 FHEDRO Cc1cccc2c1C[N@H+](Cc1cc(=O)n3c4ccccc4[nH]c3c1C#N)CC2 ZINC000759881925 944719259 /nfs/dbraw/zinc/71/92/59/944719259.db2.gz ZNBDKJQKARKZKR-GOSISDBHSA-N 1 0 368.440 3.590 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cc(Cl)ccc1Cl ZINC000426729878 944738293 /nfs/dbraw/zinc/73/82/93/944738293.db2.gz HOFHLYFTNQFUDU-IUODEOHRSA-N 1 0 365.260 3.956 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000426423326 944751129 /nfs/dbraw/zinc/75/11/29/944751129.db2.gz YJNPCLOQJLEGRD-MISYRCLQSA-N 1 0 358.526 3.993 20 30 FHEDRO C=CCNC(=O)[C@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000516379046 944781972 /nfs/dbraw/zinc/78/19/72/944781972.db2.gz STXKLFNIWANLOE-AWEZNQCLSA-N 1 0 354.416 3.798 20 30 FHEDRO N#Cc1ccc2nc(NCc3ccccc3C[NH+]3CCC(O)CC3)ccc2c1 ZINC000092917762 944801042 /nfs/dbraw/zinc/80/10/42/944801042.db2.gz VPRMWGRVVHDIIY-UHFFFAOYSA-N 1 0 372.472 3.675 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000566787211 944843606 /nfs/dbraw/zinc/84/36/06/944843606.db2.gz LHXZPPXIVONKDN-CTNGQTDRSA-N 1 0 366.509 3.596 20 30 FHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425665603 944872794 /nfs/dbraw/zinc/87/27/94/944872794.db2.gz VYMPECWNIUNOFT-QGZVFWFLSA-N 1 0 364.493 3.913 20 30 FHEDRO N#Cc1ccc(NC(=O)NCC[NH+]2CCCCCC2)cc1C(F)(F)F ZINC000438641935 944875857 /nfs/dbraw/zinc/87/58/57/944875857.db2.gz OQNKBAVVMHYUGU-UHFFFAOYSA-N 1 0 354.376 3.575 20 30 FHEDRO CCC(CC)(CNC(=O)N[C@@H]1CC[C@H](C#N)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000425672628 944877663 /nfs/dbraw/zinc/87/76/63/944877663.db2.gz LFRSNORZDLORKN-JENIJYKNSA-N 1 0 356.514 3.887 20 30 FHEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)c1 ZINC000506651599 944883436 /nfs/dbraw/zinc/88/34/36/944883436.db2.gz BSMTUALDSPTVLE-UHFFFAOYSA-N 1 0 365.473 3.958 20 30 FHEDRO C=CCNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1cccc(C)c1 ZINC000028776830 944887604 /nfs/dbraw/zinc/88/76/04/944887604.db2.gz NHIAABXDRLTMJD-UHFFFAOYSA-O 1 0 353.511 3.922 20 30 FHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000505928841 944908865 /nfs/dbraw/zinc/90/88/65/944908865.db2.gz VOGMJKJKCQWEAV-UHFFFAOYSA-N 1 0 368.868 3.606 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000518008079 944912166 /nfs/dbraw/zinc/91/21/66/944912166.db2.gz SMXSJFWHKIZOGJ-UHFFFAOYSA-N 1 0 366.303 3.920 20 30 FHEDRO COc1cc2c(c(OC)c1OC)CC[N@@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000432030602 944936141 /nfs/dbraw/zinc/93/61/41/944936141.db2.gz GRFVSOGQGOHJOT-OAHLLOKOSA-N 1 0 366.461 3.746 20 30 FHEDRO CCCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001270164499 944957057 /nfs/dbraw/zinc/95/70/57/944957057.db2.gz YQZWCQYVYQQZHL-BGYRXZFFSA-N 1 0 360.546 3.831 20 30 FHEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1OCC(C)C ZINC000516516152 944964507 /nfs/dbraw/zinc/96/45/07/944964507.db2.gz KLGCYZDFKXITKW-UHFFFAOYSA-N 1 0 354.450 3.900 20 30 FHEDRO CC(C)COC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438723452 944970615 /nfs/dbraw/zinc/97/06/15/944970615.db2.gz LHPWQYIEUSIYJK-JOCHJYFZSA-N 1 0 370.468 3.733 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511739311 944973003 /nfs/dbraw/zinc/97/30/03/944973003.db2.gz BTXIANJYMSOQBA-NRFANRHFSA-N 1 0 361.489 3.897 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000058451924 944982481 /nfs/dbraw/zinc/98/24/81/944982481.db2.gz YYATUDPBTAFQEK-UHFFFAOYSA-N 1 0 354.498 3.987 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000518079651 944998849 /nfs/dbraw/zinc/99/88/49/944998849.db2.gz NTLGSEAGPGSMJB-OALUTQOASA-N 1 0 370.541 3.989 20 30 FHEDRO N#Cc1ccc(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)nc1 ZINC000518995750 945009119 /nfs/dbraw/zinc/00/91/19/945009119.db2.gz IBPCUEXIKHZHMK-UHFFFAOYSA-N 1 0 366.468 3.841 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)C[C@H]1[NH3+] ZINC000414898123 945020706 /nfs/dbraw/zinc/02/07/06/945020706.db2.gz DDBLXBYXLIZTFR-XVGQJIODSA-N 1 0 368.868 3.806 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NCC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000432083981 945026202 /nfs/dbraw/zinc/02/62/02/945026202.db2.gz BJRNVHYSOOREKL-QGZVFWFLSA-N 1 0 369.431 3.672 20 30 FHEDRO COc1cc(C#N)ccc1CN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000120816829 945030873 /nfs/dbraw/zinc/03/08/73/945030873.db2.gz XXHHWYRBSUICNG-GOSISDBHSA-N 1 0 350.418 3.675 20 30 FHEDRO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000519594103 945034495 /nfs/dbraw/zinc/03/44/95/945034495.db2.gz CWGSXWAITBHNKR-DEXHYYOUSA-N 1 0 364.489 3.744 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425723245 945039327 /nfs/dbraw/zinc/03/93/27/945039327.db2.gz CBKQKJSGFSIDIV-HKUYNNGSSA-N 1 0 356.514 3.629 20 30 FHEDRO N#Cc1ccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c(OC(F)F)c1 ZINC000437138124 945048547 /nfs/dbraw/zinc/04/85/47/945048547.db2.gz PBUHJKUQWBBTPB-GOSISDBHSA-N 1 0 358.388 3.641 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000660673960 945378166 /nfs/dbraw/zinc/37/81/66/945378166.db2.gz BFYQFOIFIUHMEZ-NMLBUPMWSA-N 1 0 365.562 3.558 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC(=O)NCc2ccccc2)CC1 ZINC000507640127 945386389 /nfs/dbraw/zinc/38/63/89/945386389.db2.gz ZMXOCPNKRAGQCO-UHFFFAOYSA-N 1 0 361.489 3.687 20 30 FHEDRO C[C@@H]1C(=O)Nc2cc(C(=O)NC3CC[NH+](C4CCCC4)CC3)ccc2N1C ZINC000330221179 945408568 /nfs/dbraw/zinc/40/85/68/945408568.db2.gz LJZNAAKHAOVWCQ-CQSZACIVSA-N 1 0 370.497 3.825 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+]1C ZINC000438021922 945410799 /nfs/dbraw/zinc/41/07/99/945410799.db2.gz GTSSWKHWIVKQMQ-CRAIPNDOSA-N 1 0 364.449 3.955 20 30 FHEDRO COc1ccc(Cl)cc1NC(=O)CN1CCOC[C@@H](C2CCC2)C1 ZINC000330229628 945413005 /nfs/dbraw/zinc/41/30/05/945413005.db2.gz DCXCYVWXOUKMLJ-AWEZNQCLSA-N 1 0 352.862 3.685 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000330245342 945421756 /nfs/dbraw/zinc/42/17/56/945421756.db2.gz KRCZRVZKCAEHMX-GOEBONIOSA-N 1 0 365.543 3.772 20 30 FHEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000330251138 945424971 /nfs/dbraw/zinc/42/49/71/945424971.db2.gz NHNIZOUZTISTRA-GOSISDBHSA-N 1 0 359.514 3.980 20 30 FHEDRO Cc1cccc(C(=O)NCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507660508 945430281 /nfs/dbraw/zinc/43/02/81/945430281.db2.gz NMBWZDLVEJNPDD-UHFFFAOYSA-N 1 0 361.489 3.719 20 30 FHEDRO Cc1cccc(OC[C@@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507661309 945431429 /nfs/dbraw/zinc/43/14/29/945431429.db2.gz SZIASMIEGPISGZ-QKDPSFTKSA-N 1 0 364.489 3.729 20 30 FHEDRO O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330301827 945507531 /nfs/dbraw/zinc/50/75/31/945507531.db2.gz OAKAIGAWZGAADD-GOSISDBHSA-N 1 0 358.482 3.754 20 30 FHEDRO Cc1c2cc(F)ccc2oc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000330308679 945510692 /nfs/dbraw/zinc/51/06/92/945510692.db2.gz MKAUNRAPVYEZPC-UHFFFAOYSA-N 1 0 359.445 3.758 20 30 FHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@H]3CCCC[C@@H]3O)o2)cc1 ZINC000281065645 945515051 /nfs/dbraw/zinc/51/50/51/945515051.db2.gz SKSKANINAHRDNE-QRVBRYPASA-N 1 0 366.465 3.514 20 30 FHEDRO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1C#N)C2 ZINC001270803118 945551256 /nfs/dbraw/zinc/55/12/56/945551256.db2.gz GNUNBKHVTHXDAF-GGPKGHCWSA-N 1 0 353.510 3.921 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1 ZINC000281217825 945557168 /nfs/dbraw/zinc/55/71/68/945557168.db2.gz TWBAHQTUUKDBPR-RDJZCZTQSA-N 1 0 350.890 3.727 20 30 FHEDRO C[C@H](C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[NH+]1CCCCCC1 ZINC000330329690 945569129 /nfs/dbraw/zinc/56/91/29/945569129.db2.gz MTXWCGYPCJTUDE-KGLIPLIRSA-N 1 0 372.435 3.685 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000660936795 945588196 /nfs/dbraw/zinc/58/81/96/945588196.db2.gz CHLXNKNLLHLZHJ-ROUUACIJSA-N 1 0 356.514 3.605 20 30 FHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCCC3(C#N)CCOCC3)ccc2NC1=O ZINC000281420444 945627438 /nfs/dbraw/zinc/62/74/38/945627438.db2.gz BPYKJFDVTIQKPD-MAUKXSAKSA-N 1 0 371.481 3.547 20 30 FHEDRO CC1(c2ccc(Br)cc2)CC[NH+](CCOCCC#N)CC1 ZINC000550058536 945636948 /nfs/dbraw/zinc/63/69/48/945636948.db2.gz PQPYNANESJTDOJ-UHFFFAOYSA-N 1 0 351.288 3.733 20 30 FHEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000519664820 945637550 /nfs/dbraw/zinc/63/75/50/945637550.db2.gz YEILJILAFVPMSF-DJJJIMSYSA-N 1 0 354.841 3.725 20 30 FHEDRO Cc1nn(C(C)C)c(C)c1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000894451129 945667436 /nfs/dbraw/zinc/66/74/36/945667436.db2.gz CGUZSIOBVCSAIN-UHFFFAOYSA-N 1 0 353.514 3.516 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccccc1 ZINC000027311645 945694849 /nfs/dbraw/zinc/69/48/49/945694849.db2.gz BKWOVBBLYIINDP-UHFFFAOYSA-O 1 0 351.451 3.825 20 30 FHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)c(C)c(C)c1C)C(=S)NC ZINC000027302027 945702875 /nfs/dbraw/zinc/70/28/75/945702875.db2.gz FBLSRHQPGHXVBT-UHFFFAOYSA-O 1 0 355.527 3.928 20 30 FHEDRO Cc1cc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)ccc1C#N ZINC000443999121 945702978 /nfs/dbraw/zinc/70/29/78/945702978.db2.gz XVGHJEQITFSEOK-QGZVFWFLSA-N 1 0 373.294 3.570 20 30 FHEDRO Cc1cc(C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)ccc1C#N ZINC000444002549 945711130 /nfs/dbraw/zinc/71/11/30/945711130.db2.gz ONRDOEQDJNHKBF-SFHVURJKSA-N 1 0 357.816 3.554 20 30 FHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC000651711550 945741717 /nfs/dbraw/zinc/74/17/17/945741717.db2.gz MQXDLEYQPPJEOZ-VQIMIIECSA-N 1 0 372.509 3.643 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000661116745 945747815 /nfs/dbraw/zinc/74/78/15/945747815.db2.gz ZTXMAMVHGFCKCY-FXAWDEMLSA-N 1 0 369.509 3.867 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000661117875 945750051 /nfs/dbraw/zinc/75/00/51/945750051.db2.gz UTSWCYPCUZHMNK-NVXWUHKLSA-N 1 0 372.538 3.745 20 30 FHEDRO CCOc1cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)ccc1OC(F)F ZINC000281772781 945849475 /nfs/dbraw/zinc/84/94/75/945849475.db2.gz SNQOWVAVNHQBEQ-UHFFFAOYSA-N 1 0 362.376 3.857 20 30 FHEDRO Cc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)n2c3ccccc3nc2c1C#N ZINC000519888416 945858551 /nfs/dbraw/zinc/85/85/51/945858551.db2.gz USDKGSJEYDPKPJ-UHFFFAOYSA-N 1 0 361.493 3.978 20 30 FHEDRO CC1(C)CN(CC#CCN2CC(C)(C)[C@H]2c2cccnc2)[C@@H]1c1cccnc1 ZINC000664825021 945883701 /nfs/dbraw/zinc/88/37/01/945883701.db2.gz ZNYUMDJZACLYTN-FGZHOGPDSA-N 1 0 374.532 3.946 20 30 FHEDRO CC1(C)C[N@H+](CCCC2(C#N)CCOCC2)CCN1Cc1ccccc1 ZINC000281880694 945901451 /nfs/dbraw/zinc/90/14/51/945901451.db2.gz DADNFFLFYZZLCW-UHFFFAOYSA-N 1 0 355.526 3.683 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000281902682 945923927 /nfs/dbraw/zinc/92/39/27/945923927.db2.gz BQQQOLXSTCUBIJ-GOSISDBHSA-N 1 0 360.523 3.842 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)CC)cc1OCC ZINC000111384943 945938196 /nfs/dbraw/zinc/93/81/96/945938196.db2.gz VNOIGNHZQWJWQE-KRWDZBQOSA-N 1 0 372.303 3.663 20 30 FHEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281944419 945970543 /nfs/dbraw/zinc/97/05/43/945970543.db2.gz JCGVMEVKDHBTJI-LJQANCHMSA-N 1 0 366.509 3.910 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCCC)cc1OC ZINC000522849724 945986101 /nfs/dbraw/zinc/98/61/01/945986101.db2.gz QLFWGIKVGCKRBJ-GOSISDBHSA-N 1 0 360.498 3.644 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000661329196 945998892 /nfs/dbraw/zinc/99/88/92/945998892.db2.gz OLRYNUUNSOJHGA-OAQYLSRUSA-N 1 0 355.526 3.595 20 30 FHEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000651813902 946004701 /nfs/dbraw/zinc/00/47/01/946004701.db2.gz CCAFPHDXARFBIR-WMZOPIPTSA-N 1 0 367.493 3.890 20 30 FHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC001126576761 946006148 /nfs/dbraw/zinc/00/61/48/946006148.db2.gz RXMLVGZXEBBYOQ-MLUDITRGSA-N 1 0 359.473 3.867 20 30 FHEDRO CN(C)C(=O)c1ccccc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000417963090 946026109 /nfs/dbraw/zinc/02/61/09/946026109.db2.gz CWNZPIBTQKJWEG-UHFFFAOYSA-N 1 0 360.379 3.549 20 30 FHEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)C1 ZINC000661382181 946049428 /nfs/dbraw/zinc/04/94/28/946049428.db2.gz UBFIICRIABJQPY-PKOBYXMFSA-N 1 0 372.509 3.655 20 30 FHEDRO CCC[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729484144 946061420 /nfs/dbraw/zinc/06/14/20/946061420.db2.gz PXRYLTUXEQVDPP-KRWDZBQOSA-N 1 0 361.461 3.919 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)NCC1CCC(C#N)CC1)c1ccccc1 ZINC000441017067 946119358 /nfs/dbraw/zinc/11/93/58/946119358.db2.gz WUOQZLBLHZHCAG-AFMYVXGZSA-N 1 0 356.514 3.699 20 30 FHEDRO N#CCCCn1cc(C(=O)NCCCNc2ccccn2)c2ccccc21 ZINC000444246736 946119569 /nfs/dbraw/zinc/11/95/69/946119569.db2.gz LZQNKVOHVCMNAX-UHFFFAOYSA-N 1 0 361.449 3.572 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000522975103 946194841 /nfs/dbraw/zinc/19/48/41/946194841.db2.gz POWWUYHQYJXOOK-IBGZPJMESA-N 1 0 373.497 3.926 20 30 FHEDRO C=C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000662867826 946207292 /nfs/dbraw/zinc/20/72/92/946207292.db2.gz MHOUWOPATONBIX-WTNAPCKOSA-N 1 0 364.489 3.617 20 30 FHEDRO CCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000520171694 946224994 /nfs/dbraw/zinc/22/49/94/946224994.db2.gz ZJDZIMKOHKMKGS-DENIHFKCSA-N 1 0 350.462 3.697 20 30 FHEDRO CSC[C@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000925097093 946225076 /nfs/dbraw/zinc/22/50/76/946225076.db2.gz QELMMJCHAMWQRB-CABCVRRESA-N 1 0 355.548 3.647 20 30 FHEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103165173 946226907 /nfs/dbraw/zinc/22/69/07/946226907.db2.gz UMXYUACIGUCOGN-HOTGVXAUSA-N 1 0 356.441 3.746 20 30 FHEDRO CC(C)C[N@H+](CC(=O)N1c2ccccc2C[C@H]1C)Cc1ccc(C#N)cc1 ZINC000520173977 946228591 /nfs/dbraw/zinc/22/85/91/946228591.db2.gz LPCIKQHOMNJCEF-GOSISDBHSA-N 1 0 361.489 3.994 20 30 FHEDRO C=CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000661570533 946286112 /nfs/dbraw/zinc/28/61/12/946286112.db2.gz GYKCZMUZEOZTRG-NVXWUHKLSA-N 1 0 369.431 3.964 20 30 FHEDRO COc1c(C)cc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)cc1C ZINC000101566264 946349611 /nfs/dbraw/zinc/34/96/11/946349611.db2.gz OMPMPHSECJGTMH-UHFFFAOYSA-N 1 0 351.450 3.644 20 30 FHEDRO C[NH+](C)CCOc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1 ZINC000475472162 946354743 /nfs/dbraw/zinc/35/47/43/946354743.db2.gz VYVQDCKOVQURBL-SFHVURJKSA-N 1 0 351.450 3.653 20 30 FHEDRO C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508472304 946362339 /nfs/dbraw/zinc/36/23/39/946362339.db2.gz JODIGVAOQZJBQG-INIZCTEOSA-N 1 0 373.932 3.953 20 30 FHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(C#N)cs1 ZINC000520293960 946372806 /nfs/dbraw/zinc/37/28/06/946372806.db2.gz MANQJFNEQOKYMP-UHFFFAOYSA-N 1 0 350.285 3.888 20 30 FHEDRO C[C@@H](CNc1nc(C(F)(F)F)ccc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000609669252 946374886 /nfs/dbraw/zinc/37/48/86/946374886.db2.gz BHXMDTVHRCNGJU-NSHDSACASA-N 1 0 366.412 3.892 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441274247 946386018 /nfs/dbraw/zinc/38/60/18/946386018.db2.gz BQDZRXDFMOOFMJ-SJORKVTESA-N 1 0 353.384 3.685 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000475108964 946389561 /nfs/dbraw/zinc/38/95/61/946389561.db2.gz PKZKQXHJOJBHRT-QWFCFKBJSA-N 1 0 355.526 3.947 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043168125 946409355 /nfs/dbraw/zinc/40/93/55/946409355.db2.gz JWYZLRIOTHOYIM-IBGZPJMESA-N 1 0 353.466 3.814 20 30 FHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000475106909 946411801 /nfs/dbraw/zinc/41/18/01/946411801.db2.gz JQUKYCUSTXLDNF-IRXDYDNUSA-N 1 0 355.526 3.974 20 30 FHEDRO [NH2+]=C(NC[C@@H](c1ccccc1)C(F)(F)F)N[C@H]1CCOc2ccccc21 ZINC000262429334 946439305 /nfs/dbraw/zinc/43/93/05/946439305.db2.gz IYEBDWWZIYEQMF-HOTGVXAUSA-N 1 0 363.383 3.761 20 30 FHEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000441336190 946442287 /nfs/dbraw/zinc/44/22/87/946442287.db2.gz ZYXXJZKQXSWSJO-AKIFATBCSA-N 1 0 364.489 3.875 20 30 FHEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000441336189 946442344 /nfs/dbraw/zinc/44/23/44/946442344.db2.gz ZYXXJZKQXSWSJO-ACIOBRDBSA-N 1 0 364.489 3.875 20 30 FHEDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000441332196 946463742 /nfs/dbraw/zinc/46/37/42/946463742.db2.gz QLKFLQAJHGNLSG-YADHBBJMSA-N 1 0 361.489 3.751 20 30 FHEDRO C=CCc1cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc(OC)c1OC ZINC000520360847 946493106 /nfs/dbraw/zinc/49/31/06/946493106.db2.gz OBEUZWYYJXKYAT-UHFFFAOYSA-N 1 0 374.525 3.626 20 30 FHEDRO N#CCCn1cc(C[NH+]2CCC(O)(C3CCC3)CC2)c(-c2ccccc2)n1 ZINC000897035201 946504447 /nfs/dbraw/zinc/50/44/47/946504447.db2.gz PYUDZCVBMFWLTI-UHFFFAOYSA-N 1 0 364.493 3.591 20 30 FHEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823894135 946504651 /nfs/dbraw/zinc/50/46/51/946504651.db2.gz INVMOVFQOYIQIA-FOIQADDNSA-N 1 0 363.465 3.511 20 30 FHEDRO C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)Cn1cccn1 ZINC000066905398 946505158 /nfs/dbraw/zinc/50/51/58/946505158.db2.gz JUJIYCQSDVJHOJ-GOSISDBHSA-N 1 0 360.461 3.760 20 30 FHEDRO CN(C)c1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000066905261 946506071 /nfs/dbraw/zinc/50/60/71/946506071.db2.gz HIOIJDXSNLUYOQ-UHFFFAOYSA-N 1 0 372.472 3.888 20 30 FHEDRO N#CC1CCC(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000441367646 946515741 /nfs/dbraw/zinc/51/57/41/946515741.db2.gz IISPHRUOSGMGQA-UHFFFAOYSA-N 1 0 351.244 3.597 20 30 FHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc(C)ccc1OC ZINC000093404726 946539659 /nfs/dbraw/zinc/53/96/59/946539659.db2.gz YNNHRKDYWSWFBP-FQEVSTJZSA-N 1 0 364.493 3.980 20 30 FHEDRO FC1(F)[C@H]2C[N@H+](C[C@H]3CCSC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897054495 946540419 /nfs/dbraw/zinc/54/04/19/946540419.db2.gz IBCRWPOAHMLIKO-HLTSFMKQSA-N 1 0 369.321 3.842 20 30 FHEDRO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)C(C)(C)C ZINC000661755359 946591729 /nfs/dbraw/zinc/59/17/29/946591729.db2.gz PMMLSGTWTJNMHT-GOSISDBHSA-N 1 0 360.498 3.654 20 30 FHEDRO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508492244 946658601 /nfs/dbraw/zinc/65/86/01/946658601.db2.gz ISXQJMCFJLEVEZ-KRWDZBQOSA-N 1 0 353.514 3.608 20 30 FHEDRO CC[N@H+](C)CCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000609732080 946659160 /nfs/dbraw/zinc/65/91/60/946659160.db2.gz UIZPBJNFYLSIKX-UHFFFAOYSA-N 1 0 357.841 3.685 20 30 FHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508491630 946676938 /nfs/dbraw/zinc/67/69/38/946676938.db2.gz UEEZIZWLOWVWBO-UHFFFAOYSA-N 1 0 365.525 3.752 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000473148518 946679011 /nfs/dbraw/zinc/67/90/11/946679011.db2.gz ANRXNAQIHRRSOP-UHFFFAOYSA-N 1 0 367.399 3.954 20 30 FHEDRO C=CCn1c(SCC[C@H]2CCC[N@H+]2C)nc2cc(Cl)ccc2c1=O ZINC000432233703 946707012 /nfs/dbraw/zinc/70/70/12/946707012.db2.gz AZLHHMVRKFMYTC-CQSZACIVSA-N 1 0 363.914 3.812 20 30 FHEDRO CCN(CC)C(=[NH2+])NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000303988345 946753470 /nfs/dbraw/zinc/75/34/70/946753470.db2.gz WMNCKTWZSZJRQR-UHFFFAOYSA-N 1 0 361.493 3.755 20 30 FHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000909600709 946756482 /nfs/dbraw/zinc/75/64/82/946756482.db2.gz GSBIGQFTUPGZBS-UHFFFAOYSA-N 1 0 353.441 3.984 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CCCC1 ZINC000661861452 946775557 /nfs/dbraw/zinc/77/55/57/946775557.db2.gz AHABGGIVVTYUSR-INIZCTEOSA-N 1 0 360.498 3.668 20 30 FHEDRO C=CCC1([NH2+]CC(=O)Nc2cc(C)ccc2-c2n[nH]c(C)n2)CCCC1 ZINC000661862981 946780091 /nfs/dbraw/zinc/78/00/91/946780091.db2.gz LNAYZOFROCAVAO-UHFFFAOYSA-N 1 0 353.470 3.506 20 30 FHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC001203425938 946831293 /nfs/dbraw/zinc/83/12/93/946831293.db2.gz UOKLFMBFNHTSOK-UHFFFAOYSA-N 1 0 358.482 3.696 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473155801 946840976 /nfs/dbraw/zinc/84/09/76/946840976.db2.gz BPPYZNNIFUJLKA-UHFFFAOYSA-N 1 0 367.399 3.954 20 30 FHEDRO C[C@H]1Cc2cc(-c3ccc(CNC(=[NH2+])Nc4ccccn4)cc3)ccc2O1 ZINC000179109918 946858037 /nfs/dbraw/zinc/85/80/37/946858037.db2.gz NLMNBYRBIYGSRR-HNNXBMFYSA-N 1 0 358.445 3.999 20 30 FHEDRO Cc1ccc(CNC(=[NH2+])NC2CCCCCC2)c(OC[C@H]2CCCO2)c1 ZINC000305739595 946864899 /nfs/dbraw/zinc/86/48/99/946864899.db2.gz BMVJVXMBAYYCPO-LJQANCHMSA-N 1 0 359.514 3.680 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)c1ccco1 ZINC000475316958 946881340 /nfs/dbraw/zinc/88/13/40/946881340.db2.gz IMKXKLDKRZFPSF-RBUKOAKNSA-N 1 0 353.466 3.866 20 30 FHEDRO Cc1ccc(NC(=[NH2+])NCc2cc3c(cc2OC(F)F)OCO3)cc1C ZINC000262471486 946907611 /nfs/dbraw/zinc/90/76/11/946907611.db2.gz ZBQPNKODPAFVEU-UHFFFAOYSA-N 1 0 363.364 3.560 20 30 FHEDRO Cc1cc(NC(=O)c2cccc(C#N)c2Br)ccc1C[NH+](C)C ZINC001142008298 946913643 /nfs/dbraw/zinc/91/36/43/946913643.db2.gz VPKOPTZALXNSOV-UHFFFAOYSA-N 1 0 372.266 3.943 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC(c4c[nH]cn4)CC3)CC2)CC1 ZINC000328649155 946965143 /nfs/dbraw/zinc/96/51/43/946965143.db2.gz INTNATCOMWSXES-UHFFFAOYSA-N 1 0 373.545 3.546 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)cc(OC)c1O ZINC000475372007 946974419 /nfs/dbraw/zinc/97/44/19/946974419.db2.gz VPHFHZVLRHVVRK-HSZRJFAPSA-N 1 0 367.489 3.699 20 30 FHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnc(Sc3ccccn3)c2)CC[N@@H+]1C ZINC000328600486 946977951 /nfs/dbraw/zinc/97/79/51/946977951.db2.gz DATHHBZOILBBBG-ZBFHGGJFSA-N 1 0 371.510 3.588 20 30 FHEDRO C=CCn1c(CC(C)C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508475239 946983878 /nfs/dbraw/zinc/98/38/78/946983878.db2.gz YBSHMJHYOKBODB-MOPGFXCFSA-N 1 0 359.562 3.753 20 30 FHEDRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328690563 946989417 /nfs/dbraw/zinc/98/94/17/946989417.db2.gz BSYSPICNTPCLAC-MTFMMBMASA-N 1 0 374.525 3.957 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000475382694 946989939 /nfs/dbraw/zinc/98/99/39/946989939.db2.gz WGKCFOJBIRYLCD-KOUHRCEDSA-N 1 0 353.510 3.938 20 30 FHEDRO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)C1 ZINC000328701592 946995804 /nfs/dbraw/zinc/99/58/04/946995804.db2.gz WTKRVHBIPDGECB-IUODEOHRSA-N 1 0 371.934 3.597 20 30 FHEDRO Cc1nn(C)c(C)c1CCC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000328713989 947002394 /nfs/dbraw/zinc/00/23/94/947002394.db2.gz NXTWSUMSGVDBSP-UHFFFAOYSA-N 1 0 360.546 3.972 20 30 FHEDRO C[C@@H](CN1CCOCC1)[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444617097 947034378 /nfs/dbraw/zinc/03/43/78/947034378.db2.gz DSIGQKXHZCLNEP-FQEVSTJZSA-N 1 0 357.542 3.929 20 30 FHEDRO CC(C)(C#N)CCCCN1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000444613577 947039090 /nfs/dbraw/zinc/03/90/90/947039090.db2.gz UQQBKSVKUCANDC-UHFFFAOYSA-N 1 0 355.526 3.874 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2CCC(F)CC2)c(OC)c1 ZINC000662001980 947046062 /nfs/dbraw/zinc/04/60/62/947046062.db2.gz CCRIDQXSBVWIDS-HJZRJOMTSA-N 1 0 365.489 3.670 20 30 FHEDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc(-n2ccnn2)cc1 ZINC000328797570 947050457 /nfs/dbraw/zinc/05/04/57/947050457.db2.gz VYQUFPLGLBUGTH-KXBFYZLASA-N 1 0 353.470 3.692 20 30 FHEDRO O=C(Nc1cccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1)C1CC1 ZINC000328800738 947051714 /nfs/dbraw/zinc/05/17/14/947051714.db2.gz YQKKWSSBHPGQRL-UHFFFAOYSA-N 1 0 355.482 3.633 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000328828389 947054357 /nfs/dbraw/zinc/05/43/57/947054357.db2.gz QQMZIFRWVYTFBS-VQIMIIECSA-N 1 0 373.497 3.879 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)Nc1nc2ccccc2s1 ZINC000328831934 947055372 /nfs/dbraw/zinc/05/53/72/947055372.db2.gz KOFVAPLIUSOHTP-YNZJMPHRSA-N 1 0 358.467 3.760 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C(=O)Nc1nc2ccccc2s1 ZINC000328831931 947055522 /nfs/dbraw/zinc/05/55/22/947055522.db2.gz KOFVAPLIUSOHTP-NKFCBESUSA-N 1 0 358.467 3.760 20 30 FHEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc(SC)s1)CC2 ZINC001142018366 947056951 /nfs/dbraw/zinc/05/69/51/947056951.db2.gz DVROJNISGYPWFG-UHFFFAOYSA-N 1 0 352.525 3.690 20 30 FHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328846523 947063759 /nfs/dbraw/zinc/06/37/59/947063759.db2.gz QLXLTVPNRZBTQO-DZGCQCFKSA-N 1 0 373.522 3.833 20 30 FHEDRO C=CC[C@H]1N(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCCC1(C)C ZINC000444634465 947066088 /nfs/dbraw/zinc/06/60/88/947066088.db2.gz HRAPAWTWVJBSJK-OAQYLSRUSA-N 1 0 369.553 3.641 20 30 FHEDRO Cc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1OCC(F)(F)F ZINC000328874057 947077603 /nfs/dbraw/zinc/07/76/03/947077603.db2.gz JIXIILUSWUBDIM-CABCVRRESA-N 1 0 371.403 3.698 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)c3cnc(OCC4CC4)cn3)CC2)CC1 ZINC000328878387 947078678 /nfs/dbraw/zinc/07/86/78/947078678.db2.gz KZGZWAZIZXNMMB-UHFFFAOYSA-N 1 0 372.513 3.613 20 30 FHEDRO COc1cc(C[NH2+][C@@H](CO)C(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000444698969 947123169 /nfs/dbraw/zinc/12/31/69/947123169.db2.gz DLXGEOATDLPKST-NRFANRHFSA-N 1 0 368.477 3.642 20 30 FHEDRO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000328962661 947125053 /nfs/dbraw/zinc/12/50/53/947125053.db2.gz QZXUPOUFEDSIFN-YQVWRLOYSA-N 1 0 362.518 3.620 20 30 FHEDRO C[C@@H]1CN(Cc2cccc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)c2)C[C@H](C)O1 ZINC000328960244 947125316 /nfs/dbraw/zinc/12/53/16/947125316.db2.gz PLBAVFMMSSGEHV-XLMAVXFVSA-N 1 0 358.482 3.889 20 30 FHEDRO CC(C)(C#N)CCCC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000444706840 947133992 /nfs/dbraw/zinc/13/39/92/947133992.db2.gz OUYXGMHCRVZNJW-UHFFFAOYSA-N 1 0 353.304 3.963 20 30 FHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000330456396 947175143 /nfs/dbraw/zinc/17/51/43/947175143.db2.gz XNYCHYOFPWGRTO-UHFFFAOYSA-N 1 0 350.410 3.608 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000330462839 947177176 /nfs/dbraw/zinc/17/71/76/947177176.db2.gz TYNFCNKIULSVNH-IUODEOHRSA-N 1 0 354.281 3.939 20 30 FHEDRO CCOc1ccc(F)c(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1F ZINC000330492450 947182707 /nfs/dbraw/zinc/18/27/07/947182707.db2.gz JWBOKPAFMHKJJX-ZDUSSCGKSA-N 1 0 355.429 3.810 20 30 FHEDRO C[C@H](CNC(=O)Nc1nc(C(F)(F)F)cs1)[NH+]1CCC(C)CC1 ZINC000330447357 947185792 /nfs/dbraw/zinc/18/57/92/947185792.db2.gz FWGCUEIAYUVKKG-SNVBAGLBSA-N 1 0 350.410 3.608 20 30 FHEDRO C[NH+]1CCC(CCNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 ZINC000330448171 947185980 /nfs/dbraw/zinc/18/59/80/947185980.db2.gz YXOWAQJVOYESOK-UHFFFAOYSA-N 1 0 360.424 3.693 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)C[C@@H]1C ZINC000330501568 947202718 /nfs/dbraw/zinc/20/27/18/947202718.db2.gz UXLKYNHQAJYIEN-UONOGXRCSA-N 1 0 371.476 3.827 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)[C@H](C)C1 ZINC000330501606 947203101 /nfs/dbraw/zinc/20/31/01/947203101.db2.gz VBBGGZJKUGMQPY-UKRRQHHQSA-N 1 0 371.476 3.684 20 30 FHEDRO COc1ccc(SC)c(OC)c1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000330659829 947227172 /nfs/dbraw/zinc/22/71/72/947227172.db2.gz NTOITXBCQAOXOY-UHFFFAOYSA-N 1 0 366.527 3.993 20 30 FHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000523396741 947227545 /nfs/dbraw/zinc/22/75/45/947227545.db2.gz BIRZTMZYQQFXRP-OAQYLSRUSA-N 1 0 362.477 3.714 20 30 FHEDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444795267 947233636 /nfs/dbraw/zinc/23/36/36/947233636.db2.gz UOLITGKRKNYZGD-GOSISDBHSA-N 1 0 363.505 3.502 20 30 FHEDRO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000444798787 947234387 /nfs/dbraw/zinc/23/43/87/947234387.db2.gz GGRCIIRGLWJFBA-FQEVSTJZSA-N 1 0 368.502 3.624 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CC=C(c3ccccc3Cl)CC2)CC1 ZINC000093797304 947261959 /nfs/dbraw/zinc/26/19/59/947261959.db2.gz SLQNJLSNOQQTLA-UHFFFAOYSA-N 1 0 359.901 3.789 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)C[C@@H]1C ZINC000330804388 947278137 /nfs/dbraw/zinc/27/81/37/947278137.db2.gz KHMGAULBIXGKOJ-WFASDCNBSA-N 1 0 351.878 3.893 20 30 FHEDRO CC[NH+](CC)CC1CCN(C(=O)Nc2cc(NC(C)=O)ccc2C)CC1 ZINC000330790914 947286459 /nfs/dbraw/zinc/28/64/59/947286459.db2.gz ABOYZDMJPUNYPJ-UHFFFAOYSA-N 1 0 360.502 3.553 20 30 FHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1NCC1CC[NH+](C2CC2)CC1 ZINC000444882099 947307004 /nfs/dbraw/zinc/30/70/04/947307004.db2.gz ZLAAJNLDRHKRTC-UHFFFAOYSA-N 1 0 358.848 3.607 20 30 FHEDRO Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000330911258 947309302 /nfs/dbraw/zinc/30/93/02/947309302.db2.gz HGXWXYDDKPKRNO-DZGCQCFKSA-N 1 0 364.287 3.758 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000330942744 947314515 /nfs/dbraw/zinc/31/45/15/947314515.db2.gz GVQWCCGTBFPCCO-VXGBXAGGSA-N 1 0 354.838 3.598 20 30 FHEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)C2(NC(=O)NC(C)C)CCCCC2)c1 ZINC000331006257 947331639 /nfs/dbraw/zinc/33/16/39/947331639.db2.gz QAHVCZZSFQMBSB-UHFFFAOYSA-N 1 0 374.529 3.610 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)c(Cl)cc2OC)C[C@@H]1C ZINC000331145696 947357571 /nfs/dbraw/zinc/35/75/71/947357571.db2.gz SFHDPCOIJQKHAS-QWHCGFSZSA-N 1 0 369.893 3.707 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C ZINC000331276418 947375244 /nfs/dbraw/zinc/37/52/44/947375244.db2.gz IYHMROZFEBUSAE-RDJZCZTQSA-N 1 0 358.486 3.696 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000331287311 947377368 /nfs/dbraw/zinc/37/73/68/947377368.db2.gz HSGALKDOAFHUIU-RWSFTLGLSA-N 1 0 372.332 3.604 20 30 FHEDRO CCC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000331307303 947393371 /nfs/dbraw/zinc/39/33/71/947393371.db2.gz FGIOCAXZZDROMO-ZWKOTPCHSA-N 1 0 359.514 3.951 20 30 FHEDRO CNC(=O)c1ccc(C)c(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000331301931 947393658 /nfs/dbraw/zinc/39/36/58/947393658.db2.gz PUPBEDPSKLWBCX-KRWDZBQOSA-N 1 0 360.502 3.766 20 30 FHEDRO COc1cc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc2c1OCCO2 ZINC000093872236 947427224 /nfs/dbraw/zinc/42/72/24/947427224.db2.gz VZRJLNMEZDJGOO-OALUTQOASA-N 1 0 364.445 3.738 20 30 FHEDRO C=CCC[C@@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC001573334149 947448849 /nfs/dbraw/zinc/44/88/49/947448849.db2.gz KLARRXIMVATWPN-HXUWFJFHSA-N 1 0 363.465 3.933 20 30 FHEDRO CN(CCC[NH+]1CCCC1)c1c(C#N)cnc2c(Br)cccc21 ZINC000440642490 947463173 /nfs/dbraw/zinc/46/31/73/947463173.db2.gz ZBNGZLSAGHFKCF-UHFFFAOYSA-N 1 0 373.298 3.791 20 30 FHEDRO C[NH+](C)[C@H](CNc1c(C#N)cnc2c(Br)cccc21)C1CC1 ZINC000440652499 947477397 /nfs/dbraw/zinc/47/73/97/947477397.db2.gz YIOABOJBSANBAU-OAHLLOKOSA-N 1 0 359.271 3.621 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)CC(F)F ZINC000888954878 947484579 /nfs/dbraw/zinc/48/45/79/947484579.db2.gz WBPCIAQJSAIEDL-UHFFFAOYSA-N 1 0 351.441 3.520 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1 ZINC000441452916 947514389 /nfs/dbraw/zinc/51/43/89/947514389.db2.gz AADXYLDZRPRBPJ-OPYAIIAOSA-N 1 0 369.509 3.985 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)C2CCCC2)c1C#N ZINC000184659847 947532174 /nfs/dbraw/zinc/53/21/74/947532174.db2.gz GTRIQGDOQNXDQT-OAHLLOKOSA-N 1 0 368.481 3.725 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2NCCC)CC1 ZINC000150781164 947541813 /nfs/dbraw/zinc/54/18/13/947541813.db2.gz GYGXAVPSUCYTON-UHFFFAOYSA-N 1 0 367.415 3.811 20 30 FHEDRO CC(C)(C)Oc1ccc(NC(=O)N2CCC([NH2+]C3CCC3)CC2)cc1C#N ZINC000931628299 947555729 /nfs/dbraw/zinc/55/57/29/947555729.db2.gz MYQDDYWXMLXKGS-UHFFFAOYSA-N 1 0 370.497 3.874 20 30 FHEDRO C[NH+](C)C1(CNc2c(C#N)cnc3c(Br)cccc32)CCC1 ZINC000440670594 947567361 /nfs/dbraw/zinc/56/73/61/947567361.db2.gz UXKHEGGCTRSGBC-UHFFFAOYSA-N 1 0 359.271 3.765 20 30 FHEDRO CN(CC1([NH+](C)C)CCC1)c1c(C#N)cnc2c(Br)cccc21 ZINC000440683573 947591935 /nfs/dbraw/zinc/59/19/35/947591935.db2.gz YLEMOFMQISTGNS-UHFFFAOYSA-N 1 0 373.298 3.789 20 30 FHEDRO C=CCOc1cccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000523767817 947592459 /nfs/dbraw/zinc/59/24/59/947592459.db2.gz YDLJEZVTUJKPKW-UHFFFAOYSA-N 1 0 357.498 3.980 20 30 FHEDRO C=CCSCCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000511965679 947608298 /nfs/dbraw/zinc/60/82/98/947608298.db2.gz TZHYPQDFELFACB-UHFFFAOYSA-N 1 0 354.519 3.968 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189144631 947619953 /nfs/dbraw/zinc/61/99/53/947619953.db2.gz WXFRXJWLTONXJY-APWZRJJASA-N 1 0 362.539 3.542 20 30 FHEDRO CC[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(C#N)cc1 ZINC000278860841 947640276 /nfs/dbraw/zinc/64/02/76/947640276.db2.gz WGODVVNMSJFKKF-NHCUHLMSSA-N 1 0 362.477 3.571 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000189461088 947736497 /nfs/dbraw/zinc/73/64/97/947736497.db2.gz TUHZWAMXTGVQMO-UHFFFAOYSA-N 1 0 369.431 3.733 20 30 FHEDRO Cn1cc([C@H]([NH2+]CCCOc2cccc(C#N)c2)c2ccc(F)cc2)cn1 ZINC000184595474 947785236 /nfs/dbraw/zinc/78/52/36/947785236.db2.gz MOQISWDXSQEXCI-OAQYLSRUSA-N 1 0 364.424 3.579 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000189631195 947788507 /nfs/dbraw/zinc/78/85/07/947788507.db2.gz DALQUDCNLWSRNT-HXUWFJFHSA-N 1 0 364.917 3.649 20 30 FHEDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662422729 947793056 /nfs/dbraw/zinc/79/30/56/947793056.db2.gz ISSSOCCMPCQWQJ-NSHDSACASA-N 1 0 374.300 3.689 20 30 FHEDRO C=CCc1cc(C[NH2+]Cc2cnccc2C(F)(F)F)cc(OC)c1O ZINC000663353436 947830107 /nfs/dbraw/zinc/83/01/07/947830107.db2.gz QJFDLNLLFXRAIP-UHFFFAOYSA-N 1 0 352.356 3.833 20 30 FHEDRO C=CC[C@]1(C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)CCC[NH2+]1 ZINC000662566706 947907629 /nfs/dbraw/zinc/90/76/29/947907629.db2.gz QCFZSFXZCJKKNV-JOCHJYFZSA-N 1 0 360.461 3.544 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)CCC[NH2+]1 ZINC000662581641 947912673 /nfs/dbraw/zinc/91/26/73/947912673.db2.gz IXVPXHKSJDZNAT-IBGZPJMESA-N 1 0 356.495 3.501 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(C#N)c1 ZINC000278875378 947938961 /nfs/dbraw/zinc/93/89/61/947938961.db2.gz NKCZKUMOBOUCMB-SFHVURJKSA-N 1 0 365.452 3.682 20 30 FHEDRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000190451142 947981405 /nfs/dbraw/zinc/98/14/05/947981405.db2.gz AYKIDRCIDUYXRN-MRXNPFEDSA-N 1 0 352.482 3.721 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)CCC[NH2+]1 ZINC000662683798 947982900 /nfs/dbraw/zinc/98/29/00/947982900.db2.gz QPBUMIIGUOJBTA-JTSKRJEESA-N 1 0 365.477 3.536 20 30 FHEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1c[nH]c2ccccc12 ZINC000190488821 947989188 /nfs/dbraw/zinc/98/91/88/947989188.db2.gz CIHOLWDFSGLPQJ-UHFFFAOYSA-N 1 0 360.461 3.937 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](O)Cc3ccccc3)c2)c1 ZINC000105493262 948045093 /nfs/dbraw/zinc/04/50/93/948045093.db2.gz KZJHCHCAOPUAIU-QHCPKHFHSA-N 1 0 372.468 3.830 20 30 FHEDRO C=CCOc1ccc(CN2CCc3nc[nH]c3C23CCOCC3)cc1Cl ZINC000895071864 948046459 /nfs/dbraw/zinc/04/64/59/948046459.db2.gz VEIXOOQZTDMOEO-UHFFFAOYSA-N 1 0 373.884 3.692 20 30 FHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092504417 948218156 /nfs/dbraw/zinc/21/81/56/948218156.db2.gz QAYVAQTZHRIPLI-UHFFFAOYSA-N 1 0 365.452 3.722 20 30 FHEDRO CN(C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C1CC[NH+](C)CC1 ZINC000106725393 948235717 /nfs/dbraw/zinc/23/57/17/948235717.db2.gz JZZMESHFEMRARV-UHFFFAOYSA-N 1 0 367.424 3.656 20 30 FHEDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000178525139 948237294 /nfs/dbraw/zinc/23/72/94/948237294.db2.gz OVNDSMJTVXKVKX-MRXNPFEDSA-N 1 0 357.498 3.834 20 30 FHEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@@H](C)COC ZINC000663581287 948246844 /nfs/dbraw/zinc/24/68/44/948246844.db2.gz JMBSFFHSQQMYBT-MOPGFXCFSA-N 1 0 373.541 3.794 20 30 FHEDRO C[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[N@H+](C)C1CC1 ZINC000106769787 948261978 /nfs/dbraw/zinc/26/19/78/948261978.db2.gz GKFMDBQVHUHNMX-CQSZACIVSA-N 1 0 367.424 3.702 20 30 FHEDRO C[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[N@H+](C)C1CC1 ZINC000106769786 948269322 /nfs/dbraw/zinc/26/93/22/948269322.db2.gz GKFMDBQVHUHNMX-AWEZNQCLSA-N 1 0 367.424 3.702 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 ZINC000760041773 948350157 /nfs/dbraw/zinc/35/01/57/948350157.db2.gz QJCGZMKZKULEJG-WQTXXOFMSA-N 1 0 353.437 3.655 20 30 FHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CCCCCO)c1C#N ZINC000278974741 948352034 /nfs/dbraw/zinc/35/20/34/948352034.db2.gz YGEPEUNFBKRXLO-UHFFFAOYSA-N 1 0 374.529 3.515 20 30 FHEDRO C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(C#N)ccn1 ZINC001167842922 948395202 /nfs/dbraw/zinc/39/52/02/948395202.db2.gz COQNDMFJWNHBTK-YWZLYKJASA-N 1 0 358.486 3.516 20 30 FHEDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135224796 948397765 /nfs/dbraw/zinc/39/77/65/948397765.db2.gz HDLNKGTUQJGPTP-QGZVFWFLSA-N 1 0 355.526 3.862 20 30 FHEDRO CC(C)C[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)[NH+]1CCOCC1 ZINC000520629901 948447639 /nfs/dbraw/zinc/44/76/39/948447639.db2.gz NHOXWKVMOUMDTL-HNNXBMFYSA-N 1 0 355.404 3.736 20 30 FHEDRO CN(Cc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000473215038 948538177 /nfs/dbraw/zinc/53/81/77/948538177.db2.gz LXLXIDURBNHVMP-SFHVURJKSA-N 1 0 373.378 3.814 20 30 FHEDRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1c(C)noc1C ZINC000182080261 948540945 /nfs/dbraw/zinc/54/09/45/948540945.db2.gz DNPBXMCIVZGEBD-HXUWFJFHSA-N 1 0 352.482 3.868 20 30 FHEDRO C=CCc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000107603342 948654120 /nfs/dbraw/zinc/65/41/20/948654120.db2.gz PZCHCQVIZBREPE-KRWDZBQOSA-N 1 0 374.525 3.817 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000524002628 948756899 /nfs/dbraw/zinc/75/68/99/948756899.db2.gz RHIGHTZELZAJRK-GOSISDBHSA-N 1 0 358.526 3.763 20 30 FHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549639378 948759130 /nfs/dbraw/zinc/75/91/30/948759130.db2.gz KKYICYBTKGZVPJ-FQEVSTJZSA-N 1 0 371.573 3.899 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1 ZINC000059356574 221125317 /nfs/dbraw/zinc/12/53/17/221125317.db2.gz CFAVDWAFAHMDBU-KRWDZBQOSA-N 1 0 360.820 3.775 20 30 FHEDRO C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000069203131 221322903 /nfs/dbraw/zinc/32/29/03/221322903.db2.gz QMKSZVBUIYNKJW-UHFFFAOYSA-N 1 0 350.422 3.566 20 30 FHEDRO Cc1ncc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000601935057 567880151 /nfs/dbraw/zinc/88/01/51/567880151.db2.gz OUGKCZBUIITZMN-QWHCGFSZSA-N 1 0 360.458 3.577 20 30 FHEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000481388639 567882234 /nfs/dbraw/zinc/88/22/34/567882234.db2.gz FUYWHNRHJUTSBX-MEDUHNTESA-N 1 0 363.870 3.577 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000481387142 567882822 /nfs/dbraw/zinc/88/28/22/567882822.db2.gz BCVZVMJELKKDFK-XOBRGWDASA-N 1 0 371.868 3.906 20 30 FHEDRO CCC1([NH+](C)C)CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000602318146 567966820 /nfs/dbraw/zinc/96/68/20/567966820.db2.gz ITKSUZPVLWTTRP-LJQANCHMSA-N 1 0 356.514 3.937 20 30 FHEDRO N#CC1CCC(Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000602482506 567984982 /nfs/dbraw/zinc/98/49/82/567984982.db2.gz CWNWXGCXMPMCIW-UHFFFAOYSA-N 1 0 354.498 3.995 20 30 FHEDRO CCOc1cc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)ccc1OC(F)F ZINC000602520808 567987200 /nfs/dbraw/zinc/98/72/00/567987200.db2.gz MNFOJULVHHEZRH-AWEZNQCLSA-N 1 0 368.424 3.875 20 30 FHEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602521659 567987369 /nfs/dbraw/zinc/98/73/69/567987369.db2.gz PMBFGXJYBCBZMT-GOSISDBHSA-N 1 0 366.509 3.802 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000602524194 567987580 /nfs/dbraw/zinc/98/75/80/567987580.db2.gz KUUHYUDKEPFRBW-ZWKOTPCHSA-N 1 0 361.555 3.649 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000602507020 567988827 /nfs/dbraw/zinc/98/88/27/567988827.db2.gz NHTGMMPIQXIKOZ-INIZCTEOSA-N 1 0 367.449 3.720 20 30 FHEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602508513 567988958 /nfs/dbraw/zinc/98/89/58/567988958.db2.gz NBDYGHZOPYQQBO-TZIWHRDSSA-N 1 0 357.542 3.628 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000602549820 567990525 /nfs/dbraw/zinc/99/05/25/567990525.db2.gz FTHPLISAOXZHRN-LMMKCTJWSA-N 1 0 361.555 3.820 20 30 FHEDRO Cc1cc(Br)ccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602549931 567990530 /nfs/dbraw/zinc/99/05/30/567990530.db2.gz FVMGKZVJAVCXNB-CQSZACIVSA-N 1 0 351.288 3.946 20 30 FHEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602551127 567990730 /nfs/dbraw/zinc/99/07/30/567990730.db2.gz MTLIFXGDHGLKLO-HKUYNNGSSA-N 1 0 359.489 3.792 20 30 FHEDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)CC2(C#N)CCOCC2)n(-c2ccccc2)n1 ZINC000602583864 567994097 /nfs/dbraw/zinc/99/40/97/567994097.db2.gz ZYOWEPCUIVPRQP-IEBWSBKVSA-N 1 0 366.509 3.800 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000602585101 567994240 /nfs/dbraw/zinc/99/42/40/567994240.db2.gz MJODHQCYCQUUOK-WMLDXEAASA-N 1 0 367.415 3.726 20 30 FHEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602586121 567994390 /nfs/dbraw/zinc/99/43/90/567994390.db2.gz ZMEMTQVRPGKJEB-CVEARBPZSA-N 1 0 371.378 3.919 20 30 FHEDRO CCN1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000602602528 567996896 /nfs/dbraw/zinc/99/68/96/567996896.db2.gz UOEMOICTKPSRQV-IJINUTMPSA-N 1 0 351.416 3.911 20 30 FHEDRO CC(C)Oc1cc(NC(=O)[C@H]([NH3+])CCCCC#N)ccc1Br ZINC000602603379 567996928 /nfs/dbraw/zinc/99/69/28/567996928.db2.gz ZCHYLRGZFOUMQT-CQSZACIVSA-N 1 0 368.275 3.586 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000602671734 568008051 /nfs/dbraw/zinc/00/80/51/568008051.db2.gz VMJSWERRLAUVSZ-GFCCVEGCSA-N 1 0 352.360 3.871 20 30 FHEDRO N#CC1CCC([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC1 ZINC000602686369 568011264 /nfs/dbraw/zinc/01/12/64/568011264.db2.gz QAMJKGWLNYDXBV-DQVOVIAYSA-N 1 0 351.416 3.689 20 30 FHEDRO CN(C(=O)Nc1cccc2c1CN(c1ccccn1)C2)[C@H]1CCC[C@@H]1C#N ZINC000602916600 568012222 /nfs/dbraw/zinc/01/22/22/568012222.db2.gz NZJNXABBHRVVJC-BEFAXECRSA-N 1 0 361.449 3.758 20 30 FHEDRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000602668740 568014503 /nfs/dbraw/zinc/01/45/03/568014503.db2.gz FPXRZJNLXWWWQC-GOSISDBHSA-N 1 0 368.481 3.900 20 30 FHEDRO CN1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000602692836 568015528 /nfs/dbraw/zinc/01/55/28/568015528.db2.gz CBBBNIYFBLYQEO-HNONPPJISA-N 1 0 362.315 3.866 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000602723976 568023539 /nfs/dbraw/zinc/02/35/39/568023539.db2.gz FJGCHWIBDRQXHM-LLVKDONJSA-N 1 0 373.241 3.916 20 30 FHEDRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000568333323 568025430 /nfs/dbraw/zinc/02/54/30/568025430.db2.gz UIWFABHLAKRNHT-GOEBONIOSA-N 1 0 367.415 3.750 20 30 FHEDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000568333322 568025467 /nfs/dbraw/zinc/02/54/67/568025467.db2.gz UIWFABHLAKRNHT-GDBMZVCRSA-N 1 0 367.415 3.750 20 30 FHEDRO C[N@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)CC1(CC#N)CC1 ZINC000602772008 568028345 /nfs/dbraw/zinc/02/83/45/568028345.db2.gz FMOIFTISVYIPKN-UHFFFAOYSA-N 1 0 369.490 3.613 20 30 FHEDRO CCOc1ccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1OC ZINC000568448337 568039242 /nfs/dbraw/zinc/03/92/42/568039242.db2.gz HJDLLKTUABGINJ-UHFFFAOYSA-N 1 0 354.450 3.614 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602837872 568050690 /nfs/dbraw/zinc/05/06/90/568050690.db2.gz PLGXONRZFOKFDH-LPHOPBHVSA-N 1 0 358.486 3.563 20 30 FHEDRO COc1cc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)ccc1C#N ZINC000568569800 568056796 /nfs/dbraw/zinc/05/67/96/568056796.db2.gz ILPAYGIIXREZEP-UHFFFAOYSA-N 1 0 364.424 3.798 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCSc4ccccc43)C2=O)cc1 ZINC000541882028 568058796 /nfs/dbraw/zinc/05/87/96/568058796.db2.gz GXUPPGFZNKMNRW-MOPGFXCFSA-N 1 0 363.486 3.880 20 30 FHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)s1 ZINC000120376837 568068863 /nfs/dbraw/zinc/06/88/63/568068863.db2.gz SFWNNHPRWMPRJM-UHFFFAOYSA-N 1 0 355.385 3.981 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000481677961 568085755 /nfs/dbraw/zinc/08/57/55/568085755.db2.gz MRJVJMINTNNPLV-PMACEKPBSA-N 1 0 363.436 3.860 20 30 FHEDRO CN(C(=O)NCC(C)(C)CCC#N)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000603434658 568100522 /nfs/dbraw/zinc/10/05/22/568100522.db2.gz FVKADGWEZQVKER-MRXNPFEDSA-N 1 0 357.433 3.610 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000181889818 568121130 /nfs/dbraw/zinc/12/11/30/568121130.db2.gz SKZFHWPZBWBKSU-WMZOPIPTSA-N 1 0 365.477 3.753 20 30 FHEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)C1(c2ccccc2)CCCC1 ZINC000481826769 568138542 /nfs/dbraw/zinc/13/85/42/568138542.db2.gz YBTVBKAGIDSVHB-SFHVURJKSA-N 1 0 361.489 3.665 20 30 FHEDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481898158 568173725 /nfs/dbraw/zinc/17/37/25/568173725.db2.gz AVOQZGPPDPORBU-YADHBBJMSA-N 1 0 361.489 3.615 20 30 FHEDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181912515 568178322 /nfs/dbraw/zinc/17/83/22/568178322.db2.gz BRTLPNCCOZTFFX-JPYJTQIMSA-N 1 0 363.505 3.624 20 30 FHEDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)c(C)c1 ZINC000604081570 568209129 /nfs/dbraw/zinc/20/91/29/568209129.db2.gz XFQGREGUJUNXEC-QUCCMNQESA-N 1 0 352.478 3.802 20 30 FHEDRO CCOC(=O)c1csc(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000481989403 568215891 /nfs/dbraw/zinc/21/58/91/568215891.db2.gz BCUAWKLISKHTAV-QGZVFWFLSA-N 1 0 369.490 3.791 20 30 FHEDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000568852732 568236533 /nfs/dbraw/zinc/23/65/33/568236533.db2.gz QTCMSDFHLCMWFS-OAHLLOKOSA-N 1 0 367.453 3.597 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCOc4ccc(F)cc43)CC2)cc1 ZINC000181945158 568243200 /nfs/dbraw/zinc/24/32/00/568243200.db2.gz GPBKZTDRCCOYTN-NRFANRHFSA-N 1 0 365.452 3.775 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)C1(CC)CC ZINC000482145112 568285038 /nfs/dbraw/zinc/28/50/38/568285038.db2.gz CPOLVUDXJOPECU-DLBZAZTESA-N 1 0 363.889 3.724 20 30 FHEDRO CC(C)[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604501413 568301781 /nfs/dbraw/zinc/30/17/81/568301781.db2.gz KHBRXVHDPWEPON-LJQANCHMSA-N 1 0 356.441 3.542 20 30 FHEDRO CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(OC)cc1 ZINC000604492838 568303634 /nfs/dbraw/zinc/30/36/34/568303634.db2.gz DCDMNTUFNQXQAO-UHFFFAOYSA-N 1 0 365.477 3.854 20 30 FHEDRO Cc1oc(NC(=O)CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c(C#N)c1C ZINC000291777386 568305625 /nfs/dbraw/zinc/30/56/25/568305625.db2.gz MASBGZFVWWAWCM-KGLIPLIRSA-N 1 0 357.376 3.760 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CC2CCCCC2)cc1 ZINC000604508642 568305747 /nfs/dbraw/zinc/30/57/47/568305747.db2.gz CMUIOKUEKXVKJA-SFTDATJTSA-N 1 0 356.510 3.927 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC000604766019 568361950 /nfs/dbraw/zinc/36/19/50/568361950.db2.gz MWNFCDCAQRKWPE-RBUKOAKNSA-N 1 0 365.395 3.876 20 30 FHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(Cl)c(C#N)c3)cccc21 ZINC000569329709 568389086 /nfs/dbraw/zinc/38/90/86/568389086.db2.gz IVHVCCAKCQRIQI-QGZVFWFLSA-N 1 0 355.825 3.849 20 30 FHEDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000569723643 568413923 /nfs/dbraw/zinc/41/39/23/568413923.db2.gz MBGDYODIGATWFQ-KXBFYZLASA-N 1 0 361.449 3.583 20 30 FHEDRO Cc1csc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000570178354 568459402 /nfs/dbraw/zinc/45/94/02/568459402.db2.gz BBHYADAUSGOXLJ-LLVKDONJSA-N 1 0 360.508 3.553 20 30 FHEDRO N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c1 ZINC000570302699 568473539 /nfs/dbraw/zinc/47/35/39/568473539.db2.gz GPOHKALTICZSDJ-UHFFFAOYSA-N 1 0 369.428 3.945 20 30 FHEDRO Cc1cn2cc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)ccc2n1 ZINC000531456858 568516476 /nfs/dbraw/zinc/51/64/76/568516476.db2.gz UIZSDWFEVNMZSZ-MOPGFXCFSA-N 1 0 359.433 3.946 20 30 FHEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(OCC(F)(F)F)cc1 ZINC000570871565 568576656 /nfs/dbraw/zinc/57/66/56/568576656.db2.gz HTQXVKSDPDPQTI-CYBMUJFWSA-N 1 0 374.366 3.998 20 30 FHEDRO CC(C)OC1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000182063349 568721591 /nfs/dbraw/zinc/72/15/91/568721591.db2.gz CDTBMMZRXRAJLY-UHFFFAOYSA-N 1 0 355.526 3.848 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000324151069 568730342 /nfs/dbraw/zinc/73/03/42/568730342.db2.gz BOHCGOYEDSYXCM-DOMZBBRYSA-N 1 0 365.260 3.956 20 30 FHEDRO N#Cc1csc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1 ZINC000826387749 608311218 /nfs/dbraw/zinc/31/12/18/608311218.db2.gz OVAADRKPKDGMQW-UHFFFAOYSA-N 1 0 372.457 3.757 20 30 FHEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553649 608486931 /nfs/dbraw/zinc/48/69/31/608486931.db2.gz FBIAEJOOJUKSKW-CYBMUJFWSA-N 1 0 371.366 3.588 20 30 FHEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824530415 609152500 /nfs/dbraw/zinc/15/25/00/609152500.db2.gz KYYADRTWDCZUBO-ACJLOTCBSA-N 1 0 350.401 3.701 20 30 FHEDRO N#Cc1c[nH]c2nc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc12 ZINC001164619954 719083113 /nfs/dbraw/zinc/08/31/13/719083113.db2.gz DIJNGPVCCZESGH-XLIONFOSSA-N 1 0 357.461 3.535 20 30 FHEDRO N#Cc1cc(Cl)cnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164630408 719091293 /nfs/dbraw/zinc/09/12/93/719091293.db2.gz WBUCQMHQLVHJKC-VQIMIIECSA-N 1 0 352.869 3.707 20 30 FHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C#N)c(C)n2)CC3)cs1 ZINC001164693502 719810902 /nfs/dbraw/zinc/81/09/02/719810902.db2.gz VRNSNBGPIBMIPH-UHFFFAOYSA-N 1 0 367.522 3.662 20 30 FHEDRO CSc1nc(Cl)c(C#N)c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165048234 721964733 /nfs/dbraw/zinc/96/47/33/721964733.db2.gz XVNZROWYBSHFHD-ZDUSSCGKSA-N 1 0 365.934 3.568 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)c2ccc(Br)cc2)CC1 ZINC000162139656 936352847 /nfs/dbraw/zinc/35/28/47/936352847.db2.gz TZSQFSZSFFQIKA-CQSZACIVSA-N 1 0 365.315 3.709 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H]1c1cc(C)no1)C(C)C ZINC000079440354 937092135 /nfs/dbraw/zinc/09/21/35/937092135.db2.gz HKMICRCBZKIYFR-ZWKOTPCHSA-N 1 0 360.502 3.528 20 30 FHEDRO C=C(C)COc1cc(CN[C@H]2CCCn3nc(C(C)C)nc32)ccc1OC ZINC000153789590 937099861 /nfs/dbraw/zinc/09/98/61/937099861.db2.gz ZSXBXSPAKHTNMG-KRWDZBQOSA-N 1 0 370.497 3.990 20 30 FHEDRO Cc1csc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000583092533 937109156 /nfs/dbraw/zinc/10/91/56/937109156.db2.gz RNRUAYOOFVBECO-MRXNPFEDSA-N 1 0 354.479 3.572 20 30 FHEDRO C=CCOc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000046991608 927185013 /nfs/dbraw/zinc/18/50/13/927185013.db2.gz BKJJFCIEQRJYKN-KRWDZBQOSA-N 1 0 360.498 3.502 20 30 FHEDRO N#Cc1ccc(O[C@@H]2CCN(Cc3csc(-c4ccccc4)n3)C2)nc1 ZINC000583120277 937142223 /nfs/dbraw/zinc/14/22/23/937142223.db2.gz REGISSMVUONANQ-GOSISDBHSA-N 1 0 362.458 3.730 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654733968 927217908 /nfs/dbraw/zinc/21/79/08/927217908.db2.gz GDIGOSJCKIDROW-VQTJNVASSA-N 1 0 373.545 3.569 20 30 FHEDRO CCCCC[N@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000120105263 927245358 /nfs/dbraw/zinc/24/53/58/927245358.db2.gz QQQCGHDEIFEBSF-UHFFFAOYSA-N 1 0 374.529 3.515 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246859917 927465632 /nfs/dbraw/zinc/46/56/32/927465632.db2.gz SIZAWFDQOMMIJK-YJBOKZPZSA-N 1 0 354.479 3.824 20 30 FHEDRO C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186918179 927575538 /nfs/dbraw/zinc/57/55/38/927575538.db2.gz FSRQWIZGOJETRZ-JXFKEZNVSA-N 1 0 365.477 3.523 20 30 FHEDRO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(Cl)cc3C#N)CC2)C[C@@H](C)O1 ZINC000186927990 927576784 /nfs/dbraw/zinc/57/67/84/927576784.db2.gz GZLLWKXKPZVDJE-HZPDHXFCSA-N 1 0 361.917 3.533 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000178797888 937180723 /nfs/dbraw/zinc/18/07/23/937180723.db2.gz YXDVAKMAFDCGFG-INIZCTEOSA-N 1 0 359.518 3.604 20 30 FHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](CCCCCOc3ccccc3)C2)nc1 ZINC000430186233 927657806 /nfs/dbraw/zinc/65/78/06/927657806.db2.gz MJKSJKBYXYDZPQ-FQEVSTJZSA-N 1 0 351.450 3.656 20 30 FHEDRO CN(CCC#N)c1ccc(C[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000154184948 937188123 /nfs/dbraw/zinc/18/81/23/937188123.db2.gz CINOCRBCBXMMSS-UHFFFAOYSA-N 1 0 354.523 3.857 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000187055271 927876460 /nfs/dbraw/zinc/87/64/60/927876460.db2.gz UOCPTAXNGAFUBC-SFHVURJKSA-N 1 0 373.500 3.932 20 30 FHEDRO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000043144408 927984350 /nfs/dbraw/zinc/98/43/50/927984350.db2.gz QDEHWLVOYZFUGG-UHFFFAOYSA-N 1 0 362.477 3.915 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510087748 928021996 /nfs/dbraw/zinc/02/19/96/928021996.db2.gz OABIADCNVPPLPU-GHTZIAJQSA-N 1 0 361.489 3.897 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510087752 928022371 /nfs/dbraw/zinc/02/23/71/928022371.db2.gz OABIADCNVPPLPU-WIYYLYMNSA-N 1 0 361.489 3.897 20 30 FHEDRO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccoc2)C2CCCCC2)cc1 ZINC000610215368 928189319 /nfs/dbraw/zinc/18/93/19/928189319.db2.gz IMWWMHATVOPDSD-UHFFFAOYSA-N 1 0 351.450 3.602 20 30 FHEDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC[C@H]1c1ccccc1 ZINC000610216774 928214493 /nfs/dbraw/zinc/21/44/93/928214493.db2.gz RVCLGTYAICZVRF-RZFNWQHOSA-N 1 0 364.489 3.618 20 30 FHEDRO CCOC(=O)C(C)(C)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000510106450 928328648 /nfs/dbraw/zinc/32/86/48/928328648.db2.gz RUEPTWBYQCVVGG-UHFFFAOYSA-N 1 0 358.482 3.628 20 30 FHEDRO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471164117 928372671 /nfs/dbraw/zinc/37/26/71/928372671.db2.gz BZLCKGYWNFTDGT-HXUWFJFHSA-N 1 0 373.460 3.709 20 30 FHEDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000069750517 928708834 /nfs/dbraw/zinc/70/88/34/928708834.db2.gz MEBGSUFKNRPPMP-KRWDZBQOSA-N 1 0 365.477 3.532 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000125012362 937276526 /nfs/dbraw/zinc/27/65/26/937276526.db2.gz VQOYKWNMXIBWNE-JZXOWHBKSA-N 1 0 372.538 3.886 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000547711468 928785569 /nfs/dbraw/zinc/78/55/69/928785569.db2.gz SFORGDCOPPTLJQ-LJQANCHMSA-N 1 0 367.880 3.662 20 30 FHEDRO N#Cc1ccc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)o1 ZINC000134601587 929093233 /nfs/dbraw/zinc/09/32/33/929093233.db2.gz WNFIRKAXQGTMEH-UHFFFAOYSA-N 1 0 374.282 3.668 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1scnc1C(F)(F)F)C(C)C ZINC000583272732 937303023 /nfs/dbraw/zinc/30/30/23/937303023.db2.gz UKZJZAPPFGLAPA-LBPRGKRZSA-N 1 0 361.433 3.590 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000246211566 929319148 /nfs/dbraw/zinc/31/91/48/929319148.db2.gz YAKUJHMVENKGPO-HZPDHXFCSA-N 1 0 358.461 3.816 20 30 FHEDRO CC(C)[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000109404641 929329809 /nfs/dbraw/zinc/32/98/09/929329809.db2.gz MWQFZVANGLMGAW-INIZCTEOSA-N 1 0 353.441 3.785 20 30 FHEDRO C[NH2+]Cc1c(C)nn(-c2c(C#N)c(Cl)nc3ccc(F)c(C)c32)c1C ZINC001167100093 929376047 /nfs/dbraw/zinc/37/60/47/929376047.db2.gz OWWIASJXIAINAB-UHFFFAOYSA-N 1 0 357.820 3.729 20 30 FHEDRO C=CCCC[NH+]1CCC(c2cc3c(ncn3C)c(-c3cnn(C)c3)n2)CC1 ZINC001209160622 929393751 /nfs/dbraw/zinc/39/37/51/929393751.db2.gz ABWHWTSRUMMXAO-UHFFFAOYSA-N 1 0 364.497 3.514 20 30 FHEDRO C=C[C@H](CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000180311210 929456933 /nfs/dbraw/zinc/45/69/33/929456933.db2.gz PPTLIHSRALLZMP-OAQYLSRUSA-N 1 0 370.537 3.697 20 30 FHEDRO Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000728264412 929746101 /nfs/dbraw/zinc/74/61/01/929746101.db2.gz DRXMYIXWRZRCPB-UHFFFAOYSA-N 1 0 366.509 3.814 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCc1nc(-c3ccc(F)cc3)no1)CC2 ZINC000580012249 929849436 /nfs/dbraw/zinc/84/94/36/929849436.db2.gz QSCJALKYLBNFSX-LJQANCHMSA-N 1 0 362.408 3.957 20 30 FHEDRO N#CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000609335087 929971022 /nfs/dbraw/zinc/97/10/22/929971022.db2.gz TUAJQSUYYYUIKU-UHFFFAOYSA-N 1 0 371.488 3.617 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)c1cccc(C#N)c1 ZINC000610346169 930046283 /nfs/dbraw/zinc/04/62/83/930046283.db2.gz NGYMDHFZGMZMCO-OLZOCXBDSA-N 1 0 372.266 3.999 20 30 FHEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1=O ZINC000610346470 930056305 /nfs/dbraw/zinc/05/63/05/930056305.db2.gz VKQXFDKWTONACB-HNAYVOBHSA-N 1 0 351.425 3.852 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+]2CCCC2)o1 ZINC000610352652 930097319 /nfs/dbraw/zinc/09/73/19/930097319.db2.gz HYZFHCQDCONZDH-QFBILLFUSA-N 1 0 366.465 3.657 20 30 FHEDRO C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000610356382 930109173 /nfs/dbraw/zinc/10/91/73/930109173.db2.gz QNYBMCXJQHACKJ-LAUBAEHRSA-N 1 0 362.477 3.756 20 30 FHEDRO CCOc1cccc(C=Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1O ZINC000255166867 930143637 /nfs/dbraw/zinc/14/36/37/930143637.db2.gz QVZDCUVTBMAFFP-UHFFFAOYSA-N 1 0 353.466 3.602 20 30 FHEDRO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)c1 ZINC000177699527 930172155 /nfs/dbraw/zinc/17/21/55/930172155.db2.gz JIMJVHLZXVOREA-ZDUSSCGKSA-N 1 0 362.296 3.751 20 30 FHEDRO C=C[C@@H](CC(=O)NC1(C(F)(F)F)CC[NH+](CC)CC1)c1ccccc1 ZINC000891209304 930227248 /nfs/dbraw/zinc/22/72/48/930227248.db2.gz KVXOFADSCSIBMI-HNNXBMFYSA-N 1 0 354.416 3.879 20 30 FHEDRO CCOC(=O)C1CC[NH+](Cc2cccc(NC3=CC(=O)C[C@@H](C)C3)c2)CC1 ZINC001210772911 930252311 /nfs/dbraw/zinc/25/23/11/930252311.db2.gz NHSQLHMAAQZEHL-INIZCTEOSA-N 1 0 370.493 3.757 20 30 FHEDRO C[N@H+](Cc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160421700 930367901 /nfs/dbraw/zinc/36/79/01/930367901.db2.gz LFTAVYHLZDBAQX-DFNIBXOVSA-N 1 0 355.482 3.921 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000610400189 930368042 /nfs/dbraw/zinc/36/80/42/930368042.db2.gz QKEGCJPOWRVYCR-KKSFZXQISA-N 1 0 364.493 3.784 20 30 FHEDRO CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC000610400641 930369854 /nfs/dbraw/zinc/36/98/54/930369854.db2.gz BZYZPGNAPAOGKW-YLJYHZDGSA-N 1 0 356.514 3.819 20 30 FHEDRO CCC(CC)[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000610400682 930370176 /nfs/dbraw/zinc/37/01/76/930370176.db2.gz PKDRSWVZZRXKQY-JXFKEZNVSA-N 1 0 356.514 3.819 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)C(C)C ZINC000610400754 930372439 /nfs/dbraw/zinc/37/24/39/930372439.db2.gz QJMKEZPUKGBGFJ-YLJYHZDGSA-N 1 0 354.498 3.617 20 30 FHEDRO CN(C(=O)C1(C#N)CCCCC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126752938 937412236 /nfs/dbraw/zinc/41/22/36/937412236.db2.gz BULWIGHYBSSELX-UHFFFAOYSA-N 1 0 355.482 3.598 20 30 FHEDRO CCc1oc2ccccc2c1C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000611767206 937417095 /nfs/dbraw/zinc/41/70/95/937417095.db2.gz FFNMDQWBGHAWJR-QVKFZJNVSA-N 1 0 355.482 3.870 20 30 FHEDRO C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000148541245 930498582 /nfs/dbraw/zinc/49/85/82/930498582.db2.gz XKPRAVIWTOFPAP-UHFFFAOYSA-N 1 0 367.453 3.700 20 30 FHEDRO CC[NH+](CC)[C@H](C/N=C\c1ccc(O)c(O)c1O)c1ccccc1Cl ZINC000255195098 930503456 /nfs/dbraw/zinc/50/34/56/930503456.db2.gz BNNVAVPCYKRBPG-NBZOHKLQSA-N 1 0 362.857 3.959 20 30 FHEDRO CC(C)[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CC[NH2+]1 ZINC001167380106 930507200 /nfs/dbraw/zinc/50/72/00/930507200.db2.gz WEOAHZIPMNBMTN-SFHVURJKSA-N 1 0 365.502 3.779 20 30 FHEDRO N#Cc1ccncc1N1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000579546527 930523673 /nfs/dbraw/zinc/52/36/73/930523673.db2.gz RIHKYHNQUFPNNJ-UHFFFAOYSA-N 1 0 372.925 3.911 20 30 FHEDRO C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc(C#N)c1 ZINC000074918630 930595690 /nfs/dbraw/zinc/59/56/90/930595690.db2.gz VRRWNFMNKDRUJF-ICSRJNTNSA-N 1 0 368.525 3.917 20 30 FHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(C#N)c(Cl)c3)cccc21 ZINC000580381823 930600210 /nfs/dbraw/zinc/60/02/10/930600210.db2.gz NCJBQRXHVYZMPA-QGZVFWFLSA-N 1 0 355.825 3.849 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc2c(s1)CCC2 ZINC000161708413 937432626 /nfs/dbraw/zinc/43/26/26/937432626.db2.gz SAJJYQVVKPGMFZ-CQSZACIVSA-N 1 0 352.507 3.823 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160505332 930694812 /nfs/dbraw/zinc/69/48/12/930694812.db2.gz DUUKSDRDCXQFMI-PKOBYXMFSA-N 1 0 365.562 3.795 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125702972 930724675 /nfs/dbraw/zinc/72/46/75/930724675.db2.gz DOPLFZDXOSFLBT-LJQANCHMSA-N 1 0 358.526 3.523 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(C#N)s3)C2)c1 ZINC000135057551 930748880 /nfs/dbraw/zinc/74/88/80/930748880.db2.gz FGVMSFGFWHTHKD-ZIAGYGMSSA-N 1 0 357.479 3.566 20 30 FHEDRO Cc1cc(NC(=O)C2(C#N)CCCCC2)ccc1OCC[NH+]1CCCC1 ZINC000119162228 930800505 /nfs/dbraw/zinc/80/05/05/930800505.db2.gz FRYQLPSOEPUIAI-UHFFFAOYSA-N 1 0 355.482 3.882 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1csc(C)n1 ZINC000078557754 930828183 /nfs/dbraw/zinc/82/81/83/930828183.db2.gz NOCXQIDKEIOAIL-UHFFFAOYSA-N 1 0 363.556 3.550 20 30 FHEDRO Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000145654233 930863660 /nfs/dbraw/zinc/86/36/60/930863660.db2.gz AARKXBNSLXPQIQ-FYYLOGMGSA-N 1 0 364.489 3.698 20 30 FHEDRO COc1cc2nc(C)sc2cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328747255 930887521 /nfs/dbraw/zinc/88/75/21/930887521.db2.gz LOWFZVWDNSGKFA-DOMZBBRYSA-N 1 0 360.483 3.566 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001125461509 930981112 /nfs/dbraw/zinc/98/11/12/930981112.db2.gz SPLQAOFLLDXSKA-GOSISDBHSA-N 1 0 350.422 3.557 20 30 FHEDRO COc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1OC ZINC000160595270 931009253 /nfs/dbraw/zinc/00/92/53/931009253.db2.gz HUVOHDDRTDLQDM-UHFFFAOYSA-N 1 0 369.343 3.529 20 30 FHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000580701114 931022039 /nfs/dbraw/zinc/02/20/39/931022039.db2.gz JULUZFRBKXYDEZ-FCHUYYIVSA-N 1 0 359.473 3.939 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000580760517 931118280 /nfs/dbraw/zinc/11/82/80/931118280.db2.gz CUYLHZNKOYPDOG-VQROGVPDSA-N 1 0 373.500 3.831 20 30 FHEDRO COc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1F ZINC000160673365 931294613 /nfs/dbraw/zinc/29/46/13/931294613.db2.gz YJZLNSTXMZLRKP-UHFFFAOYSA-N 1 0 357.307 3.660 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(C#N)cs1 ZINC000084083432 931303096 /nfs/dbraw/zinc/30/30/96/931303096.db2.gz GWSIRTSFDZXMSY-OAHLLOKOSA-N 1 0 353.491 3.924 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000510360890 931385014 /nfs/dbraw/zinc/38/50/14/931385014.db2.gz ZWALLRKSUQNJOK-IAGOWNOFSA-N 1 0 361.489 3.753 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000155963386 931468759 /nfs/dbraw/zinc/46/87/59/931468759.db2.gz PGXHCMPLVYGIAB-MRXNPFEDSA-N 1 0 370.522 3.949 20 30 FHEDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000610473622 931475678 /nfs/dbraw/zinc/47/56/78/931475678.db2.gz NADJZZCHPQNYLU-UHFFFAOYSA-N 1 0 365.477 3.959 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)ccc1C ZINC000064614511 931542305 /nfs/dbraw/zinc/54/23/05/931542305.db2.gz XBBZPQHGQWGMGH-UHFFFAOYSA-N 1 0 354.450 3.985 20 30 FHEDRO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC000187376112 931585944 /nfs/dbraw/zinc/58/59/44/931585944.db2.gz SFZZXOJYBAUNTG-CQSZACIVSA-N 1 0 365.380 3.534 20 30 FHEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000581161320 931625450 /nfs/dbraw/zinc/62/54/50/931625450.db2.gz UMRLJUGNTHFIKZ-SCLBCKFNSA-N 1 0 352.434 3.922 20 30 FHEDRO N#Cc1nnc2ccccc2c1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000077214007 931634371 /nfs/dbraw/zinc/63/43/71/931634371.db2.gz BMMKLZIZINPSNM-UHFFFAOYSA-N 1 0 363.490 3.887 20 30 FHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000581221313 931695886 /nfs/dbraw/zinc/69/58/86/931695886.db2.gz ZWGWUHWSTAYRAX-AWEZNQCLSA-N 1 0 368.868 3.562 20 30 FHEDRO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c1 ZINC000610488718 931722248 /nfs/dbraw/zinc/72/22/48/931722248.db2.gz CAENVVBYUSALSQ-OAHLLOKOSA-N 1 0 365.380 3.534 20 30 FHEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000156975039 931752475 /nfs/dbraw/zinc/75/24/75/931752475.db2.gz LXFQZNNZUAHFIT-FCHUYYIVSA-N 1 0 374.488 3.567 20 30 FHEDRO N#Cc1ccc2ncc(C[NH2+]CCCOc3ccc4ccccc4c3)n2c1 ZINC000134420196 931764463 /nfs/dbraw/zinc/76/44/63/931764463.db2.gz DZJVZIFORGIQLL-UHFFFAOYSA-N 1 0 356.429 3.918 20 30 FHEDRO N#CCC1(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000430545306 931771243 /nfs/dbraw/zinc/77/12/43/931771243.db2.gz VPXGPCPHUGYURM-UHFFFAOYSA-N 1 0 354.498 3.556 20 30 FHEDRO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000160890361 931969377 /nfs/dbraw/zinc/96/93/77/931969377.db2.gz RBPKPPCGZDHEHP-UHFFFAOYSA-N 1 0 352.478 3.720 20 30 FHEDRO C=CC[S@@](=O)(=NC(=O)C[C@@H](n1ccnc1)C(F)(F)F)c1ccccc1 ZINC000891382569 931981895 /nfs/dbraw/zinc/98/18/95/931981895.db2.gz PDMHKEKEYWBZPY-PWECECGKSA-N 1 0 371.384 3.616 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC(=O)N1CCC(Cc3ccccc3)CC1)CC2 ZINC000581518240 932196453 /nfs/dbraw/zinc/19/64/53/932196453.db2.gz SJADZYZELNUEQA-HSZRJFAPSA-N 1 0 373.500 3.616 20 30 FHEDRO N#CCC1(C[NH2+]C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000581544129 932230595 /nfs/dbraw/zinc/23/05/95/932230595.db2.gz LPPATUGZBGWZEF-KRWDZBQOSA-N 1 0 352.434 3.502 20 30 FHEDRO C[N@H+](Cc1ccc(I)cc1)Cc1cccc(C#N)c1 ZINC000088174625 932233004 /nfs/dbraw/zinc/23/30/04/932233004.db2.gz XEEWFAHVTQZGBG-UHFFFAOYSA-N 1 0 362.214 3.795 20 30 FHEDRO CCOC(CCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl)OCC ZINC000276402763 932348751 /nfs/dbraw/zinc/34/87/51/932348751.db2.gz UVWKEBYPVWOCAH-LLVKDONJSA-N 1 0 362.301 3.748 20 30 FHEDRO CCOC(CCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl)OCC ZINC000276402770 932349238 /nfs/dbraw/zinc/34/92/38/932349238.db2.gz UVWKEBYPVWOCAH-NSHDSACASA-N 1 0 362.301 3.748 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000477159223 932360809 /nfs/dbraw/zinc/36/08/09/932360809.db2.gz DBLGNUZKZZVWRK-KRWDZBQOSA-N 1 0 352.526 3.923 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000477269840 932429439 /nfs/dbraw/zinc/42/94/39/932429439.db2.gz BSLVEGMMPUSAQE-PZJWPPBQSA-N 1 0 355.526 3.914 20 30 FHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+]C1([C@H]3CCCCO3)CC1)CCCC2 ZINC000933377022 932520173 /nfs/dbraw/zinc/52/01/73/932520173.db2.gz CDYAKVFZOMVHPW-QGZVFWFLSA-N 1 0 373.522 3.518 20 30 FHEDRO N#CCC[C@@H](C#N)CNCc1cc(Br)ccc1Br ZINC000581701318 932523632 /nfs/dbraw/zinc/52/36/32/932523632.db2.gz XOPWPGFBVLWEMW-JTQLQIEISA-N 1 0 371.076 3.745 20 30 FHEDRO N#Cc1cccc(OC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000157911818 932576664 /nfs/dbraw/zinc/57/66/64/932576664.db2.gz PLPBXNXZMXCSIW-UHFFFAOYSA-N 1 0 374.444 3.694 20 30 FHEDRO C=CCc1cc(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc(OC)c1O ZINC000510466924 932709343 /nfs/dbraw/zinc/70/93/43/932709343.db2.gz DGUBWVSWIKMFPV-HLIPFELVSA-N 1 0 358.526 3.967 20 30 FHEDRO CC1(C)CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H]1c1ccccc1 ZINC000933513146 932753374 /nfs/dbraw/zinc/75/33/74/932753374.db2.gz NXKHLGCWFYLTPC-VQTJNVASSA-N 1 0 356.510 3.573 20 30 FHEDRO CON=Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000255373537 932864206 /nfs/dbraw/zinc/86/42/06/932864206.db2.gz KQLCGJISPUPAGC-PKOBYXMFSA-N 1 0 371.506 3.541 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000548318690 932948958 /nfs/dbraw/zinc/94/89/58/932948958.db2.gz CKLVOSGMNWHMMA-KRWDZBQOSA-N 1 0 362.260 3.898 20 30 FHEDRO CCc1oc2ccccc2c1C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000610556505 932957330 /nfs/dbraw/zinc/95/73/30/932957330.db2.gz JNDIWVAFVFGDIO-QGZVFWFLSA-N 1 0 364.445 3.739 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000471810095 932998491 /nfs/dbraw/zinc/99/84/91/932998491.db2.gz MYZFZMISPPFJAV-PXNSSMCTSA-N 1 0 359.489 3.802 20 30 FHEDRO N#CCC[C@@H](NC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2)c1ccccc1 ZINC000891703991 933037042 /nfs/dbraw/zinc/03/70/42/933037042.db2.gz MWLUGJOQIVKMAL-RTBURBONSA-N 1 0 354.498 3.643 20 30 FHEDRO C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000581971654 933142110 /nfs/dbraw/zinc/14/21/10/933142110.db2.gz FPYJEZNQDWIRQC-UHFFFAOYSA-N 1 0 361.493 3.816 20 30 FHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1)[NH+](C)C ZINC000510546055 933207967 /nfs/dbraw/zinc/20/79/67/933207967.db2.gz MPDJMLJUXGQQJJ-UTKZUKDTSA-N 1 0 361.489 3.706 20 30 FHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+](C)C ZINC000510552507 933217567 /nfs/dbraw/zinc/21/75/67/933217567.db2.gz VTUGMWONUFMKRE-LAUBAEHRSA-N 1 0 361.489 3.971 20 30 FHEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000510680658 933405276 /nfs/dbraw/zinc/40/52/76/933405276.db2.gz LBGILEXVMSEIDB-INIZCTEOSA-N 1 0 364.449 3.814 20 30 FHEDRO C[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCCCCC1 ZINC000510744573 933617050 /nfs/dbraw/zinc/61/70/50/933617050.db2.gz ADZGWDWASGKMIN-KKXNLOMOSA-N 1 0 369.509 3.629 20 30 FHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000610669282 933695457 /nfs/dbraw/zinc/69/54/57/933695457.db2.gz IKPYJJTUDOHVSX-OAHLLOKOSA-N 1 0 369.415 3.573 20 30 FHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C2CC2)c1 ZINC000933847402 933706423 /nfs/dbraw/zinc/70/64/23/933706423.db2.gz MBEJZMNYFBPHSX-KRWDZBQOSA-N 1 0 352.482 3.775 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000091949341 933736203 /nfs/dbraw/zinc/73/62/03/933736203.db2.gz XERBRZOFHJSTQL-SFHVURJKSA-N 1 0 356.510 3.722 20 30 FHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000471927180 933834654 /nfs/dbraw/zinc/83/46/54/933834654.db2.gz ADJCPGXNMZEEGK-MSOLQXFVSA-N 1 0 354.841 3.779 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000178405350 933964451 /nfs/dbraw/zinc/96/44/51/933964451.db2.gz MIUVQYBYWYPHSZ-UHFFFAOYSA-N 1 0 362.477 3.649 20 30 FHEDRO CCCC[NH+]1CCC(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000176071829 933978506 /nfs/dbraw/zinc/97/85/06/933978506.db2.gz GTOVFDDQSBZTJT-UHFFFAOYSA-N 1 0 366.412 3.546 20 30 FHEDRO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000563027901 933980353 /nfs/dbraw/zinc/98/03/53/933980353.db2.gz ONWLMMQDRGQKEI-ZIFCJYIRSA-N 1 0 354.498 3.641 20 30 FHEDRO N#CCCC[C@H](NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000891919678 934038106 /nfs/dbraw/zinc/03/81/06/934038106.db2.gz ZTCUURBHGWIBTQ-RTWAWAEBSA-N 1 0 364.493 3.681 20 30 FHEDRO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000187664838 934132547 /nfs/dbraw/zinc/13/25/47/934132547.db2.gz CFHBAGPELWGKIH-SFHVURJKSA-N 1 0 361.489 3.956 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000187666350 934134220 /nfs/dbraw/zinc/13/42/20/934134220.db2.gz HLZRNKQTOMIRGV-HNNXBMFYSA-N 1 0 359.433 3.944 20 30 FHEDRO COc1ccc([C@@H](C/N=C/c2cccc(OC)c2O)[NH+]2CCCC2)cc1 ZINC000022768432 934362776 /nfs/dbraw/zinc/36/27/76/934362776.db2.gz BKUNBEOFGRTATG-VZMFNRANSA-N 1 0 354.450 3.665 20 30 FHEDRO Cc1cc(NC(=O)CSc2ccc(C#N)cc2)ccc1OCC[NH+](C)C ZINC000458190510 934363260 /nfs/dbraw/zinc/36/32/60/934363260.db2.gz FPFFRGGYZHXAGY-UHFFFAOYSA-N 1 0 369.490 3.538 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(-c2ccccc2)n1 ZINC000535809010 934416949 /nfs/dbraw/zinc/41/69/49/934416949.db2.gz BNROSDPBSGIVEJ-UXHICEINSA-N 1 0 364.493 3.712 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000610877723 934546487 /nfs/dbraw/zinc/54/64/87/934546487.db2.gz VQQSHOZXSDTBPA-KRWDZBQOSA-N 1 0 368.868 3.950 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(SCC#N)c2)cc1F ZINC000458287516 934593240 /nfs/dbraw/zinc/59/32/40/934593240.db2.gz LEKDUQWWUINDHM-UHFFFAOYSA-N 1 0 373.453 3.634 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458299139 934611893 /nfs/dbraw/zinc/61/18/93/934611893.db2.gz AWDXXOMXWPTEOM-QUCCMNQESA-N 1 0 356.514 3.841 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000176231153 934644733 /nfs/dbraw/zinc/64/47/33/934644733.db2.gz CLGHPTGNKOYVFE-UHFFFAOYSA-N 1 0 374.893 3.654 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000458319808 934687040 /nfs/dbraw/zinc/68/70/40/934687040.db2.gz LFVRTAHRUQGADY-ZNMIVQPWSA-N 1 0 361.452 3.788 20 30 FHEDRO Cc1cccc(C2([NH2+]C[C@H](O)COc3ccc(CC#N)cc3)CCCC2)c1 ZINC000610987435 934692908 /nfs/dbraw/zinc/69/29/08/934692908.db2.gz QVGDAUAEBOWJSQ-NRFANRHFSA-N 1 0 364.489 3.860 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCc2ccncc2)c1 ZINC000181476643 934707487 /nfs/dbraw/zinc/70/74/87/934707487.db2.gz FYHZWSQABGHBQD-IBGZPJMESA-N 1 0 364.493 3.508 20 30 FHEDRO C=CCOc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181551474 934740548 /nfs/dbraw/zinc/74/05/48/934740548.db2.gz RCTLLIQUATXPHF-AEFFLSMTSA-N 1 0 372.509 3.643 20 30 FHEDRO C[NH+]1CCC([C@@H]2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)C2)CC1 ZINC000535914792 934785217 /nfs/dbraw/zinc/78/52/17/934785217.db2.gz NZQSJXXZEWAXSM-CQSZACIVSA-N 1 0 356.420 3.553 20 30 FHEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)OCC ZINC000535914632 934785753 /nfs/dbraw/zinc/78/57/53/934785753.db2.gz MIKMUVLUEPLNAU-YLJYHZDGSA-N 1 0 360.498 3.717 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000084319986 934827217 /nfs/dbraw/zinc/82/72/17/934827217.db2.gz AIOMPDZYFXSAOH-UHFFFAOYSA-N 1 0 362.477 3.995 20 30 FHEDRO COc1ccc(CNc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000119479359 934828877 /nfs/dbraw/zinc/82/88/77/934828877.db2.gz VCHDOTCVJKYWGV-CALCHBBNSA-N 1 0 365.477 3.788 20 30 FHEDRO N#Cc1cc(Br)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000320335144 934830629 /nfs/dbraw/zinc/83/06/29/934830629.db2.gz MOAIUOWHOUMARE-UHFFFAOYSA-N 1 0 362.315 3.629 20 30 FHEDRO N#Cc1cc(Br)ccc1CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000320386449 934853251 /nfs/dbraw/zinc/85/32/51/934853251.db2.gz SNIGPWUZOYKDPH-RCCFBDPRSA-N 1 0 363.299 3.836 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000425733191 945071991 /nfs/dbraw/zinc/07/19/91/945071991.db2.gz ASOPYGXRKATDJW-KRWDZBQOSA-N 1 0 364.493 3.565 20 30 FHEDRO N#Cc1ccc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cc1Cl ZINC000548632250 935068260 /nfs/dbraw/zinc/06/82/60/935068260.db2.gz ARMLUVIZOKHCSN-UHFFFAOYSA-N 1 0 353.853 3.954 20 30 FHEDRO CC(C)C[C@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000509544631 945074429 /nfs/dbraw/zinc/07/44/29/945074429.db2.gz QKNIVZNLEDEPFM-IEBWSBKVSA-N 1 0 363.452 3.588 20 30 FHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC001167516539 935103407 /nfs/dbraw/zinc/10/34/07/935103407.db2.gz GCRTVUUJSZWQIK-SFTDATJTSA-N 1 0 352.478 3.560 20 30 FHEDRO CC(C)[C@H](CC[N@H+](C)CCc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC001167526023 935121220 /nfs/dbraw/zinc/12/12/20/935121220.db2.gz MUVHDYNVBMTIHX-IBGZPJMESA-N 1 0 359.514 3.972 20 30 FHEDRO N#Cc1ccc(O[C@@H]2CCN(Cc3nc(-c4ccccc4)cs3)C2)nc1 ZINC000582039288 935158747 /nfs/dbraw/zinc/15/87/47/935158747.db2.gz IBELDTUJTXVQGD-QGZVFWFLSA-N 1 0 362.458 3.730 20 30 FHEDRO C=CC[C@H](C)NC(=O)N1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000438842447 945088964 /nfs/dbraw/zinc/08/89/64/945088964.db2.gz RPUJQZYFOISCDM-XKGZKEIXSA-N 1 0 358.530 3.597 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc3ccc(C#N)cc3c2C)[C@H](C)C1 ZINC000551404772 935269605 /nfs/dbraw/zinc/26/96/05/935269605.db2.gz WLWKSGCIHIGCBG-CXAGYDPISA-N 1 0 355.507 3.884 20 30 FHEDRO C=CCCn1cc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)nn1 ZINC000657337565 935270828 /nfs/dbraw/zinc/27/08/28/935270828.db2.gz ZMFHOTPDUQQUQA-UHFFFAOYSA-N 1 0 353.514 3.520 20 30 FHEDRO C=CC[C@H](C)NC(=O)N1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000438842444 945089212 /nfs/dbraw/zinc/08/92/12/945089212.db2.gz RPUJQZYFOISCDM-QRFRQXIXSA-N 1 0 358.530 3.597 20 30 FHEDRO CC[NH2+]CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414899360 945093816 /nfs/dbraw/zinc/09/38/16/945093816.db2.gz FREMPRXUCHDVDM-KRWDZBQOSA-N 1 0 356.857 3.726 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000516647582 945094734 /nfs/dbraw/zinc/09/47/34/945094734.db2.gz WDFXEIGTKCIMMU-WIYYLYMNSA-N 1 0 368.525 3.765 20 30 FHEDRO C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000108591912 935364812 /nfs/dbraw/zinc/36/48/12/935364812.db2.gz CQOLKCSCXIOFHM-UHFFFAOYSA-N 1 0 367.449 3.562 20 30 FHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000582258132 935454883 /nfs/dbraw/zinc/45/48/83/935454883.db2.gz CTIDYSQKRQNPLW-UHFFFAOYSA-N 1 0 359.489 3.699 20 30 FHEDRO C[C@H](c1ccncc1)[NH+]1CCC(N=Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000158272179 935477988 /nfs/dbraw/zinc/47/79/88/935477988.db2.gz BAPQWQZFPLHLSD-DTVDJLOLSA-N 1 0 360.461 3.980 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000187730704 935493975 /nfs/dbraw/zinc/49/39/75/935493975.db2.gz UOACDOGZTBPYNC-MRXNPFEDSA-N 1 0 351.425 3.606 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000660514636 945108121 /nfs/dbraw/zinc/10/81/21/945108121.db2.gz NXSJIJYXRNLSBS-ZWKOTPCHSA-N 1 0 361.555 3.958 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2csc3ccccc23)cc1 ZINC000516666975 945110074 /nfs/dbraw/zinc/11/00/74/945110074.db2.gz MUZPTYMVYNWRAP-SFHVURJKSA-N 1 0 366.486 3.539 20 30 FHEDRO CCOc1cccc(C=Nc2ccc(N3CC[NH+](CC)CC3)cc2C)c1O ZINC000255502609 935607482 /nfs/dbraw/zinc/60/74/82/935607482.db2.gz JKPQHRSLUFDOML-UHFFFAOYSA-N 1 0 367.493 3.992 20 30 FHEDRO C=CCCC(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000582408784 935660919 /nfs/dbraw/zinc/66/09/19/935660919.db2.gz JLFBTZMZMXRMFK-UHFFFAOYSA-N 1 0 362.271 3.641 20 30 FHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187757337 935675999 /nfs/dbraw/zinc/67/59/99/935675999.db2.gz DCFQBZKJAZBDJY-LIRRHRJNSA-N 1 0 351.368 3.751 20 30 FHEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000511124709 935700237 /nfs/dbraw/zinc/70/02/37/935700237.db2.gz UFGQPNHXNGZHQY-RDJZCZTQSA-N 1 0 352.400 3.672 20 30 FHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000509566045 945118816 /nfs/dbraw/zinc/11/88/16/945118816.db2.gz COLDVFWYLMKFHX-YJBOKZPZSA-N 1 0 366.465 3.569 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000431417033 935742381 /nfs/dbraw/zinc/74/23/81/935742381.db2.gz XOYOVXSYBDHGCN-UHFFFAOYSA-N 1 0 372.513 3.837 20 30 FHEDRO Cc1nc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccc1C#N ZINC000479220557 935819413 /nfs/dbraw/zinc/81/94/13/935819413.db2.gz ITXLPZAHJNRNEZ-INIZCTEOSA-N 1 0 362.477 3.566 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)Nc1ccccc1C#N ZINC000023994847 935877840 /nfs/dbraw/zinc/87/78/40/935877840.db2.gz IHHCSONYYGGNJR-STQMWFEESA-N 1 0 372.266 3.999 20 30 FHEDRO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000472237713 935916377 /nfs/dbraw/zinc/91/63/77/935916377.db2.gz GRQOPZZTWYHDDR-RBBKRZOGSA-N 1 0 361.489 3.690 20 30 FHEDRO C[N@H+](CCCCC(C)(C)C#N)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000277778411 935923186 /nfs/dbraw/zinc/92/31/86/935923186.db2.gz RRBHEUSBUDVWDU-OAHLLOKOSA-N 1 0 366.303 3.627 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CCC1 ZINC000472251092 936025439 /nfs/dbraw/zinc/02/54/39/936025439.db2.gz RFTJZDPCOHHGTD-UHFFFAOYSA-N 1 0 368.481 3.821 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000511192285 936049780 /nfs/dbraw/zinc/04/97/80/936049780.db2.gz QKYWZIGSCJDYHL-QGZVFWFLSA-N 1 0 359.901 3.940 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000077840410 936058116 /nfs/dbraw/zinc/05/81/16/936058116.db2.gz BXJUFYQBZDLRQZ-DYESRHJHSA-N 1 0 362.477 3.583 20 30 FHEDRO C=CCC1([NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)CCOCC1 ZINC000657633842 936123944 /nfs/dbraw/zinc/12/39/44/936123944.db2.gz ZFNXOJWYYCPATB-UHFFFAOYSA-N 1 0 368.477 3.884 20 30 FHEDRO CC[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000472261028 936133160 /nfs/dbraw/zinc/13/31/60/936133160.db2.gz PXHNXIVPXAFMKM-IFMALSPDSA-N 1 0 361.489 3.690 20 30 FHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1ccccc1 ZINC000078557733 936201218 /nfs/dbraw/zinc/20/12/18/936201218.db2.gz RZQNHARPTAMTDT-UHFFFAOYSA-N 1 0 356.539 3.827 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000415223988 945154416 /nfs/dbraw/zinc/15/44/16/945154416.db2.gz AOSACIAEKWVCEX-ZFWWWQNUSA-N 1 0 368.412 3.739 20 30 FHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCSCC#N)[C@@H]2CCCC[C@H]12 ZINC000439985824 945154046 /nfs/dbraw/zinc/15/40/46/945154046.db2.gz WCBZFLRKDLTZFI-NTZUZEMLSA-N 1 0 365.587 3.817 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000329199531 938285251 /nfs/dbraw/zinc/28/52/51/938285251.db2.gz XANBXALYNCOWDN-IEBWSBKVSA-N 1 0 371.481 3.775 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+][C@H](c3ccc(Cl)cc3)C3CCC3)cnc12 ZINC000583515888 938288632 /nfs/dbraw/zinc/28/86/32/938288632.db2.gz BCFLZPQMTONVJO-SFHVURJKSA-N 1 0 351.841 3.885 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1Cl ZINC000657768867 938299205 /nfs/dbraw/zinc/29/92/05/938299205.db2.gz ZEARIMGILSVXHL-IBGZPJMESA-N 1 0 353.890 3.562 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000163235867 938310035 /nfs/dbraw/zinc/31/00/35/938310035.db2.gz HYRPCTQLNKXJMX-INIZCTEOSA-N 1 0 372.818 3.747 20 30 FHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 ZINC000572984977 938327534 /nfs/dbraw/zinc/32/75/34/938327534.db2.gz UOHFTLIQOJNGQT-UHFFFAOYSA-N 1 0 371.431 3.998 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC(C)(C)C1 ZINC000583662466 938347605 /nfs/dbraw/zinc/34/76/05/938347605.db2.gz DTYYDUFZYNIKKL-MRXNPFEDSA-N 1 0 363.889 3.820 20 30 FHEDRO C[C@@H]1C[C@H](N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000583675944 938353226 /nfs/dbraw/zinc/35/32/26/938353226.db2.gz NGPPHDPXRCEYFL-OXQOHEQNSA-N 1 0 364.449 3.956 20 30 FHEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000278383830 938368478 /nfs/dbraw/zinc/36/84/78/938368478.db2.gz DFJGQSMXQSMJNY-ZMSDIMECSA-N 1 0 361.511 3.567 20 30 FHEDRO CC(C)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(Cl)c(Cl)c1 ZINC000583743317 938385082 /nfs/dbraw/zinc/38/50/82/938385082.db2.gz GMPFNSIRDXNCNQ-UHFFFAOYSA-N 1 0 374.275 3.975 20 30 FHEDRO C=C(Br)CNC(=[NH+]C)N1CC[C@H](CSc2ccccc2)C1 ZINC000176795299 938421751 /nfs/dbraw/zinc/42/17/51/938421751.db2.gz XUIVUOADTMTUHL-AWEZNQCLSA-N 1 0 368.344 3.585 20 30 FHEDRO C=C(Br)CNC(=[NH+]C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000176795312 938421854 /nfs/dbraw/zinc/42/18/54/938421854.db2.gz XUIVUOADTMTUHL-CQSZACIVSA-N 1 0 368.344 3.585 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1OCCCC#N ZINC000583813499 938429542 /nfs/dbraw/zinc/42/95/42/938429542.db2.gz WHKXYJRVAZFTKP-LJQANCHMSA-N 1 0 351.450 3.762 20 30 FHEDRO CC(C)(CNC(=O)N[C@@H](CCCC#N)c1ccccc1)C[NH+]1CCCC1 ZINC000458699389 938447236 /nfs/dbraw/zinc/44/72/36/938447236.db2.gz PJMIFJOQBKNZPZ-IBGZPJMESA-N 1 0 356.514 3.843 20 30 FHEDRO Cc1ccc(C)n1C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000507379691 945177900 /nfs/dbraw/zinc/17/79/00/945177900.db2.gz NUTDBTRWHSIIKN-UHFFFAOYSA-N 1 0 350.466 3.642 20 30 FHEDRO C=CCN(CC=C)C(=O)c1ccc(NCc2c[nH+]ccc2N(C)C)cc1 ZINC000437260787 945176439 /nfs/dbraw/zinc/17/64/39/945176439.db2.gz RPSVNPDRXKJCLP-UHFFFAOYSA-N 1 0 350.466 3.574 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000247968597 938522971 /nfs/dbraw/zinc/52/29/71/938522971.db2.gz FFKTUKILQAMROG-FGZHOGPDSA-N 1 0 374.488 3.701 20 30 FHEDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000536183768 938527458 /nfs/dbraw/zinc/52/74/58/938527458.db2.gz JSBUUFIUYDCQSQ-UHFFFAOYSA-N 1 0 352.434 3.522 20 30 FHEDRO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000329643555 938570714 /nfs/dbraw/zinc/57/07/14/938570714.db2.gz IYBLIVNGEYOKJC-WBVHZDCISA-N 1 0 355.482 3.912 20 30 FHEDRO CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427197007 945187864 /nfs/dbraw/zinc/18/78/64/945187864.db2.gz IZWLLZAERRNJHA-UHFFFAOYSA-N 1 0 373.453 3.614 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000584088615 938590748 /nfs/dbraw/zinc/59/07/48/938590748.db2.gz XXIZHRYSZUHFCI-FXAWDEMLSA-N 1 0 350.441 3.728 20 30 FHEDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000562427814 938592378 /nfs/dbraw/zinc/59/23/78/938592378.db2.gz FVFXJJDMPLMYDP-OAQYLSRUSA-N 1 0 372.476 3.899 20 30 FHEDRO C[C@@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807446 938614406 /nfs/dbraw/zinc/61/44/06/938614406.db2.gz ISZHXCGLELTMQT-IAGOWNOFSA-N 1 0 368.502 3.701 20 30 FHEDRO C=C(C)[C@H](NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccc(F)c(F)c1 ZINC000248566896 938651445 /nfs/dbraw/zinc/65/14/45/938651445.db2.gz QDTDAWPNHSMLQF-BEFAXECRSA-N 1 0 365.468 3.859 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000584350786 938696128 /nfs/dbraw/zinc/69/61/28/938696128.db2.gz CMPRILVLNOSQBB-LSDHHAIUSA-N 1 0 352.438 3.906 20 30 FHEDRO CN(CC[NH+](C)C)C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000611825815 938703450 /nfs/dbraw/zinc/70/34/50/938703450.db2.gz ANSZGKFJKDBERO-UHFFFAOYSA-N 1 0 374.300 3.610 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(Sc2ccccn2)CC1 ZINC000081599501 938798551 /nfs/dbraw/zinc/79/85/51/938798551.db2.gz SJKBAUUVOSZWJE-UHFFFAOYSA-N 1 0 366.490 3.539 20 30 FHEDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278752804 938799438 /nfs/dbraw/zinc/79/94/38/938799438.db2.gz WMZZVSUQPPXDQF-ZWKOTPCHSA-N 1 0 355.511 3.623 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)CC1 ZINC000329800638 938829025 /nfs/dbraw/zinc/82/90/25/938829025.db2.gz ITLNCFDKHIVQIH-CQSZACIVSA-N 1 0 361.486 3.609 20 30 FHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458798346 938936183 /nfs/dbraw/zinc/93/61/83/938936183.db2.gz HVVHSCKUKACXNT-PMACEKPBSA-N 1 0 356.514 3.937 20 30 FHEDRO N#Cc1ccc(Oc2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)cc1 ZINC000168045032 938960970 /nfs/dbraw/zinc/96/09/70/938960970.db2.gz FPAZWKUHQADELB-UHFFFAOYSA-N 1 0 363.461 3.956 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)CC1 ZINC000157867617 938977055 /nfs/dbraw/zinc/97/70/55/938977055.db2.gz KPIFMJKTEDVKSD-UHFFFAOYSA-N 1 0 366.509 3.766 20 30 FHEDRO CC/[NH+]=C(/NCc1cn2ccsc2n1)NCc1oc2ccccc2c1C ZINC000262564603 938978236 /nfs/dbraw/zinc/97/82/36/938978236.db2.gz XOMWOONNBHQUNQ-UHFFFAOYSA-N 1 0 367.478 3.706 20 30 FHEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1-n1cncn1 ZINC000685443159 938986927 /nfs/dbraw/zinc/98/69/27/938986927.db2.gz VANOIUODUCRUFY-UHFFFAOYSA-N 1 0 350.470 3.623 20 30 FHEDRO C[C@@H](CCSc1ccccc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000431596009 938992449 /nfs/dbraw/zinc/99/24/49/938992449.db2.gz MOIZBELOVXEQDU-KRWDZBQOSA-N 1 0 352.507 3.646 20 30 FHEDRO C#CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000780514083 938997002 /nfs/dbraw/zinc/99/70/02/938997002.db2.gz AKEXPJVNRKLPFR-GOSISDBHSA-N 1 0 366.427 3.980 20 30 FHEDRO C=CCn1c(CC2CC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000685550702 938999053 /nfs/dbraw/zinc/99/90/53/938999053.db2.gz CZWGKKQHOATHKU-HXUWFJFHSA-N 1 0 365.525 3.517 20 30 FHEDRO CC(C)[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000181898110 939008516 /nfs/dbraw/zinc/00/85/16/939008516.db2.gz DATYSCPULNCBRF-KRWDZBQOSA-N 1 0 355.404 3.754 20 30 FHEDRO CN(C)c1ccc(N2CCC(Nc3ccc([N+](=O)[O-])c(C#N)c3)CC2)cc1 ZINC000166895887 939012845 /nfs/dbraw/zinc/01/28/45/939012845.db2.gz PXYCIQRWUXUJEB-UHFFFAOYSA-N 1 0 365.437 3.613 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000657983249 939016598 /nfs/dbraw/zinc/01/65/98/939016598.db2.gz RMRYLSBGDITGPN-FUHWJXTLSA-N 1 0 366.502 3.590 20 30 FHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000518228822 945221830 /nfs/dbraw/zinc/22/18/30/945221830.db2.gz ZTKMMSMEAXFDOH-UHFFFAOYSA-N 1 0 370.250 3.538 20 30 FHEDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000612075147 939039025 /nfs/dbraw/zinc/03/90/25/939039025.db2.gz IPIXTNBQORCJGZ-QFIPXVFZSA-N 1 0 353.510 3.756 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000658137236 939041380 /nfs/dbraw/zinc/04/13/80/939041380.db2.gz ZQVNJUNWUSNDQU-ICSRJNTNSA-N 1 0 371.525 3.718 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000612118558 939084670 /nfs/dbraw/zinc/08/46/70/939084670.db2.gz AVQMABUQMAMLFL-XJKSGUPXSA-N 1 0 364.367 3.668 20 30 FHEDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1F ZINC000507423423 945226349 /nfs/dbraw/zinc/22/63/49/945226349.db2.gz DAZRDWSRLVTUEU-VQTJNVASSA-N 1 0 351.425 3.934 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000892431883 939108549 /nfs/dbraw/zinc/10/85/49/939108549.db2.gz FAYNMIXOWZGYAY-UHFFFAOYSA-N 1 0 374.554 3.806 20 30 FHEDRO N#CCc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612131600 939118270 /nfs/dbraw/zinc/11/82/70/939118270.db2.gz FKRUJKFIRWLXRV-YTFSRNRJSA-N 1 0 373.500 3.783 20 30 FHEDRO C[NH+](C)[C@H](C/N=C\c1cc(Br)ccc1O)c1cccs1 ZINC000255729855 939150424 /nfs/dbraw/zinc/15/04/24/939150424.db2.gz KNUHASOJWZRVBL-ZLYHGVDXSA-N 1 0 353.285 3.938 20 30 FHEDRO C[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccccc1 ZINC000179476489 939171220 /nfs/dbraw/zinc/17/12/20/939171220.db2.gz MVBNXSPZBAHFTQ-YADHBBJMSA-N 1 0 374.488 3.678 20 30 FHEDRO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc(C#N)c1 ZINC000074918631 939192379 /nfs/dbraw/zinc/19/23/79/939192379.db2.gz VRRWNFMNKDRUJF-QUCCMNQESA-N 1 0 368.525 3.917 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000660568760 945256232 /nfs/dbraw/zinc/25/62/32/945256232.db2.gz YBDINNQIZFMKBE-LEWJYISDSA-N 1 0 355.526 3.549 20 30 FHEDRO N#Cc1cccc(F)c1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000506766686 945271718 /nfs/dbraw/zinc/27/17/18/945271718.db2.gz KWYNPBOIZVQFDP-UHFFFAOYSA-N 1 0 351.425 3.517 20 30 FHEDRO C[N@H+](CCOc1ccc(Br)cc1)Cc1ccc(C#N)s1 ZINC000506772569 945273498 /nfs/dbraw/zinc/27/34/98/945273498.db2.gz ANSRHNCALRTJNT-UHFFFAOYSA-N 1 0 351.269 3.893 20 30 FHEDRO C[N@@H+]1CC[C@@H](CNC(=O)CSc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000364321406 939923303 /nfs/dbraw/zinc/92/33/03/939923303.db2.gz KSJYQRZNEJUYLA-KXBFYZLASA-N 1 0 371.531 3.521 20 30 FHEDRO CC[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000179713258 939925710 /nfs/dbraw/zinc/92/57/10/939925710.db2.gz BBYWDSWVNQJJFX-MRXNPFEDSA-N 1 0 359.376 3.839 20 30 FHEDRO CC(C)C[N@H+](CCC#N)CCC(=O)Nc1ccc(Br)cc1 ZINC000725842170 939974473 /nfs/dbraw/zinc/97/44/73/939974473.db2.gz LFJNMHPOUCGZFO-UHFFFAOYSA-N 1 0 352.276 3.649 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000893402402 945290621 /nfs/dbraw/zinc/29/06/21/945290621.db2.gz RHMZTRZDMXGHTK-UHFFFAOYSA-N 1 0 362.543 3.807 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000612357874 940020925 /nfs/dbraw/zinc/02/09/25/940020925.db2.gz SOJNBJGHRJCGCX-ICSRJNTNSA-N 1 0 374.916 3.812 20 30 FHEDRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)sc1C ZINC000065930090 940078351 /nfs/dbraw/zinc/07/83/51/940078351.db2.gz YBYNNIJOHVWVLE-UHFFFAOYSA-N 1 0 355.507 3.695 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccccc1Cl ZINC000065930036 940078684 /nfs/dbraw/zinc/07/86/84/940078684.db2.gz OPEOTQUOKCSYKC-UHFFFAOYSA-N 1 0 369.896 3.735 20 30 FHEDRO N#CCCCC[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000375961841 940116291 /nfs/dbraw/zinc/11/62/91/940116291.db2.gz MGSPOPUBIQHQPN-UHFFFAOYSA-N 1 0 356.388 3.648 20 30 FHEDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000548936008 940119312 /nfs/dbraw/zinc/11/93/12/940119312.db2.gz GKZWAEYBCQJDST-IRXDYDNUSA-N 1 0 361.489 3.965 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCCC3)[C@H]2c2ccco2)CC1 ZINC000660597933 945299971 /nfs/dbraw/zinc/29/99/71/945299971.db2.gz SURJIOJQIDJPNZ-LJQANCHMSA-N 1 0 357.498 3.947 20 30 FHEDRO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@](CO)(CCC)C2)cc1OC ZINC000628283581 940166771 /nfs/dbraw/zinc/16/67/71/940166771.db2.gz BJUMRAHJIKJRAK-IBGZPJMESA-N 1 0 353.890 3.898 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1F ZINC000179967125 940175322 /nfs/dbraw/zinc/17/53/22/940175322.db2.gz BJBNRUDHUGYCOC-KUHUBIRLSA-N 1 0 367.424 3.552 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc3ccccc3o2)c(OC)c1 ZINC000548949833 940191381 /nfs/dbraw/zinc/19/13/81/940191381.db2.gz DMBGPTCVXGALSJ-SFHVURJKSA-N 1 0 367.445 3.699 20 30 FHEDRO C[S@@](=O)c1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000179983797 940197028 /nfs/dbraw/zinc/19/70/28/940197028.db2.gz GPVXVQJMPMWOHL-AREMUKBSSA-N 1 0 371.481 3.511 20 30 FHEDRO N#CCCC1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000570333658 940252160 /nfs/dbraw/zinc/25/21/60/940252160.db2.gz HNDMNNTWWUYJJR-FYYLOGMGSA-N 1 0 365.521 3.831 20 30 FHEDRO Cn1cc(C[NH2+]CCCOC2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180036826 940299174 /nfs/dbraw/zinc/29/91/74/940299174.db2.gz MGWJRDRVANDZCU-UHFFFAOYSA-N 1 0 352.482 3.788 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000066178415 940326876 /nfs/dbraw/zinc/32/68/76/940326876.db2.gz GFOZXYTUFHQKRL-IBGZPJMESA-N 1 0 370.522 3.843 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000066179278 940327073 /nfs/dbraw/zinc/32/70/73/940327073.db2.gz OJMZAAMOOWRCSI-IBGZPJMESA-N 1 0 370.541 3.990 20 30 FHEDRO C[NH+](C)CCOc1ccccc1-c1noc(/C=C\c2ccccc2C#N)n1 ZINC000612937177 940346088 /nfs/dbraw/zinc/34/60/88/940346088.db2.gz SZCITKADOAYOGY-QXMHVHEDSA-N 1 0 360.417 3.719 20 30 FHEDRO N#Cc1csc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000177707532 940372503 /nfs/dbraw/zinc/37/25/03/940372503.db2.gz GMCIUQGUENBYNF-CQSZACIVSA-N 1 0 363.433 3.980 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3ccc(C(C)(C)C)cc3C2)CC1 ZINC000511409955 940395690 /nfs/dbraw/zinc/39/56/90/940395690.db2.gz LXEBKSZHKMKDJH-UHFFFAOYSA-N 1 0 355.526 3.702 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000376167283 940405042 /nfs/dbraw/zinc/40/50/42/940405042.db2.gz QJUJMAGJZKETSK-JHVJFLLYSA-N 1 0 353.441 3.824 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@@H](c2ccco2)N2CCCCC2)O1 ZINC000376168698 940410077 /nfs/dbraw/zinc/41/00/77/940410077.db2.gz VPJUMHBWKSOUOK-LTFPLMDUSA-N 1 0 357.498 3.636 20 30 FHEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000579958096 940424608 /nfs/dbraw/zinc/42/46/08/940424608.db2.gz QUWFYIAXTWPYFN-IEBWSBKVSA-N 1 0 370.840 3.655 20 30 FHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(C#N)o2)cc1 ZINC000431734124 940435877 /nfs/dbraw/zinc/43/58/77/940435877.db2.gz BKKZPPJMXRYFFI-UHFFFAOYSA-N 1 0 359.429 3.810 20 30 FHEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000066468798 940498102 /nfs/dbraw/zinc/49/81/02/940498102.db2.gz OMZKLZRUQBGAID-NRFANRHFSA-N 1 0 360.461 3.633 20 30 FHEDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000414096240 940498713 /nfs/dbraw/zinc/49/87/13/940498713.db2.gz ICHVEPSJJBWZCW-YOEHRIQHSA-N 1 0 374.282 3.634 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000581431906 940502430 /nfs/dbraw/zinc/50/24/30/940502430.db2.gz ATZWKCGBIPCTAX-HNNXBMFYSA-N 1 0 350.422 3.917 20 30 FHEDRO C=C(C)COc1cc(CN(C)CC(=O)Nc2cccc(F)c2)ccc1OC ZINC000506803378 945341243 /nfs/dbraw/zinc/34/12/43/945341243.db2.gz GQWVJHRMZVBZIK-UHFFFAOYSA-N 1 0 372.440 3.860 20 30 FHEDRO Cn1cc(C[N@H+](C)[C@H]2CCc3ccccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180160634 940721018 /nfs/dbraw/zinc/72/10/18/940721018.db2.gz CKAPIQTUDIRQFI-QFIPXVFZSA-N 1 0 356.473 3.948 20 30 FHEDRO CC(C)c1nc(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cs1 ZINC000180161218 940721586 /nfs/dbraw/zinc/72/15/86/940721586.db2.gz MUVSQTOEVJGWJS-UHFFFAOYSA-N 1 0 365.506 3.871 20 30 FHEDRO O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000330087995 945351424 /nfs/dbraw/zinc/35/14/24/945351424.db2.gz UICVMGKYELCHDV-GOSISDBHSA-N 1 0 373.888 3.631 20 30 FHEDRO Cn1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180227755 940843669 /nfs/dbraw/zinc/84/36/69/940843669.db2.gz JCOLHAUTBSVKEN-RXVVDRJESA-N 1 0 366.509 3.890 20 30 FHEDRO COc1cc(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1C ZINC000180239921 940852656 /nfs/dbraw/zinc/85/26/56/940852656.db2.gz ABRQGMAZVYCGGK-UHFFFAOYSA-N 1 0 360.461 3.608 20 30 FHEDRO C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cn2)C[C@H](C)O1 ZINC000330099718 945356293 /nfs/dbraw/zinc/35/62/93/945356293.db2.gz ZYYJNVAMPUEINT-FCEWJHQRSA-N 1 0 372.513 3.690 20 30 FHEDRO CO[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000180270457 940898919 /nfs/dbraw/zinc/89/89/19/940898919.db2.gz MXYQHUUCSXINKT-FQEVSTJZSA-N 1 0 364.424 3.575 20 30 FHEDRO N#Cc1ccccc1N1CCC(C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000376397527 940911491 /nfs/dbraw/zinc/91/14/91/940911491.db2.gz KDJAATGWZHGDLR-OAQYLSRUSA-N 1 0 353.510 3.714 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000414296742 940912900 /nfs/dbraw/zinc/91/29/00/940912900.db2.gz GRXDIFWVFKRSEX-IEBWSBKVSA-N 1 0 372.534 3.789 20 30 FHEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)Nc1nc2c(s1)CCCC2 ZINC000330120760 945364388 /nfs/dbraw/zinc/36/43/88/945364388.db2.gz BFPOZFQWDQNCRQ-DZGCQCFKSA-N 1 0 351.516 3.793 20 30 FHEDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc(C#N)cc3)oc21 ZINC000180355707 940982874 /nfs/dbraw/zinc/98/28/74/940982874.db2.gz LXLZZLDCEWDRFV-AWEZNQCLSA-N 1 0 363.417 3.992 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC000180364319 940989396 /nfs/dbraw/zinc/98/93/96/940989396.db2.gz MADMWJOHKSJXDU-HNNXBMFYSA-N 1 0 366.273 3.822 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000540972573 941010218 /nfs/dbraw/zinc/01/02/18/941010218.db2.gz DJTLQNVPOUZSKI-UHFFFAOYSA-N 1 0 374.488 3.762 20 30 FHEDRO COc1cccc(C=Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c1O ZINC000255916977 941038267 /nfs/dbraw/zinc/03/82/67/941038267.db2.gz SUXGLAYBPFTKEI-UHFFFAOYSA-N 1 0 367.493 3.929 20 30 FHEDRO C=CCN(CC1CCCCC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659035192 941039679 /nfs/dbraw/zinc/03/96/79/941039679.db2.gz UWDZZPNLCNSISV-HXUWFJFHSA-N 1 0 357.498 3.948 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000188795321 941089329 /nfs/dbraw/zinc/08/93/29/941089329.db2.gz OMDTZPMNANXCMO-UHFFFAOYSA-N 1 0 373.500 3.618 20 30 FHEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000181370349 941138570 /nfs/dbraw/zinc/13/85/70/941138570.db2.gz YNSAIFXKASGGHK-KRWDZBQOSA-N 1 0 363.461 3.805 20 30 FHEDRO CN(C(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C1(C#N)CCCCC1 ZINC000472621371 941139600 /nfs/dbraw/zinc/13/96/00/941139600.db2.gz DAHJGEDQFBFZOO-VQTJNVASSA-N 1 0 353.510 3.672 20 30 FHEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000189522619 941159419 /nfs/dbraw/zinc/15/94/19/941159419.db2.gz ZVRRVZROWCMPEB-UHFFFAOYSA-N 1 0 358.486 3.685 20 30 FHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cccc(C#N)c1C ZINC000178575472 941279953 /nfs/dbraw/zinc/27/99/53/941279953.db2.gz CXGJIURLDQOGBB-UHFFFAOYSA-N 1 0 370.419 3.995 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659591457 941332856 /nfs/dbraw/zinc/33/28/56/941332856.db2.gz LIISSVYUSPNNAV-OALUTQOASA-N 1 0 373.497 3.731 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000181558615 941365171 /nfs/dbraw/zinc/36/51/71/941365171.db2.gz UIUOUZUWXVHMCT-ZWKOTPCHSA-N 1 0 365.477 3.995 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000181558671 941365186 /nfs/dbraw/zinc/36/51/86/941365186.db2.gz UIUOUZUWXVHMCT-MSOLQXFVSA-N 1 0 365.477 3.995 20 30 FHEDRO C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(OCC#N)cc1 ZINC000181800227 941386421 /nfs/dbraw/zinc/38/64/21/941386421.db2.gz WKAJENCAIJYFAE-KSSFIOAISA-N 1 0 359.470 3.543 20 30 FHEDRO C=CCN(C(=O)c1ccnc2ccncc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376914256 941462908 /nfs/dbraw/zinc/46/29/08/941462908.db2.gz KIMUPFWDYZSHTD-IBGZPJMESA-N 1 0 372.472 3.533 20 30 FHEDRO CN(C(=O)NCC(C)(C)CCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000377030601 941497080 /nfs/dbraw/zinc/49/70/80/941497080.db2.gz MDKMWZGDLPYUDL-UHFFFAOYSA-N 1 0 356.514 3.622 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]([NH3+])C3CC3)cc2Cl)cc1 ZINC000414961077 941529143 /nfs/dbraw/zinc/52/91/43/941529143.db2.gz IFFDDMFMXQWZCN-QGZVFWFLSA-N 1 0 370.840 3.863 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415002431 941535726 /nfs/dbraw/zinc/53/57/26/941535726.db2.gz DLRKVHOYVHBUPB-RDJZCZTQSA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415006663 941537986 /nfs/dbraw/zinc/53/79/86/941537986.db2.gz KUUGCSCNSAPXMO-HUUCEWRRSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000415013419 941540033 /nfs/dbraw/zinc/54/00/33/941540033.db2.gz UZBNAYIFAMULHS-WBVHZDCISA-N 1 0 364.449 3.942 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000415014527 941542284 /nfs/dbraw/zinc/54/22/84/941542284.db2.gz ZWMWZQOPQRKRNN-CQSZACIVSA-N 1 0 352.438 3.687 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000415028970 941550988 /nfs/dbraw/zinc/55/09/88/941550988.db2.gz ZOHAONIHKAXPOD-HNAYVOBHSA-N 1 0 364.449 3.860 20 30 FHEDRO C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H]1C[NH3+] ZINC000415032690 941556963 /nfs/dbraw/zinc/55/69/63/941556963.db2.gz GIPRXCGORKTRHE-FOIQADDNSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415034322 941557281 /nfs/dbraw/zinc/55/72/81/941557281.db2.gz HPNSQVMGJDESMV-ZBFHGGJFSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415034316 941557339 /nfs/dbraw/zinc/55/73/39/941557339.db2.gz HPNSQVMGJDESMV-GDBMZVCRSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H]1[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000377215716 941566523 /nfs/dbraw/zinc/56/65/23/941566523.db2.gz QZPYLGDWOIZNBW-YUXAGFNASA-N 1 0 373.500 3.711 20 30 FHEDRO C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000377215714 941566666 /nfs/dbraw/zinc/56/66/66/941566666.db2.gz QZPYLGDWOIZNBW-NYVOZVTQSA-N 1 0 373.500 3.711 20 30 FHEDRO CCN(C(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000549167196 941575620 /nfs/dbraw/zinc/57/56/20/941575620.db2.gz SLJUEYNCENZWBW-HZPDHXFCSA-N 1 0 353.441 3.958 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415144169 941631363 /nfs/dbraw/zinc/63/13/63/941631363.db2.gz BXKJUHPCZBWEKO-WBVHZDCISA-N 1 0 364.449 3.942 20 30 FHEDRO CN(C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000178316621 941638341 /nfs/dbraw/zinc/63/83/41/941638341.db2.gz QDUBHBWXQOBLDU-GOSISDBHSA-N 1 0 373.497 3.516 20 30 FHEDRO CC(C)(CCC[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415152283 941639794 /nfs/dbraw/zinc/63/97/94/941639794.db2.gz USEVAWWFYSWQJO-UHFFFAOYSA-N 1 0 352.438 3.990 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415160429 941642649 /nfs/dbraw/zinc/64/26/49/941642649.db2.gz LIHXVAQEOXZSQT-RHSMWYFYSA-N 1 0 360.527 3.981 20 30 FHEDRO C=CCCC[C@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)c1ccccc1 ZINC000892877073 941643216 /nfs/dbraw/zinc/64/32/16/941643216.db2.gz OBCBFAJUSRDTSU-INIZCTEOSA-N 1 0 370.522 3.767 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415161091 941644150 /nfs/dbraw/zinc/64/41/50/941644150.db2.gz MGJXFQUQTGOZQB-WBVHZDCISA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000415161085 941644182 /nfs/dbraw/zinc/64/41/82/941644182.db2.gz MGJXFQUQTGOZQB-DOTOQJQBSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415167541 941648432 /nfs/dbraw/zinc/64/84/32/941648432.db2.gz TUWPYMXFUJSPKY-LSVZVQIISA-N 1 0 358.511 3.828 20 30 FHEDRO N#CCN1CCC([NH2+][C@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892909763 941674850 /nfs/dbraw/zinc/67/48/50/941674850.db2.gz NUYJDPPMIFXIHS-QAPCUYQASA-N 1 0 351.416 3.708 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)CCCC[NH+]3CCCC3)cn2)c1 ZINC000729317786 941716414 /nfs/dbraw/zinc/71/64/14/941716414.db2.gz YAALHUKGWIYTQT-UHFFFAOYSA-N 1 0 364.449 3.950 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000472766779 941717733 /nfs/dbraw/zinc/71/77/33/941717733.db2.gz FRRONUKSOGFESJ-CQSZACIVSA-N 1 0 359.297 3.971 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000549248184 941736641 /nfs/dbraw/zinc/73/66/41/941736641.db2.gz LAORDFICPWZXHG-GOSISDBHSA-N 1 0 359.562 3.898 20 30 FHEDRO C=CCC[N@@H+](C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000467282884 941763769 /nfs/dbraw/zinc/76/37/69/941763769.db2.gz DWOIIRYLPVNEOD-UHFFFAOYSA-N 1 0 372.490 3.560 20 30 FHEDRO N#Cc1ccccc1/C=C/C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178884122 941770260 /nfs/dbraw/zinc/77/02/60/941770260.db2.gz MNDMZNZAIKEERQ-MDZDMXLPSA-N 1 0 351.494 3.686 20 30 FHEDRO C[C@@H](NC(=[NH2+])NCc1ncnn1C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000261783427 941807554 /nfs/dbraw/zinc/80/75/54/941807554.db2.gz UCYCCCBPVUBOFF-SNVBAGLBSA-N 1 0 369.300 3.505 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(C#N)ccc1Cl ZINC000513286234 941829098 /nfs/dbraw/zinc/82/90/98/941829098.db2.gz JOFKFTLZFJQOMX-MRXNPFEDSA-N 1 0 367.880 3.948 20 30 FHEDRO C[C@@H](NC(=[NH2+])NCc1nccn1C(F)F)c1ccc(Cl)cc1Cl ZINC000262021109 941839684 /nfs/dbraw/zinc/83/96/84/941839684.db2.gz XUZUFZLMMMIFGV-MRVPVSSYSA-N 1 0 362.211 3.751 20 30 FHEDRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1Cl ZINC000513335698 941859514 /nfs/dbraw/zinc/85/95/14/941859514.db2.gz JGAGARONXZUCHA-UHFFFAOYSA-N 1 0 355.869 3.933 20 30 FHEDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000893016282 941886028 /nfs/dbraw/zinc/88/60/28/941886028.db2.gz WHBXOWRSRSASRU-MAUKXSAKSA-N 1 0 366.465 3.548 20 30 FHEDRO CN1CC[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000377682932 941897345 /nfs/dbraw/zinc/89/73/45/941897345.db2.gz TUADZIXJOVOVDK-OALUTQOASA-N 1 0 361.917 3.775 20 30 FHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415559878 941906064 /nfs/dbraw/zinc/90/60/64/941906064.db2.gz FKGQLGOGMPQWJV-QGZVFWFLSA-N 1 0 353.470 3.716 20 30 FHEDRO CC(C)CCOC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182659820 941950102 /nfs/dbraw/zinc/95/01/02/941950102.db2.gz RJEWYDDPZSFQBG-OAQYLSRUSA-N 1 0 369.509 3.581 20 30 FHEDRO N#Cc1ccc(C2(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)CCCC2)cc1 ZINC001143499490 941953214 /nfs/dbraw/zinc/95/32/14/941953214.db2.gz KUBFIHNNHGLTDP-NRFANRHFSA-N 1 0 365.521 3.847 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1 ZINC000728711490 941953228 /nfs/dbraw/zinc/95/32/28/941953228.db2.gz FUYMVQGPRFQDDP-KRWDZBQOSA-N 1 0 350.466 3.653 20 30 FHEDRO C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549327184 941961933 /nfs/dbraw/zinc/96/19/33/941961933.db2.gz YOTQUNFBAAMIQD-UHFFFAOYSA-N 1 0 357.546 3.652 20 30 FHEDRO COc1ccc2c(c1)C[C@H]([NH2+]CCSCc1ccccc1C#N)CC2 ZINC000513499411 941972660 /nfs/dbraw/zinc/97/26/60/941972660.db2.gz GJGLYLWWWGBKAZ-HXUWFJFHSA-N 1 0 352.503 3.947 20 30 FHEDRO N#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1Cl ZINC000122633018 941979586 /nfs/dbraw/zinc/97/95/86/941979586.db2.gz KYESQEZWTZOERX-UHFFFAOYSA-N 1 0 353.853 3.560 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)c2)c1 ZINC000377790567 941991983 /nfs/dbraw/zinc/99/19/83/941991983.db2.gz WWRRCKKDYNIBDS-LJQANCHMSA-N 1 0 358.445 3.507 20 30 FHEDRO Cc1csc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1C#N ZINC000584537400 942002710 /nfs/dbraw/zinc/00/27/10/942002710.db2.gz CZAYYOSVKHDMBT-UHFFFAOYSA-N 1 0 354.479 3.846 20 30 FHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1 ZINC000513543802 942004688 /nfs/dbraw/zinc/00/46/88/942004688.db2.gz ZOCSBOBOEJTSPX-GDBMZVCRSA-N 1 0 371.485 3.959 20 30 FHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1 ZINC000513543803 942004932 /nfs/dbraw/zinc/00/49/32/942004932.db2.gz ZOCSBOBOEJTSPX-GOEBONIOSA-N 1 0 371.485 3.959 20 30 FHEDRO N#C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513587980 942026424 /nfs/dbraw/zinc/02/64/24/942026424.db2.gz FGOLKOSICCZMTA-IIBYNOLFSA-N 1 0 365.864 3.618 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000513668529 942064680 /nfs/dbraw/zinc/06/46/80/942064680.db2.gz ZWQKXFNUCPIRID-UHFFFAOYSA-N 1 0 357.461 3.503 20 30 FHEDRO N#CC1(COC(=O)c2cncc3[nH]ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000893115689 942065922 /nfs/dbraw/zinc/06/59/22/942065922.db2.gz PGPSLTADNNBPPJ-UHFFFAOYSA-N 1 0 374.444 3.526 20 30 FHEDRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1nc2ccccc2cc1CC#N ZINC001167944265 942122958 /nfs/dbraw/zinc/12/29/58/942122958.db2.gz KRPSJAZGJIYBKC-SFHVURJKSA-N 1 0 368.481 3.552 20 30 FHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137852 942167810 /nfs/dbraw/zinc/16/78/10/942167810.db2.gz WHPCVVJHRRHDSD-HOTGVXAUSA-N 1 0 373.460 3.730 20 30 FHEDRO N#CCCC[C@H](NC(=O)Nc1ccc(OCC[NH3+])cc1)c1ccccc1 ZINC000415944159 942176171 /nfs/dbraw/zinc/17/61/71/942176171.db2.gz HQPAZDZIRJFULG-IBGZPJMESA-N 1 0 352.438 3.581 20 30 FHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000181908979 942184992 /nfs/dbraw/zinc/18/49/92/942184992.db2.gz RJXFIWNLVWXVFD-QGZVFWFLSA-N 1 0 363.461 3.764 20 30 FHEDRO C=CCCNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000661571456 942193503 /nfs/dbraw/zinc/19/35/03/942193503.db2.gz WAJDMCHXSKONHB-UHFFFAOYSA-N 1 0 356.297 3.833 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC(F)F)c2ccccc2)CC1 ZINC000420795547 942202234 /nfs/dbraw/zinc/20/22/34/942202234.db2.gz SSQQSFXSZXMKBM-KRWDZBQOSA-N 1 0 351.441 3.723 20 30 FHEDRO C[S@](=O)C1(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CCC1 ZINC000280582360 942207050 /nfs/dbraw/zinc/20/70/50/942207050.db2.gz MXTUSRCBAJFNMI-VWLOTQADSA-N 1 0 357.479 3.507 20 30 FHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000128391422 942213340 /nfs/dbraw/zinc/21/33/40/942213340.db2.gz JMGYRTVXOCCDBY-INIZCTEOSA-N 1 0 364.470 3.836 20 30 FHEDRO CCCC[N@H+](C)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513699491 942213361 /nfs/dbraw/zinc/21/33/61/942213361.db2.gz OBAGDOBDSJOPKL-UHFFFAOYSA-N 1 0 365.477 3.599 20 30 FHEDRO COCCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000419398410 942245670 /nfs/dbraw/zinc/24/56/70/942245670.db2.gz ZSSZGKZRCGVJHM-UHFFFAOYSA-N 1 0 363.527 3.576 20 30 FHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(CN2CCOCC2)cc1 ZINC000420901691 942245644 /nfs/dbraw/zinc/24/56/44/942245644.db2.gz KRNZWOBFJFMRIU-UHFFFAOYSA-N 1 0 363.505 3.803 20 30 FHEDRO CSc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000500992344 942250930 /nfs/dbraw/zinc/25/09/30/942250930.db2.gz BYRQYVHZXFRNCC-BLLLJJGKSA-N 1 0 357.504 3.798 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccc(C#N)s2)CC1 ZINC000420922121 942255303 /nfs/dbraw/zinc/25/53/03/942255303.db2.gz VPOKCCXCHRBLLS-HNNXBMFYSA-N 1 0 368.506 3.645 20 30 FHEDRO C[C@@]1(CNc2ccc(C#N)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000312013042 942258470 /nfs/dbraw/zinc/25/84/70/942258470.db2.gz SHJIKHWQNTYKKI-FQEVSTJZSA-N 1 0 350.422 3.791 20 30 FHEDRO COc1ccc(F)cc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502191928 942278159 /nfs/dbraw/zinc/27/81/59/942278159.db2.gz AQOLYEVFVGUTFZ-UHFFFAOYSA-N 1 0 367.424 3.557 20 30 FHEDRO CCN(CC)c1ncc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000513707426 942317864 /nfs/dbraw/zinc/31/78/64/942317864.db2.gz CRAWNLVHDDDQCS-UHFFFAOYSA-N 1 0 370.522 3.904 20 30 FHEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000421098957 942342057 /nfs/dbraw/zinc/34/20/57/942342057.db2.gz ZROZHHLJCXSKBF-SFHVURJKSA-N 1 0 364.449 3.908 20 30 FHEDRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCSCC#N ZINC000378181607 942359061 /nfs/dbraw/zinc/35/90/61/942359061.db2.gz CYIMTYNAHGSCQH-MQVJKMGUSA-N 1 0 353.532 3.543 20 30 FHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(Cl)c1 ZINC000501227301 942360669 /nfs/dbraw/zinc/36/06/69/942360669.db2.gz MILGQWGLLWYDEI-UHFFFAOYSA-N 1 0 360.889 3.988 20 30 FHEDRO CC(C)(C)c1ccncc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000414501227 942365363 /nfs/dbraw/zinc/36/53/63/942365363.db2.gz RQMQHWLMCVJYHI-UHFFFAOYSA-N 1 0 374.492 3.841 20 30 FHEDRO COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(C#N)cc2OC)c1 ZINC000501265693 942369822 /nfs/dbraw/zinc/36/98/22/942369822.db2.gz HJWRGBHVCVGGCF-LJQANCHMSA-N 1 0 352.434 3.921 20 30 FHEDRO N#CCCn1cc(C[NH2+]C2CCC(C(F)F)CC2)c(-c2ccncc2)n1 ZINC000419784250 942372728 /nfs/dbraw/zinc/37/27/28/942372728.db2.gz POSNRXFMONUYMT-UHFFFAOYSA-N 1 0 359.424 3.772 20 30 FHEDRO C[NH+](C)[C@H](CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000416169487 942436871 /nfs/dbraw/zinc/43/68/71/942436871.db2.gz FFWBNBZDSWDSQZ-FDFHNCONSA-N 1 0 361.489 3.978 20 30 FHEDRO N#CCCCn1cc(C(=O)NCCC[NH2+]C2CCCCC2)c2ccccc21 ZINC000419902319 942441617 /nfs/dbraw/zinc/44/16/17/942441617.db2.gz VELBUGAKAUULRI-UHFFFAOYSA-N 1 0 366.509 3.987 20 30 FHEDRO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000047778071 942453104 /nfs/dbraw/zinc/45/31/04/942453104.db2.gz JBWLOPZKWIGTKV-APWZRJJASA-N 1 0 366.465 3.739 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000502442087 942455144 /nfs/dbraw/zinc/45/51/44/942455144.db2.gz OMFCIUSSDBCUMF-CQSZACIVSA-N 1 0 366.412 3.546 20 30 FHEDRO N#Cc1ccc(C2=CCN(CC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000502501108 942479908 /nfs/dbraw/zinc/47/99/08/942479908.db2.gz OIPXEKANLAZUKX-UHFFFAOYSA-N 1 0 351.837 3.939 20 30 FHEDRO CC(C)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+]1CCC(C)CC1 ZINC000505342896 942480422 /nfs/dbraw/zinc/48/04/22/942480422.db2.gz IQAPECYZTLGWMB-HXUWFJFHSA-N 1 0 371.500 3.602 20 30 FHEDRO CCn1nccc1C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000378265337 942489293 /nfs/dbraw/zinc/48/92/93/942489293.db2.gz NHBGYXPAXSMLFZ-UHFFFAOYSA-N 1 0 352.482 3.965 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000366874027 942492058 /nfs/dbraw/zinc/49/20/58/942492058.db2.gz HEVMRQMCCDRXRF-UHFFFAOYSA-N 1 0 357.841 3.508 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)cc1F ZINC000421342814 942495617 /nfs/dbraw/zinc/49/56/17/942495617.db2.gz OOAHRNLIHYXPLI-AWEZNQCLSA-N 1 0 366.358 3.657 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502565716 942547073 /nfs/dbraw/zinc/54/70/73/942547073.db2.gz NSSKTIGINBNARU-NUEKZKHPSA-N 1 0 372.481 3.791 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc1F ZINC000421397525 942547762 /nfs/dbraw/zinc/54/77/62/942547762.db2.gz RXVMFFABOHGASV-NHCUHLMSSA-N 1 0 356.416 3.700 20 30 FHEDRO N#Cc1csc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000378299754 942549805 /nfs/dbraw/zinc/54/98/05/942549805.db2.gz RILJHWMPFLJTHG-UHFFFAOYSA-N 1 0 365.502 3.748 20 30 FHEDRO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000120222922 942573959 /nfs/dbraw/zinc/57/39/59/942573959.db2.gz KFORZBYFDMIFMZ-HXUWFJFHSA-N 1 0 352.478 3.793 20 30 FHEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000183568606 942591207 /nfs/dbraw/zinc/59/12/07/942591207.db2.gz MNZYBKPKVYWQMC-OAHLLOKOSA-N 1 0 368.458 3.737 20 30 FHEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000472966206 942606744 /nfs/dbraw/zinc/60/67/44/942606744.db2.gz ALPIECDERUOKGR-UHFFFAOYSA-N 1 0 372.538 3.501 20 30 FHEDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)CCc3ccc(C#N)cc3)sc2C1 ZINC000425074400 942634363 /nfs/dbraw/zinc/63/43/63/942634363.db2.gz BUKJQESTINTAEQ-UHFFFAOYSA-N 1 0 368.506 3.743 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000416305639 942642101 /nfs/dbraw/zinc/64/21/01/942642101.db2.gz BRFXWXIKKUONNK-UHFFFAOYSA-N 1 0 369.852 3.828 20 30 FHEDRO C=CCCO[C@@H](C)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000501764225 942665798 /nfs/dbraw/zinc/66/57/98/942665798.db2.gz TXMLGPGXMJPNQE-PXNSSMCTSA-N 1 0 358.526 3.557 20 30 FHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1 ZINC000509540965 942687933 /nfs/dbraw/zinc/68/79/33/942687933.db2.gz KIQSYHLNSHUOBH-QGZVFWFLSA-N 1 0 359.901 3.796 20 30 FHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000434473604 942692092 /nfs/dbraw/zinc/69/20/92/942692092.db2.gz HCRBTXWKOSNKDY-BBRMVZONSA-N 1 0 361.429 3.737 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378392704 942710698 /nfs/dbraw/zinc/71/06/98/942710698.db2.gz FPFGMSTYJOLJMG-UHFFFAOYSA-N 1 0 366.852 3.725 20 30 FHEDRO COc1cc(C[NH+]2CCC3(C[C@H]3c3nnc(C(C)C)o3)CC2)ccc1C#N ZINC000367029636 942717436 /nfs/dbraw/zinc/71/74/36/942717436.db2.gz KNGIACISKMPMJK-KRWDZBQOSA-N 1 0 366.465 3.843 20 30 FHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000502753659 942718764 /nfs/dbraw/zinc/71/87/64/942718764.db2.gz OLKXKVXAQKWMMU-IBGZPJMESA-N 1 0 360.417 3.990 20 30 FHEDRO N#Cc1ccc(N2CC[C@@H](N3CCC(F)(c4ccccc4)CC3)C2=O)cc1 ZINC000434498298 942724330 /nfs/dbraw/zinc/72/43/30/942724330.db2.gz SICJUOSNPFXSKY-HXUWFJFHSA-N 1 0 363.436 3.624 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000378425160 942750136 /nfs/dbraw/zinc/75/01/36/942750136.db2.gz SRMUKWGAOREJQB-LEWJYISDSA-N 1 0 374.488 3.651 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000378425178 942750260 /nfs/dbraw/zinc/75/02/60/942750260.db2.gz SRMUKWGAOREJQB-RTWAWAEBSA-N 1 0 374.488 3.651 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(Nc3c(C#N)nnc4ccccc43)c2)CC1 ZINC000502782079 942755620 /nfs/dbraw/zinc/75/56/20/942755620.db2.gz VNALPYOIRBCSTQ-UHFFFAOYSA-N 1 0 372.476 3.775 20 30 FHEDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000378445478 942776515 /nfs/dbraw/zinc/77/65/15/942776515.db2.gz SPUPPMRNTXWPCU-RBUKOAKNSA-N 1 0 362.433 3.629 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccccc3C(F)(F)F)CC2)nc1 ZINC000378452573 942786060 /nfs/dbraw/zinc/78/60/60/942786060.db2.gz MDCHSTSITRXXHN-UHFFFAOYSA-N 1 0 360.383 3.731 20 30 FHEDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000378456378 942789382 /nfs/dbraw/zinc/78/93/82/942789382.db2.gz SXNHAHAPBVNXPS-UGNRZPKXSA-N 1 0 352.482 3.564 20 30 FHEDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)cc1 ZINC000378466124 942801784 /nfs/dbraw/zinc/80/17/84/942801784.db2.gz ZFXCDCJXGQCWHW-WCIQWLHISA-N 1 0 355.482 3.755 20 30 FHEDRO Cc1cccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000378472696 942802954 /nfs/dbraw/zinc/80/29/54/942802954.db2.gz HKFZPDIAQVFMBP-UHFFFAOYSA-N 1 0 361.489 3.602 20 30 FHEDRO Cn1cc(C[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000378480297 942809940 /nfs/dbraw/zinc/80/99/40/942809940.db2.gz FJJOTGHHLRISFV-UHFFFAOYSA-N 1 0 368.444 3.639 20 30 FHEDRO Cc1ccccc1[C@@]1(F)CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000502907588 942832301 /nfs/dbraw/zinc/83/23/01/942832301.db2.gz OYQVGHUIOSCCDD-OAQYLSRUSA-N 1 0 351.425 3.766 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000434662638 942846506 /nfs/dbraw/zinc/84/65/06/942846506.db2.gz MWJGEWUHMGWIRF-UHFFFAOYSA-N 1 0 355.388 3.830 20 30 FHEDRO C[NH+]=C(NCc1oc2ccccc2c1C)N1CCC(OCC2CC2)CC1 ZINC000261849421 942849024 /nfs/dbraw/zinc/84/90/24/942849024.db2.gz XUIWABCGYUDDMX-UHFFFAOYSA-N 1 0 355.482 3.708 20 30 FHEDRO Cc1ccccc1[C@@]1(F)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000502945125 942862455 /nfs/dbraw/zinc/86/24/55/942862455.db2.gz VPVZBYROWIDHSR-IFMALSPDSA-N 1 0 363.436 3.543 20 30 FHEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000466927077 942863346 /nfs/dbraw/zinc/86/33/46/942863346.db2.gz OJVFPLKSXXHBPJ-SJORKVTESA-N 1 0 369.534 3.916 20 30 FHEDRO N#CCC1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000430050678 942877514 /nfs/dbraw/zinc/87/75/14/942877514.db2.gz BWOAMXQDTITEMB-UHFFFAOYSA-N 1 0 357.461 3.777 20 30 FHEDRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000312200661 942903263 /nfs/dbraw/zinc/90/32/63/942903263.db2.gz FCUGUPTUTCYXHU-RBUKOAKNSA-N 1 0 373.497 3.905 20 30 FHEDRO C=CCN1C(=O)c2ccccc2N[C@@H]1c1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000378645027 942992329 /nfs/dbraw/zinc/99/23/29/942992329.db2.gz ZJJSNPWCJZXRDP-SFHVURJKSA-N 1 0 368.506 3.662 20 30 FHEDRO N#Cc1ccsc1N1CC[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)C1=O ZINC000434878057 943013218 /nfs/dbraw/zinc/01/32/18/943013218.db2.gz BTYCZEDPDCRXCO-GOSISDBHSA-N 1 0 365.502 3.827 20 30 FHEDRO CC[C@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505558107 943027599 /nfs/dbraw/zinc/02/75/99/943027599.db2.gz OZRJAUOGLKZXLG-SFTDATJTSA-N 1 0 368.525 3.744 20 30 FHEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000434902160 943038821 /nfs/dbraw/zinc/03/88/21/943038821.db2.gz AXYLUFCCVVRVOZ-HSZRJFAPSA-N 1 0 361.489 3.519 20 30 FHEDRO COC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000271833382 943057608 /nfs/dbraw/zinc/05/76/08/943057608.db2.gz FIHVEYYGOCLGSX-OAHLLOKOSA-N 1 0 353.422 3.661 20 30 FHEDRO N#Cc1c2c(cnc1N1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)CCC2 ZINC000425250167 943061040 /nfs/dbraw/zinc/06/10/40/943061040.db2.gz VPQMWLPNDIKPLJ-UHFFFAOYSA-N 1 0 372.516 3.934 20 30 FHEDRO CC[C@@H]([NH2+][C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(C#N)cc1 ZINC000365823566 943063410 /nfs/dbraw/zinc/06/34/10/943063410.db2.gz MEPAEOHPDMMLEF-NHCUHLMSSA-N 1 0 371.488 3.796 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000514529471 943086683 /nfs/dbraw/zinc/08/66/83/943086683.db2.gz FABIBDPVOQMECK-QUCCMNQESA-N 1 0 356.853 3.788 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000514529470 943086987 /nfs/dbraw/zinc/08/69/87/943086987.db2.gz FABIBDPVOQMECK-ICSRJNTNSA-N 1 0 356.853 3.788 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435020156 943100673 /nfs/dbraw/zinc/10/06/73/943100673.db2.gz NQFMLDGUZKPQCA-ICSRJNTNSA-N 1 0 365.521 3.703 20 30 FHEDRO CC(C)[NH+](CCN(C)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000503304261 943112044 /nfs/dbraw/zinc/11/20/44/943112044.db2.gz VKGIJWHQTPAEMW-UHFFFAOYSA-N 1 0 355.442 3.570 20 30 FHEDRO N#Cc1ccsc1N1CC[C@@H](N2CC[C@@H](c3ccc(Cl)cc3)C2)C1=O ZINC000435048934 943120038 /nfs/dbraw/zinc/12/00/38/943120038.db2.gz KXOMXFFDXIRKJE-NVXWUHKLSA-N 1 0 371.893 3.868 20 30 FHEDRO C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505596234 943133422 /nfs/dbraw/zinc/13/34/22/943133422.db2.gz KZUCBGMQDXTSET-QRWLVFNGSA-N 1 0 367.468 3.783 20 30 FHEDRO CC1(C#N)CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000272575837 943180312 /nfs/dbraw/zinc/18/03/12/943180312.db2.gz IZWNGDVCCLNQOA-UHFFFAOYSA-N 1 0 354.498 3.508 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(F)c(F)c1F)C(C)C ZINC000503440660 943180705 /nfs/dbraw/zinc/18/07/05/943180705.db2.gz XWHHVDPLBHRBCL-HNNXBMFYSA-N 1 0 355.404 3.924 20 30 FHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C)(C#N)CC3)sc2C1 ZINC000272585477 943181714 /nfs/dbraw/zinc/18/17/14/943181714.db2.gz ORHCAKAFBFORNI-AWEZNQCLSA-N 1 0 370.522 3.699 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000503435859 943183073 /nfs/dbraw/zinc/18/30/73/943183073.db2.gz IKIUYXGOAXZWPP-GOSISDBHSA-N 1 0 360.458 3.723 20 30 FHEDRO CCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CCCCO1 ZINC000435138070 943190916 /nfs/dbraw/zinc/19/09/16/943190916.db2.gz PUIZRRZRHJFSHD-FQEVSTJZSA-N 1 0 367.497 3.640 20 30 FHEDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000503457427 943191614 /nfs/dbraw/zinc/19/16/14/943191614.db2.gz FKVHBDFSQPFBAJ-BMGDILEWSA-N 1 0 363.502 3.725 20 30 FHEDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000503457432 943191829 /nfs/dbraw/zinc/19/18/29/943191829.db2.gz FKVHBDFSQPFBAJ-JCGIZDLHSA-N 1 0 363.502 3.725 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000435158352 943199827 /nfs/dbraw/zinc/19/98/27/943199827.db2.gz JTTMNHBQEWEFSY-BEFAXECRSA-N 1 0 366.440 3.729 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000435158353 943199947 /nfs/dbraw/zinc/19/99/47/943199947.db2.gz JTTMNHBQEWEFSY-DNVCBOLYSA-N 1 0 366.440 3.729 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000185682817 943205254 /nfs/dbraw/zinc/20/52/54/943205254.db2.gz JLFYAZGTWLZYDP-GCJKJVERSA-N 1 0 350.510 3.817 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503517232 943229922 /nfs/dbraw/zinc/22/99/22/943229922.db2.gz PSYHERSKMQUCAT-TZMCWYRMSA-N 1 0 356.438 3.653 20 30 FHEDRO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000503557471 943259014 /nfs/dbraw/zinc/25/90/14/943259014.db2.gz JYTSSUXQEGHPLE-AUUYWEPGSA-N 1 0 351.475 3.736 20 30 FHEDRO C=CCCCC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435300959 943320698 /nfs/dbraw/zinc/32/06/98/943320698.db2.gz WYFRFYKGPPEZOY-LJQANCHMSA-N 1 0 352.482 3.933 20 30 FHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc21 ZINC000435365314 943360035 /nfs/dbraw/zinc/36/00/35/943360035.db2.gz VLVDUTWIAGWSAU-UHFFFAOYSA-N 1 0 372.472 3.745 20 30 FHEDRO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425366050 943376020 /nfs/dbraw/zinc/37/60/20/943376020.db2.gz OHHFDLNGKZAGCA-HOTGVXAUSA-N 1 0 352.434 3.692 20 30 FHEDRO C=CCc1cc(C[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc(OC)c1O ZINC000425375171 943398719 /nfs/dbraw/zinc/39/87/19/943398719.db2.gz YTULURSUWUGCQA-UHFFFAOYSA-N 1 0 374.868 3.819 20 30 FHEDRO C=CCOc1ccc(CN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423105905 943401931 /nfs/dbraw/zinc/40/19/31/943401931.db2.gz NREQQFBGTRQUMZ-YADHBBJMSA-N 1 0 352.478 3.843 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc4ccccc4c3)C2=O)cc1 ZINC000503921520 943409288 /nfs/dbraw/zinc/40/92/88/943409288.db2.gz QZMXRUZDAGXBHH-JOCHJYFZSA-N 1 0 355.441 3.997 20 30 FHEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000435449149 943410469 /nfs/dbraw/zinc/41/04/69/943410469.db2.gz OKEXVADKTUOJDD-HXUWFJFHSA-N 1 0 363.461 3.603 20 30 FHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431927595 943410685 /nfs/dbraw/zinc/41/06/85/943410685.db2.gz ZCAPMTJNTJWTQQ-MOPGFXCFSA-N 1 0 356.514 3.841 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000435453946 943413521 /nfs/dbraw/zinc/41/35/21/943413521.db2.gz ODUVDRYZLFYDSU-OAHLLOKOSA-N 1 0 351.450 3.853 20 30 FHEDRO C=C(C)[C@H]([NH2+]CCc1c(C)nc2ccccn2c1=O)c1ccc(F)c(F)c1 ZINC000514971572 943424408 /nfs/dbraw/zinc/42/44/08/943424408.db2.gz AGFNOGDVKBRQSJ-FQEVSTJZSA-N 1 0 369.415 3.731 20 30 FHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431930548 943449458 /nfs/dbraw/zinc/44/94/58/943449458.db2.gz HMQRPICISWCFHU-PMACEKPBSA-N 1 0 356.514 3.985 20 30 FHEDRO C=CCOCCC(=O)N1CCCC2(C[NH+](C[C@H](CC)CCCC)C2)C1 ZINC001269982095 943474104 /nfs/dbraw/zinc/47/41/04/943474104.db2.gz GGFSFOKIMHTIQI-LJQANCHMSA-N 1 0 350.547 3.720 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000417355338 943536638 /nfs/dbraw/zinc/53/66/38/943536638.db2.gz ATSDXJLVJZMWJM-IPMKNSEASA-N 1 0 365.437 3.814 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000435675447 943555178 /nfs/dbraw/zinc/55/51/78/943555178.db2.gz VWQIQDKGIWRILQ-FSSWDIPSSA-N 1 0 364.489 3.615 20 30 FHEDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417395727 943571031 /nfs/dbraw/zinc/57/10/31/943571031.db2.gz WOMBQCBNXBZSSH-HNAYVOBHSA-N 1 0 363.461 3.951 20 30 FHEDRO C[C@H]1C[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000504534824 943650831 /nfs/dbraw/zinc/65/08/31/943650831.db2.gz UXZHDVAKNRVJQB-RUYXUALKSA-N 1 0 353.510 3.733 20 30 FHEDRO COc1ccc(C[N@@H+](Cc2ccc(C#N)c(OC)c2)CC2CC2)c(OC)c1 ZINC000504588500 943699601 /nfs/dbraw/zinc/69/96/01/943699601.db2.gz CQDQZUOVSMZURP-UHFFFAOYSA-N 1 0 366.461 3.996 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000424082986 943721055 /nfs/dbraw/zinc/72/10/55/943721055.db2.gz MMTIJKXXRHIEOT-LBPRGKRZSA-N 1 0 368.384 3.789 20 30 FHEDRO CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424085606 943723167 /nfs/dbraw/zinc/72/31/67/943723167.db2.gz ZGSKUHNLMZMEGE-KRWDZBQOSA-N 1 0 353.422 3.837 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000424111051 943736469 /nfs/dbraw/zinc/73/64/69/943736469.db2.gz FLJGSSRNKJIGAK-OAHLLOKOSA-N 1 0 372.469 3.710 20 30 FHEDRO CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000424110973 943736945 /nfs/dbraw/zinc/73/69/45/943736945.db2.gz DZIDCVHNEWFSAM-HOTGVXAUSA-N 1 0 355.404 3.930 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000424113225 943737858 /nfs/dbraw/zinc/73/78/58/943737858.db2.gz MNJPUPHLXSBBSN-RBUKOAKNSA-N 1 0 361.917 3.969 20 30 FHEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424121638 943742756 /nfs/dbraw/zinc/74/27/56/943742756.db2.gz ILXDGTZJQFVXAG-CVEARBPZSA-N 1 0 351.878 3.573 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000424126517 943745067 /nfs/dbraw/zinc/74/50/67/943745067.db2.gz PEBRGWJXAUCHMW-QZTJIDSGSA-N 1 0 359.832 3.706 20 30 FHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458850955 943753949 /nfs/dbraw/zinc/75/39/49/943753949.db2.gz UVAINVAJIZOYKD-HOJAQTOUSA-N 1 0 354.498 3.690 20 30 FHEDRO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCCC[C@H]1C ZINC000435784539 943769694 /nfs/dbraw/zinc/76/96/94/943769694.db2.gz FRQUSGHZXPRUPP-MSOLQXFVSA-N 1 0 366.509 3.938 20 30 FHEDRO C=CCn1cc(C[NH2+][C@@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)nn1 ZINC000424293383 943822501 /nfs/dbraw/zinc/82/25/01/943822501.db2.gz IOVUIWFPGAIELW-NWDGAFQWSA-N 1 0 355.269 3.717 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000515392120 943836169 /nfs/dbraw/zinc/83/61/69/943836169.db2.gz MSHWPVKWLCVLQJ-UHFFFAOYSA-N 1 0 358.401 3.670 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425425161 943875023 /nfs/dbraw/zinc/87/50/23/943875023.db2.gz OIMYIGVGZDUBGF-FGTMMUONSA-N 1 0 356.514 3.629 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000425423887 943882165 /nfs/dbraw/zinc/88/21/65/943882165.db2.gz MNBUVWIRUREYCI-SFHVURJKSA-N 1 0 356.514 3.773 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000425424821 943886569 /nfs/dbraw/zinc/88/65/69/943886569.db2.gz NVEQKRURDIAAJU-MSOLQXFVSA-N 1 0 356.514 3.915 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425429216 943890075 /nfs/dbraw/zinc/89/00/75/943890075.db2.gz ZIPXLQPFESNSJP-LSTHTHJFSA-N 1 0 354.498 3.552 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCS[C@@H]3CCCC[C@@H]32)c1C ZINC000437534737 943896859 /nfs/dbraw/zinc/89/68/59/943896859.db2.gz IYYDVRHZDAPNFN-VQTJNVASSA-N 1 0 371.550 3.910 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424418834 943897461 /nfs/dbraw/zinc/89/74/61/943897461.db2.gz NQBUAUUAUITONR-QZTJIDSGSA-N 1 0 350.422 3.742 20 30 FHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000504921395 943899863 /nfs/dbraw/zinc/89/98/63/943899863.db2.gz WWGOCPMCHPIBCU-CQSZACIVSA-N 1 0 368.868 3.780 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)cc2)C1 ZINC000425428471 943902903 /nfs/dbraw/zinc/90/29/03/943902903.db2.gz VWPPCKUQHOQEJN-KJNZLNQQSA-N 1 0 368.525 3.656 20 30 FHEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000437564515 943923053 /nfs/dbraw/zinc/92/30/53/943923053.db2.gz BYRCWKLPZRNJCI-UHFFFAOYSA-N 1 0 353.384 3.828 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000425446317 943943717 /nfs/dbraw/zinc/94/37/17/943943717.db2.gz PYAIZPJVGAVRMS-SFHVURJKSA-N 1 0 356.514 3.917 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000505001160 943953935 /nfs/dbraw/zinc/95/39/35/943953935.db2.gz PDRRTPZDYQORPY-UHFFFAOYSA-N 1 0 352.482 3.796 20 30 FHEDRO C[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000511640771 943960270 /nfs/dbraw/zinc/96/02/70/943960270.db2.gz OTPBSINZMWIDEC-MRXNPFEDSA-N 1 0 367.468 3.612 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000437605157 943962535 /nfs/dbraw/zinc/96/25/35/943962535.db2.gz RIVAWPNEYCHAAO-XMSQKQJNSA-N 1 0 358.526 3.764 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CC[C@@H]([NH2+]C)C1)c1ccc(C(F)(F)F)cc1 ZINC000417930235 943977282 /nfs/dbraw/zinc/97/72/82/943977282.db2.gz JQSXWAPNCNDBGZ-CVEARBPZSA-N 1 0 355.404 3.716 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000417943829 943987015 /nfs/dbraw/zinc/98/70/15/943987015.db2.gz VKBDKFNIJBFQNF-CJNGLKHVSA-N 1 0 355.404 3.716 20 30 FHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425468453 944035241 /nfs/dbraw/zinc/03/52/41/944035241.db2.gz DRJNQIXQFVSIPX-XMTFNYHQSA-N 1 0 356.514 3.627 20 30 FHEDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417984249 944036879 /nfs/dbraw/zinc/03/68/79/944036879.db2.gz CYQOKLBBXCMYFN-YWZLYKJASA-N 1 0 350.466 3.569 20 30 FHEDRO C=CCC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000424664488 944041742 /nfs/dbraw/zinc/04/17/42/944041742.db2.gz LYBTYDRPECXJCS-SEJPIABJSA-N 1 0 368.521 3.671 20 30 FHEDRO C[C@H](NC(=O)NCCC[NH2+]C1CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417988775 944045039 /nfs/dbraw/zinc/04/50/39/944045039.db2.gz ISVGYZREQRHVIN-INIZCTEOSA-N 1 0 362.477 3.728 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000417989188 944045311 /nfs/dbraw/zinc/04/53/11/944045311.db2.gz QIOAYCIQSNNQBJ-XLIONFOSSA-N 1 0 362.477 3.542 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000436135010 944047536 /nfs/dbraw/zinc/04/75/36/944047536.db2.gz FAQSNWDKZZGYMD-IYBDPMFKSA-N 1 0 365.477 3.868 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001316 944049425 /nfs/dbraw/zinc/04/94/25/944049425.db2.gz WWZFHBHYDGIMCJ-WHSLLNHNSA-N 1 0 362.477 3.726 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000436142179 944052203 /nfs/dbraw/zinc/05/22/03/944052203.db2.gz PUJZWGYCLCGHEM-OAHLLOKOSA-N 1 0 351.450 3.764 20 30 FHEDRO C[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417994683 944052982 /nfs/dbraw/zinc/05/29/82/944052982.db2.gz PEAVVTBGBKLZJG-MRXNPFEDSA-N 1 0 364.493 3.913 20 30 FHEDRO N#CCSc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000364206389 944053861 /nfs/dbraw/zinc/05/38/61/944053861.db2.gz HVDPSIBISOHLOF-KRWDZBQOSA-N 1 0 357.523 3.640 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000437714828 944060709 /nfs/dbraw/zinc/06/07/09/944060709.db2.gz IZULXFMULSNWLD-WMLDXEAASA-N 1 0 368.308 3.799 20 30 FHEDRO CC(C)([NH3+])CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414912484 944069006 /nfs/dbraw/zinc/06/90/06/944069006.db2.gz UVFRFCBRKZCFDC-MRXNPFEDSA-N 1 0 356.857 3.854 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000660335168 944090377 /nfs/dbraw/zinc/09/03/77/944090377.db2.gz XVVNIIPHSFPBMW-HXUWFJFHSA-N 1 0 355.526 3.691 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000425487954 944092677 /nfs/dbraw/zinc/09/26/77/944092677.db2.gz ZQCMANVGDYIXMB-LZJOCLMNSA-N 1 0 356.514 3.771 20 30 FHEDRO C[NH+](C)C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000500102690 944099319 /nfs/dbraw/zinc/09/93/19/944099319.db2.gz OTLGJEWWBFKLQZ-WOJBJXKFSA-N 1 0 368.456 3.773 20 30 FHEDRO CC(C)CCN(CCC#N)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000505213718 944141504 /nfs/dbraw/zinc/14/15/04/944141504.db2.gz QKGOUMMVSFKKRZ-UHFFFAOYSA-N 1 0 359.539 3.637 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000436299613 944183159 /nfs/dbraw/zinc/18/31/59/944183159.db2.gz KHMSCVWGYYGQHV-NJAFHUGGSA-N 1 0 350.300 3.877 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000436307431 944190249 /nfs/dbraw/zinc/19/02/49/944190249.db2.gz NOABMAHMBJOUSY-MMOPVJDHSA-N 1 0 355.482 3.631 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000436312817 944192117 /nfs/dbraw/zinc/19/21/17/944192117.db2.gz WGXKKRWQPOPJLN-BJJXKVORSA-N 1 0 371.262 3.923 20 30 FHEDRO Cc1c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(=O)n(-c2ccccc2)n1C ZINC000418144139 944196813 /nfs/dbraw/zinc/19/68/13/944196813.db2.gz JRGZODBZKPEEMN-JOCHJYFZSA-N 1 0 372.472 3.523 20 30 FHEDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](CO)c3ccccc32)cc1OCCCC#N ZINC000364272829 944196823 /nfs/dbraw/zinc/19/68/23/944196823.db2.gz SDHSXOAAULBNES-FXAWDEMLSA-N 1 0 366.461 3.688 20 30 FHEDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H]1c1ccc(F)cc1F ZINC000425515529 944196917 /nfs/dbraw/zinc/19/69/17/944196917.db2.gz XIVREPJJOHVLOB-FASAQXTFSA-N 1 0 370.399 3.786 20 30 FHEDRO N#C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000505791491 944205633 /nfs/dbraw/zinc/20/56/33/944205633.db2.gz VUJSYKQKIFUMIX-HXUWFJFHSA-N 1 0 367.880 3.933 20 30 FHEDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000418152183 944205737 /nfs/dbraw/zinc/20/57/37/944205737.db2.gz YEYCUBFQMZUIIU-NRFANRHFSA-N 1 0 357.461 3.923 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)cc2Br)CC1 ZINC000517324508 944206773 /nfs/dbraw/zinc/20/67/73/944206773.db2.gz WLUYMAVJOSXBNR-UHFFFAOYSA-N 1 0 366.303 3.920 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000418150108 944211840 /nfs/dbraw/zinc/21/18/40/944211840.db2.gz VZMQKTGWSXIGAU-LJQANCHMSA-N 1 0 372.428 3.844 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000517323872 944211950 /nfs/dbraw/zinc/21/19/50/944211950.db2.gz GGNRJQVYWCVLOI-UHFFFAOYSA-N 1 0 354.498 3.624 20 30 FHEDRO N#Cc1cc(F)c(NC2CC[NH+](C3CCC3)CC2)cc1Br ZINC000584540199 944221290 /nfs/dbraw/zinc/22/12/90/944221290.db2.gz QLXLBXZGHDGCJY-UHFFFAOYSA-N 1 0 352.251 3.889 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000425529716 944263326 /nfs/dbraw/zinc/26/33/26/944263326.db2.gz CPCOJABRBLBROF-HNAYVOBHSA-N 1 0 358.869 3.782 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000364312322 944296200 /nfs/dbraw/zinc/29/62/00/944296200.db2.gz XFEUOLGYFSXDDS-KVSKMBFKSA-N 1 0 351.874 3.807 20 30 FHEDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425540870 944298786 /nfs/dbraw/zinc/29/87/86/944298786.db2.gz VSVJEWWYYKNLIO-OAHLLOKOSA-N 1 0 366.421 3.797 20 30 FHEDRO C=CCOc1cccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000506479256 944311172 /nfs/dbraw/zinc/31/11/72/944311172.db2.gz DKABXBQDHQNDGL-UHFFFAOYSA-N 1 0 368.452 3.785 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000438073010 944314944 /nfs/dbraw/zinc/31/49/44/944314944.db2.gz NJDLCLRVZJPUGD-WOJBJXKFSA-N 1 0 365.562 3.511 20 30 FHEDRO COc1cc2cc(C#N)c(NCCC[N@@H+]3CCCC[C@@H]3C)nc2cc1OC ZINC001167751333 944341186 /nfs/dbraw/zinc/34/11/86/944341186.db2.gz JRBWXUVFNZJZOI-HNNXBMFYSA-N 1 0 368.481 3.800 20 30 FHEDRO C[NH+](C)CCCOc1ccc(CNc2nc3c(cc2C#N)CCCC3)cc1 ZINC000500251549 944343151 /nfs/dbraw/zinc/34/31/51/944343151.db2.gz GFMKCBVWGRRATB-UHFFFAOYSA-N 1 0 364.493 3.775 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418285961 944345230 /nfs/dbraw/zinc/34/52/30/944345230.db2.gz QERZTAXJCSMDMZ-UHFFFAOYSA-N 1 0 361.534 3.603 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc(F)c(Oc2ccc(C#N)cc2)n1 ZINC001167752217 944354054 /nfs/dbraw/zinc/35/40/54/944354054.db2.gz RSWIUDYVJCFXLG-HNNXBMFYSA-N 1 0 369.444 3.956 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000517543381 944373082 /nfs/dbraw/zinc/37/30/82/944373082.db2.gz AFJVCCRYVBMITJ-LAUBAEHRSA-N 1 0 362.477 3.535 20 30 FHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000436504700 944375225 /nfs/dbraw/zinc/37/52/25/944375225.db2.gz NUMDJBFKAKCOAR-CVEARBPZSA-N 1 0 360.527 3.934 20 30 FHEDRO N#CCCCCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000517600765 944434892 /nfs/dbraw/zinc/43/48/92/944434892.db2.gz XDWZESWFMNUKSB-SFHVURJKSA-N 1 0 362.905 3.688 20 30 FHEDRO Cc1ccnc2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc12 ZINC000506202048 944470530 /nfs/dbraw/zinc/47/05/30/944470530.db2.gz HBAXKVMKRATLOK-UHFFFAOYSA-N 1 0 372.472 3.619 20 30 FHEDRO C=CCCO[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001125937463 944473571 /nfs/dbraw/zinc/47/35/71/944473571.db2.gz SROUQGYOMNTYRY-HNNXBMFYSA-N 1 0 372.431 3.577 20 30 FHEDRO C[C@@H](Oc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000516091727 944490238 /nfs/dbraw/zinc/49/02/38/944490238.db2.gz BBKSLQQNHOTABU-QGZVFWFLSA-N 1 0 363.461 3.544 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439333320 944530859 /nfs/dbraw/zinc/53/08/59/944530859.db2.gz VPDWFNSOIVCDFD-GOSISDBHSA-N 1 0 365.880 3.655 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1OCC[NH+](CC)CC ZINC000660392161 944539937 /nfs/dbraw/zinc/53/99/37/944539937.db2.gz DHZGFGCBVJCQKT-BGYRXZFFSA-N 1 0 371.525 3.800 20 30 FHEDRO CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000516160491 944545904 /nfs/dbraw/zinc/54/59/04/944545904.db2.gz SQCFBEQTFWLIPL-JXFKEZNVSA-N 1 0 371.550 3.685 20 30 FHEDRO COC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000516200537 944572145 /nfs/dbraw/zinc/57/21/45/944572145.db2.gz QDDRJRFRFIQAFG-NRFANRHFSA-N 1 0 371.431 3.783 20 30 FHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2cccc(C#N)c2)CC1)CC(C)C ZINC000516201727 944573115 /nfs/dbraw/zinc/57/31/15/944573115.db2.gz WSINATNDVMLLCE-UHFFFAOYSA-N 1 0 370.541 3.848 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H]1C(F)(F)F ZINC000894775354 944575320 /nfs/dbraw/zinc/57/53/20/944575320.db2.gz KMZRAANHVHXBNQ-KFWWJZLASA-N 1 0 372.362 3.697 20 30 FHEDRO C=CCOc1ccccc1-c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000516213352 944596053 /nfs/dbraw/zinc/59/60/53/944596053.db2.gz QPNYGQLXQSLMHW-UHFFFAOYSA-N 1 0 365.433 3.909 20 30 FHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3Cl)C2)nc1 ZINC000439431840 944607850 /nfs/dbraw/zinc/60/78/50/944607850.db2.gz RUWALLQJWJUQRR-QGZVFWFLSA-N 1 0 368.868 3.766 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516242157 944610442 /nfs/dbraw/zinc/61/04/42/944610442.db2.gz FTBPBRINVDVGNC-CEXWTWQISA-N 1 0 370.541 3.846 20 30 FHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000426385312 944613214 /nfs/dbraw/zinc/61/32/14/944613214.db2.gz MTEGCSKSNAQOEA-GOSISDBHSA-N 1 0 367.880 3.746 20 30 FHEDRO N#Cc1c(-c2ccccc2)ccnc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167983197 944616077 /nfs/dbraw/zinc/61/60/77/944616077.db2.gz AHAHDXKCLOJINO-UHFFFAOYSA-N 1 0 354.413 3.771 20 30 FHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000505883006 944641587 /nfs/dbraw/zinc/64/15/87/944641587.db2.gz MTFNMFMWQMPWLK-UHFFFAOYSA-N 1 0 371.525 3.515 20 30 FHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000418469085 944658190 /nfs/dbraw/zinc/65/81/90/944658190.db2.gz BEWXKNQZDWRFCT-INIZCTEOSA-N 1 0 360.461 3.577 20 30 FHEDRO COc1cc(C[N@H+](C)CCOc2ccc(C#N)cc2)ccc1OC(F)F ZINC000015296841 944740021 /nfs/dbraw/zinc/74/00/21/944740021.db2.gz XAXQDEYNBRVMPL-UHFFFAOYSA-N 1 0 362.376 3.679 20 30 FHEDRO CCc1cc[n+](C(C(=O)c2cc(C)ccc2OC)C(=S)NC(C)C)cc1 ZINC000194838243 944750083 /nfs/dbraw/zinc/75/00/83/944750083.db2.gz JNCZIGLQGJBDRE-UHFFFAOYSA-O 1 0 371.526 3.790 20 30 FHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000458809451 944753785 /nfs/dbraw/zinc/75/37/85/944753785.db2.gz AIXKHWWFUWETFX-UYWIDEMCSA-N 1 0 368.525 3.793 20 30 FHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000499869701 944778596 /nfs/dbraw/zinc/77/85/96/944778596.db2.gz XHXOLVPDPTYQKZ-NEPJUHHUSA-N 1 0 354.376 3.523 20 30 FHEDRO C=CCOc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000506281571 944798578 /nfs/dbraw/zinc/79/85/78/944798578.db2.gz OGSRCGBMCKPUPG-UHFFFAOYSA-N 1 0 361.489 3.831 20 30 FHEDRO C[NH+](C)CCN(Cc1cc2ccc(F)cc2[nH]1)Cc1ccc(C#N)cc1 ZINC000518837985 944846483 /nfs/dbraw/zinc/84/64/83/944846483.db2.gz GCHSUOVHDQUICI-UHFFFAOYSA-N 1 0 350.441 3.742 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000425694667 944939073 /nfs/dbraw/zinc/93/90/73/944939073.db2.gz XEMKQGHBSDSQFK-UHFFFAOYSA-N 1 0 374.819 3.641 20 30 FHEDRO C=CCOc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000505937585 944945178 /nfs/dbraw/zinc/94/51/78/944945178.db2.gz YSFPCYSZNLKTQB-RTBURBONSA-N 1 0 356.510 3.978 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000518966771 944984580 /nfs/dbraw/zinc/98/45/80/944984580.db2.gz PKLIQVAMODKWHZ-GOSISDBHSA-N 1 0 367.493 3.571 20 30 FHEDRO CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)nn1C ZINC001270166083 944986157 /nfs/dbraw/zinc/98/61/57/944986157.db2.gz QZJGEAMQFXFNCB-KDURUIRLSA-N 1 0 360.546 3.654 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)o1 ZINC000151206331 944989750 /nfs/dbraw/zinc/98/97/50/944989750.db2.gz FZMMFQNXPJGWQO-LLVKDONJSA-N 1 0 370.762 3.587 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000516551163 944998876 /nfs/dbraw/zinc/99/88/76/944998876.db2.gz POIBCIXDMUVUIX-HDICACEKSA-N 1 0 362.433 3.709 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000518079650 944999255 /nfs/dbraw/zinc/99/92/55/944999255.db2.gz NTLGSEAGPGSMJB-KDURUIRLSA-N 1 0 370.541 3.989 20 30 FHEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000311309390 945006612 /nfs/dbraw/zinc/00/66/12/945006612.db2.gz WJPBFJASFZGRRD-SFHVURJKSA-N 1 0 358.482 3.578 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@]2(c3cccc(C)c3)C[C@@H]2CC)CC1 ZINC000507185193 945015499 /nfs/dbraw/zinc/01/54/99/945015499.db2.gz YSFJVFRLEIYOEC-PGRDOPGGSA-N 1 0 355.526 3.960 20 30 FHEDRO CCO[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C12CCCC2 ZINC000437099835 945019106 /nfs/dbraw/zinc/01/91/06/945019106.db2.gz SAHZWOMOMVDGRL-TUNPWDSISA-N 1 0 369.509 3.971 20 30 FHEDRO C[C@@H]1C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000330136479 945371637 /nfs/dbraw/zinc/37/16/37/945371637.db2.gz UDYKUPDGAIDAOY-ZNLUXHQJSA-N 1 0 372.509 3.681 20 30 FHEDRO C[C@@H]1C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@]2(CCCOC2)O1 ZINC000330136477 945371817 /nfs/dbraw/zinc/37/18/17/945371817.db2.gz UDYKUPDGAIDAOY-NQSCKRDGSA-N 1 0 372.509 3.681 20 30 FHEDRO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000330162808 945382399 /nfs/dbraw/zinc/38/23/99/945382399.db2.gz AMFCXCJCTBMFOJ-OAQYLSRUSA-N 1 0 354.498 3.535 20 30 FHEDRO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC000440312493 945394446 /nfs/dbraw/zinc/39/44/46/945394446.db2.gz FBAYYITYXNPCJR-XMMPIXPASA-N 1 0 373.500 3.545 20 30 FHEDRO O=C(N[C@H]1CCOC2(CCOCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000330214193 945406473 /nfs/dbraw/zinc/40/64/73/945406473.db2.gz FZAOYGZXMRUQEF-FQEVSTJZSA-N 1 0 372.509 3.583 20 30 FHEDRO O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330224057 945410866 /nfs/dbraw/zinc/41/08/66/945410866.db2.gz SQAHQCJZAJKUBY-GOSISDBHSA-N 1 0 370.493 3.853 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000330266959 945433916 /nfs/dbraw/zinc/43/39/16/945433916.db2.gz HWPWYLZGRWSSGB-CQSZACIVSA-N 1 0 351.516 3.525 20 30 FHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C ZINC000330269725 945435226 /nfs/dbraw/zinc/43/52/26/945435226.db2.gz SGJMQYDSTSCJKI-XUWVNRHRSA-N 1 0 372.513 3.784 20 30 FHEDRO O=C(N[C@@H]1CCn2ccnc2C1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000330281311 945443852 /nfs/dbraw/zinc/44/38/52/945443852.db2.gz UKWSBIKETOFQQX-WCIQWLHISA-N 1 0 364.493 3.770 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000519507019 945508392 /nfs/dbraw/zinc/50/83/92/945508392.db2.gz IIAMNOMOEACAKS-WOJBJXKFSA-N 1 0 357.542 3.795 20 30 FHEDRO C[N@@H+]1CCC[C@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)CC[C@H]21 ZINC000301659711 945533329 /nfs/dbraw/zinc/53/33/29/945533329.db2.gz CDYHRMJNTMWMKR-SCLBCKFNSA-N 1 0 372.419 3.628 20 30 FHEDRO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281138801 945537955 /nfs/dbraw/zinc/53/79/55/945537955.db2.gz ALTISNWKSKEDAD-HXUWFJFHSA-N 1 0 355.526 3.683 20 30 FHEDRO N#CC1(CCC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CCOCC1 ZINC000281140554 945537981 /nfs/dbraw/zinc/53/79/81/945537981.db2.gz AQXIEIIMLHYIHF-GOSISDBHSA-N 1 0 356.466 3.695 20 30 FHEDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000550308937 945585444 /nfs/dbraw/zinc/58/54/44/945585444.db2.gz BMCQAKBIQZFHDM-HTAPYJJXSA-N 1 0 350.462 3.778 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000281360471 945612775 /nfs/dbraw/zinc/61/27/75/945612775.db2.gz SGGSZSONDCJTOP-RXVVDRJESA-N 1 0 363.461 3.586 20 30 FHEDRO CC(C)(CC#N)C[NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000519641033 945613436 /nfs/dbraw/zinc/61/34/36/945613436.db2.gz ZTAUGXUMUFTALK-QGZVFWFLSA-N 1 0 354.450 3.748 20 30 FHEDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000519545115 945690622 /nfs/dbraw/zinc/69/06/22/945690622.db2.gz WHVHDFXRWYZYIK-UXHICEINSA-N 1 0 372.896 3.757 20 30 FHEDRO Cc1cc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)ccc1C#N ZINC000443988952 945696437 /nfs/dbraw/zinc/69/64/37/945696437.db2.gz PWKSBSQEHCRBQY-UHFFFAOYSA-N 1 0 359.223 3.648 20 30 FHEDRO CCc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000522711658 945703542 /nfs/dbraw/zinc/70/35/42/945703542.db2.gz KWMBDBFHUZXFLY-UHFFFAOYSA-N 1 0 356.473 3.991 20 30 FHEDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc(C#N)ccc2Cl)CCC1 ZINC000519746282 945711801 /nfs/dbraw/zinc/71/18/01/945711801.db2.gz ZOYPOYKWJOJVHA-UHFFFAOYSA-N 1 0 367.880 3.996 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000661115504 945739511 /nfs/dbraw/zinc/73/95/11/945739511.db2.gz DABGIIIYZGPDIU-APWZRJJASA-N 1 0 351.494 3.777 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000661119677 945745752 /nfs/dbraw/zinc/74/57/52/945745752.db2.gz VSTNESIOIBGFGS-HOCLYGCPSA-N 1 0 358.404 3.895 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000661116507 945748510 /nfs/dbraw/zinc/74/85/10/945748510.db2.gz YQMOAXHIAKJZJR-QAPCUYQASA-N 1 0 363.465 3.746 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121304761 945841754 /nfs/dbraw/zinc/84/17/54/945841754.db2.gz SIOSPJJEYZZFSN-OAHLLOKOSA-N 1 0 357.454 3.652 20 30 FHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1c(C)cccc1C ZINC000519871073 945844979 /nfs/dbraw/zinc/84/49/79/945844979.db2.gz VXDQNZSBZAZMMO-OAQYLSRUSA-N 1 0 350.462 3.603 20 30 FHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)nc1 ZINC000440756944 945847217 /nfs/dbraw/zinc/84/72/17/945847217.db2.gz GTIAYTWVBXOKEA-GOSISDBHSA-N 1 0 367.880 3.746 20 30 FHEDRO N#CC(CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000193063218 945849282 /nfs/dbraw/zinc/84/92/82/945849282.db2.gz MGGIPJHVUPFKFS-FQEVSTJZSA-N 1 0 374.406 3.885 20 30 FHEDRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC(C)(C)CCC#N ZINC000894513730 945853025 /nfs/dbraw/zinc/85/30/25/945853025.db2.gz AYXZNFIPSMODIO-UHFFFAOYSA-N 1 0 352.276 3.827 20 30 FHEDRO COc1cc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)ccc1C#N ZINC000281816216 945876263 /nfs/dbraw/zinc/87/62/63/945876263.db2.gz WLLGNWWSBYQISS-UHFFFAOYSA-N 1 0 364.474 3.808 20 30 FHEDRO CCC[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482270 945892208 /nfs/dbraw/zinc/89/22/08/945892208.db2.gz AAMKOOUPYDBEIU-QGZVFWFLSA-N 1 0 361.461 3.919 20 30 FHEDRO Cn1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c(-c2ccc(C#N)cc2)n1 ZINC000186437680 945913090 /nfs/dbraw/zinc/91/30/90/945913090.db2.gz DDGGEFRABLMFHN-HSZRJFAPSA-N 1 0 370.456 3.590 20 30 FHEDRO CC(C)[N@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(F)cc1 ZINC000281888884 945914639 /nfs/dbraw/zinc/91/46/39/945914639.db2.gz DSMVVDJZYVUOSA-UHFFFAOYSA-N 1 0 361.461 3.575 20 30 FHEDRO C=CCCCCNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000473685423 945936378 /nfs/dbraw/zinc/93/63/78/945936378.db2.gz GFIMCEUMCZUVRR-UHFFFAOYSA-N 1 0 372.513 3.979 20 30 FHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000101549835 945969427 /nfs/dbraw/zinc/96/94/27/945969427.db2.gz IGFQBSXNOPJQMV-LBPRGKRZSA-N 1 0 356.297 3.826 20 30 FHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC#Cc1ccccc1 ZINC000519974243 945986247 /nfs/dbraw/zinc/98/62/47/945986247.db2.gz NIYIMYNHQZRKLD-UHFFFAOYSA-N 1 0 363.505 3.592 20 30 FHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482423 946029290 /nfs/dbraw/zinc/02/92/90/946029290.db2.gz AYMQMIMTLJQZAS-SFHVURJKSA-N 1 0 373.497 3.658 20 30 FHEDRO [NH2+]=C(NCc1cccc(N2CCCC2=O)c1)Nc1cccc2c1CCCC2 ZINC000178421810 946113543 /nfs/dbraw/zinc/11/35/43/946113543.db2.gz XKSGMEKZVXZITC-UHFFFAOYSA-N 1 0 362.477 3.619 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCC[C@H](SC)C1 ZINC000441112632 946222156 /nfs/dbraw/zinc/22/21/56/946222156.db2.gz LMNDJFZKVFCJGJ-CVEARBPZSA-N 1 0 352.569 3.869 20 30 FHEDRO CCOc1ccc(C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C(C)C)cc1 ZINC000520173739 946228997 /nfs/dbraw/zinc/22/89/97/946228997.db2.gz YIZKGQBEBNGPAW-HXUWFJFHSA-N 1 0 368.477 3.607 20 30 FHEDRO C[N@H+](CCOc1cccc(C#N)c1)Cc1csc(Br)c1 ZINC000042324962 946241650 /nfs/dbraw/zinc/24/16/50/946241650.db2.gz KHWRWNAWLCABOH-UHFFFAOYSA-N 1 0 351.269 3.893 20 30 FHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1ccc(C#N)cc1 ZINC000046048652 946310558 /nfs/dbraw/zinc/31/05/58/946310558.db2.gz VWDJAXYEBMENJQ-UHFFFAOYSA-N 1 0 370.522 3.673 20 30 FHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1cccc(C#N)c1 ZINC000046040839 946311936 /nfs/dbraw/zinc/31/19/36/946311936.db2.gz XFFINPNYOCNEPW-UHFFFAOYSA-N 1 0 370.522 3.673 20 30 FHEDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1OC ZINC000109014987 946314247 /nfs/dbraw/zinc/31/42/47/946314247.db2.gz STFWSAWEFJVOHJ-CYBMUJFWSA-N 1 0 373.478 3.706 20 30 FHEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000441241450 946331032 /nfs/dbraw/zinc/33/10/32/946331032.db2.gz DFJGQSMXQSMJNY-ZOBUZTSGSA-N 1 0 361.511 3.567 20 30 FHEDRO C=C(C)COCCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000475094139 946366888 /nfs/dbraw/zinc/36/68/88/946366888.db2.gz IDPIVBAHAMLXEU-SFHVURJKSA-N 1 0 359.514 3.542 20 30 FHEDRO C[NH+](C)CCN(C(=O)CCCCOc1cccc(C#N)c1)c1ccccc1 ZINC000520327503 946418627 /nfs/dbraw/zinc/41/86/27/946418627.db2.gz HIQBOVLUOSDBNT-UHFFFAOYSA-N 1 0 365.477 3.702 20 30 FHEDRO N#CC1CCC(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000441350284 946503553 /nfs/dbraw/zinc/50/35/53/946503553.db2.gz AHOJJTZFBNHQDB-UHFFFAOYSA-N 1 0 365.271 3.640 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441369141 946520052 /nfs/dbraw/zinc/52/00/52/946520052.db2.gz CRUNQRHRMIQMMV-HXUWFJFHSA-N 1 0 365.477 3.849 20 30 FHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000441388114 946544271 /nfs/dbraw/zinc/54/42/71/946544271.db2.gz YZOSELUXTTXMBG-LEWJYISDSA-N 1 0 352.478 3.560 20 30 FHEDRO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)C(C)(C)C ZINC000661756305 946583411 /nfs/dbraw/zinc/58/34/11/946583411.db2.gz JJWGJJLZTFVDOZ-SFHVURJKSA-N 1 0 360.498 3.654 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)[NH+]2CCCC2)o1 ZINC000475527477 946600396 /nfs/dbraw/zinc/60/03/96/946600396.db2.gz NYVVSMQNWCSFTC-PMACEKPBSA-N 1 0 365.477 3.929 20 30 FHEDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000101930579 946614090 /nfs/dbraw/zinc/61/40/90/946614090.db2.gz OOMSPFQBUCICMR-KRWDZBQOSA-N 1 0 362.477 3.665 20 30 FHEDRO C=CCn1c(N2CCN([C@H](C)c3ccsc3)CC2)nnc1C(C)(C)C ZINC000508490932 946645268 /nfs/dbraw/zinc/64/52/68/946645268.db2.gz DWWZFGHTIFJNFF-OAHLLOKOSA-N 1 0 359.543 3.706 20 30 FHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(CC#N)cc3)cc2)CC1 ZINC000535337598 946653302 /nfs/dbraw/zinc/65/33/02/946653302.db2.gz WTPOIRYOERCYOZ-UHFFFAOYSA-N 1 0 361.489 3.915 20 30 FHEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000112545797 946656081 /nfs/dbraw/zinc/65/60/81/946656081.db2.gz CCGUKIJURHNVRQ-ZBFHGGJFSA-N 1 0 370.522 3.838 20 30 FHEDRO C=CCCCCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000473919312 946695552 /nfs/dbraw/zinc/69/55/52/946695552.db2.gz LGAYIJNZYGBYIH-GOSISDBHSA-N 1 0 359.514 3.542 20 30 FHEDRO C=CCOc1cccc(C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000475205898 946721672 /nfs/dbraw/zinc/72/16/72/946721672.db2.gz WHDMZRRLCGWGSN-UHFFFAOYSA-N 1 0 364.287 3.780 20 30 FHEDRO C=CCOc1ccccc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000475223419 946744024 /nfs/dbraw/zinc/74/40/24/946744024.db2.gz HCHYKGBWYVLTTQ-UHFFFAOYSA-N 1 0 364.287 3.780 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)CCCC1 ZINC000661852231 946761177 /nfs/dbraw/zinc/76/11/77/946761177.db2.gz ORGCYFQQLRLOEN-GOSISDBHSA-N 1 0 372.509 3.846 20 30 FHEDRO C=C[C@](C)(CC)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000188444911 946763262 /nfs/dbraw/zinc/76/32/62/946763262.db2.gz UUBUDQSQCLMRKC-HXUWFJFHSA-N 1 0 364.917 3.902 20 30 FHEDRO CC[C@@](C)(C#N)C(=O)NCc1ccccc1OCCC[N@H+](C)C1CCCC1 ZINC001126611395 946770099 /nfs/dbraw/zinc/77/00/99/946770099.db2.gz GUIFGFUSZRRJPE-QFIPXVFZSA-N 1 0 371.525 3.886 20 30 FHEDRO C=CCC1([NH2+]CC(=O)Nc2cc(Cl)c(OC)cc2OC)CCCC1 ZINC000661864290 946781069 /nfs/dbraw/zinc/78/10/69/946781069.db2.gz OOWOFMHRHJAEOL-UHFFFAOYSA-N 1 0 352.862 3.774 20 30 FHEDRO CCc1ccc(NC(=[NH2+])NCCC2CCN(CC(F)(F)F)CC2)cc1 ZINC000304797655 946795265 /nfs/dbraw/zinc/79/52/65/946795265.db2.gz NJQJNNIHIZHNGA-UHFFFAOYSA-N 1 0 356.436 3.640 20 30 FHEDRO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccc(F)cc1F ZINC000262535314 946796649 /nfs/dbraw/zinc/79/66/49/946796649.db2.gz PLAHIDBLMLLSCK-GFCCVEGCSA-N 1 0 361.392 3.656 20 30 FHEDRO CCc1cccc(NC(=[NH2+])NCc2ccc(C)cc2O[C@H]2CCOC2)c1 ZINC000305059605 946809748 /nfs/dbraw/zinc/80/97/48/946809748.db2.gz PMYPTFAFJQZIRP-IBGZPJMESA-N 1 0 353.466 3.652 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000049799188 946845431 /nfs/dbraw/zinc/84/54/31/946845431.db2.gz LOGPUDQJBDQINC-OAQYLSRUSA-N 1 0 364.493 3.565 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000049799189 946846036 /nfs/dbraw/zinc/84/60/36/946846036.db2.gz LOGPUDQJBDQINC-NRFANRHFSA-N 1 0 364.493 3.565 20 30 FHEDRO CN(C(=O)Nc1ccc(F)c(C#N)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000454712020 946866391 /nfs/dbraw/zinc/86/63/91/946866391.db2.gz RJYSOKLBSMUXKI-UHFFFAOYSA-N 1 0 372.366 3.578 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475312176 946867636 /nfs/dbraw/zinc/86/76/36/946867636.db2.gz KMQGJYSUDNWEHJ-HXUWFJFHSA-N 1 0 367.468 3.803 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccccc1 ZINC000895041824 946923820 /nfs/dbraw/zinc/92/38/20/946923820.db2.gz OOGPNNBIXNKDDC-FQEVSTJZSA-N 1 0 354.498 3.738 20 30 FHEDRO CC[NH+](CC)[C@H](CNc1cnc(C#N)cn1)c1ccc(C(F)(F)F)cc1 ZINC000475356348 946937615 /nfs/dbraw/zinc/93/76/15/946937615.db2.gz LWXJCCXXCDFJNH-MRXNPFEDSA-N 1 0 363.387 3.862 20 30 FHEDRO N#Cc1cc(Cl)c(-c2noc(CC3=CCNCC3(F)F)n2)cc1Cl ZINC001211901692 946944548 /nfs/dbraw/zinc/94/45/48/946944548.db2.gz KBUITAJCUUPPLJ-UHFFFAOYSA-N 1 0 371.174 3.622 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCOC4(CCC4)C3)CC2)CC1 ZINC000328642652 946962627 /nfs/dbraw/zinc/96/26/27/946962627.db2.gz DYSIYOFSXNBWLK-XBMUEBEBSA-N 1 0 363.546 3.635 20 30 FHEDRO C=CC[N@H+](Cc1ccc2ccccc2n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000523021281 946976358 /nfs/dbraw/zinc/97/63/58/946976358.db2.gz ZSEIKJFJHSGWDS-KRWDZBQOSA-N 1 0 370.460 3.960 20 30 FHEDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N(C)C)cc1 ZINC000067505937 947000608 /nfs/dbraw/zinc/00/06/08/947000608.db2.gz VJINXLIBNBUQKD-JOCHJYFZSA-N 1 0 350.510 3.737 20 30 FHEDRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCCC(=O)N3)c2)CC1 ZINC000328815105 947033630 /nfs/dbraw/zinc/03/36/30/947033630.db2.gz PLIWSRJFTFIDTD-MRXNPFEDSA-N 1 0 358.442 3.531 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](CCC(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000444610924 947036533 /nfs/dbraw/zinc/03/65/33/947036533.db2.gz PVNJUXXPTCXYJB-UHFFFAOYSA-N 1 0 371.484 3.622 20 30 FHEDRO C=CCCc1nc(-c2cc3c([nH]c2=O)CC[N@H+](Cc2ccccc2)C3)no1 ZINC000897254336 947042206 /nfs/dbraw/zinc/04/22/06/947042206.db2.gz QUPMZRUICGRCJH-UHFFFAOYSA-N 1 0 362.433 3.514 20 30 FHEDRO CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c2ccccc21 ZINC000328798813 947050537 /nfs/dbraw/zinc/05/05/37/947050537.db2.gz GOVZVGUYERWZIK-ICSRJNTNSA-N 1 0 355.482 3.848 20 30 FHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000444619198 947052142 /nfs/dbraw/zinc/05/21/42/947052142.db2.gz JBKWUNSDCNYVOP-GOTSBHOMSA-N 1 0 373.500 3.733 20 30 FHEDRO O=C(N[C@@H]1CCCC12CCOCC2)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000328833864 947056786 /nfs/dbraw/zinc/05/67/86/947056786.db2.gz RWUVFIYUUIBNKU-WOJBJXKFSA-N 1 0 371.525 3.504 20 30 FHEDRO CC[NH+]1CCC(CCNC(=O)c2sc([C@H]3CCCOC3)nc2C)CC1 ZINC000328855030 947066414 /nfs/dbraw/zinc/06/64/14/947066414.db2.gz WSNLUQVKIFQXLN-INIZCTEOSA-N 1 0 365.543 3.772 20 30 FHEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000444653262 947074188 /nfs/dbraw/zinc/07/41/88/947074188.db2.gz VMPQMTOCSQYDJT-OAHLLOKOSA-N 1 0 361.452 3.829 20 30 FHEDRO CCC[NH+]1CCC(CNC(=O)c2sc([C@H]3CCCOC3)nc2C)CC1 ZINC000328871597 947077519 /nfs/dbraw/zinc/07/75/19/947077519.db2.gz QBVCOWFIFHGXRB-INIZCTEOSA-N 1 0 365.543 3.772 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000444645081 947085778 /nfs/dbraw/zinc/08/57/78/947085778.db2.gz WVFBTAZOKUMSEY-HKUYNNGSSA-N 1 0 371.525 3.874 20 30 FHEDRO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000328940992 947095264 /nfs/dbraw/zinc/09/52/64/947095264.db2.gz KXKRDDJDCSGRIZ-YQVWRLOYSA-N 1 0 362.518 3.763 20 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/nfs/dbraw/zinc/13/59/77/947135977.db2.gz SCCIYILUPMWKQD-ZIFCJYIRSA-N 1 0 372.509 3.848 20 30 FHEDRO Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000328997415 947137908 /nfs/dbraw/zinc/13/79/08/947137908.db2.gz FVXPCUDLCDOXAK-UYAOXDASSA-N 1 0 374.529 3.641 20 30 FHEDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000330380224 947164127 /nfs/dbraw/zinc/16/41/27/947164127.db2.gz UJPRGLFAGIPOMU-LLVKDONJSA-N 1 0 363.260 3.530 20 30 FHEDRO CC(C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000330410940 947170021 /nfs/dbraw/zinc/17/00/21/947170021.db2.gz JZPMNKSTJLCCKU-UHFFFAOYSA-N 1 0 360.502 3.870 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(-c2ccccc2)n1 ZINC000428377081 947196188 /nfs/dbraw/zinc/19/61/88/947196188.db2.gz WWBXZWOZYCCOGV-OAQYLSRUSA-N 1 0 364.493 3.855 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)C[C@H]1C ZINC000330501569 947203474 /nfs/dbraw/zinc/20/34/74/947203474.db2.gz UXLKYNHQAJYIEN-ZIAGYGMSSA-N 1 0 371.476 3.827 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000331027149 947323787 /nfs/dbraw/zinc/32/37/87/947323787.db2.gz XBMAWZHWMZTRID-UHFFFAOYSA-N 1 0 370.291 3.658 20 30 FHEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000331040793 947334365 /nfs/dbraw/zinc/33/43/65/947334365.db2.gz DEFGDFAHQUNOJT-CRAIPNDOSA-N 1 0 360.502 3.551 20 30 FHEDRO CCNC(=O)c1ccc(C)c(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000331105924 947347230 /nfs/dbraw/zinc/34/72/30/947347230.db2.gz GGLODOSSFPIBKU-DOTOQJQBSA-N 1 0 360.502 3.670 20 30 FHEDRO CC(C)c1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)nn1C(C)(C)C ZINC000331121568 947351552 /nfs/dbraw/zinc/35/15/52/947351552.db2.gz XMZXZMLEDDVFCG-GOSISDBHSA-N 1 0 352.548 3.503 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)c(Cl)cc2OC)C[C@@H]1C ZINC000331145697 947357846 /nfs/dbraw/zinc/35/78/46/947357846.db2.gz SFHDPCOIJQKHAS-STQMWFEESA-N 1 0 369.893 3.707 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(NC(=O)C(C)C)c2)C[C@@H]1C ZINC000331128772 947363579 /nfs/dbraw/zinc/36/35/79/947363579.db2.gz OJGIEDGMXDLYPD-YJBOKZPZSA-N 1 0 360.502 3.631 20 30 FHEDRO N#CCCOCC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599525915 947368772 /nfs/dbraw/zinc/36/87/72/947368772.db2.gz BKYGMEGAPRWTOP-OAHLLOKOSA-N 1 0 355.301 3.546 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)ccc2OC(F)F)C[C@H]1C ZINC000331277748 947376361 /nfs/dbraw/zinc/37/63/61/947376361.db2.gz JNWCFHYJMRRIEY-OLZOCXBDSA-N 1 0 371.428 3.647 20 30 FHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)cc1 ZINC000181835609 947376983 /nfs/dbraw/zinc/37/69/83/947376983.db2.gz VXBABMSBNDWWRM-FZKQIMNGSA-N 1 0 355.438 3.845 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)CC1 ZINC000331242814 947379787 /nfs/dbraw/zinc/37/97/87/947379787.db2.gz KRJOXJRFBSBPHC-UHFFFAOYSA-N 1 0 360.502 3.908 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(C)=O)ccc2Cl)C[C@@H]1C ZINC000331311252 947384336 /nfs/dbraw/zinc/38/43/36/947384336.db2.gz ZJQPPIGIHWXNSL-WFASDCNBSA-N 1 0 366.893 3.649 20 30 FHEDRO CC1(C)CCC[N@H+](CCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000331314378 947384933 /nfs/dbraw/zinc/38/49/33/947384933.db2.gz IMVJZKWXBYEMKZ-UHFFFAOYSA-N 1 0 364.287 3.747 20 30 FHEDRO C=CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000523610204 947416164 /nfs/dbraw/zinc/41/61/64/947416164.db2.gz FWUOPIKTAJGDFU-AWEZNQCLSA-N 1 0 365.315 3.694 20 30 FHEDRO C[NH+](C)CCOc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872160 947431258 /nfs/dbraw/zinc/43/12/58/947431258.db2.gz SHJJCBPLUULMAO-GOTSBHOMSA-N 1 0 363.505 3.899 20 30 FHEDRO COc1ccc(CNc2cccc(N3CC[NH+](C(C)C)CC3)c2)cc1C#N ZINC000125724365 947540677 /nfs/dbraw/zinc/54/06/77/947540677.db2.gz GOOUIDRFATVUBS-UHFFFAOYSA-N 1 0 364.493 3.709 20 30 FHEDRO CN(C[C@H]1CCC[N@H+](C)C1)c1c(C#N)cnc2c(Br)cccc21 ZINC000440674756 947592007 /nfs/dbraw/zinc/59/20/07/947592007.db2.gz UBAYARDPJPSURT-ZDUSSCGKSA-N 1 0 373.298 3.647 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000500440426 947705042 /nfs/dbraw/zinc/70/50/42/947705042.db2.gz KAUCZOGZDCHBAQ-RTBURBONSA-N 1 0 373.500 3.711 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)CCC[NH2+]1 ZINC000662438430 947802843 /nfs/dbraw/zinc/80/28/43/947802843.db2.gz RSWHAZNHTQCECL-IBGZPJMESA-N 1 0 357.479 3.764 20 30 FHEDRO CCC[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459019946 947853606 /nfs/dbraw/zinc/85/36/06/947853606.db2.gz VSGIWWNSQYTQJS-SESVDKBCSA-N 1 0 368.525 3.765 20 30 FHEDRO CCC[C@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000459019945 947853778 /nfs/dbraw/zinc/85/37/78/947853778.db2.gz VSGIWWNSQYTQJS-JBACZVJFSA-N 1 0 368.525 3.765 20 30 FHEDRO C=CC[C@]1(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC000662493297 947861182 /nfs/dbraw/zinc/86/11/82/947861182.db2.gz JUGGGFRAAPYOFH-COPLHBTASA-N 1 0 372.353 3.710 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)CCC[NH2+]1 ZINC000662493864 947867852 /nfs/dbraw/zinc/86/78/52/947867852.db2.gz JZZJGBBYAPXGJV-VLIAUNLRSA-N 1 0 355.507 3.994 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(OCCCC)c(OC)c2)CCC[NH2+]1 ZINC000662508438 947877205 /nfs/dbraw/zinc/87/72/05/947877205.db2.gz BSFOPFMGXVYUGL-IERDGZPVSA-N 1 0 360.498 3.750 20 30 FHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459020626 947892863 /nfs/dbraw/zinc/89/28/63/947892863.db2.gz WKEATXWWIWQEJH-ICSRJNTNSA-N 1 0 356.514 3.622 20 30 FHEDRO CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000459023188 947895174 /nfs/dbraw/zinc/89/51/74/947895174.db2.gz YRXXFJJQQQRBBF-YXYSEUPNSA-N 1 0 368.525 3.936 20 30 FHEDRO N#Cc1cccc(/C=C/C(=O)N2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000278878329 947952872 /nfs/dbraw/zinc/95/28/72/947952872.db2.gz CPROWTBAAMLDGU-BQYQJAHWSA-N 1 0 360.461 3.510 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CCC[NH2+]1 ZINC000662687171 947980734 /nfs/dbraw/zinc/98/07/34/947980734.db2.gz VENRLYNWHNRMIC-FQEVSTJZSA-N 1 0 373.884 3.886 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)CCC[NH2+]1 ZINC000662694061 947985173 /nfs/dbraw/zinc/98/51/73/947985173.db2.gz UGKREYDQIFXLFF-NRFANRHFSA-N 1 0 350.466 3.523 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000663458360 948039334 /nfs/dbraw/zinc/03/93/34/948039334.db2.gz KJNIRVZFDJJLCF-ZVDOUQERSA-N 1 0 369.509 3.725 20 30 FHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000432326728 948071357 /nfs/dbraw/zinc/07/13/57/948071357.db2.gz DBUOSRSLJXCRFY-CQSZACIVSA-N 1 0 368.868 3.562 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nccc4ccc(F)cc43)CC2)cc1 ZINC000536225922 948081923 /nfs/dbraw/zinc/08/19/23/948081923.db2.gz NQONXSGAJRQQTA-UHFFFAOYSA-N 1 0 360.436 3.958 20 30 FHEDRO COCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)c1ccccc1 ZINC000441520341 948194123 /nfs/dbraw/zinc/19/41/23/948194123.db2.gz COVSOVPWJOWBQL-MRXNPFEDSA-N 1 0 362.433 3.818 20 30 FHEDRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000236815325 948231331 /nfs/dbraw/zinc/23/13/31/948231331.db2.gz JPEMUQCBXQIZPH-KRWDZBQOSA-N 1 0 365.477 3.749 20 30 FHEDRO C[N@H+](CCc1ccccc1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000520529293 948235120 /nfs/dbraw/zinc/23/51/20/948235120.db2.gz QKTKIQPZQIVICC-UHFFFAOYSA-N 1 0 355.869 3.761 20 30 FHEDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106729951 948235330 /nfs/dbraw/zinc/23/53/30/948235330.db2.gz WCJQMZXXYADNSX-UHFFFAOYSA-N 1 0 355.413 3.560 20 30 FHEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H](C)COC ZINC000663583855 948254594 /nfs/dbraw/zinc/25/45/94/948254594.db2.gz WXDLYRXHFKWXBH-RTBURBONSA-N 1 0 373.541 3.794 20 30 FHEDRO Cc1cc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc(C)c1C#N ZINC000909440331 948255340 /nfs/dbraw/zinc/25/53/40/948255340.db2.gz UDGSJCNGFMLRMV-UHFFFAOYSA-N 1 0 367.415 3.664 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC000546311742 948332556 /nfs/dbraw/zinc/33/25/56/948332556.db2.gz OXAKJOWJOUZXKG-HXUWFJFHSA-N 1 0 350.466 3.825 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cscc3C#N)cc2)C1 ZINC000432404324 948345706 /nfs/dbraw/zinc/34/57/06/948345706.db2.gz UTBPQLGNZLGCAG-OAHLLOKOSA-N 1 0 353.491 3.782 20 30 FHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)C3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000183263739 948366602 /nfs/dbraw/zinc/36/66/02/948366602.db2.gz HSABSZRQGGILLD-VQTJNVASSA-N 1 0 367.493 3.563 20 30 FHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000182065094 948484525 /nfs/dbraw/zinc/48/45/25/948484525.db2.gz GMUCSAQYICWCIA-KRWDZBQOSA-N 1 0 363.461 3.764 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000549626951 948485477 /nfs/dbraw/zinc/48/54/77/948485477.db2.gz VXYUAGASSLFRES-YPVJZLTNSA-N 1 0 359.473 3.835 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1COc2ccccc21 ZINC000182073119 948494153 /nfs/dbraw/zinc/49/41/53/948494153.db2.gz ZKKDVNNKHFFLKP-VGOFRKELSA-N 1 0 361.489 3.677 20 30 FHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000184162414 948532430 /nfs/dbraw/zinc/53/24/30/948532430.db2.gz ZTVKAFRXINTSID-UHFFFAOYSA-N 1 0 369.509 3.739 20 30 FHEDRO C#CCN(C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000163156454 948571778 /nfs/dbraw/zinc/57/17/78/948571778.db2.gz MAKKLPVIJMWLCQ-UHFFFAOYSA-N 1 0 353.510 3.547 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000520695808 948598928 /nfs/dbraw/zinc/59/89/28/948598928.db2.gz FMTNXXUMUFYBGZ-UHFFFAOYSA-N 1 0 359.489 3.935 20 30 FHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549634296 948681744 /nfs/dbraw/zinc/68/17/44/948681744.db2.gz NDZATBPZHSNIML-UHFFFAOYSA-N 1 0 367.541 3.720 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000429806446 948710344 /nfs/dbraw/zinc/71/03/44/948710344.db2.gz LUDOKMQVYJZNFC-AWEZNQCLSA-N 1 0 355.507 3.932 20 30 FHEDRO C[N@@H+]1CC[C@@H](CN[C@@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1c1cccnc1 ZINC000328655850 523961764 /nfs/dbraw/zinc/96/17/64/523961764.db2.gz YVFWMOKKZDMMEX-TYPHKJRUSA-N 1 0 364.493 3.524 20 30 FHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000601744041 567833840 /nfs/dbraw/zinc/83/38/40/567833840.db2.gz JVDLVGUESHROJA-UHFFFAOYSA-N 1 0 353.510 3.968 20 30 FHEDRO C=CCC1(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCC1 ZINC000188533108 567879067 /nfs/dbraw/zinc/87/90/67/567879067.db2.gz AXNPJPDMVZJBGD-HDICACEKSA-N 1 0 356.510 3.658 20 30 FHEDRO C[N@@H+]1CC[C@H](CC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000602072820 567916306 /nfs/dbraw/zinc/91/63/06/567916306.db2.gz JVJVTLCEBXKLMN-GOSISDBHSA-N 1 0 363.461 3.612 20 30 FHEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602508511 567988942 /nfs/dbraw/zinc/98/89/42/567988942.db2.gz NBDYGHZOPYQQBO-PZJWPPBQSA-N 1 0 357.542 3.628 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000602550161 567990598 /nfs/dbraw/zinc/99/05/98/567990598.db2.gz IDBJYHRQVGUBJB-DLBZAZTESA-N 1 0 361.917 3.997 20 30 FHEDRO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602578471 567993456 /nfs/dbraw/zinc/99/34/56/567993456.db2.gz VIFZRXBFVRAEFB-HNNXBMFYSA-N 1 0 350.890 3.970 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000602585099 567994254 /nfs/dbraw/zinc/99/42/54/567994254.db2.gz MJODHQCYCQUUOK-PBHICJAKSA-N 1 0 367.415 3.726 20 30 FHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602586124 567994417 /nfs/dbraw/zinc/99/44/17/567994417.db2.gz ZMEMTQVRPGKJEB-JKSUJKDBSA-N 1 0 371.378 3.919 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000602590003 567994830 /nfs/dbraw/zinc/99/48/30/567994830.db2.gz BDXTUTOZYQDWAJ-GOSISDBHSA-N 1 0 365.477 3.849 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000602564065 567995410 /nfs/dbraw/zinc/99/54/10/567995410.db2.gz KRXDOOIUCUETEZ-SFHVURJKSA-N 1 0 356.514 3.651 20 30 FHEDRO N#CC1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602564626 567995521 /nfs/dbraw/zinc/99/55/21/567995521.db2.gz AWELCBYGEKBWOU-UHFFFAOYSA-N 1 0 355.526 3.730 20 30 FHEDRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)CC3(C#N)CCOCC3)cc2)n1 ZINC000602564845 567995523 /nfs/dbraw/zinc/99/55/23/567995523.db2.gz PEXVXFWLVHAURP-MRXNPFEDSA-N 1 0 368.481 3.530 20 30 FHEDRO Cc1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c(OC[C@H]2CCCO2)c1 ZINC000602567549 567995787 /nfs/dbraw/zinc/99/57/87/567995787.db2.gz FPFCXYVODGEDJO-AZUAARDMSA-N 1 0 372.509 3.741 20 30 FHEDRO C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000602605424 567997021 /nfs/dbraw/zinc/99/70/21/567997021.db2.gz VHBXKUOSXPAUDT-DOTOQJQBSA-N 1 0 353.388 3.564 20 30 FHEDRO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602605514 567997072 /nfs/dbraw/zinc/99/70/72/567997072.db2.gz WCBGOESZTJLZMO-WMZOPIPTSA-N 1 0 367.415 3.954 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000602639508 568002652 /nfs/dbraw/zinc/00/26/52/568002652.db2.gz SNCVQXXBDCTYCF-ZNLUXHQJSA-N 1 0 374.500 3.588 20 30 FHEDRO CN1CC[C@@H]([NH2+]CC2(CC#N)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000602641843 568003108 /nfs/dbraw/zinc/00/31/08/568003108.db2.gz FTXGWNTVXXDJDR-IAGOWNOFSA-N 1 0 362.315 3.868 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000602674210 568008645 /nfs/dbraw/zinc/00/86/45/568008645.db2.gz VUYSCEQODIRENL-OAHLLOKOSA-N 1 0 358.873 3.714 20 30 FHEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000602917340 568012528 /nfs/dbraw/zinc/01/25/28/568012528.db2.gz DPQFPBLKSOBFHJ-RTWAWAEBSA-N 1 0 352.478 3.523 20 30 FHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1c(F)cccc1C#N ZINC000568305889 568013153 /nfs/dbraw/zinc/01/31/53/568013153.db2.gz FACXKPWCFPCKOA-NRFANRHFSA-N 1 0 367.468 3.513 20 30 FHEDRO N#CC1(CCC[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000602923824 568017958 /nfs/dbraw/zinc/01/79/58/568017958.db2.gz GNNXMVIEYWIFAE-KRWDZBQOSA-N 1 0 354.853 3.593 20 30 FHEDRO COC(=O)c1ccc2c(c1)[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)CCC2 ZINC000602710911 568019140 /nfs/dbraw/zinc/01/91/40/568019140.db2.gz ZZSDORJFPGHSFF-LPHOPBHVSA-N 1 0 370.493 3.582 20 30 FHEDRO Cc1ncc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 ZINC000602953640 568028410 /nfs/dbraw/zinc/02/84/10/568028410.db2.gz AFEQUBLQVNEBJA-STQMWFEESA-N 1 0 374.535 3.993 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000064486618 568029168 /nfs/dbraw/zinc/02/91/68/568029168.db2.gz AJGGZAXLHQKGOU-LJQANCHMSA-N 1 0 358.526 3.960 20 30 FHEDRO N#CCC1(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000602798043 568035679 /nfs/dbraw/zinc/03/56/79/568035679.db2.gz FQOGQLVXJWKIBQ-MRXNPFEDSA-N 1 0 365.399 3.652 20 30 FHEDRO C[C@@H](NCC1(CC#N)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000602809819 568041661 /nfs/dbraw/zinc/04/16/61/568041661.db2.gz QJFDTPSNZJTMTG-LLVKDONJSA-N 1 0 361.243 3.844 20 30 FHEDRO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000481617130 568068800 /nfs/dbraw/zinc/06/88/00/568068800.db2.gz YRRPLHWCQPTNOG-KRWDZBQOSA-N 1 0 361.489 3.962 20 30 FHEDRO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000291178379 568069047 /nfs/dbraw/zinc/06/90/47/568069047.db2.gz FKPMBIUXDFPYMW-HXUWFJFHSA-N 1 0 356.491 3.964 20 30 FHEDRO CCOc1ccc([C@H](O)C2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000291178378 568069129 /nfs/dbraw/zinc/06/91/29/568069129.db2.gz FKPMBIUXDFPYMW-FQEVSTJZSA-N 1 0 356.491 3.964 20 30 FHEDRO N#Cc1c(CN2CCC(O)(Cc3ccc(F)cc3)CC2)cn2ccccc12 ZINC000481613920 568071119 /nfs/dbraw/zinc/07/11/19/568071119.db2.gz VOBOOFWGOZLTIZ-UHFFFAOYSA-N 1 0 363.436 3.520 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)cc2)CC1 ZINC000291206550 568078363 /nfs/dbraw/zinc/07/83/63/568078363.db2.gz UXVPVOGBDCLHTL-UHFFFAOYSA-N 1 0 366.421 3.552 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1N1CCOCC1 ZINC000481667608 568081072 /nfs/dbraw/zinc/08/10/72/568081072.db2.gz KBHLSUQLLMVNQS-QFIPXVFZSA-N 1 0 361.489 3.952 20 30 FHEDRO COC(=O)COc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481678703 568085442 /nfs/dbraw/zinc/08/54/42/568085442.db2.gz RAIYQTMWSMHYMS-OAQYLSRUSA-N 1 0 364.445 3.667 20 30 FHEDRO N#Cc1cccc(CNC(=O)CN2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000481754067 568115465 /nfs/dbraw/zinc/11/54/65/568115465.db2.gz YZZOONMHQWJDGS-UHFFFAOYSA-N 1 0 365.864 3.617 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000181889717 568121004 /nfs/dbraw/zinc/12/10/04/568121004.db2.gz OBISNJUTWASSCY-SJLPKXTDSA-N 1 0 365.477 3.753 20 30 FHEDRO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000603853669 568167337 /nfs/dbraw/zinc/16/73/37/568167337.db2.gz KUVFGNMPISVYMM-UGKGYDQZSA-N 1 0 353.510 3.929 20 30 FHEDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N(C)C)cc1OC ZINC000181918398 568196325 /nfs/dbraw/zinc/19/63/25/568196325.db2.gz ZLNDBWCPXKZFGM-KXBFYZLASA-N 1 0 353.466 3.529 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+][C@H]3CC[C@H](c4cccc(Cl)c4)C3)cnc12 ZINC000568885546 568248097 /nfs/dbraw/zinc/24/80/97/568248097.db2.gz XJVDYQUDGUVUBB-YJBOKZPZSA-N 1 0 351.841 3.680 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007788114 568255941 /nfs/dbraw/zinc/25/59/41/568255941.db2.gz JROPVUCNJVFKMJ-UHFFFAOYSA-N 1 0 353.491 3.903 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)CC1 ZINC000303301778 568265531 /nfs/dbraw/zinc/26/55/31/568265531.db2.gz QDEVESYXXRYDOW-KRWDZBQOSA-N 1 0 358.526 3.908 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000303453932 568279761 /nfs/dbraw/zinc/27/97/61/568279761.db2.gz FPBQUXORKPHRRO-FQEVSTJZSA-N 1 0 350.462 3.532 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482139775 568287859 /nfs/dbraw/zinc/28/78/59/568287859.db2.gz GFJNQDRWZLJJDD-RBUKOAKNSA-N 1 0 367.497 3.598 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1(CC)CC ZINC000482140117 568288021 /nfs/dbraw/zinc/28/80/21/568288021.db2.gz QQNNKMGHQOQDKB-XOKHGSTOSA-N 1 0 361.486 3.669 20 30 FHEDRO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCCc2ccccc21 ZINC000604468341 568297536 /nfs/dbraw/zinc/29/75/36/568297536.db2.gz MIZIVORAOAPHAH-UGKGYDQZSA-N 1 0 350.462 3.502 20 30 FHEDRO CCC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCc2ccccc21 ZINC000604503422 568302125 /nfs/dbraw/zinc/30/21/25/568302125.db2.gz OLXOIOLEGXNDAB-OFNKIYASSA-N 1 0 364.489 3.892 20 30 FHEDRO CCC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604503395 568302177 /nfs/dbraw/zinc/30/21/77/568302177.db2.gz JROSYKZTWCNUOS-LJQANCHMSA-N 1 0 356.441 3.544 20 30 FHEDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000569177286 568304835 /nfs/dbraw/zinc/30/48/35/568304835.db2.gz BWFOYKWFROSRQH-KRWDZBQOSA-N 1 0 365.477 3.596 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)ccc1OC ZINC000604509025 568305785 /nfs/dbraw/zinc/30/57/85/568305785.db2.gz HUFJFVIVWNQYQK-UHFFFAOYSA-N 1 0 372.421 3.857 20 30 FHEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)cc1OC ZINC000623721824 568314337 /nfs/dbraw/zinc/31/43/37/568314337.db2.gz RFOOLKOBTKDRKE-QGZVFWFLSA-N 1 0 372.852 3.566 20 30 FHEDRO C=CCOc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000604765091 568361784 /nfs/dbraw/zinc/36/17/84/568361784.db2.gz ADDIWLDCAGJGHW-MOPGFXCFSA-N 1 0 365.395 3.876 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)C(C)(C)O)cc1OCC ZINC000604765543 568361833 /nfs/dbraw/zinc/36/18/33/568361833.db2.gz SXZPJDUULZFFFG-GFCCVEGCSA-N 1 0 372.303 3.662 20 30 FHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(Cl)c(C#N)c3)cccc21 ZINC000569329708 568389111 /nfs/dbraw/zinc/38/91/11/568389111.db2.gz IVHVCCAKCQRIQI-KRWDZBQOSA-N 1 0 355.825 3.849 20 30 FHEDRO N#CCC[C@@H](C#N)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032514625 568393763 /nfs/dbraw/zinc/39/37/63/568393763.db2.gz AJCXYYZRPCAJKE-FQEVSTJZSA-N 1 0 358.489 3.837 20 30 FHEDRO Cc1nc(SCC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c(C#N)c(C)c1C ZINC000569937716 568435272 /nfs/dbraw/zinc/43/52/72/568435272.db2.gz UGPRIDUOJUEWPS-CYBMUJFWSA-N 1 0 354.479 3.629 20 30 FHEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2)CC1 ZINC000570048716 568443368 /nfs/dbraw/zinc/44/33/68/568443368.db2.gz KDTVCJRYZVYFRW-UHFFFAOYSA-N 1 0 369.852 3.937 20 30 FHEDRO CCOCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000570064137 568456193 /nfs/dbraw/zinc/45/61/93/568456193.db2.gz AZJZKOITACMTFV-UHFFFAOYSA-N 1 0 374.529 3.825 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)cc1 ZINC000570179004 568459508 /nfs/dbraw/zinc/45/95/08/568459508.db2.gz GLISUMXONKPSCR-OAQYLSRUSA-N 1 0 364.489 3.790 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H](C)C#N ZINC000049982253 568641425 /nfs/dbraw/zinc/64/14/25/568641425.db2.gz ISEKKSRVNPQTMP-AWEZNQCLSA-N 1 0 358.511 3.699 20 30 FHEDRO Cc1cc(=O)n(C)cc1NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000328602180 571323809 /nfs/dbraw/zinc/32/38/09/571323809.db2.gz AROZEWVUQWUABY-XMSQKQJNSA-N 1 0 365.477 3.584 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000828258172 602054736 /nfs/dbraw/zinc/05/47/36/602054736.db2.gz QPKNCGQFWBYSDM-LAUBAEHRSA-N 1 0 369.509 3.660 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1C(C)(C)C#N ZINC000819745691 607146387 /nfs/dbraw/zinc/14/63/87/607146387.db2.gz PPLXXVRXUWCEGG-UHFFFAOYSA-N 1 0 372.476 3.856 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826387046 608310841 /nfs/dbraw/zinc/31/08/41/608310841.db2.gz DGNJAYMTUNNYRD-UHFFFAOYSA-N 1 0 366.428 3.695 20 30 FHEDRO N#Cc1cnc2cc[nH]c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c1-2 ZINC001164626903 719091940 /nfs/dbraw/zinc/09/19/40/719091940.db2.gz JNJYDPDEFMSTPG-YLJYHZDGSA-N 1 0 357.461 3.535 20 30 FHEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725937 720384884 /nfs/dbraw/zinc/38/48/84/720384884.db2.gz OGLHBCGCGNGSPZ-HOTGVXAUSA-N 1 0 374.275 3.508 20 30 FHEDRO Cc1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1C#N ZINC001164793946 721491241 /nfs/dbraw/zinc/49/12/41/721491241.db2.gz YPBSOJRXHZWVAL-UHFFFAOYSA-N 1 0 361.493 3.538 20 30 FHEDRO C[NH+](C)CC1CCN(c2nc3cc(F)c(F)cc3c(Cl)c2C#N)CC1 ZINC001165043088 721951556 /nfs/dbraw/zinc/95/15/56/721951556.db2.gz ZGTNNFFMPRFDDM-UHFFFAOYSA-N 1 0 364.827 3.816 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)nc1 ZINC000582973268 936336710 /nfs/dbraw/zinc/33/67/10/936336710.db2.gz UARBSXZOFTZVJR-HNNXBMFYSA-N 1 0 356.267 3.780 20 30 FHEDRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(C)c1OC ZINC000583051476 937079905 /nfs/dbraw/zinc/07/99/05/937079905.db2.gz QRKLGUUQCVAWFM-UHFFFAOYSA-N 1 0 365.477 3.596 20 30 FHEDRO C=CCC(C)(C)CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000458381955 937113956 /nfs/dbraw/zinc/11/39/56/937113956.db2.gz XHUSNMXSGABTKU-GOSISDBHSA-N 1 0 373.541 3.788 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091863857 937140447 /nfs/dbraw/zinc/14/04/47/937140447.db2.gz IIXUXPCNGSOFHC-QGZVFWFLSA-N 1 0 362.489 3.620 20 30 FHEDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cc1OCCCC#N ZINC000579726056 927206907 /nfs/dbraw/zinc/20/69/07/927206907.db2.gz WJQQPNLFDFFTJB-HKUYNNGSSA-N 1 0 360.498 3.893 20 30 FHEDRO CCOCCC[N@@H+]1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)[C@@H](C)C1 ZINC000246850147 927217071 /nfs/dbraw/zinc/21/70/71/927217071.db2.gz QRBQBPGTRMETSB-ZFWWWQNUSA-N 1 0 370.419 3.521 20 30 FHEDRO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(OC(F)F)cc1C ZINC000430161008 927459187 /nfs/dbraw/zinc/45/91/87/927459187.db2.gz BPEASGTWKPHZRD-KRWDZBQOSA-N 1 0 373.403 3.825 20 30 FHEDRO CCC[N@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000510059281 927520441 /nfs/dbraw/zinc/52/04/41/927520441.db2.gz XXCOJRBOGBTTQM-IBGZPJMESA-N 1 0 363.505 3.826 20 30 FHEDRO C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000186918214 927575598 /nfs/dbraw/zinc/57/55/98/927575598.db2.gz FSRQWIZGOJETRZ-OXJNMPFZSA-N 1 0 365.477 3.523 20 30 FHEDRO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(C)c1OC(F)F ZINC000430179417 927582023 /nfs/dbraw/zinc/58/20/23/927582023.db2.gz QMRDUCCJADKDJO-QGZVFWFLSA-N 1 0 373.403 3.825 20 30 FHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)nc1 ZINC000430188553 927682283 /nfs/dbraw/zinc/68/22/83/927682283.db2.gz UKPUEUYTTMAHNQ-FQEVSTJZSA-N 1 0 374.419 3.808 20 30 FHEDRO Cc1cc(C)c(OCC(=O)NCC2([NH+]3CCCC3)CCOCC2)c(C)c1 ZINC000329124585 937194527 /nfs/dbraw/zinc/19/45/27/937194527.db2.gz XRCZZBALCUTYGK-UHFFFAOYSA-N 1 0 360.498 3.592 20 30 FHEDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000187029909 927851499 /nfs/dbraw/zinc/85/14/99/927851499.db2.gz HJSQIPXLKZHCBI-UHFFFAOYSA-N 1 0 363.461 3.907 20 30 FHEDRO C[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000111657453 927867032 /nfs/dbraw/zinc/86/70/32/927867032.db2.gz OBDZMPMYCBPASY-JTMYGCHMSA-N 1 0 369.509 3.626 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047106131 928176847 /nfs/dbraw/zinc/17/68/47/928176847.db2.gz YYWYYFWJJFYXNF-LSDHHAIUSA-N 1 0 353.919 3.726 20 30 FHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167072143 928260752 /nfs/dbraw/zinc/26/07/52/928260752.db2.gz WNUAUKFCKKRXQS-UHFFFAOYSA-N 1 0 374.822 3.797 20 30 FHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000157688361 928429148 /nfs/dbraw/zinc/42/91/48/928429148.db2.gz HKPIAYUXQLDKKJ-INIZCTEOSA-N 1 0 358.486 3.541 20 30 FHEDRO CON=Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000254944017 928439305 /nfs/dbraw/zinc/43/93/05/928439305.db2.gz LZJMETINXYFFBG-QGZVFWFLSA-N 1 0 365.477 3.622 20 30 FHEDRO CC(C)c1[nH+]c(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)c2ccccn21 ZINC000583216947 937249111 /nfs/dbraw/zinc/24/91/11/937249111.db2.gz JEWOTLMTOGAEBY-HXUWFJFHSA-N 1 0 373.504 3.668 20 30 FHEDRO COc1cccc(/C=N\C[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1O ZINC000254955229 928498311 /nfs/dbraw/zinc/49/83/11/928498311.db2.gz ALFRYKCINRFVMQ-GFHXCNCHSA-N 1 0 354.450 3.665 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC000683239529 928517892 /nfs/dbraw/zinc/51/78/92/928517892.db2.gz HICPHOTUAVCDAK-UHFFFAOYSA-N 1 0 362.342 3.754 20 30 FHEDRO O=C(CCc1nc2ccccc2s1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329127747 937263387 /nfs/dbraw/zinc/26/33/87/937263387.db2.gz ZEMOJCXKSXDYHN-UHFFFAOYSA-N 1 0 373.522 3.830 20 30 FHEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000052207823 937267643 /nfs/dbraw/zinc/26/76/43/937267643.db2.gz UUIRBPMPBYJZAJ-FXAWDEMLSA-N 1 0 357.498 3.620 20 30 FHEDRO CCc1cc[n+](C(C(=O)c2nccs2)C(=S)NC2CCCCC2)cc1 ZINC000278157685 937279065 /nfs/dbraw/zinc/27/90/65/937279065.db2.gz BVKVRHWHJYGARS-UHFFFAOYSA-O 1 0 374.555 3.854 20 30 FHEDRO COc1ccc(O)c(/C=N\C[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000255001537 928852783 /nfs/dbraw/zinc/85/27/83/928852783.db2.gz UWBZDHNKMKEKGI-MAGMUUGSSA-N 1 0 354.450 3.665 20 30 FHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000510130282 928898285 /nfs/dbraw/zinc/89/82/85/928898285.db2.gz CIFCRHXUSISKSN-AWEZNQCLSA-N 1 0 355.360 3.660 20 30 FHEDRO CCCOc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000134512292 928965617 /nfs/dbraw/zinc/96/56/17/928965617.db2.gz AJUNHXPCRYNQMK-UHFFFAOYSA-N 1 0 363.461 3.734 20 30 FHEDRO CCN(C(=O)OC(C)(C)C)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001208926201 929017747 /nfs/dbraw/zinc/01/77/47/929017747.db2.gz JEQSHGVJKYVFAE-UHFFFAOYSA-N 1 0 357.498 3.822 20 30 FHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1nc(C(=O)OC)c2ccccc21 ZINC000748087662 929050629 /nfs/dbraw/zinc/05/06/29/929050629.db2.gz ZKEJPVZZTIYGCL-UHFFFAOYSA-N 1 0 362.433 3.564 20 30 FHEDRO CC1CC[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])cc3C#N)cc2)CC1 ZINC000032829620 929192182 /nfs/dbraw/zinc/19/21/82/929192182.db2.gz NICPWINGYRHDBF-UHFFFAOYSA-N 1 0 365.437 3.705 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)c(C(F)(F)F)c1 ZINC000583294551 937327225 /nfs/dbraw/zinc/32/72/25/937327225.db2.gz NIWNVDDKGRTWPL-SFHVURJKSA-N 1 0 373.378 3.862 20 30 FHEDRO CN(C(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000430297409 929403367 /nfs/dbraw/zinc/40/33/67/929403367.db2.gz VFJPQEBXECOEBZ-GOSISDBHSA-N 1 0 352.865 3.676 20 30 FHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000548792252 937336781 /nfs/dbraw/zinc/33/67/81/937336781.db2.gz PDQALCPIYWKWDJ-CTWPCTMYSA-N 1 0 355.482 3.582 20 30 FHEDRO C[NH+](C)[C@@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)c1ccccc1 ZINC000610244905 929547673 /nfs/dbraw/zinc/54/76/73/929547673.db2.gz AKMCZELSYBVAQQ-KRWDZBQOSA-N 1 0 352.388 3.521 20 30 FHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(CC#N)cc3)CCN2C2CC2)c1 ZINC000569627469 937344808 /nfs/dbraw/zinc/34/48/08/937344808.db2.gz KHIQDSNPCSVWNK-PKTZIBPZSA-N 1 0 361.489 3.829 20 30 FHEDRO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1C#N ZINC000134956653 929635794 /nfs/dbraw/zinc/63/57/94/929635794.db2.gz HRSYOYIAIKWHOV-SFHVURJKSA-N 1 0 352.434 3.921 20 30 FHEDRO Cc1cc(C(=O)NCCC[NH+]2CCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728264265 929754593 /nfs/dbraw/zinc/75/45/93/929754593.db2.gz APXUXUIRYUGQHU-UHFFFAOYSA-N 1 0 364.493 3.572 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000547990115 929783899 /nfs/dbraw/zinc/78/38/99/929783899.db2.gz CNOXNOPYBWKPAV-JKSUJKDBSA-N 1 0 359.901 3.938 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000126138853 937361038 /nfs/dbraw/zinc/36/10/38/937361038.db2.gz NDTHTIKKRUUURY-UHFFFAOYSA-N 1 0 370.419 3.881 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000610338055 930023725 /nfs/dbraw/zinc/02/37/25/930023725.db2.gz UFOPLHQJLUOKRU-OWCLPIDISA-N 1 0 364.449 3.945 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000610338054 930024319 /nfs/dbraw/zinc/02/43/19/930024319.db2.gz UFOPLHQJLUOKRU-OAGGEKHMSA-N 1 0 364.449 3.945 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610343798 930043530 /nfs/dbraw/zinc/04/35/30/930043530.db2.gz SMTAHAGMSYINEU-RYUDHWBXSA-N 1 0 372.812 3.798 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1Br ZINC000610346171 930046747 /nfs/dbraw/zinc/04/67/47/930046747.db2.gz NGYMDHFZGMZMCO-STQMWFEESA-N 1 0 372.266 3.999 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610346459 930056847 /nfs/dbraw/zinc/05/68/47/930056847.db2.gz RQRIJFJNXGFADV-KRWDZBQOSA-N 1 0 364.493 3.960 20 30 FHEDRO N#Cc1csc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000177695837 930163638 /nfs/dbraw/zinc/16/36/38/930163638.db2.gz ASRLEKHKKOPFDY-AWEZNQCLSA-N 1 0 362.296 3.751 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1ccccc1C#N)c1ccsc1 ZINC000255170372 930275966 /nfs/dbraw/zinc/27/59/66/930275966.db2.gz BXGJLTHHAYBSPT-VJIACCKLSA-N 1 0 353.491 3.832 20 30 FHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000074917254 930342302 /nfs/dbraw/zinc/34/23/02/930342302.db2.gz HJOSNYCOJUQUMO-INIZCTEOSA-N 1 0 368.456 3.532 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(CCC#N)CC1 ZINC000580309080 930467971 /nfs/dbraw/zinc/46/79/71/930467971.db2.gz CWAVYGUHSVRPQU-UHFFFAOYSA-N 1 0 372.513 3.955 20 30 FHEDRO N#CCc1cc2ccccc2c(N(Cc2ccccc2)C2(C[NH3+])COC2)c1 ZINC001167378347 930488119 /nfs/dbraw/zinc/48/81/19/930488119.db2.gz NOTQRMFTGIEIKZ-UHFFFAOYSA-N 1 0 357.457 3.640 20 30 FHEDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610424052 930501096 /nfs/dbraw/zinc/50/10/96/930501096.db2.gz VUNKHBXUVWTIAG-GJZGRUSLSA-N 1 0 350.422 3.557 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)ccc1OC ZINC000580381577 930600077 /nfs/dbraw/zinc/60/00/77/930600077.db2.gz LOXNRQMWMLJOSP-NFBKMPQASA-N 1 0 367.489 3.906 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)ccc1OC ZINC000580381580 930600114 /nfs/dbraw/zinc/60/01/14/930600114.db2.gz LOXNRQMWMLJOSP-REWPJTCUSA-N 1 0 367.489 3.906 20 30 FHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1cccc(C#N)c1 ZINC000471574000 930632575 /nfs/dbraw/zinc/63/25/75/930632575.db2.gz LQGBCOOYSLNPKT-IRXDYDNUSA-N 1 0 362.477 3.836 20 30 FHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c(F)c1 ZINC000580509020 930776675 /nfs/dbraw/zinc/77/66/75/930776675.db2.gz OZTDGLMFACVETM-LAUBAEHRSA-N 1 0 372.415 3.678 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000579749091 930932777 /nfs/dbraw/zinc/93/27/77/930932777.db2.gz MPKLULQGMAFVPE-YWZLYKJASA-N 1 0 366.465 3.688 20 30 FHEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1cn(-c2ccccc2F)nc1C ZINC000656262444 930943162 /nfs/dbraw/zinc/94/31/62/930943162.db2.gz VQYGMYDLGRKZCS-UHFFFAOYSA-N 1 0 369.440 3.983 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(Cl)sc2Cl)cc1 ZINC000580640786 930962722 /nfs/dbraw/zinc/96/27/22/930962722.db2.gz FJQNDEHEVURLIX-CYBMUJFWSA-N 1 0 371.289 3.650 20 30 FHEDRO Cc1c(C#N)c(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)n2ccccc12 ZINC000891316385 931054040 /nfs/dbraw/zinc/05/40/40/931054040.db2.gz RIMVZVOBOAZCTA-UHFFFAOYSA-N 1 0 373.460 3.678 20 30 FHEDRO C=CCCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000471620634 931209574 /nfs/dbraw/zinc/20/95/74/931209574.db2.gz QQBIXCVEXOPXDN-QGZVFWFLSA-N 1 0 350.528 3.868 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000119327479 931217666 /nfs/dbraw/zinc/21/76/66/931217666.db2.gz PXCZEYGWLOEBRI-LBPRGKRZSA-N 1 0 358.239 3.610 20 30 FHEDRO CCCOc1ncccc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160693720 931367167 /nfs/dbraw/zinc/36/71/67/931367167.db2.gz YCYCXFLLTFPABT-UHFFFAOYSA-N 1 0 368.359 3.696 20 30 FHEDRO CN(C)[C@@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000581019511 931474788 /nfs/dbraw/zinc/47/47/88/931474788.db2.gz GEEJDGVCUNMDJJ-TZIWHRDSSA-N 1 0 367.880 3.510 20 30 FHEDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000255955594 931516175 /nfs/dbraw/zinc/51/61/75/931516175.db2.gz SMCHERXFBMMJLJ-RVKKMQEKSA-N 1 0 366.427 3.587 20 30 FHEDRO [NH2+]=C(NCC1(CCO)CCCCC1)Nc1ccccc1OC(F)(F)F ZINC000160750794 931530665 /nfs/dbraw/zinc/53/06/65/931530665.db2.gz MRTYWXPRTXVGNQ-UHFFFAOYSA-N 1 0 359.392 3.645 20 30 FHEDRO N#Cc1csc(C[NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)n1 ZINC000581099751 931560004 /nfs/dbraw/zinc/56/00/04/931560004.db2.gz GMGWCUGHOXEIDP-UHFFFAOYSA-N 1 0 355.360 3.994 20 30 FHEDRO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000581149350 931619997 /nfs/dbraw/zinc/61/99/97/931619997.db2.gz DQZQPBIUCIHFPM-PMACEKPBSA-N 1 0 367.468 3.513 20 30 FHEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000581161318 931625409 /nfs/dbraw/zinc/62/54/09/931625409.db2.gz UMRLJUGNTHFIKZ-ACJLOTCBSA-N 1 0 352.434 3.922 20 30 FHEDRO C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000581208367 931675953 /nfs/dbraw/zinc/67/59/53/931675953.db2.gz ODWSZNLQMXWUJE-RHSMWYFYSA-N 1 0 365.437 3.514 20 30 FHEDRO N#Cc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C(N)=O)cc1 ZINC000581300577 931800911 /nfs/dbraw/zinc/80/09/11/931800911.db2.gz VPDBAZVVHDIBQH-QRQLOZEOSA-N 1 0 353.853 3.664 20 30 FHEDRO CCC[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000581305532 931808652 /nfs/dbraw/zinc/80/86/52/931808652.db2.gz MHIMWGLGMLUTHL-YOEHRIQHSA-N 1 0 358.313 3.631 20 30 FHEDRO N#Cc1cccnc1N1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000610504282 932000771 /nfs/dbraw/zinc/00/07/71/932000771.db2.gz FYBHSIHBXANXBV-UHFFFAOYSA-N 1 0 374.410 3.727 20 30 FHEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000581421814 932024384 /nfs/dbraw/zinc/02/43/84/932024384.db2.gz FGBABFNEPNPMIL-RXVVDRJESA-N 1 0 366.509 3.979 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000891395183 932051487 /nfs/dbraw/zinc/05/14/87/932051487.db2.gz VNZMXNSLNDEFLO-IBGZPJMESA-N 1 0 368.506 3.598 20 30 FHEDRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000178059130 932244434 /nfs/dbraw/zinc/24/44/34/932244434.db2.gz QULWCCQCTNIEBZ-SFHVURJKSA-N 1 0 351.450 3.652 20 30 FHEDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000510435162 932288337 /nfs/dbraw/zinc/28/83/37/932288337.db2.gz IZLVETVWMLQSJG-UHFFFAOYSA-N 1 0 371.525 3.840 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1nc(C(F)(F)F)co1)C(C)C ZINC000656662127 932288379 /nfs/dbraw/zinc/28/83/79/932288379.db2.gz JDTIHQVAUFXIHT-GFCCVEGCSA-N 1 0 360.380 3.514 20 30 FHEDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000127252277 932474838 /nfs/dbraw/zinc/47/48/38/932474838.db2.gz NMBOSXBOLCDYHO-QGZVFWFLSA-N 1 0 368.506 3.679 20 30 FHEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000581717346 932551753 /nfs/dbraw/zinc/55/17/53/932551753.db2.gz VTFPOWISKRRIIM-NHUPUQRLSA-N 1 0 353.510 3.770 20 30 FHEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(OC)c1 ZINC000078926218 932559383 /nfs/dbraw/zinc/55/93/83/932559383.db2.gz UORCRXLNQRAISZ-INIZCTEOSA-N 1 0 353.466 3.904 20 30 FHEDRO CCOc1cc2c(cc1NC(=O)N1CCC[C@@H]([NH+]3CCCC3)C1)O[C@@H](C)C2 ZINC000328812335 932562797 /nfs/dbraw/zinc/56/27/97/932562797.db2.gz OUSGNIBQKZMKPM-DOTOQJQBSA-N 1 0 373.497 3.514 20 30 FHEDRO CC[N@H+](CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000538067371 932698602 /nfs/dbraw/zinc/69/86/02/932698602.db2.gz BXIYLZZTZQGYJG-UHFFFAOYSA-N 1 0 362.477 3.509 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000134647340 932766194 /nfs/dbraw/zinc/76/61/94/932766194.db2.gz NXJGZIVEAQXJAN-FUHWJXTLSA-N 1 0 373.497 3.705 20 30 FHEDRO C=CC[C@H](NC(=O)N(CC[NH3+])Cc1cccc(Cl)c1)c1ccncc1 ZINC000891563182 932769384 /nfs/dbraw/zinc/76/93/84/932769384.db2.gz ALVBLJOBQAJWLQ-SFHVURJKSA-N 1 0 358.873 3.523 20 30 FHEDRO CON=Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000255373534 932864313 /nfs/dbraw/zinc/86/43/13/932864313.db2.gz KQLCGJISPUPAGC-MJGOQNOKSA-N 1 0 371.506 3.541 20 30 FHEDRO C[C@@H]([NH2+]C1(CNC(=O)NCC2(CC#N)CC2)CCCC1)c1ccccc1 ZINC000430681441 932895445 /nfs/dbraw/zinc/89/54/45/932895445.db2.gz VHKPUFVTUPHVPB-QGZVFWFLSA-N 1 0 354.498 3.643 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)Cc2cc(C#N)cs2)cc1 ZINC000891638965 932904178 /nfs/dbraw/zinc/90/41/78/932904178.db2.gz OSTXDYBPKTXXCX-UHFFFAOYSA-N 1 0 370.522 3.803 20 30 FHEDRO N#Cc1cccc(NC(=O)CCN2CC[C@@](F)(c3ccccc3F)C2)c1 ZINC000581896558 932914783 /nfs/dbraw/zinc/91/47/83/932914783.db2.gz JEQGIUMDYXTUED-FQEVSTJZSA-N 1 0 355.388 3.597 20 30 FHEDRO C=CCOc1cccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000510487939 932922965 /nfs/dbraw/zinc/92/29/65/932922965.db2.gz DGCKFFVOCAXQGR-UHFFFAOYSA-N 1 0 353.466 3.895 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000581978577 933219850 /nfs/dbraw/zinc/21/98/50/933219850.db2.gz FYCRPBYDQSGJTI-HXUWFJFHSA-N 1 0 351.406 3.903 20 30 FHEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000430874884 933352371 /nfs/dbraw/zinc/35/23/71/933352371.db2.gz IUVOBGDPHBYKQA-IBGZPJMESA-N 1 0 350.462 3.736 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1cc(C#N)cs1 ZINC000891814157 933434710 /nfs/dbraw/zinc/43/47/10/933434710.db2.gz APIBKJXBZARLJB-UHFFFAOYSA-N 1 0 370.522 3.802 20 30 FHEDRO C[C@H]1C[C@@H](CCNC(=O)Nc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510719466 933517181 /nfs/dbraw/zinc/51/71/81/933517181.db2.gz KYNKTNBBBWYZKB-FXAWDEMLSA-N 1 0 362.477 3.980 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)cc1Cl ZINC000091952053 933736244 /nfs/dbraw/zinc/73/62/44/933736244.db2.gz SVPYOYQSLSKVOX-UHFFFAOYSA-N 1 0 364.917 3.984 20 30 FHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000471927183 933834786 /nfs/dbraw/zinc/83/47/86/933834786.db2.gz ADJCPGXNMZEEGK-ZWKOTPCHSA-N 1 0 354.841 3.779 20 30 FHEDRO N#Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)ccc1F ZINC000510840459 933839921 /nfs/dbraw/zinc/83/99/21/933839921.db2.gz DFNRQKUBMAIZPQ-KRWDZBQOSA-N 1 0 373.378 3.793 20 30 FHEDRO COc1ccccc1C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)C(C)C ZINC000178398493 933870808 /nfs/dbraw/zinc/87/08/08/933870808.db2.gz LWSJSEQXGNZOJR-JXFKEZNVSA-N 1 0 365.477 3.751 20 30 FHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCC#Cc2cccc(F)c2)c1 ZINC000510879443 933928210 /nfs/dbraw/zinc/92/82/10/933928210.db2.gz FXWIWKGKUCFNMV-UHFFFAOYSA-N 1 0 367.468 3.518 20 30 FHEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+][C@H](C)C(=O)NC1(C#N)CCC1 ZINC000559386632 934176261 /nfs/dbraw/zinc/17/62/61/934176261.db2.gz PMRNMYDCADXBRL-BEFAXECRSA-N 1 0 361.917 3.838 20 30 FHEDRO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000510944398 934207339 /nfs/dbraw/zinc/20/73/39/934207339.db2.gz JVYPNLRDUWBTBU-YADHBBJMSA-N 1 0 361.489 3.833 20 30 FHEDRO C[NH+](C)CCOc1cc(CNc2ccc(C#N)cc2C(F)(F)F)ccn1 ZINC000535692663 934287553 /nfs/dbraw/zinc/28/75/53/934287553.db2.gz LERNCEFOPJVLCH-UHFFFAOYSA-N 1 0 364.371 3.525 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176137775 934300288 /nfs/dbraw/zinc/30/02/88/934300288.db2.gz UNSCXLCISKASPN-GCJKJVERSA-N 1 0 361.489 3.660 20 30 FHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1OC ZINC000458194357 934366861 /nfs/dbraw/zinc/36/68/61/934366861.db2.gz AHQMOHJGEYQMNQ-UHFFFAOYSA-N 1 0 374.506 3.526 20 30 FHEDRO Cc1cc(C)cc(C2=CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000535793441 934386052 /nfs/dbraw/zinc/38/60/52/934386052.db2.gz ZRAYNPCBFSFODL-AVRDEDQJSA-N 1 0 353.510 3.836 20 30 FHEDRO N#CCN1CCC([NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000610812926 934485487 /nfs/dbraw/zinc/48/54/87/934485487.db2.gz PNDHRRLSUCAUNU-QGZVFWFLSA-N 1 0 352.507 3.765 20 30 FHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C3CCN(CC#N)CC3)s2)cc1 ZINC000610813967 934504456 /nfs/dbraw/zinc/50/44/56/934504456.db2.gz XDSGTBXLWPVOIX-CQSZACIVSA-N 1 0 370.522 3.766 20 30 FHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000610915982 934623543 /nfs/dbraw/zinc/62/35/43/934623543.db2.gz DHWQBYIVUPCTFL-GOSISDBHSA-N 1 0 360.523 3.904 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065202264 934636956 /nfs/dbraw/zinc/63/69/56/934636956.db2.gz GWKXBSKSWNEWQM-QGZVFWFLSA-N 1 0 350.422 3.791 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(Cc3cccc(Cl)c3)CC2)CC1 ZINC000458319304 934694767 /nfs/dbraw/zinc/69/47/67/934694767.db2.gz FMSUNPOPHJMBDS-UHFFFAOYSA-N 1 0 361.917 3.612 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)CC1 ZINC000458322559 934708460 /nfs/dbraw/zinc/70/84/60/934708460.db2.gz OKUAMGMRKXXZPK-KESTWPANSA-N 1 0 371.525 3.623 20 30 FHEDRO N#Cc1cc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)ccn1 ZINC000610993650 934729284 /nfs/dbraw/zinc/72/92/84/934729284.db2.gz YNDWXHKPWKDYTL-UHFFFAOYSA-N 1 0 372.266 3.511 20 30 FHEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2ccnc(C#N)c2)cc1OC ZINC000610992264 934735040 /nfs/dbraw/zinc/73/50/40/934735040.db2.gz OZUXBVAPVVITAA-HXUWFJFHSA-N 1 0 365.477 3.958 20 30 FHEDRO N#Cc1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)ccn1 ZINC000610993308 934737751 /nfs/dbraw/zinc/73/77/51/934737751.db2.gz KNHSTJGADGHXAQ-INIZCTEOSA-N 1 0 363.396 3.522 20 30 FHEDRO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000610993296 934737761 /nfs/dbraw/zinc/73/77/61/934737761.db2.gz KLFMAPVFTZVRCM-INIZCTEOSA-N 1 0 351.450 3.806 20 30 FHEDRO C=C(C)[C@H](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)OCC ZINC000535910098 934782003 /nfs/dbraw/zinc/78/20/03/934782003.db2.gz MLCHNTBCRPZOMY-RTWAWAEBSA-N 1 0 374.525 3.710 20 30 FHEDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000156625310 934815089 /nfs/dbraw/zinc/81/50/89/934815089.db2.gz ZXLALBMFPWKGHU-LMKMVOKYSA-N 1 0 356.491 3.758 20 30 FHEDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000156625449 934815771 /nfs/dbraw/zinc/81/57/71/934815771.db2.gz ZXLALBMFPWKGHU-CPJLOUKISA-N 1 0 356.491 3.758 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084319339 934827171 /nfs/dbraw/zinc/82/71/71/934827171.db2.gz IEEGVXGIVNJIFG-UHFFFAOYSA-N 1 0 372.494 3.614 20 30 FHEDRO C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156661169 934838793 /nfs/dbraw/zinc/83/87/93/934838793.db2.gz NUUMTMKQPXMRGS-YSZBQJHXSA-N 1 0 363.505 3.577 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000538685276 934887693 /nfs/dbraw/zinc/88/76/93/934887693.db2.gz SCKQLTLHNIFKSD-MGPUTAFESA-N 1 0 367.880 3.852 20 30 FHEDRO C[C@@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000431288994 934889827 /nfs/dbraw/zinc/88/98/27/934889827.db2.gz VJYLVBRFEPLTHM-ICSRJNTNSA-N 1 0 356.514 3.841 20 30 FHEDRO CC[NH+]1CCC(CCNC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000431293675 934903399 /nfs/dbraw/zinc/90/33/99/934903399.db2.gz GCCUIFXMWZYDGB-HXUWFJFHSA-N 1 0 356.514 3.843 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)NCC2(CC#N)CC2)[NH+](CC)CC)cc1 ZINC000431307392 934968498 /nfs/dbraw/zinc/96/84/98/934968498.db2.gz GDYJODZSRBLWDL-LJQANCHMSA-N 1 0 356.514 3.625 20 30 FHEDRO Cc1ccccc1[C@H](C(C)C)N(C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478031927 935012764 /nfs/dbraw/zinc/01/27/64/935012764.db2.gz HVLOOHJURINYIQ-NRFANRHFSA-N 1 0 370.518 3.970 20 30 FHEDRO C#Cc1cccc(NC(=S)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000728453079 935028237 /nfs/dbraw/zinc/02/82/37/935028237.db2.gz HMZZTJLUQVPASG-HXUWFJFHSA-N 1 0 363.530 3.519 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]C2CC(F)(F)C2)cc1OC ZINC000277379239 935042523 /nfs/dbraw/zinc/04/25/23/935042523.db2.gz CJYFOKONUJZWFB-UHFFFAOYSA-N 1 0 362.214 3.910 20 30 FHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000157520824 935085980 /nfs/dbraw/zinc/08/59/80/935085980.db2.gz GNXKRIVPXLURTM-OCCSQVGLSA-N 1 0 371.485 3.706 20 30 FHEDRO C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001125578778 935117654 /nfs/dbraw/zinc/11/76/54/935117654.db2.gz XYJKMHMEEFTORU-UHFFFAOYSA-N 1 0 354.425 3.680 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+]CC3(c4ccc(Cl)cc4)CCCC3)cnc12 ZINC000582017599 935136340 /nfs/dbraw/zinc/13/63/40/935136340.db2.gz UQZJNUACVUBVLR-UHFFFAOYSA-N 1 0 365.868 3.856 20 30 FHEDRO C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H]1C[NH3+] ZINC000415006174 945082091 /nfs/dbraw/zinc/08/20/91/945082091.db2.gz KBTFVWIAMYCTKD-BEFAXECRSA-N 1 0 364.449 3.942 20 30 FHEDRO CC[N@H+](Cc1ccccc1OCC(=O)N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000119869911 935306768 /nfs/dbraw/zinc/30/67/68/935306768.db2.gz YMBFIFSGWNUVPM-KRWDZBQOSA-N 1 0 365.477 3.608 20 30 FHEDRO N#CCc1ccc(CNC(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000892203247 935328301 /nfs/dbraw/zinc/32/83/01/935328301.db2.gz VJNQYNFNUMMGPT-FPOVZHCZSA-N 1 0 368.525 3.582 20 30 FHEDRO CC(C)[C@@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000551714084 935333001 /nfs/dbraw/zinc/33/30/01/935333001.db2.gz RYVBWBXLWOTYRM-OAQYLSRUSA-N 1 0 365.452 3.790 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1ccsc1 ZINC000119955280 935361437 /nfs/dbraw/zinc/36/14/37/935361437.db2.gz JWGBILSGMPDSCI-MRXNPFEDSA-N 1 0 363.433 3.711 20 30 FHEDRO C[C@@](C#N)(NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C1CCCCC1 ZINC000559595747 935372245 /nfs/dbraw/zinc/37/22/45/935372245.db2.gz FVBGPNRUVMXYOQ-NRFANRHFSA-N 1 0 371.550 3.828 20 30 FHEDRO C[NH+](C)C1(CNC(=O)N[C@H](CCC#N)c2ccccc2)CCCCCC1 ZINC000438837986 945097655 /nfs/dbraw/zinc/09/76/55/945097655.db2.gz JLJPBCOTRCNUSS-LJQANCHMSA-N 1 0 356.514 3.985 20 30 FHEDRO N#Cc1ccc(OCCC[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000051531709 935433994 /nfs/dbraw/zinc/43/39/94/935433994.db2.gz SYUGIOGEWUGFJR-JOCHJYFZSA-N 1 0 350.462 3.773 20 30 FHEDRO CC[C@@H]1CN(c2c(C#N)nnc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000582270746 935471650 /nfs/dbraw/zinc/47/16/50/935471650.db2.gz RDHKMUFBBPMGKM-GOSISDBHSA-N 1 0 357.461 3.602 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)Sc1ccc(Br)cc1 ZINC000190990968 945108904 /nfs/dbraw/zinc/10/89/04/945108904.db2.gz RLOXCPXLXQJRJH-LBPRGKRZSA-N 1 0 364.312 3.930 20 30 FHEDRO N#CCc1ccsc1C(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC000892260733 935686236 /nfs/dbraw/zinc/68/62/36/935686236.db2.gz CIFONTLYIWYOQQ-MOPGFXCFSA-N 1 0 365.502 3.696 20 30 FHEDRO N#Cc1ccc(Cl)cc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000562043924 935703615 /nfs/dbraw/zinc/70/36/15/935703615.db2.gz KSUCXFNFNUTMFB-IBGZPJMESA-N 1 0 356.853 3.882 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C#N)c(F)c1)c1ccsc1 ZINC000582456348 935734002 /nfs/dbraw/zinc/73/40/02/935734002.db2.gz NHBSFDNJMZSJHX-QGZVFWFLSA-N 1 0 360.458 3.963 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473856110 945125132 /nfs/dbraw/zinc/12/51/32/945125132.db2.gz UWEPUPQXJJHWNC-PKTZIBPZSA-N 1 0 370.537 3.730 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000582472818 935758547 /nfs/dbraw/zinc/75/85/47/935758547.db2.gz CROKGJJEIILVIJ-YPVJZLTNSA-N 1 0 359.473 3.613 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)Nc2cccc(C#N)c2C)[NH+]2CCCC2)o1 ZINC000178585130 935761820 /nfs/dbraw/zinc/76/18/20/935761820.db2.gz HGPCGZZIRNRFGT-GOSISDBHSA-N 1 0 352.438 3.727 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000097036505 935770391 /nfs/dbraw/zinc/77/03/91/935770391.db2.gz QQQJECFFDDHKDJ-KRWDZBQOSA-N 1 0 356.401 3.639 20 30 FHEDRO C=CCCn1cc(C[NH2+]CC2(OC)CCC(c3ccccc3)CC2)nn1 ZINC000657466214 935826877 /nfs/dbraw/zinc/82/68/77/935826877.db2.gz QTIYXGYRAZMEBC-UHFFFAOYSA-N 1 0 354.498 3.687 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000479462626 935839289 /nfs/dbraw/zinc/83/92/89/935839289.db2.gz IDNHFWXHUPUNGT-HSZRJFAPSA-N 1 0 372.468 3.830 20 30 FHEDRO N#Cc1ccccc1Cn1cccc1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000187754334 935845501 /nfs/dbraw/zinc/84/55/01/935845501.db2.gz VBQDKOIHPBVVND-UHFFFAOYSA-N 1 0 367.456 3.884 20 30 FHEDRO C=CCCn1cc(C[NH2+]CCc2ccc(Br)cc2Cl)nn1 ZINC000657477181 935847409 /nfs/dbraw/zinc/84/74/09/935847409.db2.gz YAKJWZGGWMEHQD-UHFFFAOYSA-N 1 0 369.694 3.602 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000479679888 935876208 /nfs/dbraw/zinc/87/62/08/935876208.db2.gz WCAWHIBMAGFRIX-KRWDZBQOSA-N 1 0 354.498 3.501 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000152954535 935885669 /nfs/dbraw/zinc/88/56/69/935885669.db2.gz CLTOXWXWTKCGHJ-MRXNPFEDSA-N 1 0 356.514 3.662 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000152954433 935891328 /nfs/dbraw/zinc/89/13/28/935891328.db2.gz CLTOXWXWTKCGHJ-INIZCTEOSA-N 1 0 356.514 3.662 20 30 FHEDRO C#CCOc1ccc(C[NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)cc1 ZINC000237287760 935894488 /nfs/dbraw/zinc/89/44/88/935894488.db2.gz OSCPNIVNHIPMIC-HSZRJFAPSA-N 1 0 364.489 3.634 20 30 FHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000479962766 935927802 /nfs/dbraw/zinc/92/78/02/935927802.db2.gz SWGNODFROSPUFK-GOSISDBHSA-N 1 0 362.477 3.716 20 30 FHEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000472251228 936022008 /nfs/dbraw/zinc/02/20/08/936022008.db2.gz SLQHAFYBUKODEP-MRXNPFEDSA-N 1 0 361.917 3.745 20 30 FHEDRO CCN(CC)C(=O)CCC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000543869937 945142069 /nfs/dbraw/zinc/14/20/69/945142069.db2.gz JNWYNCDSQDMLJD-UHFFFAOYSA-N 1 0 371.525 3.688 20 30 FHEDRO C=C(C)[C@@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccc(F)c(F)c1 ZINC000187768193 936106445 /nfs/dbraw/zinc/10/64/45/936106445.db2.gz HPJCIBWQJDYNIG-LJQANCHMSA-N 1 0 355.388 3.582 20 30 FHEDRO C=CCC1([NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOCC1 ZINC000657633275 936127895 /nfs/dbraw/zinc/12/78/95/936127895.db2.gz LBIWLPCAIMSENQ-UHFFFAOYSA-N 1 0 364.283 3.940 20 30 FHEDRO C=CCOc1c(Cl)cc(CN2CCC[C@@H](n3ccnc3)C2)cc1OC ZINC000628162530 936149064 /nfs/dbraw/zinc/14/90/64/936149064.db2.gz UIXTXPJEATTZMG-MRXNPFEDSA-N 1 0 361.873 3.947 20 30 FHEDRO N#Cc1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000582817716 936168378 /nfs/dbraw/zinc/16/83/78/936168378.db2.gz FMNWTHNBJAFDTN-UHFFFAOYSA-N 1 0 354.385 3.682 20 30 FHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCSCC#N)[C@H]2CCCC[C@H]12 ZINC000439985825 945154232 /nfs/dbraw/zinc/15/42/32/945154232.db2.gz WCBZFLRKDLTZFI-QTMHVTGLSA-N 1 0 365.587 3.817 20 30 FHEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc(Br)c1O ZINC000078878063 936301168 /nfs/dbraw/zinc/30/11/68/936301168.db2.gz RELPBHORAXPBIG-NSHDSACASA-N 1 0 361.239 3.886 20 30 FHEDRO CCC[N@H+](CCOc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000507346266 945159971 /nfs/dbraw/zinc/15/99/71/945159971.db2.gz GRSGNPUOSPBZBA-KRWDZBQOSA-N 1 0 351.450 3.676 20 30 FHEDRO CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000329154117 938270013 /nfs/dbraw/zinc/27/00/13/938270013.db2.gz AKUYGQCVAGQKRA-SJORKVTESA-N 1 0 368.481 3.966 20 30 FHEDRO Cc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccccc2)cc1[N+](=O)[O-] ZINC000127692219 938281217 /nfs/dbraw/zinc/28/12/17/938281217.db2.gz RTEPGXDOTBSVHL-UHFFFAOYSA-O 1 0 372.470 3.518 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000329180643 938281346 /nfs/dbraw/zinc/28/13/46/938281346.db2.gz OKDSYJBUKKNKKO-MRXNPFEDSA-N 1 0 358.873 3.847 20 30 FHEDRO CC(C)C[C@H](CNC(=O)N(C)CC(C)(C)C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000458573256 938293467 /nfs/dbraw/zinc/29/34/67/938293467.db2.gz XAIKGYHRYOMUKX-PKOBYXMFSA-N 1 0 358.530 3.943 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000329275936 938312186 /nfs/dbraw/zinc/31/21/86/938312186.db2.gz BVSKDZLZKKTXJS-OXQOHEQNSA-N 1 0 352.482 3.846 20 30 FHEDRO Cc1[nH]c2ccccc2c1C1=CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329301904 938332972 /nfs/dbraw/zinc/33/29/72/938332972.db2.gz NEFSEUCVTSARRK-KRWDZBQOSA-N 1 0 364.493 3.716 20 30 FHEDRO COc1ccccc1[C@@H](CNc1nnc(C)c(C)c1C#N)[NH+]1CCCCC1 ZINC000052486017 938336360 /nfs/dbraw/zinc/33/63/60/938336360.db2.gz OAGNULHWYJIJQZ-LJQANCHMSA-N 1 0 365.481 3.613 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1OC ZINC000246084764 938337357 /nfs/dbraw/zinc/33/73/57/938337357.db2.gz IENRPZOEVYBCOQ-IEBWSBKVSA-N 1 0 355.482 3.930 20 30 FHEDRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000329306362 938338257 /nfs/dbraw/zinc/33/82/57/938338257.db2.gz YSFXSESDWLLAKD-LJQANCHMSA-N 1 0 360.546 3.613 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCOC(C)(C)C1 ZINC000583662465 938347656 /nfs/dbraw/zinc/34/76/56/938347656.db2.gz DTYYDUFZYNIKKL-INIZCTEOSA-N 1 0 363.889 3.820 20 30 FHEDRO C[C@H]1C[C@@H](N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000583675942 938353131 /nfs/dbraw/zinc/35/31/31/938353131.db2.gz NGPPHDPXRCEYFL-JXFKEZNVSA-N 1 0 364.449 3.956 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000158784812 938358483 /nfs/dbraw/zinc/35/84/83/938358483.db2.gz KOUUGUXJODIONQ-LJQANCHMSA-N 1 0 363.461 3.825 20 30 FHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000329342684 938360200 /nfs/dbraw/zinc/36/02/00/938360200.db2.gz PRZUFWMFJKWXOO-LZWOXQAQSA-N 1 0 350.425 3.691 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246476559 938368090 /nfs/dbraw/zinc/36/80/90/938368090.db2.gz OQZFBNHELOGBHC-OAGGEKHMSA-N 1 0 358.511 3.781 20 30 FHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000583739927 938386373 /nfs/dbraw/zinc/38/63/73/938386373.db2.gz QFJOESGPMDGAPQ-VQTJNVASSA-N 1 0 353.510 3.823 20 30 FHEDRO CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000583799799 938419139 /nfs/dbraw/zinc/41/91/39/938419139.db2.gz BYGBDZXNOIZFQE-WMZOPIPTSA-N 1 0 368.868 3.821 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1OCCCC#N ZINC000583813498 938429655 /nfs/dbraw/zinc/42/96/55/938429655.db2.gz WHKXYJRVAZFTKP-IBGZPJMESA-N 1 0 351.450 3.762 20 30 FHEDRO CC[NH+]1CCN(c2ccc(CNc3cccc(C(F)F)c3C#N)cn2)CC1 ZINC000583882609 938468735 /nfs/dbraw/zinc/46/87/35/938468735.db2.gz NIBIYKBAJGXZEC-UHFFFAOYSA-N 1 0 371.435 3.645 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000158186798 938473761 /nfs/dbraw/zinc/47/37/61/938473761.db2.gz OVOPLNNLCJSMAK-HOTGVXAUSA-N 1 0 360.527 3.744 20 30 FHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329573363 938491354 /nfs/dbraw/zinc/49/13/54/938491354.db2.gz NJTWDOGYMPJFPW-HUUCEWRRSA-N 1 0 372.538 3.645 20 30 FHEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472308398 938492307 /nfs/dbraw/zinc/49/23/07/938492307.db2.gz FKSZDPOVIZRBEQ-FQEVSTJZSA-N 1 0 367.493 3.542 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000573013741 938493948 /nfs/dbraw/zinc/49/39/48/938493948.db2.gz ZEIWTJKXYZWHMP-SFHVURJKSA-N 1 0 351.416 3.942 20 30 FHEDRO CC[NH+]1CCN(c2ccc(Nc3ccc(C#N)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000248110872 938540123 /nfs/dbraw/zinc/54/01/23/938540123.db2.gz NLJLUBWBQWBTMH-UHFFFAOYSA-N 1 0 365.437 3.660 20 30 FHEDRO Cc1nc(C(C)(C)C)sc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329640776 938568369 /nfs/dbraw/zinc/56/83/69/938568369.db2.gz ZMSRZXNMTZEYEH-AWEZNQCLSA-N 1 0 365.543 3.555 20 30 FHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)C2)CC1 ZINC000458794937 938591818 /nfs/dbraw/zinc/59/18/18/938591818.db2.gz BTWOCFZLGFSDGS-SFTDATJTSA-N 1 0 368.525 3.795 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000458793886 938593589 /nfs/dbraw/zinc/59/35/89/938593589.db2.gz ADFMTCHQBOGYIY-UXHICEINSA-N 1 0 354.498 3.691 20 30 FHEDRO N#Cc1cccc(C2([NH2+]CCC(=O)N[C@H]3CCCc4ccccc43)CC2)c1 ZINC000584099463 938598260 /nfs/dbraw/zinc/59/82/60/938598260.db2.gz FGHDQFPUMGBIRX-NRFANRHFSA-N 1 0 359.473 3.721 20 30 FHEDRO CCOCCC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCC1 ZINC000278639493 938612059 /nfs/dbraw/zinc/61/20/59/938612059.db2.gz LGTIVQSGWCRODB-UHFFFAOYSA-N 1 0 367.497 3.545 20 30 FHEDRO C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278721910 938685709 /nfs/dbraw/zinc/68/57/09/938685709.db2.gz SUPBERIJWWZEJK-FXAWDEMLSA-N 1 0 367.497 3.544 20 30 FHEDRO CCc1nc(Cl)c(C)c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000080765936 938702307 /nfs/dbraw/zinc/70/23/07/938702307.db2.gz DRTCIXZWBDPPRA-UHFFFAOYSA-N 1 0 369.900 3.585 20 30 FHEDRO N#Cc1csc(C[NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000084051635 938817923 /nfs/dbraw/zinc/81/79/23/938817923.db2.gz MYBSUIIESJCURA-UHFFFAOYSA-N 1 0 360.792 3.889 20 30 FHEDRO CC(C)N(CC(=O)N(CCC#N)c1ccccc1)Cc1cccc(F)c1 ZINC000516745597 945209858 /nfs/dbraw/zinc/20/98/58/945209858.db2.gz XOZZUWJESAWODU-UHFFFAOYSA-N 1 0 353.441 3.983 20 30 FHEDRO [NH2+]=C(NC[C@@H]1CCOc2ccccc21)Nc1cccc(OC(F)(F)F)c1 ZINC000262415908 938970227 /nfs/dbraw/zinc/97/02/27/938970227.db2.gz YXAANVKBDSDJRA-LBPRGKRZSA-N 1 0 365.355 3.878 20 30 FHEDRO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000685550873 938999039 /nfs/dbraw/zinc/99/90/39/938999039.db2.gz MBTDXSOYSGJSBX-APWZRJJASA-N 1 0 371.504 3.745 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472355639 939020086 /nfs/dbraw/zinc/02/00/86/939020086.db2.gz YIZNSMYMRBNWQX-QWFCFKBJSA-N 1 0 353.510 3.671 20 30 FHEDRO C=CCc1cc(C[N@@H+]2CCc3cccc(OC)c3CC2)cc(OC)c1O ZINC000426565301 945221793 /nfs/dbraw/zinc/22/17/93/945221793.db2.gz MWAWPTMASZPEQM-UHFFFAOYSA-N 1 0 353.462 3.739 20 30 FHEDRO N#Cc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612132619 939123030 /nfs/dbraw/zinc/12/30/30/939123030.db2.gz ZSJKRJOWUKIMCC-BHDDXSALSA-N 1 0 359.473 3.589 20 30 FHEDRO COc1ccc([C@H](C/N=C\c2cc(Cl)ccc2O)[NH+](C)C)cc1OC ZINC000255756155 939166455 /nfs/dbraw/zinc/16/64/55/939166455.db2.gz NRBSJTVXQGTGIU-SJJOQSKNSA-N 1 0 362.857 3.785 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000507429962 945232133 /nfs/dbraw/zinc/23/21/33/945232133.db2.gz QXRFUCCNWAZPLL-DJJJIMSYSA-N 1 0 355.388 3.683 20 30 FHEDRO CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000507446145 945240637 /nfs/dbraw/zinc/24/06/37/945240637.db2.gz DLRGDZWQNOSROE-RBUKOAKNSA-N 1 0 363.461 3.950 20 30 FHEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(-n2cccn2)c(F)c1 ZINC000550287167 945242419 /nfs/dbraw/zinc/24/24/19/945242419.db2.gz FGSDXQLCRUTKQV-INIZCTEOSA-N 1 0 356.445 3.763 20 30 FHEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@]3(C#N)CC34CCCC4)C2)s1 ZINC000516777189 945246615 /nfs/dbraw/zinc/24/66/15/945246615.db2.gz PCMWAURTQDHLHI-UTKZUKDTSA-N 1 0 371.550 3.811 20 30 FHEDRO COc1cccc(O[C@@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000516795870 945253906 /nfs/dbraw/zinc/25/39/06/945253906.db2.gz NCJJKEUHBGWKEV-KRWDZBQOSA-N 1 0 365.477 3.593 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000507471899 945257810 /nfs/dbraw/zinc/25/78/10/945257810.db2.gz CMLFFPALJFKMNX-UHFFFAOYSA-N 1 0 373.422 3.772 20 30 FHEDRO C[N@H+](CC(=O)Nc1ccccc1Br)CC(C)(C)CCC#N ZINC000506767586 945260263 /nfs/dbraw/zinc/26/02/63/945260263.db2.gz PABACJVXWHUFLF-UHFFFAOYSA-N 1 0 352.276 3.649 20 30 FHEDRO C=CCOc1cccc(C[NH2+]C[C@H](C)N2CCN(c3ccccc3)CC2)c1 ZINC000518266145 945269013 /nfs/dbraw/zinc/26/90/13/945269013.db2.gz MRHPNYFVCBNRRE-FQEVSTJZSA-N 1 0 365.521 3.552 20 30 FHEDRO C=CCOCCN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000549520641 945274544 /nfs/dbraw/zinc/27/45/44/945274544.db2.gz YATVHXRAEVHCJI-UHFFFAOYSA-N 1 0 356.432 3.804 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000179697246 939923330 /nfs/dbraw/zinc/92/33/30/939923330.db2.gz ZQQWZLSPNDBDMR-HXOBKFHXSA-N 1 0 373.456 3.916 20 30 FHEDRO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000179779568 939934819 /nfs/dbraw/zinc/93/48/19/939934819.db2.gz IHAZVNOIZQHJIX-IBGZPJMESA-N 1 0 360.461 3.511 20 30 FHEDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000728610741 939974621 /nfs/dbraw/zinc/97/46/21/939974621.db2.gz LMOGWUOHVQFZMM-FQEVSTJZSA-N 1 0 351.450 3.667 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000458806216 939992981 /nfs/dbraw/zinc/99/29/81/939992981.db2.gz VUZDXAANWGJJMH-ICSRJNTNSA-N 1 0 354.498 3.549 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000519285614 945288227 /nfs/dbraw/zinc/28/82/27/945288227.db2.gz CSACPQRCEXRYRV-UHFFFAOYSA-N 1 0 353.869 3.661 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CC(C)C)c1C#N ZINC000472428320 940056404 /nfs/dbraw/zinc/05/64/04/940056404.db2.gz FAORGSCSGXECOT-UHFFFAOYSA-N 1 0 356.470 3.534 20 30 FHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2cc(C#N)nc3ccccc32)cc1 ZINC000612449973 940075170 /nfs/dbraw/zinc/07/51/70/940075170.db2.gz VTOAHQQQCKUSNJ-HSZRJFAPSA-N 1 0 372.472 3.786 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)cc1Cl ZINC000065931312 940078848 /nfs/dbraw/zinc/07/88/48/940078848.db2.gz LTKLUQGMAJMCIQ-UHFFFAOYSA-N 1 0 359.832 3.555 20 30 FHEDRO CC(C)=C[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1(C)C ZINC000065930861 940078916 /nfs/dbraw/zinc/07/89/16/940078916.db2.gz YLHLFQBKAZDHSQ-UXHICEINSA-N 1 0 353.510 3.687 20 30 FHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000065949738 940106753 /nfs/dbraw/zinc/10/67/53/940106753.db2.gz VIJXWURQVLLZGY-OAQYLSRUSA-N 1 0 373.460 3.669 20 30 FHEDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000548936550 940113704 /nfs/dbraw/zinc/11/37/04/940113704.db2.gz HNQWNROTWKETIC-CQSZACIVSA-N 1 0 362.882 3.726 20 30 FHEDRO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1Cc2ccccc2C1 ZINC000472439076 940131150 /nfs/dbraw/zinc/13/11/50/940131150.db2.gz JFKZYAUOFOLTFZ-UHFFFAOYSA-N 1 0 357.457 3.837 20 30 FHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(Cl)cc2CC#N)CC1 ZINC000570178345 940187101 /nfs/dbraw/zinc/18/71/01/940187101.db2.gz XMZVLABCXTUVGF-UHFFFAOYSA-N 1 0 368.868 3.965 20 30 FHEDRO CC(C)OCCC[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000924551916 940197296 /nfs/dbraw/zinc/19/72/96/940197296.db2.gz XGAPOOZESBUVIE-QGZVFWFLSA-N 1 0 367.534 3.711 20 30 FHEDRO COc1ccc([C@H]2CC[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cc1 ZINC000180027169 940269697 /nfs/dbraw/zinc/26/96/97/940269697.db2.gz KPZIBKFNFIKHEO-FQEVSTJZSA-N 1 0 372.472 3.957 20 30 FHEDRO N#CC[C@@H](CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000376092903 940298189 /nfs/dbraw/zinc/29/81/89/940298189.db2.gz GNKSCDUZGPLHGT-NRFANRHFSA-N 1 0 361.489 3.855 20 30 FHEDRO N#Cc1ccc(C(F)(F)F)nc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180045616 940320522 /nfs/dbraw/zinc/32/05/22/940320522.db2.gz JFZFAPXUPXMWAG-UHFFFAOYSA-N 1 0 361.371 3.696 20 30 FHEDRO C[NH+](C)CCOc1ccc(-c2noc(/C=C/c3ccccc3C#N)n2)cc1 ZINC000612897395 940328745 /nfs/dbraw/zinc/32/87/45/940328745.db2.gz CCMZPPJDCBZMSN-FMIVXFBMSA-N 1 0 360.417 3.719 20 30 FHEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000177706793 940372192 /nfs/dbraw/zinc/37/21/92/940372192.db2.gz GDQNFXZTRRIWTO-KRWDZBQOSA-N 1 0 357.479 3.975 20 30 FHEDRO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177703643 940375526 /nfs/dbraw/zinc/37/55/26/940375526.db2.gz BMLNBANZCKVYBH-UHFFFAOYSA-N 1 0 362.458 3.581 20 30 FHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000177745703 940404220 /nfs/dbraw/zinc/40/42/20/940404220.db2.gz YBSQRXYUWOJVAZ-GOSISDBHSA-N 1 0 373.294 3.965 20 30 FHEDRO C=CC[N@H+](CC1Cc2ccccc2C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000685836955 940416021 /nfs/dbraw/zinc/41/60/21/940416021.db2.gz RKMHXGVTEYNNQY-KRWDZBQOSA-N 1 0 359.477 3.626 20 30 FHEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000579926988 940418890 /nfs/dbraw/zinc/41/88/90/940418890.db2.gz IDZDBLBOZQHNCC-KRWDZBQOSA-N 1 0 351.406 3.682 20 30 FHEDRO C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000177770007 940423185 /nfs/dbraw/zinc/42/31/85/940423185.db2.gz DWDKCGZUDCFWLE-INIZCTEOSA-N 1 0 373.497 3.887 20 30 FHEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000310701029 940451347 /nfs/dbraw/zinc/45/13/47/940451347.db2.gz FTPGRLPEMUIKBR-KSZLIROESA-N 1 0 352.519 3.737 20 30 FHEDRO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613124256 940458394 /nfs/dbraw/zinc/45/83/94/940458394.db2.gz ABISIIJHGZRQBL-WIYYLYMNSA-N 1 0 352.478 3.793 20 30 FHEDRO Cn1cc(C[NH2+]CCOc2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180094001 940470085 /nfs/dbraw/zinc/47/00/85/940470085.db2.gz RZMSYTUZWVJBNV-UHFFFAOYSA-N 1 0 366.852 3.781 20 30 FHEDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC12CCCCC2 ZINC000613188789 940480726 /nfs/dbraw/zinc/48/07/26/940480726.db2.gz DSVUFKGWYVRAIM-UYAOXDASSA-N 1 0 356.510 3.785 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)COCc1ccccc1 ZINC000180114387 940493746 /nfs/dbraw/zinc/49/37/46/940493746.db2.gz ABAFSVIOAUIPNR-SFHVURJKSA-N 1 0 374.488 3.901 20 30 FHEDRO Cc1cc(C)cc(OCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180121433 940499151 /nfs/dbraw/zinc/49/91/51/940499151.db2.gz IJTZVAMUERXIGK-UHFFFAOYSA-N 1 0 360.461 3.744 20 30 FHEDRO CC[C@@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000581461420 940504416 /nfs/dbraw/zinc/50/44/16/940504416.db2.gz ONDRBAVZGMKVIU-GOSISDBHSA-N 1 0 350.422 3.567 20 30 FHEDRO Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000427386408 945331617 /nfs/dbraw/zinc/33/16/17/945331617.db2.gz GVGBYNKNPBGTON-UHFFFAOYSA-N 1 0 367.880 3.937 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000582077415 940646041 /nfs/dbraw/zinc/64/60/41/940646041.db2.gz HSZUHQFHNNIGQO-UHFFFAOYSA-N 1 0 374.410 3.680 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(C)c2)c(OC)c1 ZINC000613381755 940652792 /nfs/dbraw/zinc/65/27/92/940652792.db2.gz FBVOOYXXABKTRS-HXUWFJFHSA-N 1 0 355.478 3.604 20 30 FHEDRO Cc1ccccc1OCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180173949 940755956 /nfs/dbraw/zinc/75/59/56/940755956.db2.gz QSLZJQCEUOEWBF-UHFFFAOYSA-N 1 0 360.461 3.826 20 30 FHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000330078458 945347032 /nfs/dbraw/zinc/34/70/32/945347032.db2.gz NRUKUHQHBHUVQJ-SJKOYZFVSA-N 1 0 373.280 3.851 20 30 FHEDRO C[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@]2(CCOC2)O1 ZINC000330078457 945347247 /nfs/dbraw/zinc/34/72/47/945347247.db2.gz NRUKUHQHBHUVQJ-SJCJKPOMSA-N 1 0 373.280 3.851 20 30 FHEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000180188728 940787298 /nfs/dbraw/zinc/78/72/98/940787298.db2.gz YIWBNUBLACSHKT-RBUKOAKNSA-N 1 0 352.482 3.594 20 30 FHEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000180191911 940787967 /nfs/dbraw/zinc/78/79/67/940787967.db2.gz VEBZNGPJVORBNA-GOSISDBHSA-N 1 0 373.504 3.569 20 30 FHEDRO O=C(NCc1noc(-c2ccccc2F)n1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000330093430 945353064 /nfs/dbraw/zinc/35/30/64/945353064.db2.gz RMRSBFIVYJXZTM-MRXNPFEDSA-N 1 0 358.417 3.739 20 30 FHEDRO Cc1cc(F)c(C#N)c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C(C)C)c1 ZINC000892585789 940848710 /nfs/dbraw/zinc/84/87/10/940848710.db2.gz BELDBQPASKEHFF-CYBMUJFWSA-N 1 0 359.474 3.796 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000464775288 940869140 /nfs/dbraw/zinc/86/91/40/940869140.db2.gz RISIADQORRYPIV-NVXWUHKLSA-N 1 0 352.569 3.725 20 30 FHEDRO Cc1cccc(O[C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180253604 940883843 /nfs/dbraw/zinc/88/38/43/940883843.db2.gz AFXFIYXWOBHBPJ-QGZVFWFLSA-N 1 0 360.461 3.824 20 30 FHEDRO CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1cc(Cl)cn1C ZINC000180267083 940897768 /nfs/dbraw/zinc/89/77/68/940897768.db2.gz QMGGMCJHWQPNOS-UHFFFAOYSA-N 1 0 353.857 3.583 20 30 FHEDRO C=C[C@@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000658952289 940914086 /nfs/dbraw/zinc/91/40/86/940914086.db2.gz QGBMSHYBEJUDJJ-ZLGUVYLKSA-N 1 0 352.453 3.829 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000472580691 940933705 /nfs/dbraw/zinc/93/37/05/940933705.db2.gz DJOCOLVQJAKMOD-LJQANCHMSA-N 1 0 360.546 3.526 20 30 FHEDRO N#Cc1csc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000180365101 940989478 /nfs/dbraw/zinc/98/94/78/940989478.db2.gz UPVVMNATZOJCDS-OAHLLOKOSA-N 1 0 366.273 3.822 20 30 FHEDRO COc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000330127957 945367536 /nfs/dbraw/zinc/36/75/36/945367536.db2.gz NEXLCWNMZAKWHL-TZMCWYRMSA-N 1 0 358.269 3.955 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(C#N)cc1F ZINC000540975997 941051640 /nfs/dbraw/zinc/05/16/40/941051640.db2.gz JSTYKRDBDRJJHT-PNLZDCPESA-N 1 0 367.468 3.637 20 30 FHEDRO CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1C ZINC001104561991 941054617 /nfs/dbraw/zinc/05/46/17/941054617.db2.gz QTCVFTMUIDNWJD-HUUCEWRRSA-N 1 0 353.532 3.507 20 30 FHEDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(C#N)cc1 ZINC000376463840 941055705 /nfs/dbraw/zinc/05/57/05/941055705.db2.gz NXEWGPYXNBSVAS-RTBURBONSA-N 1 0 365.481 3.524 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000176636964 941065538 /nfs/dbraw/zinc/06/55/38/941065538.db2.gz RFNONTQJDNVZNM-UHFFFAOYSA-N 1 0 372.694 3.874 20 30 FHEDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000180713938 941066860 /nfs/dbraw/zinc/06/68/60/941066860.db2.gz HWCOLTMSHJPZJK-KGLIPLIRSA-N 1 0 355.438 3.845 20 30 FHEDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000180709043 941067764 /nfs/dbraw/zinc/06/77/64/941067764.db2.gz VCHSJQRYNYGYNI-CYBMUJFWSA-N 1 0 357.841 3.900 20 30 FHEDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(C#N)cs2)c2cccs2)CC1 ZINC000176862101 941081412 /nfs/dbraw/zinc/08/14/12/941081412.db2.gz AZCTUPZIARFAAM-HNNXBMFYSA-N 1 0 359.520 3.884 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000472614781 941108160 /nfs/dbraw/zinc/10/81/60/941108160.db2.gz YACSPNSFLIMAJY-PMACEKPBSA-N 1 0 350.462 3.947 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000472614784 941108258 /nfs/dbraw/zinc/10/82/58/941108258.db2.gz YACSPNSFLIMAJY-WOJBJXKFSA-N 1 0 350.462 3.947 20 30 FHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1Br ZINC000181121537 941109925 /nfs/dbraw/zinc/10/99/25/941109925.db2.gz COJYDTPOPZFNBD-MRXNPFEDSA-N 1 0 350.304 3.627 20 30 FHEDRO CN(CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000177373330 941119488 /nfs/dbraw/zinc/11/94/88/941119488.db2.gz PEWHELNBJLSSQZ-RUZDIDTESA-N 1 0 365.420 3.926 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000181344535 941128595 /nfs/dbraw/zinc/12/85/95/941128595.db2.gz BPTFLNOXJILPKX-NRFANRHFSA-N 1 0 368.502 3.853 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000177916773 941153092 /nfs/dbraw/zinc/15/30/92/941153092.db2.gz LDEGASLMBWEOOI-DNVCBOLYSA-N 1 0 366.440 3.872 20 30 FHEDRO COc1ccccc1NC(=O)C1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000189230683 941154996 /nfs/dbraw/zinc/15/49/96/941154996.db2.gz KNDKUTBPKUEVKS-MRXNPFEDSA-N 1 0 363.461 3.979 20 30 FHEDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)c1cccc(C#N)c1 ZINC001167709964 941214617 /nfs/dbraw/zinc/21/46/17/941214617.db2.gz DBZNQVWBRNCRJF-AWEZNQCLSA-N 1 0 354.410 3.580 20 30 FHEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1cccc(N2CCCC2=O)c1 ZINC000181426215 941218442 /nfs/dbraw/zinc/21/84/42/941218442.db2.gz BNMJVWPSJLOHTN-KRWDZBQOSA-N 1 0 363.461 3.805 20 30 FHEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)CC12CCC2 ZINC000311303874 941226945 /nfs/dbraw/zinc/22/69/45/941226945.db2.gz KWBRFJQTXXVPEV-GOSISDBHSA-N 1 0 355.482 3.970 20 30 FHEDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000376594621 941281732 /nfs/dbraw/zinc/28/17/32/941281732.db2.gz FWRYKNRTHZSANB-LJQANCHMSA-N 1 0 374.492 3.577 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCC[C@@H]3CCO)c2)c1 ZINC000189929076 941306451 /nfs/dbraw/zinc/30/64/51/941306451.db2.gz LYUQCZYJXHKKHS-IFMALSPDSA-N 1 0 350.462 3.778 20 30 FHEDRO C#CCC(CC#C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000376660277 941375190 /nfs/dbraw/zinc/37/51/90/941375190.db2.gz OBQAHVIPOPAGJA-UYAOXDASSA-N 1 0 356.897 3.502 20 30 FHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)CCN2C2CC2)c1 ZINC000549115535 941379559 /nfs/dbraw/zinc/37/95/59/941379559.db2.gz JEDJDRBNNFLUNN-FGZHOGPDSA-N 1 0 365.452 3.774 20 30 FHEDRO C[C@H]1C[C@@H](NC(=O)NCC(C)(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000376708127 941385089 /nfs/dbraw/zinc/38/50/89/941385089.db2.gz YYIMEBGPBLXDSU-HKUYNNGSSA-N 1 0 356.514 3.669 20 30 FHEDRO C[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376928632 941468693 /nfs/dbraw/zinc/46/86/93/941468693.db2.gz CMVSDYLTVLNOKC-MJGOQNOKSA-N 1 0 356.514 3.526 20 30 FHEDRO COc1cccc([C@H]2[C@H](NC(=O)C3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000183263722 941495176 /nfs/dbraw/zinc/49/51/76/941495176.db2.gz HSABSZRQGGILLD-UXHICEINSA-N 1 0 367.493 3.563 20 30 FHEDRO COc1cccc([C@H]2[C@@H](NC(=O)C3(C#N)CCCCC3)CC[N@@H+]2C2CC2)c1 ZINC000183263758 941495187 /nfs/dbraw/zinc/49/51/87/941495187.db2.gz HSABSZRQGGILLD-PMACEKPBSA-N 1 0 367.493 3.563 20 30 FHEDRO CC(C)(CCC#N)CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000377055696 941505168 /nfs/dbraw/zinc/50/51/68/941505168.db2.gz IFKQTSOTNOXHCU-JOCHJYFZSA-N 1 0 368.525 3.624 20 30 FHEDRO CS[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000414904082 941509425 /nfs/dbraw/zinc/50/94/25/941509425.db2.gz LAQSYVLEAKZORG-FQEVSTJZSA-N 1 0 367.518 3.553 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415002012 941535712 /nfs/dbraw/zinc/53/57/12/941535712.db2.gz DDVVWQYHYMVDCE-RHSMWYFYSA-N 1 0 350.422 3.599 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000415005677 941537449 /nfs/dbraw/zinc/53/74/49/941537449.db2.gz JLDYQKDEKOBZBM-UHFFFAOYSA-N 1 0 350.422 3.614 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC000415029449 941550356 /nfs/dbraw/zinc/55/03/56/941550356.db2.gz BCNCJVZHCXCEMV-RDJZCZTQSA-N 1 0 350.422 3.742 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000415030041 941553846 /nfs/dbraw/zinc/55/38/46/941553846.db2.gz BQAFISZVUIXNJU-WBVHZDCISA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H]1C[NH3+] ZINC000415032692 941556821 /nfs/dbraw/zinc/55/68/21/941556821.db2.gz GIPRXCGORKTRHE-MGPUTAFESA-N 1 0 364.449 3.942 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](C[NH3+])C3CCCC3)cc2)cc1 ZINC000415042213 941561433 /nfs/dbraw/zinc/56/14/33/941561433.db2.gz QJVGVZWJFHPOFS-HXUWFJFHSA-N 1 0 364.449 3.990 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H](C[NH3+])C1CC1 ZINC000415050002 941566485 /nfs/dbraw/zinc/56/64/85/941566485.db2.gz YMMQHUMCZMHMRF-LJQANCHMSA-N 1 0 350.422 3.552 20 30 FHEDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415049858 941566539 /nfs/dbraw/zinc/56/65/39/941566539.db2.gz YGKGEQCURVMHOZ-IBGZPJMESA-N 1 0 364.449 3.860 20 30 FHEDRO CCN(C(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000549167180 941575796 /nfs/dbraw/zinc/57/57/96/941575796.db2.gz SLJUEYNCENZWBW-CVEARBPZSA-N 1 0 353.441 3.958 20 30 FHEDRO CC[C@@H](C(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1)c1ccccc1 ZINC000892809363 941577257 /nfs/dbraw/zinc/57/72/57/941577257.db2.gz MALSLEFXUWUNPK-HSZRJFAPSA-N 1 0 360.501 3.813 20 30 FHEDRO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000549174623 941587463 /nfs/dbraw/zinc/58/74/63/941587463.db2.gz VUULHVDXYGNKPX-CYBMUJFWSA-N 1 0 357.841 3.818 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC000415143693 941631922 /nfs/dbraw/zinc/63/19/22/941631922.db2.gz BGWLEYOAVIVBBL-UZLBHIALSA-N 1 0 364.449 3.990 20 30 FHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415146054 941632715 /nfs/dbraw/zinc/63/27/15/941632715.db2.gz FSWOQBDOUOPUFB-KRWDZBQOSA-N 1 0 350.422 3.566 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2)c1 ZINC000415151265 941639458 /nfs/dbraw/zinc/63/94/58/941639458.db2.gz AEGUQPOBEYCXPS-RDJZCZTQSA-N 1 0 350.422 3.742 20 30 FHEDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000415160023 941643304 /nfs/dbraw/zinc/64/33/04/941643304.db2.gz KSGMNGLVBZVLSI-QGZVFWFLSA-N 1 0 352.438 3.845 20 30 FHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460390443 941662838 /nfs/dbraw/zinc/66/28/38/941662838.db2.gz WHBUHVUVUAJPJN-DOTOQJQBSA-N 1 0 357.502 3.732 20 30 FHEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000472747869 941668019 /nfs/dbraw/zinc/66/80/19/941668019.db2.gz IBBRFHFRHXGFTC-CZUORRHYSA-N 1 0 371.262 3.755 20 30 FHEDRO N#CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000892909761 941674842 /nfs/dbraw/zinc/67/48/42/941674842.db2.gz NUYJDPPMIFXIHS-CRAIPNDOSA-N 1 0 351.416 3.708 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000415238636 941692760 /nfs/dbraw/zinc/69/27/60/941692760.db2.gz MGCLJQPNGJZOMO-ZFWWWQNUSA-N 1 0 368.412 3.691 20 30 FHEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000415238634 941692930 /nfs/dbraw/zinc/69/29/30/941692930.db2.gz MGCLJQPNGJZOMO-HIFRSBDPSA-N 1 0 368.412 3.691 20 30 FHEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415239997 941694691 /nfs/dbraw/zinc/69/46/91/941694691.db2.gz PIFPMCFOBRKWNB-UONOGXRCSA-N 1 0 368.412 3.704 20 30 FHEDRO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415240852 941696061 /nfs/dbraw/zinc/69/60/61/941696061.db2.gz RDMSSFNPKPTDRO-INIZCTEOSA-N 1 0 368.412 3.705 20 30 FHEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000472764599 941713284 /nfs/dbraw/zinc/71/32/84/941713284.db2.gz CQWLNPJMWYYDHV-LJQANCHMSA-N 1 0 350.462 3.638 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549247867 941739032 /nfs/dbraw/zinc/73/90/32/941739032.db2.gz FLGANOQGRATBRT-ROUUACIJSA-N 1 0 357.546 3.822 20 30 FHEDRO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000377466341 941748614 /nfs/dbraw/zinc/74/86/14/941748614.db2.gz XVYQPDVNYMTEKJ-QFHJOOASSA-N 1 0 362.539 3.619 20 30 FHEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC000513374716 941883447 /nfs/dbraw/zinc/88/34/47/941883447.db2.gz CHLREFVYXBNZQW-UHFFFAOYSA-N 1 0 353.441 3.679 20 30 FHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000472850574 941948809 /nfs/dbraw/zinc/94/88/09/941948809.db2.gz OSLZCADYHQZEHS-UHFFFAOYSA-N 1 0 359.473 3.835 20 30 FHEDRO CCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 ZINC000513490330 941959616 /nfs/dbraw/zinc/95/96/16/941959616.db2.gz NDPLAUNSWPEMJA-VXKWHMMOSA-N 1 0 364.489 3.567 20 30 FHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@H](C)C3)sc2C1 ZINC000328672508 941961296 /nfs/dbraw/zinc/96/12/96/941961296.db2.gz IFQPGKYSDUMVJE-UONOGXRCSA-N 1 0 361.511 3.691 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000413824719 941965568 /nfs/dbraw/zinc/96/55/68/941965568.db2.gz DGWIUTABZMONAT-TUNNFDKTSA-N 1 0 367.537 3.832 20 30 FHEDRO Cc1cccnc1[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C ZINC000182877094 941977662 /nfs/dbraw/zinc/97/76/62/941977662.db2.gz YQRKWXKNMNVPFN-VQTJNVASSA-N 1 0 362.477 3.744 20 30 FHEDRO C=C(C)[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(F)c(F)c1 ZINC000433910405 941980251 /nfs/dbraw/zinc/98/02/51/941980251.db2.gz FLBINSRRSNCRJE-VQIMIIECSA-N 1 0 363.452 3.898 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000434052955 942056741 /nfs/dbraw/zinc/05/67/41/942056741.db2.gz LZNNDPFUXVQFND-GOSISDBHSA-N 1 0 369.490 3.630 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000415803030 942059859 /nfs/dbraw/zinc/05/98/59/942059859.db2.gz ISTHMJXHTFIFPE-KRWDZBQOSA-N 1 0 352.463 3.568 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000415809905 942063615 /nfs/dbraw/zinc/06/36/15/942063615.db2.gz UXDGVHJZRGZYTK-MRXNPFEDSA-N 1 0 352.463 3.664 20 30 FHEDRO Cc1cc(C#N)cnc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000549366540 942064972 /nfs/dbraw/zinc/06/49/72/942064972.db2.gz SCPMHCWMIFGJOH-QGZVFWFLSA-N 1 0 362.477 3.566 20 30 FHEDRO COc1ccc(OC)c([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000513672510 942067020 /nfs/dbraw/zinc/06/70/20/942067020.db2.gz KVAFSUWFYYHYIM-INIZCTEOSA-N 1 0 365.477 3.895 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000151167091 942078300 /nfs/dbraw/zinc/07/83/00/942078300.db2.gz WBBIGACUWRSHAR-PMACEKPBSA-N 1 0 367.489 3.653 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2sc(C)nc2C)c1 ZINC000178571480 942088308 /nfs/dbraw/zinc/08/83/08/942088308.db2.gz ZWANWYRRFVIPAB-UHFFFAOYSA-N 1 0 362.499 3.527 20 30 FHEDRO C[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1ccc(C#N)c(F)c1 ZINC000280073953 942102537 /nfs/dbraw/zinc/10/25/37/942102537.db2.gz LEKAODNDAQKGSW-GFCCVEGCSA-N 1 0 365.250 3.787 20 30 FHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C)c1C#N ZINC000501927939 942117021 /nfs/dbraw/zinc/11/70/21/942117021.db2.gz IUYJIAOXPRWATH-FOIQADDNSA-N 1 0 364.493 3.742 20 30 FHEDRO C[N@H+](Cc1ccccc1C#N)C1CCN(c2ncnc3ccccc32)CC1 ZINC000377989967 942131662 /nfs/dbraw/zinc/13/16/62/942131662.db2.gz CRNZCNYEUHFVGE-UHFFFAOYSA-N 1 0 357.461 3.602 20 30 FHEDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280357253 942170698 /nfs/dbraw/zinc/17/06/98/942170698.db2.gz UCGSOSKJKWNAAY-UHFFFAOYSA-N 1 0 365.481 3.593 20 30 FHEDRO C=C(C)[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000420841961 942225526 /nfs/dbraw/zinc/22/55/26/942225526.db2.gz VOGZTVDUKCWXOS-JTTJXQCZSA-N 1 0 351.441 3.754 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=C)C)c2ccc(F)c(F)c2)CC1 ZINC000187836894 942232995 /nfs/dbraw/zinc/23/29/95/942232995.db2.gz OKNXVUORXKSGQG-LJQANCHMSA-N 1 0 363.452 3.922 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000280689010 942234514 /nfs/dbraw/zinc/23/45/14/942234514.db2.gz RHAHAQGJOHTCDZ-QRWLVFNGSA-N 1 0 374.506 3.802 20 30 FHEDRO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000431857267 942251910 /nfs/dbraw/zinc/25/19/10/942251910.db2.gz YFOIBESOKZVRJJ-IBGZPJMESA-N 1 0 356.514 3.984 20 30 FHEDRO N#Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000420891019 942252417 /nfs/dbraw/zinc/25/24/17/942252417.db2.gz RPSFLYULMPYTNV-UHFFFAOYSA-N 1 0 368.506 3.605 20 30 FHEDRO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000420923841 942256565 /nfs/dbraw/zinc/25/65/65/942256565.db2.gz IOSRVIMZWLSVIT-DLBZAZTESA-N 1 0 350.503 3.529 20 30 FHEDRO CSc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000501019903 942265734 /nfs/dbraw/zinc/26/57/34/942265734.db2.gz JYTSSUXQEGHPLE-IFXJQAMLSA-N 1 0 351.475 3.736 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)NCC2(C#N)CCC2)CCCC1)c1ccccc1 ZINC000419448983 942268116 /nfs/dbraw/zinc/26/81/16/942268116.db2.gz JPTMMOGODAACHE-KRWDZBQOSA-N 1 0 354.498 3.643 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000501090463 942294192 /nfs/dbraw/zinc/29/41/92/942294192.db2.gz NHLBZGSXDQUMBV-HNNXBMFYSA-N 1 0 366.421 3.878 20 30 FHEDRO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1OCCCC#N ZINC000414490048 942301426 /nfs/dbraw/zinc/30/14/26/942301426.db2.gz UVRFYOLSVUEJMX-VQTJNVASSA-N 1 0 366.461 3.686 20 30 FHEDRO C=CCc1cc(C[NH2+]Cc2cnc3onc(C)c3c2)cc(OC)c1OC ZINC000894244133 942306532 /nfs/dbraw/zinc/30/65/32/942306532.db2.gz VMCCIFWEPJIPTJ-UHFFFAOYSA-N 1 0 353.422 3.567 20 30 FHEDRO CC[C@@H](C)[N@H+](C)CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237025781 942333822 /nfs/dbraw/zinc/33/38/22/942333822.db2.gz QUPSAFAHAZQONG-GOSISDBHSA-N 1 0 351.494 3.957 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000513708050 942337075 /nfs/dbraw/zinc/33/70/75/942337075.db2.gz MFVCGFPMKLYKPX-UHFFFAOYSA-N 1 0 355.869 3.849 20 30 FHEDRO Cc1ccccc1OCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000014079528 942395162 /nfs/dbraw/zinc/39/51/62/942395162.db2.gz HCZKWWGOVFNSLI-UHFFFAOYSA-N 1 0 371.868 3.860 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccccc1CN1CCSCC1 ZINC000163917074 942449613 /nfs/dbraw/zinc/44/96/13/942449613.db2.gz GKZJUOJPRSXXRL-UHFFFAOYSA-N 1 0 351.475 3.668 20 30 FHEDRO C[C@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)[NH+]1CCCCCC1 ZINC000505337313 942476832 /nfs/dbraw/zinc/47/68/32/942476832.db2.gz GWKPSYBDMBFULX-IUODEOHRSA-N 1 0 354.281 3.939 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1C(F)(F)F ZINC000894247168 942492498 /nfs/dbraw/zinc/49/24/98/942492498.db2.gz SDPKZMJWDAGQJP-PEHJNBARSA-N 1 0 360.420 3.816 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000421339189 942494074 /nfs/dbraw/zinc/49/40/74/942494074.db2.gz FSZCYZYGVLKCEW-OAHLLOKOSA-N 1 0 366.358 3.657 20 30 FHEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c(OC[C@@H]2CCOC2)c1 ZINC000421338890 942494128 /nfs/dbraw/zinc/49/41/28/942494128.db2.gz DZLGKXNGLPDQFO-QGZVFWFLSA-N 1 0 354.425 3.711 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)cc1F ZINC000421342815 942495739 /nfs/dbraw/zinc/49/57/39/942495739.db2.gz OOAHRNLIHYXPLI-CQSZACIVSA-N 1 0 366.358 3.657 20 30 FHEDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000421359652 942511302 /nfs/dbraw/zinc/51/13/02/942511302.db2.gz GOFUBUPJLSBVHW-HKUYNNGSSA-N 1 0 350.462 3.588 20 30 FHEDRO Cc1c(C#N)cccc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425034760 942513102 /nfs/dbraw/zinc/51/31/02/942513102.db2.gz GZDMFFPEFXJYEW-UHFFFAOYSA-N 1 0 354.479 3.732 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1F ZINC000421367368 942519173 /nfs/dbraw/zinc/51/91/73/942519173.db2.gz SSHAYGZBVUWLKY-OAHLLOKOSA-N 1 0 361.367 3.667 20 30 FHEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000501520456 942522472 /nfs/dbraw/zinc/52/24/72/942522472.db2.gz DXNLRZLLTUUNSR-QGZVFWFLSA-N 1 0 373.250 3.813 20 30 FHEDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513716068 942537079 /nfs/dbraw/zinc/53/70/79/942537079.db2.gz WYGJOBQVRAFVSP-KRWDZBQOSA-N 1 0 365.477 3.597 20 30 FHEDRO CC[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC(F)(F)F ZINC000414516168 942538262 /nfs/dbraw/zinc/53/82/62/942538262.db2.gz NWJDGVPJUSNNFK-CQSZACIVSA-N 1 0 365.403 3.927 20 30 FHEDRO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000513879683 942572329 /nfs/dbraw/zinc/57/23/29/942572329.db2.gz IPEBGYTUAOOIED-SFHVURJKSA-N 1 0 352.453 3.976 20 30 FHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCC#Cc2cccc(F)c2)cc1 ZINC000513932748 942613920 /nfs/dbraw/zinc/61/39/20/942613920.db2.gz ALHZAMAMGVUCTD-UHFFFAOYSA-N 1 0 352.453 3.839 20 30 FHEDRO Cc1ccnc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1C#N ZINC000541351383 942623012 /nfs/dbraw/zinc/62/30/12/942623012.db2.gz PPBQQTRKVQGAEE-QGZVFWFLSA-N 1 0 350.466 3.574 20 30 FHEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000183576580 942631860 /nfs/dbraw/zinc/63/18/60/942631860.db2.gz XQLRZMIVHHKHTD-OAHLLOKOSA-N 1 0 368.458 3.737 20 30 FHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000066813026 942663722 /nfs/dbraw/zinc/66/37/22/942663722.db2.gz WONNAOYRRIFMAN-UHFFFAOYSA-N 1 0 364.449 3.815 20 30 FHEDRO C=CCCO[C@H](C)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000501764226 942666029 /nfs/dbraw/zinc/66/60/29/942666029.db2.gz TXMLGPGXMJPNQE-XLIONFOSSA-N 1 0 358.526 3.557 20 30 FHEDRO COc1cc(C[NH+]2CCC([C@@H]3CCCCCN3C(C)=O)CC2)ccc1C#N ZINC000367030636 942723709 /nfs/dbraw/zinc/72/37/09/942723709.db2.gz QNXUOVFXVPAQRU-NRFANRHFSA-N 1 0 369.509 3.570 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(F)(c3ccccc3)CC2)c1 ZINC000434500400 942725934 /nfs/dbraw/zinc/72/59/34/942725934.db2.gz RHBFZFMGJXIYOM-UHFFFAOYSA-N 1 0 351.425 3.848 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000367037414 942735046 /nfs/dbraw/zinc/73/50/46/942735046.db2.gz LBHLEWCQVOATGV-UNMCSNQZSA-N 1 0 359.473 3.716 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]CCCN3CCc4ccccc43)CC2)cc1 ZINC000513755948 942761131 /nfs/dbraw/zinc/76/11/31/942761131.db2.gz VFRRLSDIBFCJRT-UHFFFAOYSA-N 1 0 360.505 3.569 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]Cc2cccc(OCC(F)F)c2)O1 ZINC000378448797 942779772 /nfs/dbraw/zinc/77/97/72/942779772.db2.gz DQFWBNDCYMAPKD-BRSBDYLESA-N 1 0 350.409 3.660 20 30 FHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C12CCCCC2 ZINC000502858504 942802002 /nfs/dbraw/zinc/80/20/02/942802002.db2.gz VUQNPGMVPYYGIS-QZTJIDSGSA-N 1 0 366.465 3.826 20 30 FHEDRO Cc1ccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000378471611 942807485 /nfs/dbraw/zinc/80/74/85/942807485.db2.gz DSJBVWCCRLSTCO-UHFFFAOYSA-N 1 0 361.489 3.602 20 30 FHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000502913599 942837109 /nfs/dbraw/zinc/83/71/09/942837109.db2.gz SQTCKKRJFZWXBG-QGZVFWFLSA-N 1 0 351.450 3.676 20 30 FHEDRO Cc1sc(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c(C#N)c1C ZINC000378504941 942839071 /nfs/dbraw/zinc/83/90/71/942839071.db2.gz CIOIMTNCHBMFLM-APWZRJJASA-N 1 0 369.490 3.543 20 30 FHEDRO Cc1ccccc1[C@]1(F)CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000502903949 942844708 /nfs/dbraw/zinc/84/47/08/942844708.db2.gz PHXQDGREODPRNO-NRFANRHFSA-N 1 0 351.425 3.766 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000434677646 942863109 /nfs/dbraw/zinc/86/31/09/942863109.db2.gz ZJBSJZNTPLNIPH-OAHLLOKOSA-N 1 0 352.569 3.869 20 30 FHEDRO CC(C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000434714712 942876933 /nfs/dbraw/zinc/87/69/33/942876933.db2.gz SCKZNMHKCIZGLQ-UHFFFAOYSA-N 1 0 366.421 3.706 20 30 FHEDRO Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CCC2 ZINC000378545414 942878684 /nfs/dbraw/zinc/87/86/84/942878684.db2.gz NSZFEGKFGXGHEP-FQEVSTJZSA-N 1 0 366.534 3.955 20 30 FHEDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000273119477 942895543 /nfs/dbraw/zinc/89/55/43/942895543.db2.gz ZDNOHQOIEJAQQW-MSOLQXFVSA-N 1 0 352.482 3.759 20 30 FHEDRO Cc1csc([C@@H](C)CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000184007853 942954399 /nfs/dbraw/zinc/95/43/99/942954399.db2.gz CJRFOWNNGSEWIX-JTQLQIEISA-N 1 0 372.416 3.558 20 30 FHEDRO COC[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000434790330 942970187 /nfs/dbraw/zinc/97/01/87/942970187.db2.gz SZENQOBJDIKCTR-FGZHOGPDSA-N 1 0 364.489 3.670 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)cc1C#N ZINC000312256829 943012942 /nfs/dbraw/zinc/01/29/42/943012942.db2.gz BXCUWDUHHZZRAC-OAQYLSRUSA-N 1 0 373.497 3.694 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363913414 943043238 /nfs/dbraw/zinc/04/32/38/943043238.db2.gz HOLPMHHKWPYZSG-ZIAGYGMSSA-N 1 0 353.919 3.726 20 30 FHEDRO COc1ccc(C[N@@H+](Cc2cc(C#N)ccc2OC)CC2CC2)c(OC)c1 ZINC000503205446 943058928 /nfs/dbraw/zinc/05/89/28/943058928.db2.gz FLYTYWQENJWXKH-UHFFFAOYSA-N 1 0 366.461 3.996 20 30 FHEDRO C=CCOc1ccc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000434980833 943073235 /nfs/dbraw/zinc/07/32/35/943073235.db2.gz BUPWEZAHETWQAC-FQEVSTJZSA-N 1 0 352.478 3.749 20 30 FHEDRO CNc1ccc(C#N)cc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000503259257 943089849 /nfs/dbraw/zinc/08/98/49/943089849.db2.gz KKLVSUAWZPDSKU-UHFFFAOYSA-N 1 0 362.477 3.841 20 30 FHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)C1 ZINC000272422274 943153089 /nfs/dbraw/zinc/15/30/89/943153089.db2.gz NNHNJXASILUEMH-GOSISDBHSA-N 1 0 368.525 3.754 20 30 FHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCCC#N)c2ccc(F)cc2)c1 ZINC000272501476 943167045 /nfs/dbraw/zinc/16/70/45/943167045.db2.gz VOJXDYAYWVHHBT-LJQANCHMSA-N 1 0 360.454 3.602 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H]1c1cccn1C)C(C)C ZINC000503435870 943183449 /nfs/dbraw/zinc/18/34/49/943183449.db2.gz INHRFKOQGCAVOJ-WOJBJXKFSA-N 1 0 358.530 3.570 20 30 FHEDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000503457434 943191656 /nfs/dbraw/zinc/19/16/56/943191656.db2.gz FKVHBDFSQPFBAJ-ZTFGCOKTSA-N 1 0 363.502 3.725 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)CC1 ZINC000435184438 943235016 /nfs/dbraw/zinc/23/50/16/943235016.db2.gz SECOUDYIULFAIG-RTWAWAEBSA-N 1 0 371.525 3.635 20 30 FHEDRO [NH2+]=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)Nc1ccccc1 ZINC000261878330 943250721 /nfs/dbraw/zinc/25/07/21/943250721.db2.gz QIMXMRKUBCAXCM-CQSZACIVSA-N 1 0 373.298 3.702 20 30 FHEDRO N#C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000505637996 943272285 /nfs/dbraw/zinc/27/22/85/943272285.db2.gz RLXLHRWFJMGUQY-XLIONFOSSA-N 1 0 367.880 3.933 20 30 FHEDRO C=CCC[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000435274067 943295888 /nfs/dbraw/zinc/29/58/88/943295888.db2.gz FWYCPXSMYKJLLM-HXUWFJFHSA-N 1 0 356.510 3.845 20 30 FHEDRO C[C@]1(CNc2c(C#N)nnc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000312396180 943299185 /nfs/dbraw/zinc/29/91/85/943299185.db2.gz DISQZCLGDNXURG-JOCHJYFZSA-N 1 0 357.461 3.826 20 30 FHEDRO C=CCC[C@@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281045 943300256 /nfs/dbraw/zinc/30/02/56/943300256.db2.gz PMVKJWPNEBRCCZ-YADHBBJMSA-N 1 0 364.489 3.711 20 30 FHEDRO CN1C(=O)C[C@@H]([NH2+]CCC2(C#N)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514844994 943326858 /nfs/dbraw/zinc/32/68/58/943326858.db2.gz QLDUWGHWATZSCR-MJGOQNOKSA-N 1 0 361.436 3.690 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](c3ccc(CC)cc3)C2)CC1 ZINC000431921090 943348939 /nfs/dbraw/zinc/34/89/39/943348939.db2.gz WDPNWVDRYUBHHJ-HXUWFJFHSA-N 1 0 355.526 3.788 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435352426 943350867 /nfs/dbraw/zinc/35/08/67/943350867.db2.gz DVOBRUNGOLBNOB-LJQANCHMSA-N 1 0 373.500 3.713 20 30 FHEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000514889509 943364219 /nfs/dbraw/zinc/36/42/19/943364219.db2.gz KJUMWSCCDGLDIP-GOSISDBHSA-N 1 0 353.510 3.819 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCC[C@H]3OC(F)F)CC2)cc1 ZINC000503860282 943388588 /nfs/dbraw/zinc/38/85/88/943388588.db2.gz UULHHCQUOLZZBW-RTBURBONSA-N 1 0 363.452 3.663 20 30 FHEDRO O=C(CCS)N1Cc2ccccc2C2(CC[NH+](C3CCCC3)CC2)C1 ZINC001269952987 943389783 /nfs/dbraw/zinc/38/97/83/943389783.db2.gz CLGCQRNFNOBCMT-UHFFFAOYSA-N 1 0 358.551 3.625 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000514964481 943411724 /nfs/dbraw/zinc/41/17/24/943411724.db2.gz WUTWFJLAFKTWNF-LJQANCHMSA-N 1 0 357.542 3.575 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431930551 943449413 /nfs/dbraw/zinc/44/94/13/943449413.db2.gz HMQRPICISWCFHU-WOJBJXKFSA-N 1 0 356.514 3.985 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(CCC#N)CC2)[C@H]1c1cccs1 ZINC000584717695 943480484 /nfs/dbraw/zinc/48/04/84/943480484.db2.gz JTKMKGRXOPCRCY-HKUYNNGSSA-N 1 0 374.554 3.856 20 30 FHEDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417371689 943552785 /nfs/dbraw/zinc/55/27/85/943552785.db2.gz URYSEESWLFOYFE-VFNWGFHPSA-N 1 0 373.456 3.600 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000435727894 943571504 /nfs/dbraw/zinc/57/15/04/943571504.db2.gz GYZIRVAHCPSPCZ-JLTOFOAXSA-N 1 0 372.421 3.934 20 30 FHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417397260 943572596 /nfs/dbraw/zinc/57/25/96/943572596.db2.gz XXNUUEGIQSAXOS-VFNWGFHPSA-N 1 0 363.461 3.951 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504339689 943592018 /nfs/dbraw/zinc/59/20/18/943592018.db2.gz WEJVSLHKPZMJKP-FGZHOGPDSA-N 1 0 359.473 3.835 20 30 FHEDRO CCCc1ccc([C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c2cccs2)cc1 ZINC000424071043 943708228 /nfs/dbraw/zinc/70/82/28/943708228.db2.gz YYBAFXUXHQQQOG-HKUYNNGSSA-N 1 0 355.507 3.927 20 30 FHEDRO CCCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424088122 943724724 /nfs/dbraw/zinc/72/47/24/943724724.db2.gz JCCIVELPJYXLEB-ZDUSSCGKSA-N 1 0 356.392 3.877 20 30 FHEDRO Cc1nc(NC(=O)[C@@H]([NH3+])CCCC#N)sc1Cc1ccccc1Cl ZINC000424090208 943726724 /nfs/dbraw/zinc/72/67/24/943726724.db2.gz KGZIXLPUEQNWRZ-AWEZNQCLSA-N 1 0 362.886 3.655 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000424139575 943748287 /nfs/dbraw/zinc/74/82/87/943748287.db2.gz RJYCBRQJZYDRIY-MRXNPFEDSA-N 1 0 356.857 3.912 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000424141097 943748961 /nfs/dbraw/zinc/74/89/61/943748961.db2.gz OLCMNLOAXWCSEP-DZFGPLHGSA-N 1 0 366.461 3.556 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000424154610 943755411 /nfs/dbraw/zinc/75/54/11/943755411.db2.gz ONELZBWDNWQTQN-UXHICEINSA-N 1 0 367.880 3.987 20 30 FHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458850969 943756893 /nfs/dbraw/zinc/75/68/93/943756893.db2.gz UVAINVAJIZOYKD-MISYRCLQSA-N 1 0 354.498 3.690 20 30 FHEDRO COc1cccc([C@H](NC(=O)[C@H]([NH3+])CCCC#N)c2ccccc2Cl)c1 ZINC000424131378 943757606 /nfs/dbraw/zinc/75/76/06/943757606.db2.gz UYIHLCKMHBAGIH-MOPGFXCFSA-N 1 0 371.868 3.575 20 30 FHEDRO COc1ccccc1[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1Cl ZINC000424133581 943759386 /nfs/dbraw/zinc/75/93/86/943759386.db2.gz XMAWTFHBBZDJJU-IEBWSBKVSA-N 1 0 371.868 3.575 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000424168965 943772665 /nfs/dbraw/zinc/77/26/65/943772665.db2.gz HCGWXZHDPUPZTR-WMZOPIPTSA-N 1 0 365.399 3.631 20 30 FHEDRO COc1ccc(C#N)cc1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091868277 943820565 /nfs/dbraw/zinc/82/05/65/943820565.db2.gz PCYFWODSNUVBTQ-UHFFFAOYSA-N 1 0 354.425 3.887 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000424293826 943823932 /nfs/dbraw/zinc/82/39/32/943823932.db2.gz JOYCIBPGXCMTEE-MAZHCROVSA-N 1 0 352.272 3.844 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000424296362 943824976 /nfs/dbraw/zinc/82/49/76/943824976.db2.gz OFEMMJOYMZUJMW-SYNHAJSKSA-N 1 0 363.523 3.645 20 30 FHEDRO N#CCCC1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000515381245 943844017 /nfs/dbraw/zinc/84/40/17/943844017.db2.gz BVBKHVTZOZKEGM-FQEVSTJZSA-N 1 0 350.466 3.565 20 30 FHEDRO C=CCOc1ccc(/C=C/c2nc(C3([NH3+])CCCCC3)no2)cc1OC ZINC000424335508 943849806 /nfs/dbraw/zinc/84/98/06/943849806.db2.gz HSLKALBRAQSLKD-CSKARUKUSA-N 1 0 355.438 3.932 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000435913943 943851872 /nfs/dbraw/zinc/85/18/72/943851872.db2.gz DAYXIKHVKNQAJF-QGZVFWFLSA-N 1 0 352.482 3.549 20 30 FHEDRO N#Cc1ccccc1OC1CCC([NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000515415118 943857908 /nfs/dbraw/zinc/85/79/08/943857908.db2.gz PSKFLCMWJCSSNV-ATKRNPRHSA-N 1 0 364.489 3.832 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000425416217 943859494 /nfs/dbraw/zinc/85/94/94/943859494.db2.gz KUNLMKDVGXQMFV-DLBZAZTESA-N 1 0 356.514 3.771 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000504883115 943882532 /nfs/dbraw/zinc/88/25/32/943882532.db2.gz SEZMZBOOBVVQOQ-SFHVURJKSA-N 1 0 368.868 3.998 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCS[C@H]3CCCC[C@H]32)c1C ZINC000437534733 943896900 /nfs/dbraw/zinc/89/69/00/943896900.db2.gz IYYDVRHZDAPNFN-UXHICEINSA-N 1 0 371.550 3.910 20 30 FHEDRO C[C@@H]1C[C@@H](Nc2c(C#N)cnc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000584502660 943913162 /nfs/dbraw/zinc/91/31/62/943913162.db2.gz POKKUGBOAPZKFB-DGCLKSJQSA-N 1 0 371.282 3.906 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000437573145 943929253 /nfs/dbraw/zinc/92/92/53/943929253.db2.gz ZCIIUEGBZCRIJL-NVXWUHKLSA-N 1 0 354.416 3.741 20 30 FHEDRO CCCCCCCCCC(=O)N1C[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC001270238164 943948605 /nfs/dbraw/zinc/94/86/05/943948605.db2.gz OEVMBGSNKDYBMW-PMACEKPBSA-N 1 0 350.547 3.981 20 30 FHEDRO CCCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCCN2C1CCCC1 ZINC001270238165 943948791 /nfs/dbraw/zinc/94/87/91/943948791.db2.gz OEVMBGSNKDYBMW-UXHICEINSA-N 1 0 350.547 3.981 20 30 FHEDRO N#CCC[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000417922112 943962574 /nfs/dbraw/zinc/96/25/74/943962574.db2.gz SJIRHTDTBCMUQC-FQEVSTJZSA-N 1 0 350.466 3.592 20 30 FHEDRO CCN(CCC[NH+](C)C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000566529567 943965310 /nfs/dbraw/zinc/96/53/10/943965310.db2.gz MTRZJEGCUJRHEK-UHFFFAOYSA-N 1 0 351.494 3.911 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000425452647 943976127 /nfs/dbraw/zinc/97/61/27/943976127.db2.gz ZXBHDMNWKFSQDN-OXJNMPFZSA-N 1 0 354.498 3.525 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2CCC(C)CC2)cc1 ZINC000515549661 943983853 /nfs/dbraw/zinc/98/38/53/943983853.db2.gz MPZHQEFVOCPSLV-UHFFFAOYSA-N 1 0 357.498 3.842 20 30 FHEDRO C=CCC[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000417944096 943987003 /nfs/dbraw/zinc/98/70/03/943987003.db2.gz VSFCUMBAGVTYSL-HZPDHXFCSA-N 1 0 355.404 3.845 20 30 FHEDRO C=CCC[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000417945792 943989678 /nfs/dbraw/zinc/98/96/78/943989678.db2.gz XVYFIPPLQQLLDB-HZPDHXFCSA-N 1 0 355.404 3.749 20 30 FHEDRO CN(Cc1ccc([S@](C)=O)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437651069 944000811 /nfs/dbraw/zinc/00/08/11/944000811.db2.gz NZIMUNCBLYIWHP-VWLOTQADSA-N 1 0 364.417 3.529 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000425457140 944014010 /nfs/dbraw/zinc/01/40/10/944014010.db2.gz XYQJJNNQBCEESJ-QRWLVFNGSA-N 1 0 368.456 3.703 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000417982494 944036387 /nfs/dbraw/zinc/03/63/87/944036387.db2.gz KWEAAAZHAZKQLM-OAQYLSRUSA-N 1 0 362.477 3.542 20 30 FHEDRO C[C@@H](NC(=O)N(C)C1CC[NH2+]CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990764 944040103 /nfs/dbraw/zinc/04/01/03/944040103.db2.gz KTWWTRSNJFMJPN-MRXNPFEDSA-N 1 0 362.477 3.680 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417993772 944051634 /nfs/dbraw/zinc/05/16/34/944051634.db2.gz OIVBYPGCBHKGCF-XPIZARPCSA-N 1 0 362.477 3.713 20 30 FHEDRO CCN(C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515626815 944059392 /nfs/dbraw/zinc/05/93/92/944059392.db2.gz ALOBCACGQVHZNG-LJQANCHMSA-N 1 0 366.440 3.826 20 30 FHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000500101343 944098742 /nfs/dbraw/zinc/09/87/42/944098742.db2.gz WNNXZGMOCDSZHY-HXUWFJFHSA-N 1 0 356.514 3.939 20 30 FHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425489600 944108591 /nfs/dbraw/zinc/10/85/91/944108591.db2.gz NZOIWUSWMBBIJV-QZTJIDSGSA-N 1 0 364.493 3.781 20 30 FHEDRO C=CCc1cc(C[NH2+]C[C@@H](C)N2CCc3ccccc32)cc(OC)c1O ZINC000500107660 944111230 /nfs/dbraw/zinc/11/12/30/944111230.db2.gz HHTHUZGDYLUOKI-MRXNPFEDSA-N 1 0 352.478 3.670 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)cc1OC ZINC000418087680 944142334 /nfs/dbraw/zinc/14/23/34/944142334.db2.gz CZENNUMKFZOPAX-UHFFFAOYSA-N 1 0 359.388 3.803 20 30 FHEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000436266889 944142678 /nfs/dbraw/zinc/14/26/78/944142678.db2.gz PPZDWHLHLFYKSZ-NHCUHLMSSA-N 1 0 371.525 3.897 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000436312819 944192120 /nfs/dbraw/zinc/19/21/20/944192120.db2.gz WGXKKRWQPOPJLN-NOLJZWGESA-N 1 0 371.262 3.923 20 30 FHEDRO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418140247 944199547 /nfs/dbraw/zinc/19/95/47/944199547.db2.gz FNRNISRBUGPETG-YCRPNKLZSA-N 1 0 364.445 3.666 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000418150107 944211413 /nfs/dbraw/zinc/21/14/13/944211413.db2.gz VZMQKTGWSXIGAU-IBGZPJMESA-N 1 0 372.428 3.844 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000436343208 944220009 /nfs/dbraw/zinc/22/00/09/944220009.db2.gz VVQPXOLVDAFACZ-CTNGQTDRSA-N 1 0 371.525 3.818 20 30 FHEDRO C[C@]1(c2ccccc2)CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000500186179 944225556 /nfs/dbraw/zinc/22/55/56/944225556.db2.gz PSNTYYDRIAPHKC-GMAHTHKFSA-N 1 0 359.473 3.717 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(CCOCc3ccccc3)CC2)CC1 ZINC000473725537 944297692 /nfs/dbraw/zinc/29/76/92/944297692.db2.gz QYFPIUDBWOZRNQ-UHFFFAOYSA-N 1 0 356.510 3.530 20 30 FHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1snc(Cl)c1C#N ZINC000092696137 944316923 /nfs/dbraw/zinc/31/69/23/944316923.db2.gz JHZSYNMUYNRYKJ-UHFFFAOYSA-N 1 0 361.902 3.806 20 30 FHEDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000438062301 944321864 /nfs/dbraw/zinc/32/18/64/944321864.db2.gz NBZRUZFUYLBSIT-OAHLLOKOSA-N 1 0 352.438 3.812 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505823256 944323771 /nfs/dbraw/zinc/32/37/71/944323771.db2.gz CPESECFMDYZEPQ-FPOVZHCZSA-N 1 0 367.489 3.556 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCCNc1nc2cc(C#N)c(C#N)cc2nc1Cl ZINC001167751146 944336804 /nfs/dbraw/zinc/33/68/04/944336804.db2.gz GJPVGSJGXVHYHY-ZDUSSCGKSA-N 1 0 368.872 3.703 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000506484598 944344202 /nfs/dbraw/zinc/34/42/02/944344202.db2.gz YSNGOSVEUBHEAM-RBUKOAKNSA-N 1 0 350.510 3.897 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCc2csc(-c3ccco3)n2)cc1Cl ZINC000123598222 944387318 /nfs/dbraw/zinc/38/73/18/944387318.db2.gz DWXUKJUBMADGKH-UHFFFAOYSA-N 1 0 362.842 3.992 20 30 FHEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000614516494 944394912 /nfs/dbraw/zinc/39/49/12/944394912.db2.gz VMZSVUDXAAZLCK-SFHVURJKSA-N 1 0 360.417 3.616 20 30 FHEDRO CC(C)[C@@H](CNC(=O)C1(C#N)CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000518490734 944423008 /nfs/dbraw/zinc/42/30/08/944423008.db2.gz SARVCLRDFISYKJ-HXUWFJFHSA-N 1 0 353.510 3.660 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(OCC#N)c1 ZINC000048509678 944445527 /nfs/dbraw/zinc/44/55/27/944445527.db2.gz VAEGDAVWTIWMRY-UHFFFAOYSA-N 1 0 366.465 3.751 20 30 FHEDRO Cc1[nH]c2ccc(CNC(=[NH2+])Nc3ccc4c(c3)OCCCO4)cc2c1C ZINC000261982230 944449580 /nfs/dbraw/zinc/44/95/80/944449580.db2.gz IOQYTDQXZZXFLF-UHFFFAOYSA-N 1 0 364.449 3.873 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000518509755 944454819 /nfs/dbraw/zinc/45/48/19/944454819.db2.gz OAUYDVLXVGAPIW-QGZVFWFLSA-N 1 0 359.514 3.875 20 30 FHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000517630528 944465251 /nfs/dbraw/zinc/46/52/51/944465251.db2.gz IBHFAVLHSKZICS-SFHVURJKSA-N 1 0 354.837 3.802 20 30 FHEDRO COCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCSC1 ZINC000566650178 944472423 /nfs/dbraw/zinc/47/24/23/944472423.db2.gz RLOKAVDVBDUSJB-HNNXBMFYSA-N 1 0 358.429 3.921 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000517647043 944478745 /nfs/dbraw/zinc/47/87/45/944478745.db2.gz SQLIQCICPRYQAC-QHCPKHFHSA-N 1 0 360.505 3.975 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000187908939 944504718 /nfs/dbraw/zinc/50/47/18/944504718.db2.gz IIQHFZCDGYPCER-RBBKRZOGSA-N 1 0 374.525 3.567 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC(Cc3ccccc3Cl)C2)CC1 ZINC000439307902 944529844 /nfs/dbraw/zinc/52/98/44/944529844.db2.gz SAHPWPXGMMNLFU-UHFFFAOYSA-N 1 0 361.917 3.564 20 30 FHEDRO CC(C)C[C@H](CNC(=O)Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000517714872 944530205 /nfs/dbraw/zinc/53/02/05/944530205.db2.gz PQUMHMPIMJLHPG-XMSQKQJNSA-N 1 0 363.505 3.982 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000516154161 944541773 /nfs/dbraw/zinc/54/17/73/944541773.db2.gz GLLNUZAFNUTYRG-XMSQKQJNSA-N 1 0 373.541 3.903 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCc4cc(Cl)ccc43)C2=O)cc1 ZINC000506217570 944552876 /nfs/dbraw/zinc/55/28/76/944552876.db2.gz JKVYSMBURWXTGC-VQTJNVASSA-N 1 0 365.864 3.984 20 30 FHEDRO C[C@H](C[N@H+](C)CC(=O)Nc1ccccc1SCC#N)c1ccccc1 ZINC000066854008 944639204 /nfs/dbraw/zinc/63/92/04/944639204.db2.gz HZKLIDMYCUYWOD-MRXNPFEDSA-N 1 0 353.491 3.976 20 30 FHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418469894 944656007 /nfs/dbraw/zinc/65/60/07/944656007.db2.gz UQCRPHNTTCCDLJ-INIZCTEOSA-N 1 0 350.466 3.700 20 30 FHEDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000418467495 944663571 /nfs/dbraw/zinc/66/35/71/944663571.db2.gz AAPUXWDKILOGBV-NDXORKPFSA-N 1 0 362.477 3.688 20 30 FHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438492632 944685680 /nfs/dbraw/zinc/68/56/80/944685680.db2.gz PLBRZGBYBNVVKG-XXBNENTESA-N 1 0 361.489 3.985 20 30 FHEDRO CCCCCCCC(=O)N1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001270134230 944704144 /nfs/dbraw/zinc/70/41/44/944704144.db2.gz JLRBHYYIHOPCIK-NRFANRHFSA-N 1 0 360.546 3.558 20 30 FHEDRO Cc1nc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)cc1C#N ZINC000383074042 944707990 /nfs/dbraw/zinc/70/79/90/944707990.db2.gz RWTDEWATXHCHPZ-QGZVFWFLSA-N 1 0 354.885 3.873 20 30 FHEDRO Cc1nc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)cc1C#N ZINC000383074035 944708004 /nfs/dbraw/zinc/70/80/04/944708004.db2.gz RWTDEWATXHCHPZ-KRWDZBQOSA-N 1 0 354.885 3.873 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H]2C[C@H](CO)c3ccccc32)ccc1OC ZINC000364444094 944720389 /nfs/dbraw/zinc/72/03/89/944720389.db2.gz UWYHINOFPSIGHR-XLIONFOSSA-N 1 0 353.462 3.961 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000425637696 944720915 /nfs/dbraw/zinc/72/09/15/944720915.db2.gz YNKLJDJPOSCFQE-MRXNPFEDSA-N 1 0 366.465 3.724 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000425637694 944721148 /nfs/dbraw/zinc/72/11/48/944721148.db2.gz YNKLJDJPOSCFQE-INIZCTEOSA-N 1 0 366.465 3.724 20 30 FHEDRO CCN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000511661376 944743910 /nfs/dbraw/zinc/74/39/10/944743910.db2.gz CHPKZLMBPGGRAP-WIYYLYMNSA-N 1 0 373.504 3.863 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCc2sc(C)nc21)C(C)C ZINC000426423638 944749213 /nfs/dbraw/zinc/74/92/13/944749213.db2.gz BHDXADZLCOIWBG-SJORKVTESA-N 1 0 361.555 3.686 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCc2sc(C)nc21)C(C)C ZINC000426423628 944750250 /nfs/dbraw/zinc/75/02/50/944750250.db2.gz BHDXADZLCOIWBG-DLBZAZTESA-N 1 0 361.555 3.686 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000506613861 944754817 /nfs/dbraw/zinc/75/48/17/944754817.db2.gz FKRHOLLLKAJFSO-SJORKVTESA-N 1 0 350.462 3.707 20 30 FHEDRO COc1cccc(Cl)c1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000566765006 944761132 /nfs/dbraw/zinc/76/11/32/944761132.db2.gz VTVZAOVNBPETMH-UHFFFAOYSA-N 1 0 357.885 3.784 20 30 FHEDRO C[C@@H]1C[NH+](C(C)(C)CNc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000518815191 944809234 /nfs/dbraw/zinc/80/92/34/944809234.db2.gz AZKYJHJPDDPYRH-CHWSQXEVSA-N 1 0 355.404 3.877 20 30 FHEDRO C[C@@H]([N@@H+](Cc1ccccc1)C[C@@H]1CNc2c(C#N)cnn2C1)C(C)(C)C ZINC000517936929 944850054 /nfs/dbraw/zinc/85/00/54/944850054.db2.gz CKNHXZFRIUMAEW-AEFFLSMTSA-N 1 0 351.498 3.733 20 30 FHEDRO C=CCOc1ccc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1OC ZINC000518864943 944862329 /nfs/dbraw/zinc/86/23/29/944862329.db2.gz GAJBOVJMFHRJKA-LNLFQRSKSA-N 1 0 372.509 3.737 20 30 FHEDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000438629516 944863799 /nfs/dbraw/zinc/86/37/99/944863799.db2.gz NMHCRVGBQYZUFD-UHFFFAOYSA-N 1 0 362.477 3.858 20 30 FHEDRO N#Cc1c(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cccc1C(F)F ZINC000517960939 944875481 /nfs/dbraw/zinc/87/54/81/944875481.db2.gz LSBHTFIXALZUOR-HZPDHXFCSA-N 1 0 357.404 3.543 20 30 FHEDRO N#Cc1c(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cccc1C(F)F ZINC000517960942 944875822 /nfs/dbraw/zinc/87/58/22/944875822.db2.gz LSBHTFIXALZUOR-JKSUJKDBSA-N 1 0 357.404 3.543 20 30 FHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438640277 944875868 /nfs/dbraw/zinc/87/58/68/944875868.db2.gz GDZVSXPKGHMDMI-OLZOCXBDSA-N 1 0 368.403 3.819 20 30 FHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438640390 944875902 /nfs/dbraw/zinc/87/59/02/944875902.db2.gz GYYCAMYHCAKFRD-GFCCVEGCSA-N 1 0 354.376 3.573 20 30 FHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1OC ZINC000120720717 944876946 /nfs/dbraw/zinc/87/69/46/944876946.db2.gz CEGPNHCFSGWEKY-UHFFFAOYSA-N 1 0 354.450 3.996 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000505916564 944884485 /nfs/dbraw/zinc/88/44/85/944884485.db2.gz FUJJBCKHNQNBDT-UHFFFAOYSA-N 1 0 353.853 3.560 20 30 FHEDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000426854098 944889371 /nfs/dbraw/zinc/88/93/71/944889371.db2.gz PPYCFUHBKOVPNX-UHFFFAOYSA-N 1 0 355.869 3.724 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cc1OC ZINC000439701268 944905955 /nfs/dbraw/zinc/90/59/55/944905955.db2.gz JHHBUMNODRUJKT-SFHVURJKSA-N 1 0 360.498 3.500 20 30 FHEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000439728154 944908725 /nfs/dbraw/zinc/90/87/25/944908725.db2.gz OCIZVQKRRHZTEQ-UHFFFAOYSA-N 1 0 373.460 3.732 20 30 FHEDRO COc1c(F)cc(F)cc1CN1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143562107 944933098 /nfs/dbraw/zinc/93/30/98/944933098.db2.gz BAYHIPRGLVZAGM-KRWDZBQOSA-N 1 0 358.388 3.888 20 30 FHEDRO CC[N@H+](CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)C1CC1 ZINC000518916363 944936405 /nfs/dbraw/zinc/93/64/05/944936405.db2.gz CWENKWYZAGCRGR-UHFFFAOYSA-N 1 0 363.461 3.759 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000426128918 944986371 /nfs/dbraw/zinc/98/63/71/944986371.db2.gz PFNINDYZWQIVHR-MRXNPFEDSA-N 1 0 354.841 3.608 20 30 FHEDRO Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)n2c3ccccc3nc2c1C#N ZINC000518065304 944988572 /nfs/dbraw/zinc/98/85/72/944988572.db2.gz BVMUGLBOLPTYFC-QGZVFWFLSA-N 1 0 359.477 3.732 20 30 FHEDRO CC(C)n1cc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cn1 ZINC000437102532 945011037 /nfs/dbraw/zinc/01/10/37/945011037.db2.gz GVGFQYVWECURDG-MNNVXMFVSA-N 1 0 353.470 3.771 20 30 FHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCc1ccc(CC#N)cc1)[NH+](C)C ZINC000516566424 945015469 /nfs/dbraw/zinc/01/54/69/945015469.db2.gz ZHAPCGCMARKUOF-UTKZUKDTSA-N 1 0 364.493 3.552 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000437851655 945034275 /nfs/dbraw/zinc/03/42/75/945034275.db2.gz OYHOEBUQUAVNLH-FQEVSTJZSA-N 1 0 351.494 3.503 20 30 FHEDRO N#Cc1cccc(OCCC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000511762719 945039777 /nfs/dbraw/zinc/03/97/77/945039777.db2.gz NVOYHUDVWGQOEN-VJBWXMMDSA-N 1 0 362.473 3.832 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000507230553 945051779 /nfs/dbraw/zinc/05/17/79/945051779.db2.gz OJWKSBPLXBXWCZ-GJZGRUSLSA-N 1 0 368.506 3.878 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCNC(=O)CC2CCCC2)CC1 ZINC000507637826 945385308 /nfs/dbraw/zinc/38/53/08/945385308.db2.gz SAFWYEYEJXTLAF-UHFFFAOYSA-N 1 0 353.510 3.677 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1C(C)C ZINC000330172662 945387971 /nfs/dbraw/zinc/38/79/71/945387971.db2.gz GPLSXNKMRWWKKJ-SJORKVTESA-N 1 0 361.534 3.767 20 30 FHEDRO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC000440312492 945393860 /nfs/dbraw/zinc/39/38/60/945393860.db2.gz FBAYYITYXNPCJR-DEOSSOPVSA-N 1 0 373.500 3.545 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2nncn2-c2ccccc2)CC1 ZINC000507646374 945414705 /nfs/dbraw/zinc/41/47/05/945414705.db2.gz XIZBBPFLHGHWML-UHFFFAOYSA-N 1 0 357.461 3.761 20 30 FHEDRO Cn1cnc(-c2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)c2)n1 ZINC000330252728 945426712 /nfs/dbraw/zinc/42/67/12/945426712.db2.gz AFJFZWZTAMRSKY-SFHVURJKSA-N 1 0 353.470 3.867 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Br)c1 ZINC000330255223 945428032 /nfs/dbraw/zinc/42/80/32/945428032.db2.gz JWGLZBXWCQXCCT-LKTVYLICSA-N 1 0 353.260 3.583 20 30 FHEDRO CN(CCC#N)c1ccc(CNCc2c(F)cc(F)c(F)c2F)cc1 ZINC000280879604 945449105 /nfs/dbraw/zinc/44/91/05/945449105.db2.gz DWXOKKOXMPCCLG-UHFFFAOYSA-N 1 0 351.347 3.883 20 30 FHEDRO CC[N@H+](C[C@@H](O)COc1ccc(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000507701197 945466304 /nfs/dbraw/zinc/46/63/04/945466304.db2.gz IZTHXSFNYULJJH-GHTZIAJQSA-N 1 0 352.478 3.998 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415011597 945474654 /nfs/dbraw/zinc/47/46/54/945474654.db2.gz QUTHLIYAZVIPGP-NVXWUHKLSA-N 1 0 350.422 3.742 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000519491295 945481797 /nfs/dbraw/zinc/48/17/97/945481797.db2.gz LUNXXJVYGMAHAD-UHFFFAOYSA-N 1 0 350.422 3.851 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CC[NH2+]CC1 ZINC000415013011 945482729 /nfs/dbraw/zinc/48/27/29/945482729.db2.gz UHRYGJWXCFEMNL-UHFFFAOYSA-N 1 0 350.422 3.566 20 30 FHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000519493507 945487586 /nfs/dbraw/zinc/48/75/86/945487586.db2.gz AZIWBQAYHMQNFQ-HOJAQTOUSA-N 1 0 356.514 3.588 20 30 FHEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000467411504 945492146 /nfs/dbraw/zinc/49/21/46/945492146.db2.gz OINFDJKXAMYELI-RDJZCZTQSA-N 1 0 362.495 3.763 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000473615615 945496563 /nfs/dbraw/zinc/49/65/63/945496563.db2.gz QHNNCTHVXIHICI-RBBKRZOGSA-N 1 0 358.526 3.805 20 30 FHEDRO COc1cccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000262017419 945520457 /nfs/dbraw/zinc/52/04/57/945520457.db2.gz WRQIVOKQRZXQBU-JTQLQIEISA-N 1 0 353.253 3.563 20 30 FHEDRO N#CC1(CCC[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)CCOCC1 ZINC000281142119 945537848 /nfs/dbraw/zinc/53/78/48/945537848.db2.gz ATEUUWYICGZRSP-UHFFFAOYSA-N 1 0 373.472 3.577 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000125055863 945538009 /nfs/dbraw/zinc/53/80/09/945538009.db2.gz KNUGRIRPKKTGIO-KRWDZBQOSA-N 1 0 357.841 3.680 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000025664011 945553455 /nfs/dbraw/zinc/55/34/55/945553455.db2.gz NDVGYLLYTPSXAX-CXAGYDPISA-N 1 0 364.367 3.668 20 30 FHEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1 ZINC000281217824 945557552 /nfs/dbraw/zinc/55/75/52/945557552.db2.gz TWBAHQTUUKDBPR-NVXWUHKLSA-N 1 0 350.890 3.727 20 30 FHEDRO CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000262021367 945582463 /nfs/dbraw/zinc/58/24/63/945582463.db2.gz YBJBILJCASTGKL-LEWJYISDSA-N 1 0 351.494 3.862 20 30 FHEDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000550308940 945585442 /nfs/dbraw/zinc/58/54/42/945585442.db2.gz BMCQAKBIQZFHDM-VGOFRKELSA-N 1 0 350.462 3.778 20 30 FHEDRO C[NH+](C)CCOc1ccc(-c2noc(C3(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000519674326 945624820 /nfs/dbraw/zinc/62/48/20/945624820.db2.gz ZQQHGIWZGMHKEU-UHFFFAOYSA-N 1 0 374.444 3.629 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000550048149 945632197 /nfs/dbraw/zinc/63/21/97/945632197.db2.gz CHXJNRXWIZGCGT-NVXWUHKLSA-N 1 0 357.523 3.999 20 30 FHEDRO Cc1nc2c(n1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000330347355 945636774 /nfs/dbraw/zinc/63/67/74/945636774.db2.gz HMXUCZXMFKXPLC-MAUKXSAKSA-N 1 0 358.530 3.995 20 30 FHEDRO C=CCC1(S(=O)(=O)N2CC3(C2)CC[N@@H+](C[C@@H](CC)CCCC)C3)CC1 ZINC001279835306 945693995 /nfs/dbraw/zinc/69/39/95/945693995.db2.gz SHUIUEOEJPOBKI-SFHVURJKSA-N 1 0 368.587 3.649 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccccc1CC ZINC000027311616 945695340 /nfs/dbraw/zinc/69/53/40/945695340.db2.gz OYWDYNSQGSBJOB-UHFFFAOYSA-O 1 0 369.510 3.650 20 30 FHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2ccc(C#N)c(C)c2)c1 ZINC000444006688 945700802 /nfs/dbraw/zinc/70/08/02/945700802.db2.gz XZXLBGWOXNGQPK-UHFFFAOYSA-N 1 0 364.493 3.550 20 30 FHEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000519744606 945709132 /nfs/dbraw/zinc/70/91/32/945709132.db2.gz SPFUPTCAWZDJEJ-KRWDZBQOSA-N 1 0 367.415 3.570 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@@]12CCc1ccccc12)C(C)C ZINC000440636321 945732097 /nfs/dbraw/zinc/73/20/97/945732097.db2.gz FLGKSEYTUBSHFQ-MQSCRBSSSA-N 1 0 352.522 3.705 20 30 FHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000519794220 945748073 /nfs/dbraw/zinc/74/80/73/945748073.db2.gz SLHMAGVYHMCYHH-QGZVFWFLSA-N 1 0 371.554 3.956 20 30 FHEDRO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000444054574 945759130 /nfs/dbraw/zinc/75/91/30/945759130.db2.gz FJCNWIIVPRJCET-UHFFFAOYSA-N 1 0 357.479 3.509 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC[NH2+]1 ZINC000519808342 945774644 /nfs/dbraw/zinc/77/46/44/945774644.db2.gz JGFZMXBWUIRQGW-RHSMWYFYSA-N 1 0 366.490 3.971 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccco3)CC2)c(OC)c1 ZINC000661165689 945803543 /nfs/dbraw/zinc/80/35/43/945803543.db2.gz YFSNMBVAYJEOMY-IBGZPJMESA-N 1 0 371.477 3.636 20 30 FHEDRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1CCC(C#N)CC1 ZINC000281711476 945813918 /nfs/dbraw/zinc/81/39/18/945813918.db2.gz ONCGZVHOMJAAQO-UHFFFAOYSA-N 1 0 354.903 3.553 20 30 FHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000519854554 945823049 /nfs/dbraw/zinc/82/30/49/945823049.db2.gz YLUUPFHKPKHKKW-GOSISDBHSA-N 1 0 364.449 3.949 20 30 FHEDRO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(C(F)(F)F)c1 ZINC000519907701 945872733 /nfs/dbraw/zinc/87/27/33/945872733.db2.gz WCSCWRDIDGROIG-SFHVURJKSA-N 1 0 367.415 3.724 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(Nc2ccccc2)c1 ZINC000522811907 945890707 /nfs/dbraw/zinc/89/07/07/945890707.db2.gz UHZILSORJHNPNW-UHFFFAOYSA-N 1 0 350.466 3.738 20 30 FHEDRO CCC[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482268 945890836 /nfs/dbraw/zinc/89/08/36/945890836.db2.gz AAMKOOUPYDBEIU-KRWDZBQOSA-N 1 0 361.461 3.919 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000519923675 945901857 /nfs/dbraw/zinc/90/18/57/945901857.db2.gz FZKKQKNQWWKUIG-MOPGFXCFSA-N 1 0 370.541 3.989 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000439694933 945929715 /nfs/dbraw/zinc/92/97/15/945929715.db2.gz JUBMMPRQEMTDPJ-FQEVSTJZSA-N 1 0 371.525 3.734 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000188092664 945955214 /nfs/dbraw/zinc/95/52/14/945955214.db2.gz HANRXTNHYYBORR-AWEZNQCLSA-N 1 0 369.431 3.759 20 30 FHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1c(C)cc(C#N)cc1C ZINC001271405245 946000442 /nfs/dbraw/zinc/00/04/42/946000442.db2.gz UNKLSDOCDDGXMX-GGAORHGYSA-N 1 0 373.500 3.861 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC[NH2+]1 ZINC000662796931 946012783 /nfs/dbraw/zinc/01/27/83/946012783.db2.gz DHVPXUCXRUTCHP-WBMJQRKESA-N 1 0 373.444 3.566 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)CCC[NH2+]1 ZINC000662803892 946029546 /nfs/dbraw/zinc/02/95/46/946029546.db2.gz VLKJDACDQJHHQB-QGZVFWFLSA-N 1 0 373.280 3.655 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123976203 946054129 /nfs/dbraw/zinc/05/41/29/946054129.db2.gz GONJLUCELVLPKP-HIFRSBDPSA-N 1 0 370.415 3.825 20 30 FHEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662824046 946065748 /nfs/dbraw/zinc/06/57/48/946065748.db2.gz VIVNDGXYMPOZPM-DTWKUNHWSA-N 1 0 374.300 3.832 20 30 FHEDRO C#Cc1ccc(C(=O)N(CCC)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000728821567 946073815 /nfs/dbraw/zinc/07/38/15/946073815.db2.gz AKSVCYAMPSXEIA-JOCHJYFZSA-N 1 0 361.489 3.580 20 30 FHEDRO C=CC[C@@]1(C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)CCC[NH2+]1 ZINC000662826746 946074784 /nfs/dbraw/zinc/07/47/84/946074784.db2.gz CHYJMYFKDUBILJ-NRFANRHFSA-N 1 0 355.457 3.711 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000661415693 946082462 /nfs/dbraw/zinc/08/24/62/946082462.db2.gz TXEYCUJYLIUZGM-ICSRJNTNSA-N 1 0 356.514 3.732 20 30 FHEDRO N#Cc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000522905161 946083791 /nfs/dbraw/zinc/08/37/91/946083791.db2.gz YREQBTMYGMPZDR-HXUWFJFHSA-N 1 0 367.880 3.707 20 30 FHEDRO COc1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1C#N ZINC000827984118 946088994 /nfs/dbraw/zinc/08/89/94/946088994.db2.gz ATCAXFPABXJGGU-MRXNPFEDSA-N 1 0 363.461 3.522 20 30 FHEDRO N#CC1CCC(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000440990311 946092030 /nfs/dbraw/zinc/09/20/30/946092030.db2.gz MNKRVRONZNUWHZ-UHFFFAOYSA-N 1 0 368.525 3.802 20 30 FHEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511892930 946331355 /nfs/dbraw/zinc/33/13/55/946331355.db2.gz WWIXHRYWTSTSGD-IAGOWNOFSA-N 1 0 367.415 3.693 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000475108960 946389348 /nfs/dbraw/zinc/38/93/48/946389348.db2.gz PKZKQXHJOJBHRT-GGPKGHCWSA-N 1 0 355.526 3.947 20 30 FHEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000262514460 946436635 /nfs/dbraw/zinc/43/66/35/946436635.db2.gz FOKYNNXDCCTXTC-DAXOMENPSA-N 1 0 359.832 3.763 20 30 FHEDRO [NH2+]=C(NC[C@H](c1ccccc1)C(F)(F)F)N[C@H]1CCOc2ccccc21 ZINC000262429332 946439734 /nfs/dbraw/zinc/43/97/34/946439734.db2.gz IYEBDWWZIYEQMF-CVEARBPZSA-N 1 0 363.383 3.761 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000473898903 946505243 /nfs/dbraw/zinc/50/52/43/946505243.db2.gz XEZZNWHUZQPMSS-LAUBAEHRSA-N 1 0 360.498 3.575 20 30 FHEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000609916448 946538633 /nfs/dbraw/zinc/53/86/33/946538633.db2.gz OXAVPMQURYUCAV-MJGOQNOKSA-N 1 0 365.452 3.950 20 30 FHEDRO FC1(F)[C@H]2C[N@H+](C[C@@H]3CCSC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897054497 946540966 /nfs/dbraw/zinc/54/09/66/946540966.db2.gz IBCRWPOAHMLIKO-XHNCKOQMSA-N 1 0 369.321 3.842 20 30 FHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000441385323 946560207 /nfs/dbraw/zinc/56/02/07/946560207.db2.gz ZLDMDOTWDFMROQ-FQEVSTJZSA-N 1 0 355.526 3.933 20 30 FHEDRO C=CC[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)C(C)(C)C ZINC000661756448 946583173 /nfs/dbraw/zinc/58/31/73/946583173.db2.gz PLVKBFMZOTVOSW-UHFFFAOYSA-N 1 0 358.404 3.530 20 30 FHEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000523007360 946585017 /nfs/dbraw/zinc/58/50/17/946585017.db2.gz IYWOYYCGJWDKFS-BEFAXECRSA-N 1 0 358.869 3.514 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncc(Br)cc1O ZINC000894963977 946707235 /nfs/dbraw/zinc/70/72/35/946707235.db2.gz IGJATCVQZLUDIJ-OAHLLOKOSA-N 1 0 358.239 3.589 20 30 FHEDRO C[C@@](C#N)(NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000550352249 946717078 /nfs/dbraw/zinc/71/70/78/946717078.db2.gz ZVXDWGYELZGECL-KNQAVFIVSA-N 1 0 353.510 3.877 20 30 FHEDRO [NH2+]=C(NCCc1ccccc1)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000303864412 946717538 /nfs/dbraw/zinc/71/75/38/946717538.db2.gz AXUXOQPBFLXNKL-UHFFFAOYSA-N 1 0 371.912 3.535 20 30 FHEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000475206153 946721630 /nfs/dbraw/zinc/72/16/30/946721630.db2.gz NARNBELDUXIGDX-HBMCJLEFSA-N 1 0 353.510 3.854 20 30 FHEDRO C[C@@H]1C[NH+](Cc2cccc(Nc3ccc([N+](=O)[O-])cc3C#N)c2)C[C@@H](C)O1 ZINC000609964370 946735988 /nfs/dbraw/zinc/73/59/88/946735988.db2.gz ICVUCWIVTUUFIN-HUUCEWRRSA-N 1 0 366.421 3.819 20 30 FHEDRO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867260 946744038 /nfs/dbraw/zinc/74/40/38/946744038.db2.gz WOKAPLNCFCNGCO-OAQYLSRUSA-N 1 0 366.505 3.922 20 30 FHEDRO [NH2+]=C(NCCc1cccs1)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000303981176 946751935 /nfs/dbraw/zinc/75/19/35/946751935.db2.gz OWFCFZKNBOUMDR-UHFFFAOYSA-N 1 0 370.453 3.722 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N(CC)Cc2ccc(OC)c(OC)c2)CCCC1 ZINC000661848568 946754521 /nfs/dbraw/zinc/75/45/21/946754521.db2.gz GFAMJQSDAQSFEL-UHFFFAOYSA-N 1 0 360.498 3.531 20 30 FHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000609469663 946782629 /nfs/dbraw/zinc/78/26/29/946782629.db2.gz ZTSHWVQPCCTVQS-CQSZACIVSA-N 1 0 354.429 3.948 20 30 FHEDRO CCN(CC)C(=[NH2+])NCC1(c2cccc(Br)c2)CCCC1 ZINC000305118265 946820258 /nfs/dbraw/zinc/82/02/58/946820258.db2.gz AOVXKMXRUBVXCM-UHFFFAOYSA-N 1 0 352.320 3.917 20 30 FHEDRO Cc1cc(C#N)cnc1C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000894986946 946823508 /nfs/dbraw/zinc/82/35/08/946823508.db2.gz WTQIEYUZFHOMKF-UHFFFAOYSA-N 1 0 362.355 3.594 20 30 FHEDRO C=C(C)C[N@@H+](Cc1c(C)nn(CC(=O)OCC)c1C)Cc1ccccc1 ZINC000475288190 946826279 /nfs/dbraw/zinc/82/62/79/946826279.db2.gz XHCXSWLRVWHGBV-UHFFFAOYSA-N 1 0 355.482 3.641 20 30 FHEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)cc1 ZINC000897320052 946828073 /nfs/dbraw/zinc/82/80/73/946828073.db2.gz IWVCTUCCCLCQPX-OAHLLOKOSA-N 1 0 360.417 3.627 20 30 FHEDRO C=CCOc1ccc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000113093041 946830754 /nfs/dbraw/zinc/83/07/54/946830754.db2.gz JKSQMACLGCBHRO-UHFFFAOYSA-N 1 0 364.489 3.988 20 30 FHEDRO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N(C)c1ccccc1 ZINC000305251499 946839305 /nfs/dbraw/zinc/83/93/05/946839305.db2.gz VELPFTKGLDYJDN-ZDUSSCGKSA-N 1 0 366.387 3.837 20 30 FHEDRO C[C@H](NC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)cc1Cl ZINC000305252095 946839418 /nfs/dbraw/zinc/83/94/18/946839418.db2.gz IOSKCMDHVUJQAA-CEFQPYBMSA-N 1 0 368.308 3.916 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000049799186 946845396 /nfs/dbraw/zinc/84/53/96/946845396.db2.gz BOLSNEFAOLRMIE-OAQYLSRUSA-N 1 0 364.493 3.565 20 30 FHEDRO COc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1OC ZINC000262547185 946866379 /nfs/dbraw/zinc/86/63/79/946866379.db2.gz VWKOXPGLCUNNIZ-BXUZGUMPSA-N 1 0 363.820 3.779 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475312175 946867399 /nfs/dbraw/zinc/86/73/99/946867399.db2.gz KMQGJYSUDNWEHJ-FQEVSTJZSA-N 1 0 367.468 3.803 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475322815 946899038 /nfs/dbraw/zinc/89/90/38/946899038.db2.gz SOUYNSQYPLOHLN-QFIPXVFZSA-N 1 0 374.488 3.536 20 30 FHEDRO CCc1nc(NC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)sc1C ZINC000328648796 946965260 /nfs/dbraw/zinc/96/52/60/946965260.db2.gz IHKURYPBLLSEDW-AWEZNQCLSA-N 1 0 373.526 3.972 20 30 FHEDRO Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000328656332 946966415 /nfs/dbraw/zinc/96/64/15/946966415.db2.gz NRIWHWLWNRJZQL-PMACEKPBSA-N 1 0 366.509 3.938 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000328654511 946966738 /nfs/dbraw/zinc/96/67/38/946966738.db2.gz LUXDCDIIMAPLCP-KRWDZBQOSA-N 1 0 372.513 3.775 20 30 FHEDRO O=C(NCc1nc(C2CC2)cs1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000328597322 946976453 /nfs/dbraw/zinc/97/64/53/946976453.db2.gz ABZLPSVQKZXGIA-INIZCTEOSA-N 1 0 362.543 3.821 20 30 FHEDRO C[C@H](C1CCCCC1)N(C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000328719506 946980276 /nfs/dbraw/zinc/98/02/76/946980276.db2.gz VOTDSTLHYQQVLY-NSISKUIASA-N 1 0 365.562 3.569 20 30 FHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000475382692 946990248 /nfs/dbraw/zinc/99/02/48/946990248.db2.gz WGKCFOJBIRYLCD-IZZBFERCSA-N 1 0 353.510 3.938 20 30 FHEDRO COc1ccc(-c2ccc(C)c(NC(=O)N3CC[N@H+](C)[C@H](C)[C@H]3C)c2)cn1 ZINC000328713485 947001297 /nfs/dbraw/zinc/00/12/97/947001297.db2.gz RZXCOWXMLITMCV-HZPDHXFCSA-N 1 0 368.481 3.636 20 30 FHEDRO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328807667 947029999 /nfs/dbraw/zinc/02/99/99/947029999.db2.gz MFFSGSVWPLCWGR-QLIIJSOBSA-N 1 0 374.525 3.650 20 30 FHEDRO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328811056 947032276 /nfs/dbraw/zinc/03/22/76/947032276.db2.gz MTAXCCSSDHHHRQ-UUXHPUJUSA-N 1 0 360.498 3.648 20 30 FHEDRO O=C(NCCc1cccc2[nH]ccc21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000328814472 947033871 /nfs/dbraw/zinc/03/38/71/947033871.db2.gz PIKAWQHVUJOJTG-GOSISDBHSA-N 1 0 354.498 3.575 20 30 FHEDRO CC(C)C[N@H+](CCCC1(C#N)CCOCC1)C[C@H](O)c1ccc(F)cc1 ZINC000281999283 947039060 /nfs/dbraw/zinc/03/90/60/947039060.db2.gz NLDCRMKLOSMTQU-FQEVSTJZSA-N 1 0 362.489 3.918 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000328831802 947054974 /nfs/dbraw/zinc/05/49/74/947054974.db2.gz RIOGPRWOGCCBJE-HOJAQTOUSA-N 1 0 371.525 3.675 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328865804 947073383 /nfs/dbraw/zinc/07/33/83/947073383.db2.gz ZRPXBVPUJBHINZ-QZTJIDSGSA-N 1 0 365.562 3.740 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000328879215 947080127 /nfs/dbraw/zinc/08/01/27/947080127.db2.gz JRXDRLBJCRPVAR-HZPDHXFCSA-N 1 0 365.543 3.915 20 30 FHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnn(C)c2C2CC2)CC1 ZINC000328884781 947082521 /nfs/dbraw/zinc/08/25/21/947082521.db2.gz OAYWFWWXGJQYTD-HNNXBMFYSA-N 1 0 352.482 3.828 20 30 FHEDRO C[C@H](CNC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000328941944 947095345 /nfs/dbraw/zinc/09/53/45/947095345.db2.gz FLKZVFLYQRPDME-GPMSIDNRSA-N 1 0 373.497 3.879 20 30 FHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCSc2ccccc21 ZINC000328952849 947099567 /nfs/dbraw/zinc/09/95/67/947099567.db2.gz NYRPMPQJSIUUJC-QRVBRYPASA-N 1 0 374.550 3.990 20 30 FHEDRO C[C@@H]1C[C@H](C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CCC1=O ZINC000328954769 947101095 /nfs/dbraw/zinc/10/10/95/947101095.db2.gz MYKWQTRCKGNDNY-SJLPKXTDSA-N 1 0 369.509 3.812 20 30 FHEDRO C[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)CCC1=O ZINC000328905504 947102045 /nfs/dbraw/zinc/10/20/45/947102045.db2.gz KCIPAOMOMVOWNX-KBPBESRZSA-N 1 0 363.889 3.685 20 30 FHEDRO CC(=O)N[C@H](CC(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccs1 ZINC000328918122 947107354 /nfs/dbraw/zinc/10/73/54/947107354.db2.gz BEKVJBBIJJZZKJ-QGZVFWFLSA-N 1 0 363.527 3.633 20 30 FHEDRO CSc1ccc(F)cc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262496410 947126795 /nfs/dbraw/zinc/12/67/95/947126795.db2.gz YFWFWDMAERZMIV-UHFFFAOYSA-N 1 0 361.442 3.636 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417998797 947148022 /nfs/dbraw/zinc/14/80/22/947148022.db2.gz VGALQHHVSOXOCK-IERDGZPVSA-N 1 0 362.477 3.637 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000567705058 947164327 /nfs/dbraw/zinc/16/43/27/947164327.db2.gz NOMHMUIXYIWSLL-YAJHFMINSA-N 1 0 353.510 3.534 20 30 FHEDRO C=CC[C@@H]1[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CCCC1(C)C ZINC000444778963 947216353 /nfs/dbraw/zinc/21/63/53/947216353.db2.gz KFDZEYLKXGEKQQ-SFHVURJKSA-N 1 0 350.528 3.504 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301187887 947222719 /nfs/dbraw/zinc/22/27/19/947222719.db2.gz TZNQWGSBHGRMAP-UHFFFAOYSA-N 1 0 367.453 3.813 20 30 FHEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CCCC1(C)C ZINC000444790482 947232155 /nfs/dbraw/zinc/23/21/55/947232155.db2.gz JCFZUCZFXROKHT-LJQANCHMSA-N 1 0 369.509 3.584 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000246321642 947250359 /nfs/dbraw/zinc/25/03/59/947250359.db2.gz IISNEPFMOMXEMA-CRAIPNDOSA-N 1 0 360.523 3.921 20 30 FHEDRO N#Cc1cccc(C(=O)N2CCC[C@]3(CCC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001271497407 947271477 /nfs/dbraw/zinc/27/14/77/947271477.db2.gz QPIRXEGWWDYVFD-QFIPXVFZSA-N 1 0 351.494 3.819 20 30 FHEDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000330778783 947271705 /nfs/dbraw/zinc/27/17/05/947271705.db2.gz LRMCEYAFNMYBKO-UHFFFAOYSA-N 1 0 359.348 3.650 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000487378236 947290926 /nfs/dbraw/zinc/29/09/26/947290926.db2.gz MCUUUOJSPKGWLO-UHFFFAOYSA-N 1 0 358.489 3.677 20 30 FHEDRO CC[C@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)c1c(C)nn(C)c1C ZINC000330935368 947312479 /nfs/dbraw/zinc/31/24/79/947312479.db2.gz MXRPUELQCFBCHQ-VHFSOBRXSA-N 1 0 363.550 3.502 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000330942742 947313999 /nfs/dbraw/zinc/31/39/99/947313999.db2.gz GVQWCCGTBFPCCO-NWDGAFQWSA-N 1 0 354.838 3.598 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2OC)CC1 ZINC000330979436 947326339 /nfs/dbraw/zinc/32/63/39/947326339.db2.gz MGEAAJIRJSJFGD-UHFFFAOYSA-N 1 0 370.291 3.658 20 30 FHEDRO Cc1nn(CC(F)(F)F)cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000331054172 947336227 /nfs/dbraw/zinc/33/62/27/947336227.db2.gz NTINXIHJDZEEMX-CHWSQXEVSA-N 1 0 374.451 3.815 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)C[C@@H]1C ZINC000331109655 947348551 /nfs/dbraw/zinc/34/85/51/947348551.db2.gz HUBLFJBYJPRTQM-FUHWJXTLSA-N 1 0 374.529 3.940 20 30 FHEDRO CC(=O)N(C)c1cccc(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000331175188 947366110 /nfs/dbraw/zinc/36/61/10/947366110.db2.gz PISRZUKXJSAHKD-LJQANCHMSA-N 1 0 360.502 3.506 20 30 FHEDRO CC(C)NC(=O)Nc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC000331191772 947369350 /nfs/dbraw/zinc/36/93/50/947369350.db2.gz WFFHBXQZSXFCMN-UHFFFAOYSA-N 1 0 360.502 3.872 20 30 FHEDRO CCn1cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C(F)(F)F)n1 ZINC000331222597 947372747 /nfs/dbraw/zinc/37/27/47/947372747.db2.gz KUMOBNDLIUJSPK-FRRDWIJNSA-N 1 0 360.424 3.593 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2cc(OC)ccc2Br)CC1 ZINC000331251825 947381547 /nfs/dbraw/zinc/38/15/47/947381547.db2.gz PRQMINBXHPFRPZ-UHFFFAOYSA-N 1 0 370.291 3.658 20 30 FHEDRO COc1cc(C[NH2+]CCNc2cccc(Br)c2)ccc1C#N ZINC000440629388 947412757 /nfs/dbraw/zinc/41/27/57/947412757.db2.gz YGXYVYWTCSFFFM-UHFFFAOYSA-N 1 0 360.255 3.531 20 30 FHEDRO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440628015 947424044 /nfs/dbraw/zinc/42/40/44/947424044.db2.gz VAXZODOOHCIFQT-QUCCMNQESA-N 1 0 373.859 3.894 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440628011 947428454 /nfs/dbraw/zinc/42/84/54/947428454.db2.gz VAXZODOOHCIFQT-ICSRJNTNSA-N 1 0 373.859 3.894 20 30 FHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000523618989 947449260 /nfs/dbraw/zinc/44/92/60/947449260.db2.gz FJBYROYZTAJEBJ-HNNXBMFYSA-N 1 0 358.486 3.589 20 30 FHEDRO C=CCn1c(SCCC[NH+]2CCCC2)nnc1-c1ccccc1OC ZINC000188248412 947481207 /nfs/dbraw/zinc/48/12/07/947481207.db2.gz BVUROAAVUJJWTA-UHFFFAOYSA-N 1 0 358.511 3.718 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549599078 947801660 /nfs/dbraw/zinc/80/16/60/947801660.db2.gz BSNNJSACMZHFQA-GOSISDBHSA-N 1 0 357.546 3.824 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)CCC[NH2+]1 ZINC000662461638 947832643 /nfs/dbraw/zinc/83/26/43/947832643.db2.gz NMPRXNBJKNZICN-LJQANCHMSA-N 1 0 355.463 3.637 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)CCC[NH2+]1 ZINC000662493858 947868006 /nfs/dbraw/zinc/86/80/06/947868006.db2.gz JZZJGBBYAPXGJV-JLTOFOAXSA-N 1 0 355.507 3.994 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)CCC[NH2+]1 ZINC000662501802 947871179 /nfs/dbraw/zinc/87/11/79/947871179.db2.gz FLEPCUPQFRIBNQ-IERDGZPVSA-N 1 0 360.498 3.606 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c(OC)c1 ZINC000441478079 947876926 /nfs/dbraw/zinc/87/69/26/947876926.db2.gz SMILOGUEVQCQMC-GSEOLPGOSA-N 1 0 359.510 3.816 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c(OC)c1 ZINC000441478078 947877372 /nfs/dbraw/zinc/87/73/72/947877372.db2.gz SMILOGUEVQCQMC-AFYVEPGGSA-N 1 0 359.510 3.816 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CCC[NH2+]1 ZINC000662546336 947904728 /nfs/dbraw/zinc/90/47/28/947904728.db2.gz TYJCSUMMDTWWMO-IBGZPJMESA-N 1 0 355.463 3.637 20 30 FHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000520478728 947905590 /nfs/dbraw/zinc/90/55/90/947905590.db2.gz JTUUXFOSBXWBLQ-RTBURBONSA-N 1 0 370.541 3.846 20 30 FHEDRO Cc1cc(C[C@@H](C)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)[nH]n1 ZINC000136774960 947924087 /nfs/dbraw/zinc/92/40/87/947924087.db2.gz GRELWDUMUVATBP-MRXNPFEDSA-N 1 0 360.461 3.890 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CCC[NH2+]1 ZINC000662603172 947927861 /nfs/dbraw/zinc/92/78/61/947927861.db2.gz TXOYDEUAQXAOGN-QGZVFWFLSA-N 1 0 364.371 3.528 20 30 FHEDRO C=CC[C@]1(C(=O)NCc2cc(-c3ccc(OC)cc3)cs2)CCC[NH2+]1 ZINC000662649151 947955971 /nfs/dbraw/zinc/95/59/71/947955971.db2.gz MGOPNWGIFTUIKN-HXUWFJFHSA-N 1 0 356.491 3.738 20 30 FHEDRO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000441486030 947967625 /nfs/dbraw/zinc/96/76/25/947967625.db2.gz MIEJUPANPYMPPJ-BHIYHBOVSA-N 1 0 366.465 3.634 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]/CC(=O)Nc2c(C)cccc2C)c(O)c1 ZINC000005227935 948043691 /nfs/dbraw/zinc/04/36/91/948043691.db2.gz HYKGOCCZLALRIG-LPYMAVHISA-N 1 0 353.466 3.913 20 30 FHEDRO CCCC[N@@H+]1Cc2cccc(N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2C1 ZINC000066967337 948110417 /nfs/dbraw/zinc/11/04/17/948110417.db2.gz HYENOWLYDNTDCQ-KKSFZXQISA-N 1 0 356.514 3.657 20 30 FHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3cc(F)ccc3C1)CCC2 ZINC000091894382 948147383 /nfs/dbraw/zinc/14/73/83/948147383.db2.gz RZUAELDJKMUMNI-UHFFFAOYSA-N 1 0 369.465 3.634 20 30 FHEDRO Cc1ccc(SC2(C[NH2+][C@@H](C)C(=O)N(C)CCC#N)CCCC2)cc1 ZINC000432375862 948274951 /nfs/dbraw/zinc/27/49/51/948274951.db2.gz UBXSFAUFHJTXFE-KRWDZBQOSA-N 1 0 359.539 3.750 20 30 FHEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000585794458 948297860 /nfs/dbraw/zinc/29/78/60/948297860.db2.gz XNHFHQDXHVXWAU-NYHFZMIOSA-N 1 0 364.468 3.974 20 30 FHEDRO CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000507783863 948390662 /nfs/dbraw/zinc/39/06/62/948390662.db2.gz GQJDUMXPUQWDFP-HXUWFJFHSA-N 1 0 352.478 3.846 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)N2CCC(F)(C#N)CC2)[NH+](CC)CC)cc1 ZINC000432434259 948414027 /nfs/dbraw/zinc/41/40/27/948414027.db2.gz MVOFZAAMQAXKAC-IBGZPJMESA-N 1 0 374.504 3.669 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@H]1C(F)(F)F ZINC000895090777 948414825 /nfs/dbraw/zinc/41/48/25/948414825.db2.gz PGGFBISDAHMANZ-BRWVUGGUSA-N 1 0 368.399 3.753 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000614625680 948421477 /nfs/dbraw/zinc/42/14/77/948421477.db2.gz SCDOJPUKYJGFEV-GOSISDBHSA-N 1 0 353.853 3.558 20 30 FHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000182063574 948484296 /nfs/dbraw/zinc/48/42/96/948484296.db2.gz KSTUXVYJYOFHLP-SFHVURJKSA-N 1 0 363.461 3.907 20 30 FHEDRO C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1CC ZINC000512146230 948555929 /nfs/dbraw/zinc/55/59/29/948555929.db2.gz GYSPZTYOXBZGGZ-MRXNPFEDSA-N 1 0 356.466 3.740 20 30 FHEDRO CSC1(CNc2c(C#N)cnc3c(F)cc(F)cc32)CC[NH+](C)CC1 ZINC000520674688 948562325 /nfs/dbraw/zinc/56/23/25/948562325.db2.gz DNEDKBLBAZKTJJ-UHFFFAOYSA-N 1 0 362.449 3.624 20 30 FHEDRO COc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1OCCCC#N ZINC000168986416 948642006 /nfs/dbraw/zinc/64/20/06/948642006.db2.gz OCGQPHFXEGPOSI-QMMLZNLJSA-N 1 0 370.493 3.815 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000549638174 948745299 /nfs/dbraw/zinc/74/52/99/948745299.db2.gz VONXDBRWHOJJRZ-UHFFFAOYSA-N 1 0 365.525 3.832 20 30 FHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000046530246 948750553 /nfs/dbraw/zinc/75/05/53/948750553.db2.gz RQLWUUQIFYDKDW-GOSISDBHSA-N 1 0 360.461 3.634 20 30 FHEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000549638706 948770677 /nfs/dbraw/zinc/77/06/77/948770677.db2.gz ANJFETAQKZMXJP-LJQANCHMSA-N 1 0 357.546 3.652 20 30 FHEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]2CCCC[C@@H]21 ZINC000542040727 948779631 /nfs/dbraw/zinc/77/96/31/948779631.db2.gz WXGBIZYSKILZPD-CKEIUWERSA-N 1 0 357.523 3.948 20 30 FHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000108038511 534418024 /nfs/dbraw/zinc/41/80/24/534418024.db2.gz WUNAUYCEMXYCTB-UHFFFAOYSA-N 1 0 352.478 3.842 20 30 FHEDRO CCCCCc1nc2ccccc2n1C[C@H](O)CC1(C#N)CCOCC1 ZINC000601955225 567885168 /nfs/dbraw/zinc/88/51/68/567885168.db2.gz USQLWVYEIBMVOS-QGZVFWFLSA-N 1 0 355.482 3.840 20 30 FHEDRO C[C@H](NC(=O)N(C)CCC[NH+](C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541830594 567933469 /nfs/dbraw/zinc/93/34/69/567933469.db2.gz SAWJHOYCDGICLL-KRWDZBQOSA-N 1 0 364.493 3.879 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCOc1cccc(Br)c1 ZINC000602518127 567986862 /nfs/dbraw/zinc/98/68/62/567986862.db2.gz KETFSXQVEIECHB-CQSZACIVSA-N 1 0 367.287 3.516 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000602520857 567987172 /nfs/dbraw/zinc/98/71/72/567987172.db2.gz KNOAJIDRPDLQKS-LSDHHAIUSA-N 1 0 350.304 3.805 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000602526272 567987825 /nfs/dbraw/zinc/98/78/25/567987825.db2.gz GTXYCYHNMBXACL-QAPCUYQASA-N 1 0 369.431 3.608 20 30 FHEDRO COc1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c(C(F)(F)F)c1 ZINC000602530583 567988269 /nfs/dbraw/zinc/98/82/69/567988269.db2.gz RZZDPSWVMHGXEG-CYBMUJFWSA-N 1 0 356.388 3.903 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000602508867 567988956 /nfs/dbraw/zinc/98/89/56/567988956.db2.gz BXANDPDSLVYWLU-MRXNPFEDSA-N 1 0 355.482 3.614 20 30 FHEDRO N#CC1CCC([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000602552547 567990855 /nfs/dbraw/zinc/99/08/55/567990855.db2.gz UTGSBCUWWUUAAI-UYJHFMRCSA-N 1 0 351.416 3.952 20 30 FHEDRO N#CC1CCC([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000602553205 567991036 /nfs/dbraw/zinc/99/10/36/567991036.db2.gz WMRUXNYKXAIMPN-NRXISQOPSA-N 1 0 353.388 3.836 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000602555079 567991180 /nfs/dbraw/zinc/99/11/80/567991180.db2.gz HAPYOLPCCBTQGB-AWEZNQCLSA-N 1 0 351.288 3.984 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000602533914 567992074 /nfs/dbraw/zinc/99/20/74/567992074.db2.gz QRAZHPKAIRDWDO-IRXDYDNUSA-N 1 0 361.917 3.855 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000602540112 567992879 /nfs/dbraw/zinc/99/28/79/567992879.db2.gz VVWWRXXZSKLDLD-CQSZACIVSA-N 1 0 356.388 3.773 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000602570801 567996052 /nfs/dbraw/zinc/99/60/52/567996052.db2.gz UEHCQJDUXYWMLN-HNNXBMFYSA-N 1 0 364.331 3.943 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000521423920 567996722 /nfs/dbraw/zinc/99/67/22/567996722.db2.gz FSCBCXZCTVNXDZ-IFMALSPDSA-N 1 0 350.462 3.915 20 30 FHEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000162641385 568000111 /nfs/dbraw/zinc/00/01/11/568000111.db2.gz RWERRJPZHZUTQR-UHFFFAOYSA-N 1 0 369.509 3.594 20 30 FHEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000602599894 568000459 /nfs/dbraw/zinc/00/04/59/568000459.db2.gz TTWSELAJVCGHIN-DOTOQJQBSA-N 1 0 357.502 3.658 20 30 FHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000602599896 568000494 /nfs/dbraw/zinc/00/04/94/568000494.db2.gz TTWSELAJVCGHIN-NVXWUHKLSA-N 1 0 357.502 3.658 20 30 FHEDRO C[C@H]1C[NH+](CCOC(c2ccccc2)c2ccccc2)C[C@H](C)N1CC#N ZINC000602858098 568002878 /nfs/dbraw/zinc/00/28/78/568002878.db2.gz ZAGFEISAYNJIII-PMACEKPBSA-N 1 0 363.505 3.711 20 30 FHEDRO CC1=Nc2ccccc2C12CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000602858893 568003093 /nfs/dbraw/zinc/00/30/93/568003093.db2.gz COGHIIWHQNIFHI-HRAATJIYSA-N 1 0 366.509 3.569 20 30 FHEDRO C[C@@H](CCC#N)C[NH2+]Cc1c(Br)cncc1Br ZINC000602671972 568008270 /nfs/dbraw/zinc/00/82/70/568008270.db2.gz AUFZQJXVHYWCLK-VIFPVBQESA-N 1 0 361.081 3.636 20 30 FHEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000602674498 568008715 /nfs/dbraw/zinc/00/87/15/568008715.db2.gz CXZJLDYVGLQSMC-ZIAGYGMSSA-N 1 0 369.303 3.801 20 30 FHEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000602917338 568012476 /nfs/dbraw/zinc/01/24/76/568012476.db2.gz DPQFPBLKSOBFHJ-NHCUHLMSSA-N 1 0 352.478 3.523 20 30 FHEDRO C=CCC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602708758 568018432 /nfs/dbraw/zinc/01/84/32/568018432.db2.gz LXCPITNOKVEOIX-UHFFFAOYSA-N 1 0 361.261 3.634 20 30 FHEDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000602956921 568029240 /nfs/dbraw/zinc/02/92/40/568029240.db2.gz PMBDDEYFSFFEKZ-OAHLLOKOSA-N 1 0 356.495 3.666 20 30 FHEDRO N#Cc1cnn2cc(C[N@@H+](CCc3ccc(F)cc3)C3CCCC3)cnc12 ZINC000568513248 568044737 /nfs/dbraw/zinc/04/47/37/568044737.db2.gz POUTVOODRGUXNF-UHFFFAOYSA-N 1 0 363.440 3.727 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000568565510 568051605 /nfs/dbraw/zinc/05/16/05/568051605.db2.gz NNYOQPJNYNYCRY-UHFFFAOYSA-N 1 0 372.310 3.885 20 30 FHEDRO N#Cc1cccc(OCCC[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000481608759 568065000 /nfs/dbraw/zinc/06/50/00/568065000.db2.gz MDAPAPHCJLVNPA-UHFFFAOYSA-N 1 0 368.452 3.536 20 30 FHEDRO C=CCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1Cl ZINC000066969603 568072628 /nfs/dbraw/zinc/07/26/28/568072628.db2.gz DHPWYUGDBFDQAC-INIZCTEOSA-N 1 0 353.813 3.751 20 30 FHEDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481647059 568080413 /nfs/dbraw/zinc/08/04/13/568080413.db2.gz ZKMZZBAGQDYCDO-KSFYIVLOSA-N 1 0 372.472 3.714 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2cccc(OC)c2o1)C(C)C ZINC000603287895 568083063 /nfs/dbraw/zinc/08/30/63/568083063.db2.gz ROMYSVFISWHOBI-QGZVFWFLSA-N 1 0 356.466 3.870 20 30 FHEDRO COC(=O)COc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481678702 568085258 /nfs/dbraw/zinc/08/52/58/568085258.db2.gz RAIYQTMWSMHYMS-NRFANRHFSA-N 1 0 364.445 3.667 20 30 FHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000068883573 568093065 /nfs/dbraw/zinc/09/30/65/568093065.db2.gz HEAUSEPNAYKBDJ-JOCHJYFZSA-N 1 0 374.488 3.530 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)cc1OC ZINC000603519002 568109160 /nfs/dbraw/zinc/10/91/60/568109160.db2.gz UOYMMLFPUNCEED-QGZVFWFLSA-N 1 0 355.434 3.882 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890315 568177363 /nfs/dbraw/zinc/17/73/63/568177363.db2.gz ZATKGFOMIQVIEG-CDMIOBSGSA-N 1 0 366.509 3.790 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000481913258 568182065 /nfs/dbraw/zinc/18/20/65/568182065.db2.gz DTVKTJIJZGPYLJ-MAUKXSAKSA-N 1 0 351.416 3.800 20 30 FHEDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000603955191 568189354 /nfs/dbraw/zinc/18/93/54/568189354.db2.gz XULVNXYBPWFRPZ-IFMALSPDSA-N 1 0 350.462 3.638 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1c[nH]c2ccc(F)cc12)C(C)C ZINC000604332295 568251283 /nfs/dbraw/zinc/25/12/83/568251283.db2.gz UNIZOWOQBAUTCK-FQEVSTJZSA-N 1 0 357.473 3.664 20 30 FHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000007785550 568255890 /nfs/dbraw/zinc/25/58/90/568255890.db2.gz XSASDYONFJDUFH-UHFFFAOYSA-N 1 0 353.491 3.959 20 30 FHEDRO CN1CCO[C@H]([C@@H]([NH2+]Cc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000563125390 568256719 /nfs/dbraw/zinc/25/67/19/568256719.db2.gz OKPKEGRFSIWDJF-SFTDATJTSA-N 1 0 369.896 3.568 20 30 FHEDRO COCC[N@H+](CCCc1ccc2c(c1)CCO2)Cc1ccc(C#N)cc1 ZINC000482085348 568257844 /nfs/dbraw/zinc/25/78/44/568257844.db2.gz XGFSVTDFVAYUJQ-UHFFFAOYSA-N 1 0 350.462 3.574 20 30 FHEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000482085423 568257937 /nfs/dbraw/zinc/25/79/37/568257937.db2.gz SEOUCNFHNUPFEK-FQEVSTJZSA-N 1 0 358.530 3.702 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)CC1 ZINC000303301779 568265616 /nfs/dbraw/zinc/26/56/16/568265616.db2.gz QDEVESYXXRYDOW-QGZVFWFLSA-N 1 0 358.526 3.908 20 30 FHEDRO C=CCN(CC=C)C(=O)CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000303680832 568272160 /nfs/dbraw/zinc/27/21/60/568272160.db2.gz RTXFQCXJBBGYNN-KRWDZBQOSA-N 1 0 350.915 3.631 20 30 FHEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]2C ZINC000541948046 568272702 /nfs/dbraw/zinc/27/27/02/568272702.db2.gz DUGDLLKOEBUFOF-HZPDHXFCSA-N 1 0 363.461 3.903 20 30 FHEDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1(CC)CC ZINC000482136367 568287463 /nfs/dbraw/zinc/28/74/63/568287463.db2.gz PICHOCDUNAEJLH-HOTGVXAUSA-N 1 0 363.527 3.749 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2CC2CCCCC2)cc1 ZINC000604508640 568305743 /nfs/dbraw/zinc/30/57/43/568305743.db2.gz CMUIOKUEKXVKJA-LEWJYISDSA-N 1 0 356.510 3.927 20 30 FHEDRO CC(C)[C@H](C#N)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000609487165 568346604 /nfs/dbraw/zinc/34/66/04/568346604.db2.gz XRTAPJCUXDASCJ-QHCPKHFHSA-N 1 0 358.489 3.891 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000569507851 568404244 /nfs/dbraw/zinc/40/42/44/568404244.db2.gz IALGKBRQEJOKMT-UHFFFAOYSA-N 1 0 359.420 3.723 20 30 FHEDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000569648983 568411514 /nfs/dbraw/zinc/41/15/14/568411514.db2.gz IFNKIJVDLHKJEH-SFHVURJKSA-N 1 0 352.434 3.619 20 30 FHEDRO N#Cc1ccc(CN(CCCO)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000569813784 568426897 /nfs/dbraw/zinc/42/68/97/568426897.db2.gz MHFDUYWHSUJHGQ-UHFFFAOYSA-N 1 0 359.813 3.504 20 30 FHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cccc(CC#N)c3)cc2)CC1 ZINC000049651566 568553070 /nfs/dbraw/zinc/55/30/70/568553070.db2.gz DBGVLSHDUHVGDD-UHFFFAOYSA-N 1 0 361.489 3.915 20 30 FHEDRO N#CC1(NC(=O)c2ccc3ncccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000365394858 568607972 /nfs/dbraw/zinc/60/79/72/568607972.db2.gz MATBEEDFFKUBIL-UHFFFAOYSA-N 1 0 370.456 3.523 20 30 FHEDRO N#Cc1c(C#N)c(N2CCC[C@H]([NH+]3CCCC3)C2)nc2c1CCCCCC2 ZINC000408330893 568700555 /nfs/dbraw/zinc/70/05/55/568700555.db2.gz UHGVYCKJHWBMKT-KRWDZBQOSA-N 1 0 363.509 3.549 20 30 FHEDRO Cc1noc(C)c1[C@H](C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182060169 568707400 /nfs/dbraw/zinc/70/74/00/568707400.db2.gz RWIPRGRYTPLEJL-OAHLLOKOSA-N 1 0 352.482 3.521 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)s1 ZINC000826384771 608311268 /nfs/dbraw/zinc/31/12/68/608311268.db2.gz JECNJEGUIFODBR-UHFFFAOYSA-N 1 0 372.457 3.757 20 30 FHEDRO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cncc2ccccc21 ZINC000823914147 608631249 /nfs/dbraw/zinc/63/12/49/608631249.db2.gz BNOXCLLTSCFIKK-UHFFFAOYSA-N 1 0 356.433 3.603 20 30 FHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4C[C@@]4([NH3+])C3)cnc2Cl)cc1 ZINC001164420502 718897532 /nfs/dbraw/zinc/89/75/32/718897532.db2.gz MIOZNHRZEZBTJV-KBXCAEBGSA-N 1 0 374.822 3.746 20 30 FHEDRO N#Cc1cnc(Cl)cc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623551 719059371 /nfs/dbraw/zinc/05/93/71/719059371.db2.gz JRZXPYUVZWGJOR-VQIMIIECSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1Cl ZINC001164624362 719059632 /nfs/dbraw/zinc/05/96/32/719059632.db2.gz LJYHVLBHCAMJBC-QFBILLFUSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cc(Cl)cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626829 719072896 /nfs/dbraw/zinc/07/28/96/719072896.db2.gz PLQOKCDPUUALDY-VQIMIIECSA-N 1 0 352.869 3.707 20 30 FHEDRO C=CC[NH+]1CCN(c2nc(-c3ccccc3F)nc3ccc(F)cc32)CC1 ZINC001165031322 721865586 /nfs/dbraw/zinc/86/55/86/721865586.db2.gz CZGSILDEHUPHKZ-UHFFFAOYSA-N 1 0 366.415 3.883 20 30 FHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046084 721966815 /nfs/dbraw/zinc/96/68/15/721966815.db2.gz ASTHSTAQFNXNMB-INIZCTEOSA-N 1 0 369.900 4.000 20 30 FHEDRO Cc1ccc(C#N)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993947 722195623 /nfs/dbraw/zinc/19/56/23/722195623.db2.gz JSFHLQSQEAPGOC-OAQYLSRUSA-N 1 0 350.441 3.646 20 30 FHEDRO N#Cc1cc(Cl)cnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994879 722206005 /nfs/dbraw/zinc/20/60/05/722206005.db2.gz JAJUUGWGXBDHIO-HXUWFJFHSA-N 1 0 370.859 3.991 20 30 FHEDRO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC001167642266 936324696 /nfs/dbraw/zinc/32/46/96/936324696.db2.gz VVHWGYGCZZTZFL-MRXNPFEDSA-N 1 0 367.880 3.854 20 30 FHEDRO C=CCOCc1cccc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)c1 ZINC001167643551 936334892 /nfs/dbraw/zinc/33/48/92/936334892.db2.gz IJQONRYKVKRBPH-UHFFFAOYSA-N 1 0 360.498 3.783 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)nc1 ZINC000582973269 936336868 /nfs/dbraw/zinc/33/68/68/936336868.db2.gz UARBSXZOFTZVJR-OAHLLOKOSA-N 1 0 356.267 3.780 20 30 FHEDRO C=CCOc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000161486190 936358006 /nfs/dbraw/zinc/35/80/06/936358006.db2.gz LXSVHRHTIKGAHT-CQSZACIVSA-N 1 0 359.857 3.807 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)/C=C\c2ccccc2C#N)C1 ZINC000255563897 936380981 /nfs/dbraw/zinc/38/09/81/936380981.db2.gz VHVYGZWXNIMREQ-JQDPHBCOSA-N 1 0 351.494 3.684 20 30 FHEDRO COc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(O)cc1C ZINC000160153440 927051036 /nfs/dbraw/zinc/05/10/36/927051036.db2.gz LJQMPTTWRGPVGB-UHFFFAOYSA-N 1 0 352.434 3.624 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC001167048661 927244355 /nfs/dbraw/zinc/24/43/55/927244355.db2.gz ISGAINPQQHQQBK-UHFFFAOYSA-N 1 0 365.452 3.981 20 30 FHEDRO COC(=O)c1ccccc1CC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000430175192 927535803 /nfs/dbraw/zinc/53/58/03/927535803.db2.gz BLAFFHODORIJGL-UHFFFAOYSA-N 1 0 354.475 3.861 20 30 FHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001167055435 927550654 /nfs/dbraw/zinc/55/06/54/927550654.db2.gz JBJMRQHHIUQZGL-SECBINFHSA-N 1 0 372.206 3.521 20 30 FHEDRO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(Cl)cc3C#N)CC2)C[C@H](C)O1 ZINC000186927953 927575135 /nfs/dbraw/zinc/57/51/35/927575135.db2.gz GZLLWKXKPZVDJE-IYBDPMFKSA-N 1 0 361.917 3.533 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000583952012 927586684 /nfs/dbraw/zinc/58/66/84/927586684.db2.gz BWVAPXIXMDVKDS-UHFFFAOYSA-N 1 0 371.859 3.772 20 30 FHEDRO C=C(C)[C@H](CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)OCC ZINC000535944343 937181403 /nfs/dbraw/zinc/18/14/03/937181403.db2.gz VHTJSUAKQVDERR-FQEVSTJZSA-N 1 0 360.498 3.861 20 30 FHEDRO C[C@@H]1C[C@H](CCNC(=O)c2sccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000510069377 927633693 /nfs/dbraw/zinc/63/36/93/927633693.db2.gz FVHUESVADPSDKI-WBVHZDCISA-N 1 0 353.491 3.650 20 30 FHEDRO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430185259 927651746 /nfs/dbraw/zinc/65/17/46/927651746.db2.gz GWBYJPNGKXFJLJ-QGZVFWFLSA-N 1 0 361.367 3.934 20 30 FHEDRO OC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000543839210 927875084 /nfs/dbraw/zinc/87/50/84/927875084.db2.gz KJHGMVRVQAXFAH-QGZVFWFLSA-N 1 0 364.670 3.777 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc2ccccc21 ZINC000023676657 928037317 /nfs/dbraw/zinc/03/73/17/928037317.db2.gz RIKRLKCGGNCEKQ-PXNSSMCTSA-N 1 0 360.457 3.996 20 30 FHEDRO C[C@H](NC(=O)Nc1cccc(C#Cc2ccccc2)c1)C1=CC[N@H+](C)CC1 ZINC000511235222 937215796 /nfs/dbraw/zinc/21/57/96/937215796.db2.gz ZPSLOGYCZGWQQI-SFHVURJKSA-N 1 0 359.473 3.858 20 30 FHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc4cccnc4o3)CC2)c1 ZINC000583184142 937218208 /nfs/dbraw/zinc/21/82/08/937218208.db2.gz YEXCEFQKEMFPNK-UHFFFAOYSA-N 1 0 360.417 3.550 20 30 FHEDRO CC(C)[C@H](C#N)N1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000610213171 928120426 /nfs/dbraw/zinc/12/04/26/928120426.db2.gz CIAMPHKZRWETKP-KRWDZBQOSA-N 1 0 356.297 3.538 20 30 FHEDRO N#Cc1ccc(OCC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000064807162 928146757 /nfs/dbraw/zinc/14/67/57/928146757.db2.gz UIWXYLRPVKMVPV-NRFANRHFSA-N 1 0 354.425 3.757 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CCCCC2 ZINC000610216171 928173046 /nfs/dbraw/zinc/17/30/46/928173046.db2.gz VFJCVGZKGIAYJX-GOSISDBHSA-N 1 0 369.509 3.987 20 30 FHEDRO N#Cc1ccc(Nc2cccc(C(=O)NCC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000579821647 928210209 /nfs/dbraw/zinc/21/02/09/928210209.db2.gz SGMRGECFCMZBIM-UHFFFAOYSA-N 1 0 374.488 3.906 20 30 FHEDRO N#CCCC[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1 ZINC000579834098 928330503 /nfs/dbraw/zinc/33/05/03/928330503.db2.gz PGOLLBGHZWRLMU-SFTDATJTSA-N 1 0 362.477 3.689 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000178830031 937251523 /nfs/dbraw/zinc/25/15/23/937251523.db2.gz MFYGIOKMXIAPMM-QGZVFWFLSA-N 1 0 373.909 3.723 20 30 FHEDRO N#Cc1ccc(CCC[N@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)cc1 ZINC001208863124 928805798 /nfs/dbraw/zinc/80/57/98/928805798.db2.gz XKZHIKLKRZYUAF-YADHBBJMSA-N 1 0 361.489 3.614 20 30 FHEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134781295 929238960 /nfs/dbraw/zinc/23/89/60/929238960.db2.gz DJOPTFIXKAMCNN-UXHICEINSA-N 1 0 354.425 3.664 20 30 FHEDRO N#Cc1cc(Cl)cc(C(=O)N2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001279106277 929309493 /nfs/dbraw/zinc/30/94/93/929309493.db2.gz IQFNLLAQJHBVHG-CALCHBBNSA-N 1 0 371.912 3.938 20 30 FHEDRO C=CCC[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000180035490 929326978 /nfs/dbraw/zinc/32/69/78/929326978.db2.gz SVSBSOLXBONROZ-PMACEKPBSA-N 1 0 350.462 3.924 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2ccc3c(c2)CC(=O)N3)c(O)c1 ZINC000255031399 929350408 /nfs/dbraw/zinc/35/04/08/929350408.db2.gz XWBQWFLEPOVZNW-BXSODOALSA-N 1 0 351.450 3.913 20 30 FHEDRO N#Cc1c2c(cnc1N(Cc1ccccn1)C1CCCCC1)C[NH2+]CCC2 ZINC001167100482 929376099 /nfs/dbraw/zinc/37/60/99/929376099.db2.gz XFKCZRBJZKRQJT-UHFFFAOYSA-N 1 0 361.493 3.723 20 30 FHEDRO C=C[C@@H](CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000180311195 929456462 /nfs/dbraw/zinc/45/64/62/929456462.db2.gz PPTLIHSRALLZMP-NRFANRHFSA-N 1 0 370.537 3.697 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000023677102 929692184 /nfs/dbraw/zinc/69/21/84/929692184.db2.gz PKJRIONZGVWXNS-KKSFZXQISA-N 1 0 350.462 3.528 20 30 FHEDRO COCC[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)Cc1ccc(C#N)cc1 ZINC001167314857 929725406 /nfs/dbraw/zinc/72/54/06/929725406.db2.gz PZDUOROAUODEGO-UHFFFAOYSA-N 1 0 374.387 3.571 20 30 FHEDRO COCCn1cc2c(n1)[C@@H]([NH2+][C@H]1CCCCc3cc(C#N)ccc31)CCC2 ZINC000578938169 929741975 /nfs/dbraw/zinc/74/19/75/929741975.db2.gz OGIPODZNIAIBRB-SFTDATJTSA-N 1 0 364.493 3.836 20 30 FHEDRO Cc1cc([C@@H]([NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)C2CC2)ccc1F ZINC000578964172 929755362 /nfs/dbraw/zinc/75/53/62/929755362.db2.gz VEZZSUDSHZOFAQ-MSOLQXFVSA-N 1 0 369.465 3.914 20 30 FHEDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000583349747 937367250 /nfs/dbraw/zinc/36/72/50/937367250.db2.gz UCTLHBQEKSBBNB-HKUYNNGSSA-N 1 0 350.462 3.730 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]CCOc3ccccc3Cl)CC2)cc1 ZINC000560544375 929885086 /nfs/dbraw/zinc/88/50/86/929885086.db2.gz PNRLIYVWCJCFBF-UHFFFAOYSA-N 1 0 355.869 3.849 20 30 FHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(F)cc(C#N)cc1F ZINC000187317010 929907202 /nfs/dbraw/zinc/90/72/02/929907202.db2.gz FXVUVUUGHBNHIN-IBGZPJMESA-N 1 0 371.431 3.723 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123225131 929938668 /nfs/dbraw/zinc/93/86/68/929938668.db2.gz FCGNQGOAHLNXTJ-QGZVFWFLSA-N 1 0 353.510 3.664 20 30 FHEDRO CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(C#N)cc1 ZINC000278215719 937374998 /nfs/dbraw/zinc/37/49/98/937374998.db2.gz IHDOWFXVILIWLU-RTWAWAEBSA-N 1 0 363.461 3.917 20 30 FHEDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(C#N)cc1 ZINC000278215860 937375496 /nfs/dbraw/zinc/37/54/96/937375496.db2.gz IINBAXHNCHCFCA-NRFANRHFSA-N 1 0 367.468 3.899 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C(C)C)C[C@@H]1C ZINC000579197659 930001566 /nfs/dbraw/zinc/00/15/66/930001566.db2.gz MEXXHHLHKKGACU-LPHOPBHVSA-N 1 0 366.513 3.707 20 30 FHEDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000610341076 930036719 /nfs/dbraw/zinc/03/67/19/930036719.db2.gz WIVGTPDIODQWPO-HOTGVXAUSA-N 1 0 369.440 3.820 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000610343416 930044532 /nfs/dbraw/zinc/04/45/32/930044532.db2.gz GHJMGPATYVMKKQ-OLZOCXBDSA-N 1 0 372.266 3.999 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F)c1cccc(C#N)c1 ZINC000610346075 930047294 /nfs/dbraw/zinc/04/72/94/930047294.db2.gz JWGCILBROKYQND-OLZOCXBDSA-N 1 0 359.376 3.837 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1OC(F)F ZINC000610346077 930047452 /nfs/dbraw/zinc/04/74/52/930047452.db2.gz JWGCILBROKYQND-STQMWFEESA-N 1 0 359.376 3.837 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccccc1OC(F)F ZINC000610346074 930047552 /nfs/dbraw/zinc/04/75/52/930047552.db2.gz JWGCILBROKYQND-CHWSQXEVSA-N 1 0 359.376 3.837 20 30 FHEDRO C[C@@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000610347787 930057653 /nfs/dbraw/zinc/05/76/53/930057653.db2.gz XJVXYBHNNUVAGY-DYESRHJHSA-N 1 0 362.477 3.756 20 30 FHEDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(C#N)c1 ZINC000610351038 930076305 /nfs/dbraw/zinc/07/63/05/930076305.db2.gz IUFKDLFZEIXSPG-DYESRHJHSA-N 1 0 368.525 3.963 20 30 FHEDRO CCC[C@H]([NH2+]Cc1cc(C#N)cs1)C(=O)N1CCc2sccc2C1 ZINC000177694876 930162789 /nfs/dbraw/zinc/16/27/89/930162789.db2.gz CKYXGRSSVXDSDX-INIZCTEOSA-N 1 0 359.520 3.524 20 30 FHEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)c1 ZINC000118867304 930178333 /nfs/dbraw/zinc/17/83/33/930178333.db2.gz WHJWPUXKUYYNDW-NRFANRHFSA-N 1 0 362.477 3.790 20 30 FHEDRO CON=Cc1ccc(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc1 ZINC000254929846 930289677 /nfs/dbraw/zinc/28/96/77/930289677.db2.gz LWDSYTCWIYFNCJ-UHFFFAOYSA-N 1 0 351.450 3.823 20 30 FHEDRO COCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C)cc1C ZINC000610390267 930299369 /nfs/dbraw/zinc/29/93/69/930299369.db2.gz PDMDEJGIMDOFCK-UHFFFAOYSA-N 1 0 365.477 3.652 20 30 FHEDRO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC001104292279 930308567 /nfs/dbraw/zinc/30/85/67/930308567.db2.gz SFCRLUDZHJGESU-SJLPKXTDSA-N 1 0 367.493 3.594 20 30 FHEDRO CCc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000610400188 930368241 /nfs/dbraw/zinc/36/82/41/930368241.db2.gz QKEGCJPOWRVYCR-IIBYNOLFSA-N 1 0 364.493 3.784 20 30 FHEDRO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000047778072 930390952 /nfs/dbraw/zinc/39/09/52/930390952.db2.gz JBWLOPZKWIGTKV-QFBILLFUSA-N 1 0 366.465 3.739 20 30 FHEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000583411121 937419043 /nfs/dbraw/zinc/41/90/43/937419043.db2.gz VZZCTEAJVSGQOG-SJLPKXTDSA-N 1 0 372.431 3.532 20 30 FHEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N(C)Cc1ccccc1 ZINC000580355595 930565897 /nfs/dbraw/zinc/56/58/97/930565897.db2.gz FDZLANSIIGQIKI-LJQANCHMSA-N 1 0 362.521 3.637 20 30 FHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2)C1 ZINC000583421963 937430721 /nfs/dbraw/zinc/43/07/21/937430721.db2.gz VTYIIXWWDXRHLE-VGOFRKELSA-N 1 0 367.493 3.820 20 30 FHEDRO C[C@H](NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000074918031 930592042 /nfs/dbraw/zinc/59/20/42/930592042.db2.gz DNWCZWQARQHWIM-SFHVURJKSA-N 1 0 368.525 3.917 20 30 FHEDRO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1cccc(C#N)c1 ZINC000074918118 930594869 /nfs/dbraw/zinc/59/48/69/930594869.db2.gz YVRQTJQTCJASRU-UYAOXDASSA-N 1 0 368.525 3.773 20 30 FHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)CC1CCCCC1)c1cccc(C#N)c1 ZINC000074918106 930599330 /nfs/dbraw/zinc/59/93/30/930599330.db2.gz HZXQBATTWHPHPX-QGZVFWFLSA-N 1 0 356.514 3.773 20 30 FHEDRO Cc1ccc(Cc2ccccn2)cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328726374 930650369 /nfs/dbraw/zinc/65/03/69/930650369.db2.gz ZOFKFRJJRWCQQU-TZIWHRDSSA-N 1 0 364.493 3.934 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3cc(F)ccc32)c(OC)c1 ZINC000580460940 930701659 /nfs/dbraw/zinc/70/16/59/930701659.db2.gz VABIMKNBNHFTOY-AZUAARDMSA-N 1 0 371.452 3.580 20 30 FHEDRO C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000579691041 930781011 /nfs/dbraw/zinc/78/10/11/930781011.db2.gz RYPJHWKDGGKJIR-IIBYNOLFSA-N 1 0 362.477 3.728 20 30 FHEDRO C[NH2+]Cc1cccc(Nc2ccc(I)cc2C#N)c1 ZINC001211139655 930789021 /nfs/dbraw/zinc/78/90/21/930789021.db2.gz QLYQTHDMUMEFNS-UHFFFAOYSA-N 1 0 363.202 3.626 20 30 FHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC([NH+]2CCCCC2)CC1 ZINC000561135581 930807884 /nfs/dbraw/zinc/80/78/84/930807884.db2.gz ROORMAWTBGRRRX-UHFFFAOYSA-N 1 0 374.410 3.978 20 30 FHEDRO CC1CC[NH+](C2CCC(Nc3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000580543001 930830861 /nfs/dbraw/zinc/83/08/61/930830861.db2.gz IRQXTTFGRQHQOB-UHFFFAOYSA-N 1 0 357.458 3.504 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1ccc2ncccc2c1)C(C)C ZINC000471602126 930930989 /nfs/dbraw/zinc/93/09/89/930930989.db2.gz MSTJJMFAYRTTMT-OAQYLSRUSA-N 1 0 366.509 3.733 20 30 FHEDRO C=CCn1c(C2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580640200 930959638 /nfs/dbraw/zinc/95/96/38/930959638.db2.gz WBIUWZGJXUXTQV-HXUWFJFHSA-N 1 0 365.525 3.832 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000580723152 931056290 /nfs/dbraw/zinc/05/62/90/931056290.db2.gz QSZXROKCHQXRED-SJLPKXTDSA-N 1 0 355.507 3.536 20 30 FHEDRO C=CCCCC[NH2+][C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000471617602 931121636 /nfs/dbraw/zinc/12/16/36/931121636.db2.gz IWJOQZWJLIFRPE-IBGZPJMESA-N 1 0 363.933 3.524 20 30 FHEDRO CCc1[nH+]c2ccccc2c(N2CCN(c3cccc(C#N)n3)CC2)c1C ZINC000580792858 931152147 /nfs/dbraw/zinc/15/21/47/931152147.db2.gz MYWMUFOUGXERGH-UHFFFAOYSA-N 1 0 357.461 3.699 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000119327583 931217623 /nfs/dbraw/zinc/21/76/23/931217623.db2.gz PXCZEYGWLOEBRI-GFCCVEGCSA-N 1 0 358.239 3.610 20 30 FHEDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCSCc1ccccc1C#N ZINC000177823124 931232561 /nfs/dbraw/zinc/23/25/61/931232561.db2.gz BYTHFSRLZWYJIG-QGZVFWFLSA-N 1 0 367.518 3.823 20 30 FHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccco1 ZINC000581032645 931478359 /nfs/dbraw/zinc/47/83/59/931478359.db2.gz ZLOWJJZGSBDCME-KSSFIOAISA-N 1 0 369.440 3.568 20 30 FHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000581100204 931563196 /nfs/dbraw/zinc/56/31/96/931563196.db2.gz MENCFGGVGAHVOF-UHFFFAOYSA-N 1 0 365.525 3.894 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 ZINC000175979122 931563899 /nfs/dbraw/zinc/56/38/99/931563899.db2.gz LIFPAEHNGJYYQN-MAUKXSAKSA-N 1 0 355.869 3.999 20 30 FHEDRO COc1cc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000581161321 931625579 /nfs/dbraw/zinc/62/55/79/931625579.db2.gz UMRLJUGNTHFIKZ-UGSOOPFHSA-N 1 0 352.434 3.922 20 30 FHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000581223331 931703412 /nfs/dbraw/zinc/70/34/12/931703412.db2.gz IRUSWFINOCEXSM-INIZCTEOSA-N 1 0 369.465 3.580 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000581339816 931855977 /nfs/dbraw/zinc/85/59/77/931855977.db2.gz PNZXVJXELYQKQI-RTWAWAEBSA-N 1 0 374.488 3.853 20 30 FHEDRO CSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000126497660 931902553 /nfs/dbraw/zinc/90/25/53/931902553.db2.gz ZQAZVTBZCDDGLI-CYBMUJFWSA-N 1 0 365.568 3.901 20 30 FHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050960227 931948946 /nfs/dbraw/zinc/94/89/46/931948946.db2.gz DAXCEGNVLUVFCI-UHFFFAOYSA-N 1 0 357.404 3.872 20 30 FHEDRO C[C@@H]1C[C@@H](N(C)C(=O)C2(C#N)CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000933261072 931995673 /nfs/dbraw/zinc/99/56/73/931995673.db2.gz YJKAVVACSOHQGC-MJGOQNOKSA-N 1 0 371.550 3.535 20 30 FHEDRO N#Cc1ccnc(N2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000610504289 932001037 /nfs/dbraw/zinc/00/10/37/932001037.db2.gz HQSFBLAMOGPWEZ-UHFFFAOYSA-N 1 0 374.410 3.727 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cccc2cnccc21)C(C)C ZINC000625558828 932234049 /nfs/dbraw/zinc/23/40/49/932234049.db2.gz YODYPGSCDNVZPV-OAQYLSRUSA-N 1 0 351.494 3.592 20 30 FHEDRO Cn1cc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000157256043 932270159 /nfs/dbraw/zinc/27/01/59/932270159.db2.gz BBIRETBMCTZGTE-YADHBBJMSA-N 1 0 372.472 3.969 20 30 FHEDRO CC[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000178066262 932270630 /nfs/dbraw/zinc/27/06/30/932270630.db2.gz KUCXNZYOLFPRQY-LPHOPBHVSA-N 1 0 363.461 3.862 20 30 FHEDRO CCOc1cc2c(cc1NC(=O)N1CCC[C@H]([NH+]3CCCC3)C1)O[C@H](C)C2 ZINC000328812342 932562804 /nfs/dbraw/zinc/56/28/04/932562804.db2.gz OUSGNIBQKZMKPM-WBVHZDCISA-N 1 0 373.497 3.514 20 30 FHEDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c(Br)c1 ZINC000581738394 932582028 /nfs/dbraw/zinc/58/20/28/932582028.db2.gz KMSYRSGBTZXDOW-CYBMUJFWSA-N 1 0 372.266 3.919 20 30 FHEDRO C[C@H](NCc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(C#N)cc1 ZINC000581836777 932720527 /nfs/dbraw/zinc/72/05/27/932720527.db2.gz NGTGWNOWTITCOK-JTQLQIEISA-N 1 0 358.323 3.876 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000134647362 932766297 /nfs/dbraw/zinc/76/62/97/932766297.db2.gz NXJGZIVEAQXJAN-AEFFLSMTSA-N 1 0 373.497 3.705 20 30 FHEDRO C#CCC1(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CCCCC1 ZINC000276609298 932805090 /nfs/dbraw/zinc/80/50/90/932805090.db2.gz GIJNFOPFNPKZQQ-GOSISDBHSA-N 1 0 353.510 3.697 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000572870638 932863367 /nfs/dbraw/zinc/86/33/67/932863367.db2.gz XXICRQHFQBOCTC-LJQANCHMSA-N 1 0 355.388 3.832 20 30 FHEDRO Cn1c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)cc2nc1C(F)F ZINC000328840132 932871493 /nfs/dbraw/zinc/87/14/93/932871493.db2.gz UKNBZOWWWWZSQI-AWEZNQCLSA-N 1 0 362.424 3.832 20 30 FHEDRO Cc1cccc(OC[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2C)C(C)C)c1 ZINC001167488156 932894716 /nfs/dbraw/zinc/89/47/16/932894716.db2.gz WSCDZOLPBMGXBB-NRFANRHFSA-N 1 0 352.478 3.825 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000121537841 933006214 /nfs/dbraw/zinc/00/62/14/933006214.db2.gz IYALYVIUPPJQDO-UHFFFAOYSA-N 1 0 359.473 3.670 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000510501718 933112203 /nfs/dbraw/zinc/11/22/03/933112203.db2.gz KXWFWELLQCCPHF-UHFFFAOYSA-N 1 0 366.465 3.601 20 30 FHEDRO C[C@@H]1C[C@H](CCNC(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000510675423 933396807 /nfs/dbraw/zinc/39/68/07/933396807.db2.gz ONGGIQSCKJZMCF-XLIONFOSSA-N 1 0 362.477 3.980 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610584826 933428384 /nfs/dbraw/zinc/42/83/84/933428384.db2.gz GPPGNWWXQWPIEM-QGZVFWFLSA-N 1 0 366.440 3.731 20 30 FHEDRO N#CC1(NC(=O)CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000328974592 933521409 /nfs/dbraw/zinc/52/14/09/933521409.db2.gz VYUNGRFVZCLCNM-IBGZPJMESA-N 1 0 360.546 3.757 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000891846617 933569269 /nfs/dbraw/zinc/56/92/69/933569269.db2.gz OIPGZXHFZBZKBS-UHFFFAOYSA-N 1 0 368.506 3.557 20 30 FHEDRO CCN(C(=O)/C=C\c1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588457171 933623695 /nfs/dbraw/zinc/62/36/95/933623695.db2.gz GVVILYYMZVXFRC-MLUDITRGSA-N 1 0 359.473 3.694 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000510742103 933628860 /nfs/dbraw/zinc/62/88/60/933628860.db2.gz WIOXIKYQYWGHGM-ZDUSSCGKSA-N 1 0 368.399 3.650 20 30 FHEDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000610676651 933737600 /nfs/dbraw/zinc/73/76/00/933737600.db2.gz QAJITQCZMAZMOX-LJQANCHMSA-N 1 0 362.477 3.617 20 30 FHEDRO C=CCOc1ccc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1Cl ZINC000092078730 933839740 /nfs/dbraw/zinc/83/97/40/933839740.db2.gz QWMNVGXQSXYVEF-MRXNPFEDSA-N 1 0 364.917 3.590 20 30 FHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCC#Cc1cccc(F)c1 ZINC000510838567 933845927 /nfs/dbraw/zinc/84/59/27/933845927.db2.gz PSJVSULBDVISKZ-UHFFFAOYSA-N 1 0 367.468 3.518 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000610707811 933862624 /nfs/dbraw/zinc/86/26/24/933862624.db2.gz XLNNOLNKTQEXOE-WWMYMODYSA-N 1 0 362.477 3.581 20 30 FHEDRO CCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)c(C#N)c1CC ZINC000610715020 933899864 /nfs/dbraw/zinc/89/98/64/933899864.db2.gz NNOSHHBUVSLJEU-UHFFFAOYSA-N 1 0 355.530 3.565 20 30 FHEDRO CC[NH+](CC)[C@@H](C(=O)NCC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000431164204 933978527 /nfs/dbraw/zinc/97/85/27/933978527.db2.gz UCDISHSVTPEGLE-MRXNPFEDSA-N 1 0 367.415 3.898 20 30 FHEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092400369 934035775 /nfs/dbraw/zinc/03/57/75/934035775.db2.gz GVPAERALIFKURI-QUCCMNQESA-N 1 0 371.525 3.886 20 30 FHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092400367 934035842 /nfs/dbraw/zinc/03/58/42/934035842.db2.gz GVPAERALIFKURI-UYAOXDASSA-N 1 0 371.525 3.886 20 30 FHEDRO C=CCOc1ccccc1C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000092645244 934120104 /nfs/dbraw/zinc/12/01/04/934120104.db2.gz SWUDGQCKHLMAIQ-UHFFFAOYSA-N 1 0 365.521 3.785 20 30 FHEDRO CCCN(C(=O)NCC1(CC#N)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000431194097 934147834 /nfs/dbraw/zinc/14/78/34/934147834.db2.gz QXVAGYRKQOBSTE-HXUWFJFHSA-N 1 0 368.525 3.766 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000548487349 934150009 /nfs/dbraw/zinc/15/00/09/934150009.db2.gz XIIFMOVVRQUPGN-SQGPQFPESA-N 1 0 357.498 3.746 20 30 FHEDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000092754733 934165975 /nfs/dbraw/zinc/16/59/75/934165975.db2.gz QPFSMTZBVXMPJF-GOSISDBHSA-N 1 0 371.525 3.742 20 30 FHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000510972205 934231626 /nfs/dbraw/zinc/23/16/26/934231626.db2.gz XTLIKLVROKJJEG-ZACQAIPSSA-N 1 0 356.514 3.976 20 30 FHEDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000158056494 934308133 /nfs/dbraw/zinc/30/81/33/934308133.db2.gz OGMYKJCYKKCWKF-UHFFFAOYSA-N 1 0 358.486 3.684 20 30 FHEDRO CC[NH+](CC)[C@H](C/N=C/c1ccc(O)c(O)c1O)c1ccccc1Cl ZINC000022769756 934357616 /nfs/dbraw/zinc/35/76/16/934357616.db2.gz BNNVAVPCYKRBPG-BTZNOAQDSA-N 1 0 362.857 3.959 20 30 FHEDRO Cc1cc(C)cc(C2=CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000535793443 934386007 /nfs/dbraw/zinc/38/60/07/934386007.db2.gz ZRAYNPCBFSFODL-PGRDOPGGSA-N 1 0 353.510 3.836 20 30 FHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000458222666 934392942 /nfs/dbraw/zinc/39/29/42/934392942.db2.gz LWRHZGNSMMFRAP-UHFFFAOYSA-N 1 0 355.507 3.753 20 30 FHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000458225159 934397726 /nfs/dbraw/zinc/39/77/26/934397726.db2.gz PEUBAGXRFJRLNT-LJQANCHMSA-N 1 0 355.507 3.726 20 30 FHEDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c(C)o1 ZINC000187674115 934425995 /nfs/dbraw/zinc/42/59/95/934425995.db2.gz XKVZPRUMBWXPIS-HNNXBMFYSA-N 1 0 351.450 3.724 20 30 FHEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000610813370 934481005 /nfs/dbraw/zinc/48/10/05/934481005.db2.gz DUGFTWUVZAFGME-QFIPXVFZSA-N 1 0 367.468 3.696 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1F ZINC000458275411 934576965 /nfs/dbraw/zinc/57/69/65/934576965.db2.gz NOUNHCNRKFOFEC-KRWDZBQOSA-N 1 0 369.440 3.792 20 30 FHEDRO C[C@H](c1ccccc1)[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CC1 ZINC000610968452 934663615 /nfs/dbraw/zinc/66/36/15/934663615.db2.gz WAINMUPNMAPJIN-DYESRHJHSA-N 1 0 350.462 3.718 20 30 FHEDRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000135448784 934683860 /nfs/dbraw/zinc/68/38/60/934683860.db2.gz QIXSGSDHTLBQDU-ZDUSSCGKSA-N 1 0 363.552 3.655 20 30 FHEDRO C=C(C)[C@H](CC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1)OCC ZINC000535879228 934687176 /nfs/dbraw/zinc/68/71/76/934687176.db2.gz CVGKGYTUWCCURC-FPOVZHCZSA-N 1 0 374.525 3.710 20 30 FHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](Cc2ccnc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000610993130 934737961 /nfs/dbraw/zinc/73/79/61/934737961.db2.gz FFFOKMCKUZLMDZ-KHDMTIDOSA-N 1 0 368.525 3.637 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1C#N ZINC000610994283 934738962 /nfs/dbraw/zinc/73/89/62/934738962.db2.gz BUEXNRYOGYJSSL-NRFANRHFSA-N 1 0 350.462 3.791 20 30 FHEDRO C=CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000181551440 934740737 /nfs/dbraw/zinc/74/07/37/934740737.db2.gz RCTLLIQUATXPHF-SJLPKXTDSA-N 1 0 372.509 3.643 20 30 FHEDRO N#Cc1cc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)ccn1 ZINC000610995157 934741570 /nfs/dbraw/zinc/74/15/70/934741570.db2.gz PSYIBIOIFLSASM-LBPRGKRZSA-N 1 0 352.385 3.808 20 30 FHEDRO C[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000176288085 934742587 /nfs/dbraw/zinc/74/25/87/934742587.db2.gz YMXWGXSLQXTOGX-YWZLYKJASA-N 1 0 372.465 3.554 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236771498 934774267 /nfs/dbraw/zinc/77/42/67/934774267.db2.gz WWRALQWGXKSWOY-HNNXBMFYSA-N 1 0 358.404 3.716 20 30 FHEDRO C[C@@H](Nc1cc(C#N)c2ccccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380467978 934803942 /nfs/dbraw/zinc/80/39/42/934803942.db2.gz QLFSHINAMRQCPC-MJGOQNOKSA-N 1 0 356.473 3.851 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000375650076 934848886 /nfs/dbraw/zinc/84/88/86/934848886.db2.gz BSCPVHHVFYRPHV-UHFFFAOYSA-N 1 0 371.843 3.745 20 30 FHEDRO C=CCC[C@@H](CC)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 ZINC000132363982 934853322 /nfs/dbraw/zinc/85/33/22/934853322.db2.gz JSSXNJSTCSJCIL-MRXNPFEDSA-N 1 0 363.477 3.643 20 30 FHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431286644 934882763 /nfs/dbraw/zinc/88/27/63/934882763.db2.gz ZFMMVEVMLNVTHL-GGPKGHCWSA-N 1 0 356.514 3.841 20 30 FHEDRO C=CCc1cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)cc(OC)c1O ZINC000472050973 934901078 /nfs/dbraw/zinc/90/10/78/934901078.db2.gz CVAYOZUKALDGPX-IERDGZPVSA-N 1 0 354.494 3.910 20 30 FHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cncs1 ZINC000934196769 934980093 /nfs/dbraw/zinc/98/00/93/934980093.db2.gz DLNUSLGNGBCVJV-RYUDHWBXSA-N 1 0 374.535 3.880 20 30 FHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cncs1 ZINC000934196767 934980180 /nfs/dbraw/zinc/98/01/80/934980180.db2.gz DLNUSLGNGBCVJV-NEPJUHHUSA-N 1 0 374.535 3.880 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548616118 935014139 /nfs/dbraw/zinc/01/41/39/935014139.db2.gz RJIKZQHJTYOFHE-FOIQADDNSA-N 1 0 367.880 3.852 20 30 FHEDRO Cc1cc(C)c(C#N)c(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000071952651 935063596 /nfs/dbraw/zinc/06/35/96/935063596.db2.gz AEDQZESJKILIKB-HDICACEKSA-N 1 0 364.493 3.791 20 30 FHEDRO C=CCCn1cc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nn1 ZINC000657310722 935092138 /nfs/dbraw/zinc/09/21/38/935092138.db2.gz RRWRBEQMKAQFPU-SFHVURJKSA-N 1 0 353.514 3.518 20 30 FHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC001167516536 935103459 /nfs/dbraw/zinc/10/34/59/935103459.db2.gz GCRTVUUJSZWQIK-LEWJYISDSA-N 1 0 352.478 3.560 20 30 FHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000582044832 935164352 /nfs/dbraw/zinc/16/43/52/935164352.db2.gz WUNBHROAZOCAIS-UHFFFAOYSA-N 1 0 373.570 3.817 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157981543 935252011 /nfs/dbraw/zinc/25/20/11/935252011.db2.gz GAOJCZXJGCNIQJ-AWEZNQCLSA-N 1 0 356.470 3.556 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000119817506 935258973 /nfs/dbraw/zinc/25/89/73/935258973.db2.gz QMMKXRCJPSFHCB-MRXNPFEDSA-N 1 0 358.442 3.717 20 30 FHEDRO CC(C)[C@@H](CNC(=O)c1ccc(F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000551516912 935301638 /nfs/dbraw/zinc/30/16/38/935301638.db2.gz VUQJWYCNOZESSE-OAQYLSRUSA-N 1 0 365.452 3.510 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000051449318 935304546 /nfs/dbraw/zinc/30/45/46/935304546.db2.gz XFBYNZSJVDEUPU-UWJYYQICSA-N 1 0 370.880 3.983 20 30 FHEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551546924 935305506 /nfs/dbraw/zinc/30/55/06/935305506.db2.gz AYVBTPHUXQUYHU-ZDUSSCGKSA-N 1 0 369.266 3.689 20 30 FHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000551601683 935319551 /nfs/dbraw/zinc/31/95/51/935319551.db2.gz BRKQZHSSZZYDCK-NRFANRHFSA-N 1 0 373.504 3.596 20 30 FHEDRO COc1ccccc1N1CC[C@@H](C)[N@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000375676170 935367432 /nfs/dbraw/zinc/36/74/32/935367432.db2.gz NWUMHUVGTQJPHW-LJQANCHMSA-N 1 0 371.525 3.696 20 30 FHEDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000551943104 935382053 /nfs/dbraw/zinc/38/20/53/935382053.db2.gz PWTRWAJEARUQKL-HUBLWGQQSA-N 1 0 363.552 3.557 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2csc3ccccc23)cc1 ZINC000516666973 945109845 /nfs/dbraw/zinc/10/98/45/945109845.db2.gz MUZPTYMVYNWRAP-GOSISDBHSA-N 1 0 366.486 3.539 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000178572162 935592965 /nfs/dbraw/zinc/59/29/65/935592965.db2.gz UPGKOXWYENGTTL-INIZCTEOSA-N 1 0 368.506 3.962 20 30 FHEDRO CC(C)C[N@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478429452 935631687 /nfs/dbraw/zinc/63/16/87/935631687.db2.gz DQBKDLHJVCOMJR-UHFFFAOYSA-N 1 0 370.518 3.533 20 30 FHEDRO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000582423121 935682016 /nfs/dbraw/zinc/68/20/16/935682016.db2.gz IBGCTFSXKOSYDR-KCXAZCMYSA-N 1 0 353.388 3.636 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)Cc2cc(C#N)cs2)C1 ZINC000892260720 935685283 /nfs/dbraw/zinc/68/52/83/935685283.db2.gz QMBSEYKONWQTNZ-YJBOKZPZSA-N 1 0 368.506 3.597 20 30 FHEDRO N#CCc1ccsc1C(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC000892260741 935686773 /nfs/dbraw/zinc/68/67/73/935686773.db2.gz CIFONTLYIWYOQQ-RTBURBONSA-N 1 0 365.502 3.696 20 30 FHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1ccc(F)c(F)c1 ZINC000187757395 935687526 /nfs/dbraw/zinc/68/75/26/935687526.db2.gz DCFQBZKJAZBDJY-AUUYWEPGSA-N 1 0 351.368 3.751 20 30 FHEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1=O ZINC000511124704 935700223 /nfs/dbraw/zinc/70/02/23/935700223.db2.gz UFGQPNHXNGZHQY-DOTOQJQBSA-N 1 0 352.400 3.672 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000582474631 935761470 /nfs/dbraw/zinc/76/14/70/935761470.db2.gz QORQEHVFFGWBRQ-IKGGRYGDSA-N 1 0 372.538 3.792 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000097036584 935770547 /nfs/dbraw/zinc/77/05/47/935770547.db2.gz AIFOJBUPZNBCPQ-LJQANCHMSA-N 1 0 352.413 3.656 20 30 FHEDRO C=CCc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)cc(OC)c1OC ZINC000152687461 935775386 /nfs/dbraw/zinc/77/53/86/935775386.db2.gz KXKXKORCKHIFSR-INIZCTEOSA-N 1 0 372.509 3.521 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1OC ZINC000277650068 935779693 /nfs/dbraw/zinc/77/96/93/935779693.db2.gz DNTJQPNICLRIGN-IUODEOHRSA-N 1 0 370.287 3.537 20 30 FHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000511145228 935785794 /nfs/dbraw/zinc/78/57/94/935785794.db2.gz LSVOOYRTBNSJFN-MRXNPFEDSA-N 1 0 367.415 3.647 20 30 FHEDRO N#Cc1csc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000178602469 935814521 /nfs/dbraw/zinc/81/45/21/935814521.db2.gz YBHVTQGKDXXDDS-OALUTQOASA-N 1 0 365.502 3.746 20 30 FHEDRO Cc1ccc([C@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000113326193 935816366 /nfs/dbraw/zinc/81/63/66/935816366.db2.gz OGFCNWOLMKNPLM-OAQYLSRUSA-N 1 0 360.461 3.595 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000472232586 935844906 /nfs/dbraw/zinc/84/49/06/935844906.db2.gz NAAXKRFABRHLIL-ZWKOTPCHSA-N 1 0 366.509 3.542 20 30 FHEDRO COc1ccc([C@H](CCC#N)[NH2+][C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000375723190 935892869 /nfs/dbraw/zinc/89/28/69/935892869.db2.gz DEJYYBURASMWEP-ICSRJNTNSA-N 1 0 350.466 3.694 20 30 FHEDRO C=CCN1CC[C@@H]([N@H+](C)Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000684966143 935914584 /nfs/dbraw/zinc/91/45/84/935914584.db2.gz BHHRNARKVZEGIM-HSZRJFAPSA-N 1 0 373.500 3.908 20 30 FHEDRO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000472237712 935916307 /nfs/dbraw/zinc/91/63/07/935916307.db2.gz GRQOPZZTWYHDDR-IRLDBZIGSA-N 1 0 361.489 3.690 20 30 FHEDRO Cn1cc(C[NH2+]CCc2nc3ccccc3s2)c(-c2ccc(C#N)cc2)n1 ZINC000480000575 935941609 /nfs/dbraw/zinc/94/16/09/935941609.db2.gz UEYYWUANQOASBW-UHFFFAOYSA-N 1 0 373.485 3.901 20 30 FHEDRO N#Cc1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000166158840 935980170 /nfs/dbraw/zinc/98/01/70/935980170.db2.gz QVFJIMOMUANUBL-AWEZNQCLSA-N 1 0 356.451 3.852 20 30 FHEDRO CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000582733696 936026909 /nfs/dbraw/zinc/02/69/09/936026909.db2.gz AFGMUIMILGOAJA-AVRDEDQJSA-N 1 0 361.489 3.990 20 30 FHEDRO C=CC[NH+](CC=C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472252571 936047032 /nfs/dbraw/zinc/04/70/32/936047032.db2.gz UIYKFHZLPRPMRS-UHFFFAOYSA-N 1 0 366.465 3.621 20 30 FHEDRO C[C@@H]1CCC[C@@](CNC(=O)N[C@H](CCC#N)c2ccccc2)([NH+](C)C)C1 ZINC000438855931 945143337 /nfs/dbraw/zinc/14/33/37/945143337.db2.gz KHOMURUTSFKMAJ-YFVAEKQCSA-N 1 0 356.514 3.841 20 30 FHEDRO COc1cc2cccnc2c(N(c2ccnc(C#N)c2)[C@H](C)CCC[NH3+])c1 ZINC001167611260 936080012 /nfs/dbraw/zinc/08/00/12/936080012.db2.gz KOQGBTDYKGXTGU-OAHLLOKOSA-N 1 0 361.449 3.776 20 30 FHEDRO N#Cc1cnc2ccc(Cl)cc2c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000078292800 936089685 /nfs/dbraw/zinc/08/96/85/936089685.db2.gz JUAWUXISGUEOIQ-CQSZACIVSA-N 1 0 370.884 3.673 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Sc3ccncc3)cc2)CC1 ZINC000153310243 936104079 /nfs/dbraw/zinc/10/40/79/936104079.db2.gz YZVGIGTUSOIKNZ-UHFFFAOYSA-N 1 0 351.475 3.517 20 30 FHEDRO C=CCC1([NH2+]Cc2cnc3c(C)cc(Br)cn23)CCOCC1 ZINC000657633667 936124192 /nfs/dbraw/zinc/12/41/92/936124192.db2.gz VFFYYADJLNOVND-UHFFFAOYSA-N 1 0 364.287 3.620 20 30 FHEDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncc(F)c(Oc2ccc(C#N)cc2)n1 ZINC001167625313 936196760 /nfs/dbraw/zinc/19/67/60/936196760.db2.gz VICURLRQUQGTOT-UHFFFAOYSA-N 1 0 369.444 3.764 20 30 FHEDRO COCC[N@H+](C)CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838277 936200596 /nfs/dbraw/zinc/20/05/96/936200596.db2.gz BYDQDIJHQDFDML-XZOQPEGZSA-N 1 0 363.505 3.845 20 30 FHEDRO C[C@@H]1CCN(c2c(C#N)nnc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000078689663 936242358 /nfs/dbraw/zinc/24/23/58/936242358.db2.gz WGCKCWMVQVBAEV-QGZVFWFLSA-N 1 0 357.461 3.602 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)COc1ccc(Cl)c2ccccc12 ZINC000519143146 945152431 /nfs/dbraw/zinc/15/24/31/945152431.db2.gz FYBIALOCVXINET-UHFFFAOYSA-N 1 0 373.884 3.566 20 30 FHEDRO N#Cc1cccnc1OC1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000583539818 938296578 /nfs/dbraw/zinc/29/65/78/938296578.db2.gz SBLLLJGKSJSTJP-UHFFFAOYSA-N 1 0 355.482 3.725 20 30 FHEDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(C#N)cc1 ZINC000278328287 938308819 /nfs/dbraw/zinc/30/88/19/938308819.db2.gz VYNHYGJAQPJQBC-FQEVSTJZSA-N 1 0 353.441 3.775 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245696810 938311420 /nfs/dbraw/zinc/31/14/20/938311420.db2.gz BDWZIRQQVOUJLW-BZUAXINKSA-N 1 0 358.511 3.639 20 30 FHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329315486 938346244 /nfs/dbraw/zinc/34/62/44/938346244.db2.gz QLAHYOCSCSMDNZ-OAHLLOKOSA-N 1 0 372.419 3.772 20 30 FHEDRO CC[C@](C)(C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)OC ZINC000926521066 938359990 /nfs/dbraw/zinc/35/99/90/938359990.db2.gz XOAUUENNQSCLLW-VQIMIIECSA-N 1 0 367.534 3.711 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000458660414 938388200 /nfs/dbraw/zinc/38/82/00/938388200.db2.gz FPRGRIBNESPFDS-AUUYWEPGSA-N 1 0 363.452 3.708 20 30 FHEDRO C[C@@H]1C[C@H](NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[N@@H+]1C ZINC000329501894 938452476 /nfs/dbraw/zinc/45/24/76/938452476.db2.gz AHZNXHVDXWKRHQ-TZMCWYRMSA-N 1 0 373.478 3.521 20 30 FHEDRO C[NH+](C)CCN(C/C=C/c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000583961602 938505302 /nfs/dbraw/zinc/50/53/02/938505302.db2.gz ICJIHSSAPFHWKA-ONEGZZNKSA-N 1 0 355.432 3.913 20 30 FHEDRO C=C(CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000458752497 938524134 /nfs/dbraw/zinc/52/41/34/938524134.db2.gz HFOWDYPNUQADBA-UHFFFAOYSA-N 1 0 369.431 3.758 20 30 FHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C3(C#N)CCCCC3)cc2)CC1 ZINC000132647422 938533779 /nfs/dbraw/zinc/53/37/79/938533779.db2.gz OAKDAEAISRNIJR-UHFFFAOYSA-N 1 0 368.525 3.877 20 30 FHEDRO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536193455 938543602 /nfs/dbraw/zinc/54/36/02/938543602.db2.gz VGCXEJZRHSXPTQ-FGZHOGPDSA-N 1 0 363.505 3.872 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000151472720 938552007 /nfs/dbraw/zinc/55/20/07/938552007.db2.gz UVXIWFVTIWJDFK-VQTJNVASSA-N 1 0 350.466 3.634 20 30 FHEDRO CC[N@H+](CC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1CC1 ZINC000151512724 938558867 /nfs/dbraw/zinc/55/88/67/938558867.db2.gz AIFCWNDRFQZSIF-UHFFFAOYSA-N 1 0 363.461 3.754 20 30 FHEDRO Cc1nc(C(C)(C)C)sc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329640778 938568441 /nfs/dbraw/zinc/56/84/41/938568441.db2.gz ZMSRZXNMTZEYEH-CQSZACIVSA-N 1 0 365.543 3.555 20 30 FHEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000329653923 938579899 /nfs/dbraw/zinc/57/98/99/938579899.db2.gz LLLBRLAOXSWLEK-JAXLGGSGSA-N 1 0 366.509 3.581 20 30 FHEDRO C=CCn1c(SCC[NH+]2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccccn1 ZINC000584064780 938580646 /nfs/dbraw/zinc/58/06/46/938580646.db2.gz NDHUOXIJOJAFAZ-HOTGVXAUSA-N 1 0 357.527 3.596 20 30 FHEDRO C[NH+](C)CCC1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458795621 938596579 /nfs/dbraw/zinc/59/65/79/938596579.db2.gz CQDMMTPWCNBSIP-HXUWFJFHSA-N 1 0 356.514 3.795 20 30 FHEDRO C=CC[N@@H+](CCCc1cnccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000584140070 938612954 /nfs/dbraw/zinc/61/29/54/938612954.db2.gz PGTAMHPEEFSAAF-SFHVURJKSA-N 1 0 362.481 3.548 20 30 FHEDRO CN(CC(C)(C)C#N)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000584216602 938645776 /nfs/dbraw/zinc/64/57/76/938645776.db2.gz FOJNZQKDJBGCIX-KRWDZBQOSA-N 1 0 362.905 3.668 20 30 FHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCc3ccccc3C2)c(-c2ccncc2)n1 ZINC000278685354 938651429 /nfs/dbraw/zinc/65/14/29/938651429.db2.gz PIJHFRFEHWWLRS-OAQYLSRUSA-N 1 0 357.461 3.506 20 30 FHEDRO N#CCCn1cc(C[NH2+]CC2(Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000278685470 938651874 /nfs/dbraw/zinc/65/18/74/938651874.db2.gz PMGPFOQUCYVKJP-UHFFFAOYSA-N 1 0 371.488 3.971 20 30 FHEDRO N#Cc1cnn2cc(C[NH2+]CC3(Sc4ccccc4)CCCC3)cnc12 ZINC000584411079 938834404 /nfs/dbraw/zinc/83/44/04/938834404.db2.gz IZMSDKQTDZPFLP-UHFFFAOYSA-N 1 0 363.490 3.796 20 30 FHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000158845197 938891403 /nfs/dbraw/zinc/89/14/03/938891403.db2.gz AZWJVCHDNMDIGL-IBGZPJMESA-N 1 0 363.461 3.691 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1CC#N)c1cccc(OC)c1 ZINC000600983737 938928914 /nfs/dbraw/zinc/92/89/14/938928914.db2.gz NWIPEMIJOTWQHZ-NRFANRHFSA-N 1 0 365.477 3.574 20 30 FHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458798347 938936098 /nfs/dbraw/zinc/93/60/98/938936098.db2.gz HVVHSCKUKACXNT-UXHICEINSA-N 1 0 356.514 3.937 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000074877125 938972936 /nfs/dbraw/zinc/97/29/36/938972936.db2.gz NBQZAUIJYCERDI-RTWAWAEBSA-N 1 0 371.525 3.555 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2cnccc2C)c1 ZINC000611938660 938993446 /nfs/dbraw/zinc/99/34/46/938993446.db2.gz GTMXXPMLRPFUSQ-MOPGFXCFSA-N 1 0 364.493 3.993 20 30 FHEDRO C=CCn1c(CC2CCCC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548840000 938993876 /nfs/dbraw/zinc/99/38/76/938993876.db2.gz XQCMHNIONHBNOI-UHFFFAOYSA-N 1 0 359.562 3.753 20 30 FHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cnccc2C)c1 ZINC000611940161 938993942 /nfs/dbraw/zinc/99/39/42/938993942.db2.gz VUVWROBSBFCJJR-SFHVURJKSA-N 1 0 350.466 3.604 20 30 FHEDRO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000685550876 938999083 /nfs/dbraw/zinc/99/90/83/938999083.db2.gz MBTDXSOYSGJSBX-VQIMIIECSA-N 1 0 371.504 3.745 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2oc3c(cccc3C)c2C)CC1 ZINC000650853042 939004576 /nfs/dbraw/zinc/00/45/76/939004576.db2.gz ZQYKZRNSSVCXTL-UHFFFAOYSA-N 1 0 355.482 3.841 20 30 FHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1ccnn1C ZINC000507402377 945222549 /nfs/dbraw/zinc/22/25/49/945222549.db2.gz KVWAEIONFJGJAF-UHFFFAOYSA-N 1 0 360.461 3.607 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)c2cccs2)CC1 ZINC000612091884 939049542 /nfs/dbraw/zinc/04/95/42/939049542.db2.gz YAMKPTWQTZHEAH-XLIONFOSSA-N 1 0 374.554 3.856 20 30 FHEDRO CCCCN(C(=O)c1ccc(C#N)c(O)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000188262625 939114669 /nfs/dbraw/zinc/11/46/69/939114669.db2.gz GVMKCQAUAZYZNC-UHFFFAOYSA-N 1 0 357.498 3.815 20 30 FHEDRO N#Cc1ccc(CC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000612131628 939118384 /nfs/dbraw/zinc/11/83/84/939118384.db2.gz GIGGEPREGZMAJG-YTFSRNRJSA-N 1 0 373.500 3.518 20 30 FHEDRO N#CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000612132474 939123907 /nfs/dbraw/zinc/12/39/07/939123907.db2.gz TXDITEPFWMFRBH-XPWALMASSA-N 1 0 373.500 3.783 20 30 FHEDRO C#CCCOc1ccc(C[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)cc1 ZINC000179436763 939159830 /nfs/dbraw/zinc/15/98/30/939159830.db2.gz NDGGNKOCXZHNQQ-GOSISDBHSA-N 1 0 371.506 3.688 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(F)cc(F)c1 ZINC000507429963 945231741 /nfs/dbraw/zinc/23/17/41/945231741.db2.gz QXRFUCCNWAZPLL-ORAYPTAESA-N 1 0 355.388 3.683 20 30 FHEDRO C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507429555 945232060 /nfs/dbraw/zinc/23/20/60/945232060.db2.gz PASBSDNSYMUMNY-IIBYNOLFSA-N 1 0 365.452 3.804 20 30 FHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cccc(F)c3C#N)cc2)C1 ZINC000427256464 945232732 /nfs/dbraw/zinc/23/27/32/945232732.db2.gz KBPLDDXAVZLNAX-HNNXBMFYSA-N 1 0 367.424 3.670 20 30 FHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001125784664 939180760 /nfs/dbraw/zinc/18/07/60/939180760.db2.gz XAPMYCHQTHZLPT-LJQANCHMSA-N 1 0 363.505 3.636 20 30 FHEDRO C[NH2+]CCN(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414901170 945243221 /nfs/dbraw/zinc/24/32/21/945243221.db2.gz IMOIZVMCEZQINJ-QGZVFWFLSA-N 1 0 356.857 3.679 20 30 FHEDRO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427280060 945248532 /nfs/dbraw/zinc/24/85/32/945248532.db2.gz KBDNPFAIDFVCJJ-SFHVURJKSA-N 1 0 353.514 3.690 20 30 FHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000511839477 945256597 /nfs/dbraw/zinc/25/65/97/945256597.db2.gz VMELNHCBZOVVHO-JMJGKCIBSA-N 1 0 362.473 3.566 20 30 FHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1 ZINC000507491306 945276825 /nfs/dbraw/zinc/27/68/25/945276825.db2.gz LBLNHIARPFTPHQ-UHFFFAOYSA-N 1 0 367.468 3.743 20 30 FHEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2C)cc1OCCCC#N ZINC000091967777 939886307 /nfs/dbraw/zinc/88/63/07/939886307.db2.gz ZOYIOIHDYVCPIQ-LJQANCHMSA-N 1 0 368.481 3.757 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[NH2+]CC3)cc2Cl)cc1 ZINC000414972817 945282149 /nfs/dbraw/zinc/28/21/49/945282149.db2.gz YMZVTSNBTLAVPV-UHFFFAOYSA-N 1 0 370.840 3.831 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ncc[nH]3)C3CCCCC3)CC2)nc1 ZINC000375813279 939930456 /nfs/dbraw/zinc/93/04/56/939930456.db2.gz ZBNSPWPMFKZOIK-HXUWFJFHSA-N 1 0 364.497 3.556 20 30 FHEDRO N#Cc1ccccc1Cn1cccc1C[NH2+][C@@H]1C[C@H](CO)c2ccccc21 ZINC000364554570 939962460 /nfs/dbraw/zinc/96/24/60/939962460.db2.gz YMPNNLHOZWDVND-AUSIDOKSSA-N 1 0 357.457 3.719 20 30 FHEDRO CCOCCC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000269829456 939965913 /nfs/dbraw/zinc/96/59/13/939965913.db2.gz RMRVFLMODYWVGZ-UHFFFAOYSA-N 1 0 352.482 3.760 20 30 FHEDRO C=CCC[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccco1 ZINC000375851784 939974062 /nfs/dbraw/zinc/97/40/62/939974062.db2.gz MRDLUDGWUGNCGH-DLBZAZTESA-N 1 0 356.470 3.802 20 30 FHEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000548914022 939985518 /nfs/dbraw/zinc/98/55/18/939985518.db2.gz QCCBIEZKDRGIPS-UHFFFAOYSA-N 1 0 365.481 3.844 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000612357752 940020667 /nfs/dbraw/zinc/02/06/67/940020667.db2.gz FVSAVUXRKAUPMG-UYAOXDASSA-N 1 0 374.916 3.812 20 30 FHEDRO N#Cc1ccccc1OCC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000548926273 940045447 /nfs/dbraw/zinc/04/54/47/940045447.db2.gz QFNUPIBWTNGESG-UHFFFAOYSA-N 1 0 365.452 3.603 20 30 FHEDRO N#Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000365171163 940076140 /nfs/dbraw/zinc/07/61/40/940076140.db2.gz PCIZRVYHBYKLJE-DENIHFKCSA-N 1 0 371.444 3.557 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2ccccc2c1 ZINC000065931283 940078758 /nfs/dbraw/zinc/07/87/58/940078758.db2.gz FZDDBSAHMJSFCD-UHFFFAOYSA-N 1 0 357.457 3.915 20 30 FHEDRO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000548936639 940103530 /nfs/dbraw/zinc/10/35/30/940103530.db2.gz JAZPJPRYCGKJJB-CYBMUJFWSA-N 1 0 372.266 3.919 20 30 FHEDRO CC(C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000548936873 940107980 /nfs/dbraw/zinc/10/79/80/940107980.db2.gz PTOHCHNWVKLYGX-YCRPNKLZSA-N 1 0 353.441 3.861 20 30 FHEDRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1ccc(C#N)cc1 ZINC000548936309 940112411 /nfs/dbraw/zinc/11/24/11/940112411.db2.gz PSWCJRZSUDRPJF-LBPRGKRZSA-N 1 0 352.419 3.564 20 30 FHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000365303592 940117233 /nfs/dbraw/zinc/11/72/33/940117233.db2.gz ATHLIJLHNOQEGQ-OAQYLSRUSA-N 1 0 362.477 3.858 20 30 FHEDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1ccc(C#N)cc1Cl ZINC000365301638 940117280 /nfs/dbraw/zinc/11/72/80/940117280.db2.gz ZUARCVIIZCAYMK-GOEBONIOSA-N 1 0 355.873 3.569 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)NCCCC)cc1 ZINC000065981138 940147365 /nfs/dbraw/zinc/14/73/65/940147365.db2.gz UPVOUESPGKTPIN-UHFFFAOYSA-N 1 0 350.462 3.518 20 30 FHEDRO CCN(CCC[NH+](CC)CC)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000472442206 940154880 /nfs/dbraw/zinc/15/48/80/940154880.db2.gz JXJHLBNUYAIZGP-UHFFFAOYSA-N 1 0 355.442 3.573 20 30 FHEDRO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000612588045 940164781 /nfs/dbraw/zinc/16/47/81/940164781.db2.gz NLBPDGCTQDAZFD-KRWDZBQOSA-N 1 0 367.880 3.854 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000413835869 940173739 /nfs/dbraw/zinc/17/37/39/940173739.db2.gz OGWVPKUJXOSVRQ-AZUAARDMSA-N 1 0 355.526 3.690 20 30 FHEDRO C[C@H]1CCC[C@](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)([NH+](C)C)C1 ZINC000507524835 945303134 /nfs/dbraw/zinc/30/31/34/945303134.db2.gz CBRAGDGGEDMXSU-BTYIYWSLSA-N 1 0 359.489 3.602 20 30 FHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000124544446 945305241 /nfs/dbraw/zinc/30/52/41/945305241.db2.gz CUGTZSFFNHKHFF-MRXNPFEDSA-N 1 0 359.901 3.796 20 30 FHEDRO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180030920 940275539 /nfs/dbraw/zinc/27/55/39/940275539.db2.gz IPLHMNNMPHUZMA-MRXNPFEDSA-N 1 0 364.445 3.663 20 30 FHEDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000612828389 940299679 /nfs/dbraw/zinc/29/96/79/940299679.db2.gz LLEXGZVBBVIKKC-KRWDZBQOSA-N 1 0 353.491 3.611 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000466920393 940299945 /nfs/dbraw/zinc/29/99/45/940299945.db2.gz PKMVALFPGGJCCB-WFASDCNBSA-N 1 0 353.919 3.582 20 30 FHEDRO C[C@H]1C[C@H](Nc2c(C#N)cnc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000584502659 940303018 /nfs/dbraw/zinc/30/30/18/940303018.db2.gz POKKUGBOAPZKFB-AAEUAGOBSA-N 1 0 371.282 3.906 20 30 FHEDRO C=CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC)c1ccccc1 ZINC000413936137 940304147 /nfs/dbraw/zinc/30/41/47/940304147.db2.gz FUGCQMHGXHBKLA-LJQANCHMSA-N 1 0 368.477 3.934 20 30 FHEDRO C=CCC[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000612895424 940332124 /nfs/dbraw/zinc/33/21/24/940332124.db2.gz DBRKRKAFUOTTAE-DOTOQJQBSA-N 1 0 355.404 3.764 20 30 FHEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000612906394 940333346 /nfs/dbraw/zinc/33/33/46/940333346.db2.gz XPDFFSFTPUQYEJ-PMACEKPBSA-N 1 0 365.502 3.896 20 30 FHEDRO C=CCc1ccc(OCC(=O)N(CC[NH+](C)C)C2CCCCC2)c(OC)c1 ZINC000511404933 940380549 /nfs/dbraw/zinc/38/05/49/940380549.db2.gz CUVYSFIHGXYWPA-UHFFFAOYSA-N 1 0 374.525 3.525 20 30 FHEDRO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1OC ZINC000579938173 940422204 /nfs/dbraw/zinc/42/22/04/940422204.db2.gz ZYHYEQAQMUJQJG-UHFFFAOYSA-N 1 0 360.841 3.917 20 30 FHEDRO Cn1c2ccccc2cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1=O ZINC000580269023 940471370 /nfs/dbraw/zinc/47/13/70/940471370.db2.gz ZMKOJEPCTYSREG-OAQYLSRUSA-N 1 0 357.457 3.967 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC[N@H+](CCCc3ccccc3)CC1)CCC2 ZINC000506786224 945323481 /nfs/dbraw/zinc/32/34/81/945323481.db2.gz KBXSIVYSNLJMKL-UHFFFAOYSA-N 1 0 360.505 3.587 20 30 FHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nnc(-c4ccc(F)cc4)n3C1)CC2 ZINC000580488149 940476686 /nfs/dbraw/zinc/47/66/86/940476686.db2.gz AKVQSGFQIOTGAY-UYAOXDASSA-N 1 0 373.435 3.548 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c(Br)c1 ZINC000613179320 940480085 /nfs/dbraw/zinc/48/00/85/940480085.db2.gz TZQKVLUZTBBPNJ-INIZCTEOSA-N 1 0 356.267 3.780 20 30 FHEDRO Cc1nn(-c2ccccc2)c(CN2CC[C@@H](Cc3ccncc3)C2)c1C#N ZINC000613179272 940480111 /nfs/dbraw/zinc/48/01/11/940480111.db2.gz RSXMVLJKSWVGMH-IBGZPJMESA-N 1 0 357.461 3.512 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000580821123 940486370 /nfs/dbraw/zinc/48/63/70/940486370.db2.gz ALXIUVSTWSWRMM-SFHVURJKSA-N 1 0 362.433 3.709 20 30 FHEDRO C[NH+](C)C1(CNC(=O)N[C@H](CCCC#N)c2ccccc2)CCCCC1 ZINC000431780743 940496218 /nfs/dbraw/zinc/49/62/18/940496218.db2.gz GWEPRFOSUWLIPZ-LJQANCHMSA-N 1 0 356.514 3.985 20 30 FHEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2c(C#N)cnc3ccccc32)CC1 ZINC000581306330 940501009 /nfs/dbraw/zinc/50/10/09/940501009.db2.gz CZONTSUZQPSRTE-MRXNPFEDSA-N 1 0 357.461 3.561 20 30 FHEDRO C=CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)cc1OC ZINC000511481792 940603454 /nfs/dbraw/zinc/60/34/54/940603454.db2.gz ZKVRHAQJFMBAMS-HKUYNNGSSA-N 1 0 374.525 3.777 20 30 FHEDRO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000581828710 940620045 /nfs/dbraw/zinc/62/00/45/940620045.db2.gz NBAYOVDMIKHHJB-PMACEKPBSA-N 1 0 360.461 3.884 20 30 FHEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+]Cc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000582137498 940649873 /nfs/dbraw/zinc/64/98/73/940649873.db2.gz SITASPWYBZBORT-NRFANRHFSA-N 1 0 370.460 3.550 20 30 FHEDRO Cn1nc(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2ccccc21 ZINC000582151778 940650893 /nfs/dbraw/zinc/65/08/93/940650893.db2.gz PCSOMFHBFWZERD-UHFFFAOYSA-N 1 0 358.367 3.796 20 30 FHEDRO CN(Cc1ccccc1)C(=O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507582168 945340302 /nfs/dbraw/zinc/34/03/02/945340302.db2.gz INIQKZVRUGQWAC-UHFFFAOYSA-N 1 0 361.489 3.639 20 30 FHEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000613447385 940713197 /nfs/dbraw/zinc/71/31/97/940713197.db2.gz UFTADXQZYLYAOH-UHFFFAOYSA-N 1 0 356.510 3.854 20 30 FHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1ccc(F)c(F)c1 ZINC000187791552 940732685 /nfs/dbraw/zinc/73/26/85/940732685.db2.gz ZXMMXIXZMNOSRL-KSSFIOAISA-N 1 0 353.434 3.811 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000170651011 940763999 /nfs/dbraw/zinc/76/39/99/940763999.db2.gz NDPIRYDPUCEKMJ-UHFFFAOYSA-N 1 0 366.440 3.602 20 30 FHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000414205307 940764130 /nfs/dbraw/zinc/76/41/30/940764130.db2.gz CNRLBFFCGFUGEA-CYBMUJFWSA-N 1 0 362.882 3.856 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000549038319 940796089 /nfs/dbraw/zinc/79/60/89/940796089.db2.gz UYGUQKXKSWAKQD-RHSMWYFYSA-N 1 0 352.413 3.654 20 30 FHEDRO O=C(Cc1csc(-c2cnccn2)n1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330083013 945349587 /nfs/dbraw/zinc/34/95/87/945349587.db2.gz BFDOISHVSJWKTL-UHFFFAOYSA-N 1 0 371.510 3.506 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330092431 945353617 /nfs/dbraw/zinc/35/36/17/945353617.db2.gz YRENBZJYCOXLGU-GUDVDZBRSA-N 1 0 369.509 3.953 20 30 FHEDRO Cc1cc(F)c(C#N)c(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)c1 ZINC000892587432 940855151 /nfs/dbraw/zinc/85/51/51/940855151.db2.gz WVVFZYDOSMFVPI-UHFFFAOYSA-N 1 0 359.474 3.796 20 30 FHEDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1(C)C ZINC000180250979 940875986 /nfs/dbraw/zinc/87/59/86/940875986.db2.gz ADIWRPRZCYBMHN-WIYYLYMNSA-N 1 0 352.482 3.594 20 30 FHEDRO Cc1cccc(O[C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180253585 940883964 /nfs/dbraw/zinc/88/39/64/940883964.db2.gz AFXFIYXWOBHBPJ-KRWDZBQOSA-N 1 0 360.461 3.824 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Oc1ccc(F)cc1 ZINC000180256714 940884486 /nfs/dbraw/zinc/88/44/86/940884486.db2.gz NZWMSYCDGOFPEW-HNNXBMFYSA-N 1 0 364.424 3.655 20 30 FHEDRO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000310830150 940909052 /nfs/dbraw/zinc/90/90/52/940909052.db2.gz JMUKJAQMMQFMSQ-UHFFFAOYSA-N 1 0 357.479 3.934 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000376397781 940912234 /nfs/dbraw/zinc/91/22/34/940912234.db2.gz KKHHPHPGELGXHM-MRXNPFEDSA-N 1 0 373.463 3.791 20 30 FHEDRO N#Cc1c(Cl)nc(Cl)c(-n2nc(C[NH3+])c3ccccc32)c1Cl ZINC001167696621 940919167 /nfs/dbraw/zinc/91/91/67/940919167.db2.gz HCTZJYRNHDSKJW-UHFFFAOYSA-N 1 0 352.612 3.711 20 30 FHEDRO O=C(Nc1ccc(N2CCCC2=O)cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330121525 945365702 /nfs/dbraw/zinc/36/57/02/945365702.db2.gz JRQNELAZEONMLH-UHFFFAOYSA-N 1 0 370.497 3.546 20 30 FHEDRO CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000414312157 940939094 /nfs/dbraw/zinc/93/90/94/940939094.db2.gz WEWJEEKDZRZGNC-JOCHJYFZSA-N 1 0 363.505 3.626 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc(SCC#N)c2)C1 ZINC000176016398 940967442 /nfs/dbraw/zinc/96/74/42/940967442.db2.gz PIHVWAVCHOSBMU-IAGOWNOFSA-N 1 0 359.539 3.790 20 30 FHEDRO COc1c(C)cc(CN(C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1C ZINC000507602310 945363970 /nfs/dbraw/zinc/36/39/70/945363970.db2.gz UDBYYVZZGCZYLZ-HNNXBMFYSA-N 1 0 369.465 3.853 20 30 FHEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1C ZINC000330120601 945364855 /nfs/dbraw/zinc/36/48/55/945364855.db2.gz JDLWWIWSUGOKGS-PQUAAJSLSA-N 1 0 361.534 3.904 20 30 FHEDRO CC(C)(C)OCCCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000475046250 945367443 /nfs/dbraw/zinc/36/74/43/945367443.db2.gz JPNJEKYWQDFBRY-UHFFFAOYSA-N 1 0 366.509 3.824 20 30 FHEDRO C=CCCC1(CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCCC1 ZINC000659040791 941043549 /nfs/dbraw/zinc/04/35/49/941043549.db2.gz MXSMPERCVNSDKD-LJQANCHMSA-N 1 0 357.498 3.996 20 30 FHEDRO C=CC[C@H]1N(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCCC1(C)C ZINC000659044424 941045154 /nfs/dbraw/zinc/04/51/54/941045154.db2.gz UFRCMMBWAGUUIN-RBUKOAKNSA-N 1 0 357.498 3.946 20 30 FHEDRO C=CC[C@H]1N(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCCC1(C)C ZINC000659044425 941045253 /nfs/dbraw/zinc/04/52/53/941045253.db2.gz UFRCMMBWAGUUIN-RTBURBONSA-N 1 0 357.498 3.946 20 30 FHEDRO N#CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000180552294 941046537 /nfs/dbraw/zinc/04/65/37/941046537.db2.gz NLGTTYYXEQEWEU-XLIONFOSSA-N 1 0 365.433 3.998 20 30 FHEDRO CC(C)Cn1ccc2cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc21 ZINC000176559451 941060644 /nfs/dbraw/zinc/06/06/44/941060644.db2.gz ZFUISPZVYQBXHS-UHFFFAOYSA-N 1 0 369.513 3.997 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000376473125 941066043 /nfs/dbraw/zinc/06/60/43/941066043.db2.gz RJQXKBXVSYIQGV-AZUAARDMSA-N 1 0 352.482 3.965 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000472602246 941068764 /nfs/dbraw/zinc/06/87/64/941068764.db2.gz PLSXBZNPMZXUJN-IHPCNDPISA-N 1 0 353.510 3.719 20 30 FHEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2ccccc2)cc1 ZINC000180870640 941087115 /nfs/dbraw/zinc/08/71/15/941087115.db2.gz POCBHGQAEZHBNX-XGNMISCSSA-N 1 0 361.445 3.531 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCc2ccc(OC)cc21)C(C)C ZINC000431830616 941093550 /nfs/dbraw/zinc/09/35/50/941093550.db2.gz KOGOXOYYMVROLG-CTNGQTDRSA-N 1 0 356.510 3.540 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000188839121 941107716 /nfs/dbraw/zinc/10/77/16/941107716.db2.gz ZEQZNEVMIWNHHN-UHFFFAOYSA-N 1 0 363.486 3.630 20 30 FHEDRO CCC[NH+]1CCC(N(C)Cc2ccc(C#N)cc2Br)CC1 ZINC000181133934 941110452 /nfs/dbraw/zinc/11/04/52/941110452.db2.gz LVJQVPGZTFPFJU-UHFFFAOYSA-N 1 0 350.304 3.627 20 30 FHEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000189476501 941158736 /nfs/dbraw/zinc/15/87/36/941158736.db2.gz FUAZRNQGROFOBA-INIZCTEOSA-N 1 0 364.449 3.766 20 30 FHEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000189510417 941159376 /nfs/dbraw/zinc/15/93/76/941159376.db2.gz VUBLXHQRVPNMJK-GDBMZVCRSA-N 1 0 351.903 3.804 20 30 FHEDRO C[C@]1(CNc2ccc([N+](=O)[O-])c(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000311382644 941268569 /nfs/dbraw/zinc/26/85/69/941268569.db2.gz BQBUNRKOAGBJSC-HXUWFJFHSA-N 1 0 350.422 3.791 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000178587408 941282461 /nfs/dbraw/zinc/28/24/61/941282461.db2.gz YSWQCDVADQQYRS-LJQANCHMSA-N 1 0 362.477 3.853 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCC[C@H]3CCO)c2)c1 ZINC000189929123 941306934 /nfs/dbraw/zinc/30/69/34/941306934.db2.gz LYUQCZYJXHKKHS-UNMCSNQZSA-N 1 0 350.462 3.778 20 30 FHEDRO NC(=NOCc1csc(C2CC2)n1)c1ccc(Br)cc1 ZINC000782949722 941325263 /nfs/dbraw/zinc/32/52/63/941325263.db2.gz XIMQOMJKZXLLRV-UHFFFAOYSA-N 1 0 352.257 3.620 20 30 FHEDRO N#Cc1ccccc1COc1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1 ZINC000414617714 941410978 /nfs/dbraw/zinc/41/09/78/941410978.db2.gz LNHAAUQFZDCYDO-UHFFFAOYSA-N 1 0 360.417 3.915 20 30 FHEDRO Cc1cnn(-c2ccc([C@@H](C)[NH2+]C[C@@H](O)c3ccc(C#N)cc3)cc2F)c1 ZINC000376834099 941443941 /nfs/dbraw/zinc/44/39/41/941443941.db2.gz VRMWOEFIRXHIMR-QVKFZJNVSA-N 1 0 364.424 3.576 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000415014522 941542317 /nfs/dbraw/zinc/54/23/17/941542317.db2.gz ZWMWZQOPQRKRNN-AWEZNQCLSA-N 1 0 352.438 3.687 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415017137 941543037 /nfs/dbraw/zinc/54/30/37/941543037.db2.gz DZNCVUPAPMPJDI-INIZCTEOSA-N 1 0 350.422 3.533 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC1([NH3+])CCC1 ZINC000415023535 941548064 /nfs/dbraw/zinc/54/80/64/941548064.db2.gz NEIKITNJSGXESS-UHFFFAOYSA-N 1 0 350.422 3.662 20 30 FHEDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415029362 941550526 /nfs/dbraw/zinc/55/05/26/941550526.db2.gz AVMDTMAGZMEXEN-KRWDZBQOSA-N 1 0 352.438 3.845 20 30 FHEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415031736 941555862 /nfs/dbraw/zinc/55/58/62/941555862.db2.gz FFFIVROLPZPXJC-QGZVFWFLSA-N 1 0 350.422 3.566 20 30 FHEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000415043016 941562360 /nfs/dbraw/zinc/56/23/60/941562360.db2.gz RBOFHHZKHGLVNC-ZBFHGGJFSA-N 1 0 350.422 3.552 20 30 FHEDRO CCN(C(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000549167198 941575492 /nfs/dbraw/zinc/57/54/92/941575492.db2.gz SLJUEYNCENZWBW-JKSUJKDBSA-N 1 0 353.441 3.958 20 30 FHEDRO CC[C@H](C(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1)c1ccccc1 ZINC000892809364 941577208 /nfs/dbraw/zinc/57/72/08/941577208.db2.gz MALSLEFXUWUNPK-QHCPKHFHSA-N 1 0 360.501 3.813 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H](C)CC[NH+](C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541122960 941629184 /nfs/dbraw/zinc/62/91/84/941629184.db2.gz SZRVQKPOYDTULH-DLBZAZTESA-N 1 0 364.493 3.926 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415144162 941631258 /nfs/dbraw/zinc/63/12/58/941631258.db2.gz BXKJUHPCZBWEKO-NVXWUHKLSA-N 1 0 364.449 3.942 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H]1C[NH3+] ZINC000415152822 941636015 /nfs/dbraw/zinc/63/60/15/941636015.db2.gz CFWYMRRKOGDGGT-RDJZCZTQSA-N 1 0 364.449 3.799 20 30 FHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(C[NH3+])CC3)c2)cc1 ZINC000415152935 941636069 /nfs/dbraw/zinc/63/60/69/941636069.db2.gz VRAFBELAVUTXCZ-UHFFFAOYSA-N 1 0 350.422 3.553 20 30 FHEDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415154467 941636386 /nfs/dbraw/zinc/63/63/86/941636386.db2.gz YAUBCZWXDOSKIZ-FQEVSTJZSA-N 1 0 352.438 3.845 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000415155585 941637076 /nfs/dbraw/zinc/63/70/76/941637076.db2.gz FMHGYBQLQIFFFD-GOEBONIOSA-N 1 0 354.479 3.760 20 30 FHEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000178316297 941638016 /nfs/dbraw/zinc/63/80/16/941638016.db2.gz UZWJRQFQACJKLQ-HNNXBMFYSA-N 1 0 355.434 3.575 20 30 FHEDRO CCCN(C(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC[NH2+]CC1 ZINC000415165533 941647253 /nfs/dbraw/zinc/64/72/53/941647253.db2.gz QSZBCOVQLJNZNS-HNNXBMFYSA-N 1 0 360.527 3.934 20 30 FHEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000549217572 941660823 /nfs/dbraw/zinc/66/08/23/941660823.db2.gz MBAPQYPPEIRGGF-QGZVFWFLSA-N 1 0 360.820 3.775 20 30 FHEDRO C=CCC[C@H](O)C[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000472757488 941689711 /nfs/dbraw/zinc/68/97/11/941689711.db2.gz VMPYQFJVJKJGKQ-SFHVURJKSA-N 1 0 356.432 3.540 20 30 FHEDRO C[C@](C[NH3+])(NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C1CC1 ZINC000415240763 941695957 /nfs/dbraw/zinc/69/59/57/941695957.db2.gz QVDVLPMAJMLGSO-HXUWFJFHSA-N 1 0 368.412 3.739 20 30 FHEDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415237895 941698061 /nfs/dbraw/zinc/69/80/61/941698061.db2.gz KERJGVNNNAGVHF-UHFFFAOYSA-N 1 0 370.428 3.938 20 30 FHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1c(C)nn(C)c1C ZINC000583491044 941698999 /nfs/dbraw/zinc/69/89/99/941698999.db2.gz DXWQFZZJTOSHQC-FQEVSTJZSA-N 1 0 351.498 3.618 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000174144890 941703295 /nfs/dbraw/zinc/70/32/95/941703295.db2.gz WJIUEDZCOWPOGA-DLBZAZTESA-N 1 0 357.498 3.889 20 30 FHEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000729267238 941705784 /nfs/dbraw/zinc/70/57/84/941705784.db2.gz NCFZUSSVJGRSJR-FQEVSTJZSA-N 1 0 352.434 3.943 20 30 FHEDRO C[NH+](C)C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000549239505 941705868 /nfs/dbraw/zinc/70/58/68/941705868.db2.gz DUIVZLHFZGSDIV-SFHVURJKSA-N 1 0 373.909 3.723 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)CC1 ZINC000729375017 941740887 /nfs/dbraw/zinc/74/08/87/941740887.db2.gz MGKXYSBGWRSEFP-UHFFFAOYSA-N 1 0 360.448 3.581 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N(CCC[NH3+])CC2CCCC2)cc1C#N ZINC000415311148 941750154 /nfs/dbraw/zinc/75/01/54/941750154.db2.gz YQIJPOSXMZAHPH-UHFFFAOYSA-N 1 0 358.486 3.718 20 30 FHEDRO N#Cc1nc(NC2CC[NH+](C3CCCCC3)CC2)ccc1C(F)(F)F ZINC000333363807 941787431 /nfs/dbraw/zinc/78/74/31/941787431.db2.gz UVPSLVOLUMBMDR-UHFFFAOYSA-N 1 0 352.404 3.603 20 30 FHEDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cc1 ZINC000415468244 941841743 /nfs/dbraw/zinc/84/17/43/941841743.db2.gz XNCVJWYANXNXTN-LLVKDONJSA-N 1 0 370.478 3.514 20 30 FHEDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000415529383 941880911 /nfs/dbraw/zinc/88/09/11/941880911.db2.gz ARJTZHYAXRMUHQ-IBGZPJMESA-N 1 0 364.449 3.860 20 30 FHEDRO C[C@@H]([NH3+])C1CCN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000415539340 941886760 /nfs/dbraw/zinc/88/67/60/941886760.db2.gz VGNUBKHZOYBETR-OAHLLOKOSA-N 1 0 364.449 3.942 20 30 FHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415559874 941905868 /nfs/dbraw/zinc/90/58/68/941905868.db2.gz FKGQLGOGMPQWJV-KRWDZBQOSA-N 1 0 353.470 3.716 20 30 FHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000513426450 941915035 /nfs/dbraw/zinc/91/50/35/941915035.db2.gz IEAXJQRNCUZVPS-UHFFFAOYSA-N 1 0 369.440 3.951 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000413824720 941965830 /nfs/dbraw/zinc/96/58/30/941965830.db2.gz DGWIUTABZMONAT-VWPQPMDRSA-N 1 0 367.537 3.832 20 30 FHEDRO CCCCCCCC[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N(C)CCOC)C1 ZINC001279870357 941966821 /nfs/dbraw/zinc/96/68/21/941966821.db2.gz CTCKEKAAYJBXKM-PZJWPPBQSA-N 1 0 352.563 3.944 20 30 FHEDRO C=CCOCC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549330713 941975228 /nfs/dbraw/zinc/97/52/28/941975228.db2.gz ZXOMOTADEWSEMJ-IVZBYUQCSA-N 1 0 362.901 3.573 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)cc1 ZINC000728712199 941985869 /nfs/dbraw/zinc/98/58/69/941985869.db2.gz YLYJKPOEBSFQIH-HOTGVXAUSA-N 1 0 352.434 3.817 20 30 FHEDRO N#CCC1(C[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000430029572 941993279 /nfs/dbraw/zinc/99/32/79/941993279.db2.gz XXYVTDCCWWZACC-UHFFFAOYSA-N 1 0 358.077 3.995 20 30 FHEDRO N#CCCOCCN1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000549367101 942057547 /nfs/dbraw/zinc/05/75/47/942057547.db2.gz XZBFWHQVYHIFID-UHFFFAOYSA-N 1 0 373.497 3.602 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000415803032 942059818 /nfs/dbraw/zinc/05/98/18/942059818.db2.gz ISTHMJXHTFIFPE-QGZVFWFLSA-N 1 0 352.463 3.568 20 30 FHEDRO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415806130 942061395 /nfs/dbraw/zinc/06/13/95/942061395.db2.gz NZVMHERVMMXNRT-FQEVSTJZSA-N 1 0 366.490 3.912 20 30 FHEDRO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000415806133 942061462 /nfs/dbraw/zinc/06/14/62/942061462.db2.gz NZVMHERVMMXNRT-HXUWFJFHSA-N 1 0 366.490 3.912 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415809869 942063710 /nfs/dbraw/zinc/06/37/10/942063710.db2.gz UVQTWIINYNZWDQ-PBHICJAKSA-N 1 0 366.490 3.958 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000513661342 942070158 /nfs/dbraw/zinc/07/01/58/942070158.db2.gz OHENMIATWODDHI-IBGZPJMESA-N 1 0 356.510 3.736 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501837569 942085692 /nfs/dbraw/zinc/08/56/92/942085692.db2.gz RKNPNJYHFMSKJZ-KRWDZBQOSA-N 1 0 351.494 3.936 20 30 FHEDRO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000377970745 942108322 /nfs/dbraw/zinc/10/83/22/942108322.db2.gz SRQCRYTXYJUBHQ-VBQJREDUSA-N 1 0 368.506 3.589 20 30 FHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2C)c1C#N ZINC000501931469 942118620 /nfs/dbraw/zinc/11/86/20/942118620.db2.gz URCATVRGWNHJGU-YJYMSZOUSA-N 1 0 368.456 3.822 20 30 FHEDRO CC[NH2+]Cc1cccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000415908359 942126074 /nfs/dbraw/zinc/12/60/74/942126074.db2.gz DEFPYUKCODJPEV-UHFFFAOYSA-N 1 0 360.461 3.989 20 30 FHEDRO Cc1nc2ccccc2n1C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000280243997 942136699 /nfs/dbraw/zinc/13/66/99/942136699.db2.gz NQMYJIXGOXTEED-QFIPXVFZSA-N 1 0 360.461 3.587 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C#N)s1)c1ccccc1 ZINC000420778701 942192515 /nfs/dbraw/zinc/19/25/15/942192515.db2.gz ZWGBFAIBRBKLPP-GOSISDBHSA-N 1 0 356.495 3.502 20 30 FHEDRO N#Cc1cc(Oc2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)ccn1 ZINC000290465685 942199081 /nfs/dbraw/zinc/19/90/81/942199081.db2.gz FYEZMYGHEHAEFK-UHFFFAOYSA-N 1 0 362.433 3.558 20 30 FHEDRO CO[C@]1(C)CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000280577243 942206184 /nfs/dbraw/zinc/20/61/84/942206184.db2.gz SLFHNBWKESPFLM-OAQYLSRUSA-N 1 0 353.466 3.629 20 30 FHEDRO N#Cc1ccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000312030125 942216996 /nfs/dbraw/zinc/21/69/96/942216996.db2.gz XLRRHTMTJGEYIL-GOSISDBHSA-N 1 0 350.422 3.791 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000280699488 942231671 /nfs/dbraw/zinc/23/16/71/942231671.db2.gz SGGVZVIXTLILNX-DENIHFKCSA-N 1 0 368.477 3.740 20 30 FHEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)COCc1ccccc1 ZINC000513703337 942244548 /nfs/dbraw/zinc/24/45/48/942244548.db2.gz UCPXRQBYZLIZCN-IBGZPJMESA-N 1 0 363.505 3.970 20 30 FHEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(CN2CCOCC2)c1 ZINC000420904178 942246250 /nfs/dbraw/zinc/24/62/50/942246250.db2.gz OYPNJKALWYXQLZ-UHFFFAOYSA-N 1 0 361.489 3.579 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000419412720 942258561 /nfs/dbraw/zinc/25/85/61/942258561.db2.gz JKNVJCVUMRJJGM-SFTDATJTSA-N 1 0 362.477 3.538 20 30 FHEDRO C[C@@H](C[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501080886 942299774 /nfs/dbraw/zinc/29/97/74/942299774.db2.gz ZDDCJFKYVYUTQN-HNNXBMFYSA-N 1 0 374.410 3.898 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421061097 942322941 /nfs/dbraw/zinc/32/29/41/942322941.db2.gz LIYGRPDABOJZDL-QQFBHYJXSA-N 1 0 360.527 3.933 20 30 FHEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NCc2cccc3ccccc32)=[NH+]C)C1 ZINC000261834589 942328407 /nfs/dbraw/zinc/32/84/07/942328407.db2.gz VQPXIIUIQCOIST-ANSQWYIGSA-N 1 0 371.550 3.585 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000419616399 942328553 /nfs/dbraw/zinc/32/85/53/942328553.db2.gz SMEIMVNTRFMDCW-FQEVSTJZSA-N 1 0 354.498 3.547 20 30 FHEDRO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419648865 942342434 /nfs/dbraw/zinc/34/24/34/942342434.db2.gz SHZXTBMSTAFNKQ-OAQYLSRUSA-N 1 0 368.525 3.699 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000416102300 942348000 /nfs/dbraw/zinc/34/80/00/942348000.db2.gz ODLCSKHROOXZCT-FGZHOGPDSA-N 1 0 359.473 3.716 20 30 FHEDRO N#Cc1ccccc1OCC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000103493010 942351489 /nfs/dbraw/zinc/35/14/89/942351489.db2.gz UXRASRGFWRTPMT-UHFFFAOYSA-N 1 0 374.444 3.867 20 30 FHEDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000421120021 942356400 /nfs/dbraw/zinc/35/64/00/942356400.db2.gz XUYAMRPBXSLCTQ-UHFFFAOYSA-N 1 0 358.486 3.730 20 30 FHEDRO CC(=O)Nc1cc(Br)ccc1C[NH2+]CC1CCC(C#N)CC1 ZINC000894245616 942356775 /nfs/dbraw/zinc/35/67/75/942356775.db2.gz CTHIEHWSXZMVFY-UHFFFAOYSA-N 1 0 364.287 3.827 20 30 FHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)CCc1ccc(C#N)cc1 ZINC000502360553 942379795 /nfs/dbraw/zinc/37/97/95/942379795.db2.gz NJYHMOUDOLDUSG-UHFFFAOYSA-N 1 0 363.505 3.514 20 30 FHEDRO CC(C)(C#N)c1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000425001064 942481283 /nfs/dbraw/zinc/48/12/83/942481283.db2.gz CUCBNYSRKWIGRW-RBBKRZOGSA-N 1 0 373.500 3.834 20 30 FHEDRO CC(=O)c1ccc(NC(=O)CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502505281 942482830 /nfs/dbraw/zinc/48/28/30/942482830.db2.gz NHEHPVQPGZHHDS-UHFFFAOYSA-N 1 0 373.456 3.879 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3cccc(F)c3C2)cc1Cl ZINC000502493221 942488568 /nfs/dbraw/zinc/48/85/68/942488568.db2.gz CVCKBSNSFKKCCD-UHFFFAOYSA-N 1 0 357.816 3.738 20 30 FHEDRO N#CC[C@@H](CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000425013525 942500160 /nfs/dbraw/zinc/50/01/60/942500160.db2.gz RAEGKVGBZRQNEW-RJGXRXQPSA-N 1 0 373.500 3.807 20 30 FHEDRO N#Cc1ccccc1OCC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000501501933 942512815 /nfs/dbraw/zinc/51/28/15/942512815.db2.gz LYELCQXKSRZQFV-INIZCTEOSA-N 1 0 373.250 3.813 20 30 FHEDRO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)c1cccc(C#N)c1 ZINC000425050181 942521747 /nfs/dbraw/zinc/52/17/47/942521747.db2.gz YGQRBBFHBMMLCB-CYBMUJFWSA-N 1 0 368.506 3.914 20 30 FHEDRO CC[C@H]1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](CC)O1 ZINC000421382801 942536139 /nfs/dbraw/zinc/53/61/39/942536139.db2.gz CHQODFGDITZEOW-PMACEKPBSA-N 1 0 352.482 3.853 20 30 FHEDRO N#Cc1cccc(OCC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000502559368 942540627 /nfs/dbraw/zinc/54/06/27/942540627.db2.gz MOCHCCHMRJMHGP-FQEVSTJZSA-N 1 0 356.853 3.582 20 30 FHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 ZINC000513826653 942555475 /nfs/dbraw/zinc/55/54/75/942555475.db2.gz ZFTDJKZJZDXRKA-QHCPKHFHSA-N 1 0 361.489 3.709 20 30 FHEDRO N#Cc1cnc2c(Br)cccc2c1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420280352 942602756 /nfs/dbraw/zinc/60/27/56/942602756.db2.gz LCCUICQJUYWSEW-AAEUAGOBSA-N 1 0 359.271 3.798 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(OCC#N)cc1 ZINC000181754927 942608297 /nfs/dbraw/zinc/60/82/97/942608297.db2.gz GKLYPHYSSXAEOJ-LIRRHRJNSA-N 1 0 359.420 3.821 20 30 FHEDRO N#Cc1ccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000501760775 942663441 /nfs/dbraw/zinc/66/34/41/942663441.db2.gz XSTIXEPUPNVRGL-UHFFFAOYSA-N 1 0 368.868 3.782 20 30 FHEDRO C=C[C@H](CC(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1)c1ccccc1 ZINC000416331780 942671634 /nfs/dbraw/zinc/67/16/34/942671634.db2.gz DLIDNSMMAVFJPV-QGZVFWFLSA-N 1 0 368.477 3.934 20 30 FHEDRO C=CCOc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000501824838 942693045 /nfs/dbraw/zinc/69/30/45/942693045.db2.gz IEZRRPDLLOJKLS-HKUYNNGSSA-N 1 0 371.525 3.704 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434489929 942708169 /nfs/dbraw/zinc/70/81/69/942708169.db2.gz ATRMQLWZAWKMQG-UHFFFAOYSA-N 1 0 351.425 3.848 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434496855 942708388 /nfs/dbraw/zinc/70/83/88/942708388.db2.gz KVDAJFNCOAZDDD-UHFFFAOYSA-N 1 0 351.425 3.848 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCCOc2ccccc21)C(C)C ZINC000514075950 942721399 /nfs/dbraw/zinc/72/13/99/942721399.db2.gz OUFGLDLHLUVQNU-WOJBJXKFSA-N 1 0 371.525 3.898 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434497590 942723480 /nfs/dbraw/zinc/72/34/80/942723480.db2.gz OFRDAKKOTZDEBY-UHFFFAOYSA-N 1 0 354.425 3.906 20 30 FHEDRO N#Cc1ccc(N2CCC([NH2+]CCc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000514104484 942748452 /nfs/dbraw/zinc/74/84/52/942748452.db2.gz KGRFDFWLFLMMLL-UHFFFAOYSA-N 1 0 371.488 3.545 20 30 FHEDRO C=CCCCCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001269807497 942753641 /nfs/dbraw/zinc/75/36/41/942753641.db2.gz DJNRHOBGHQVBFR-UHFFFAOYSA-N 1 0 358.530 3.751 20 30 FHEDRO C=CCN(C(=O)N[C@@H](C)c1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363823406 942762478 /nfs/dbraw/zinc/76/24/78/942762478.db2.gz NXBXJNNEUFLNLV-ICSRJNTNSA-N 1 0 364.493 3.615 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000421715253 942767193 /nfs/dbraw/zinc/76/71/93/942767193.db2.gz XOWCVXYLOXKIII-LJQANCHMSA-N 1 0 363.461 3.825 20 30 FHEDRO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)C12CCCCC2 ZINC000502827367 942781618 /nfs/dbraw/zinc/78/16/18/942781618.db2.gz NCPPXJABAMXUAE-CVEARBPZSA-N 1 0 361.511 3.666 20 30 FHEDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)N2CCCC2)o1 ZINC000378449447 942782821 /nfs/dbraw/zinc/78/28/21/942782821.db2.gz GEYOUSCOVZLMPR-UEDWAMCQSA-N 1 0 357.498 3.554 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1cccs1 ZINC000416402353 942786978 /nfs/dbraw/zinc/78/69/78/942786978.db2.gz WSMCFJYBCCLDLC-MSOLQXFVSA-N 1 0 368.506 3.599 20 30 FHEDRO C=CCOc1ccccc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025465100 942789264 /nfs/dbraw/zinc/78/92/64/942789264.db2.gz GIANRCCLNHJSMO-UHFFFAOYSA-N 1 0 364.489 3.818 20 30 FHEDRO CCOC(=O)CC1([NH2+]Cc2ccc(C#N)cc2Br)CCCC1 ZINC000434618522 942805646 /nfs/dbraw/zinc/80/56/46/942805646.db2.gz XDHMEZVWDDBFNG-UHFFFAOYSA-N 1 0 365.271 3.676 20 30 FHEDRO CCCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001269831533 942838716 /nfs/dbraw/zinc/83/87/16/942838716.db2.gz BXLLGURDLUYUJZ-PMACEKPBSA-N 1 0 351.579 3.754 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2sccc2C#N)CC[C@@H]1C(F)(F)F ZINC000190185779 942849990 /nfs/dbraw/zinc/84/99/90/942849990.db2.gz OGDQLQWUODOTHP-LBPRGKRZSA-N 1 0 359.417 3.859 20 30 FHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434671981 942857165 /nfs/dbraw/zinc/85/71/65/942857165.db2.gz KZFNHRHJPQUXJU-WUJZJPHMSA-N 1 0 351.560 3.523 20 30 FHEDRO N#Cc1c(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)cn2ccccc12 ZINC000434685507 942865172 /nfs/dbraw/zinc/86/51/72/942865172.db2.gz ORVAMSGNMMHUMI-UHFFFAOYSA-N 1 0 359.477 3.723 20 30 FHEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000509980111 942891224 /nfs/dbraw/zinc/89/12/24/942891224.db2.gz XNCVPBATYFAMTK-LJQANCHMSA-N 1 0 351.450 3.647 20 30 FHEDRO CCc1cccc(OCC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000514338527 942938880 /nfs/dbraw/zinc/93/88/80/942938880.db2.gz KAWMVFHLAQNJLF-UHFFFAOYSA-N 1 0 363.505 3.707 20 30 FHEDRO CC[NH+](CC)CCS[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000434793259 942971038 /nfs/dbraw/zinc/97/10/38/942971038.db2.gz KRURXLZJLLBZMU-OAHLLOKOSA-N 1 0 351.491 3.536 20 30 FHEDRO C#CCCOc1ccc(C[NH2+]CC2(N3CCSCC3)CCCC2)cc1 ZINC000236684589 942990273 /nfs/dbraw/zinc/99/02/73/942990273.db2.gz OBEWAXCPQDZVGQ-UHFFFAOYSA-N 1 0 358.551 3.540 20 30 FHEDRO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)C1=O ZINC000434849885 943005864 /nfs/dbraw/zinc/00/58/64/943005864.db2.gz HGZQYTHLQVUHOB-HKUYNNGSSA-N 1 0 365.502 3.995 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2C)cc1 ZINC000505583155 943081829 /nfs/dbraw/zinc/08/18/29/943081829.db2.gz ZLFUFZOGJSYEAX-YLJYHZDGSA-N 1 0 357.498 3.842 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000435017322 943099407 /nfs/dbraw/zinc/09/94/07/943099407.db2.gz UPVKEPHTDRLVND-UHFFFAOYSA-N 1 0 373.500 3.618 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)c1 ZINC000435037260 943104403 /nfs/dbraw/zinc/10/44/03/943104403.db2.gz XNSCZRRYYKJPCL-GOSISDBHSA-N 1 0 365.502 3.605 20 30 FHEDRO N#Cc1c(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cn2ccccc12 ZINC000503366800 943142209 /nfs/dbraw/zinc/14/22/09/943142209.db2.gz KICGMGOQFNZSKQ-KRWDZBQOSA-N 1 0 359.477 3.723 20 30 FHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)CC1 ZINC000272375836 943145587 /nfs/dbraw/zinc/14/55/87/943145587.db2.gz FORRJERDPXLCBI-UHFFFAOYSA-N 1 0 368.525 3.754 20 30 FHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272566853 943178343 /nfs/dbraw/zinc/17/83/43/943178343.db2.gz RLZVWLAMGBAHIR-OAHLLOKOSA-N 1 0 360.527 3.934 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000435127742 943182135 /nfs/dbraw/zinc/18/21/35/943182135.db2.gz ABVFCYMHCKBFDE-NRFANRHFSA-N 1 0 357.461 3.676 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000435127743 943182360 /nfs/dbraw/zinc/18/23/60/943182360.db2.gz ABVFCYMHCKBFDE-OAQYLSRUSA-N 1 0 357.461 3.676 20 30 FHEDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503469099 943203997 /nfs/dbraw/zinc/20/39/97/943203997.db2.gz YMMFVUNESSZRKZ-SGIREYDYSA-N 1 0 363.552 3.699 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272710872 943206737 /nfs/dbraw/zinc/20/67/37/943206737.db2.gz KNISULMMKATADG-CABCVRRESA-N 1 0 358.511 3.710 20 30 FHEDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1 ZINC000272878701 943237043 /nfs/dbraw/zinc/23/70/43/943237043.db2.gz VAXOLEZAXHGWAH-HXUWFJFHSA-N 1 0 352.434 3.762 20 30 FHEDRO N#C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000505637981 943272512 /nfs/dbraw/zinc/27/25/12/943272512.db2.gz RLXLHRWFJMGUQY-FXAWDEMLSA-N 1 0 367.880 3.933 20 30 FHEDRO N#C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000505637994 943272724 /nfs/dbraw/zinc/27/27/24/943272724.db2.gz RLXLHRWFJMGUQY-PXNSSMCTSA-N 1 0 367.880 3.933 20 30 FHEDRO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000365859919 943296753 /nfs/dbraw/zinc/29/67/53/943296753.db2.gz YPBVOSAUECJVPX-CQSZACIVSA-N 1 0 368.506 3.591 20 30 FHEDRO C=CCC[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000435281044 943300078 /nfs/dbraw/zinc/30/00/78/943300078.db2.gz PMVKJWPNEBRCCZ-VXKWHMMOSA-N 1 0 364.489 3.711 20 30 FHEDRO C[C@@](CO)([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000511606572 943367337 /nfs/dbraw/zinc/36/73/37/943367337.db2.gz WHYRCLNSYMBYPC-SFHVURJKSA-N 1 0 359.267 3.512 20 30 FHEDRO C[C@]1(CNC(=O)CCc2ccc(C#N)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000162348351 943370384 /nfs/dbraw/zinc/37/03/84/943370384.db2.gz DSTNFBLUCWYDDN-HSZRJFAPSA-N 1 0 361.489 3.662 20 30 FHEDRO C=CCOc1ccc(CN(Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435424072 943404131 /nfs/dbraw/zinc/40/41/31/943404131.db2.gz XTRRFSFHPCKUED-SFHVURJKSA-N 1 0 357.523 3.628 20 30 FHEDRO C=CC[C@H](C)NC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435538556 943474781 /nfs/dbraw/zinc/47/47/81/943474781.db2.gz WVFBAUALHCOENL-LPHOPBHVSA-N 1 0 367.497 3.725 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(CCC#N)CC2)[C@@H]1c1cccs1 ZINC000584717696 943480338 /nfs/dbraw/zinc/48/03/38/943480338.db2.gz JTKMKGRXOPCRCY-IEBWSBKVSA-N 1 0 374.554 3.856 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(CCC#N)CC2)[C@H]1c1cccs1 ZINC000584717697 943480703 /nfs/dbraw/zinc/48/07/03/943480703.db2.gz JTKMKGRXOPCRCY-MJGOQNOKSA-N 1 0 374.554 3.856 20 30 FHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000515141834 943521771 /nfs/dbraw/zinc/52/17/71/943521771.db2.gz ZQGKDCVIEQEUDX-SFTDATJTSA-N 1 0 360.461 3.636 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000417374654 943544381 /nfs/dbraw/zinc/54/43/81/943544381.db2.gz YINOJFYADVRISE-GOSISDBHSA-N 1 0 351.416 3.942 20 30 FHEDRO CCCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000435686004 943545837 /nfs/dbraw/zinc/54/58/37/943545837.db2.gz QDSVKPCWINKIGC-LJQANCHMSA-N 1 0 365.477 3.977 20 30 FHEDRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417383175 943561039 /nfs/dbraw/zinc/56/10/39/943561039.db2.gz JXPBGMQSENYVAD-BTYIYWSLSA-N 1 0 363.461 3.951 20 30 FHEDRO C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[N@@H+](C2CC2)C1 ZINC000515207273 943568636 /nfs/dbraw/zinc/56/86/36/943568636.db2.gz HJLYGQWIRNTNJY-QGZVFWFLSA-N 1 0 374.488 3.858 20 30 FHEDRO C=C(C(=O)N1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1)C(F)(F)F ZINC001270007707 943582844 /nfs/dbraw/zinc/58/28/44/943582844.db2.gz ABZQGYOYQIEYHS-BETUJISGSA-N 1 0 372.353 3.618 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000435735037 943587498 /nfs/dbraw/zinc/58/74/98/943587498.db2.gz ISSAZNGFRDQSPB-SJKOYZFVSA-N 1 0 367.280 3.645 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000435735728 943588860 /nfs/dbraw/zinc/58/88/60/943588860.db2.gz PNSKWAOMLGMHJN-SJCJKPOMSA-N 1 0 367.280 3.645 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000435740505 943591251 /nfs/dbraw/zinc/59/12/51/943591251.db2.gz KPZFBTXDUGVHPD-WMLDXEAASA-N 1 0 359.388 3.707 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000435740506 943591329 /nfs/dbraw/zinc/59/13/29/943591329.db2.gz KPZFBTXDUGVHPD-YOEHRIQHSA-N 1 0 359.388 3.707 20 30 FHEDRO C=CCc1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc(OC)c1O ZINC000435773016 943602386 /nfs/dbraw/zinc/60/23/86/943602386.db2.gz SLBDVKLSCDKTAF-UHFFFAOYSA-N 1 0 366.505 3.837 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000504521567 943653899 /nfs/dbraw/zinc/65/38/99/943653899.db2.gz MWQBZDCFVNLFKY-SFHVURJKSA-N 1 0 356.510 3.539 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000424069779 943707949 /nfs/dbraw/zinc/70/79/49/943707949.db2.gz QQGAHAMFDSIRAD-VQIMIIECSA-N 1 0 366.465 3.691 20 30 FHEDRO CC[N@H+](Cc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1)C1CC1 ZINC000504620126 943709271 /nfs/dbraw/zinc/70/92/71/943709271.db2.gz HTRUCCXZDMHLFA-UHFFFAOYSA-N 1 0 351.450 3.820 20 30 FHEDRO Cc1nc(NC(=O)[C@H]([NH3+])CCCC#N)sc1Cc1ccccc1Cl ZINC000424090213 943726307 /nfs/dbraw/zinc/72/63/07/943726307.db2.gz KGZIXLPUEQNWRZ-CQSZACIVSA-N 1 0 362.886 3.655 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000424109504 943734993 /nfs/dbraw/zinc/73/49/93/943734993.db2.gz BDDUDYVTODTIBJ-MOPGFXCFSA-N 1 0 355.869 3.761 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000424113934 943738480 /nfs/dbraw/zinc/73/84/80/943738480.db2.gz PDJFLTIXOBBMDC-HZPDHXFCSA-N 1 0 353.388 3.780 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000424119752 943742326 /nfs/dbraw/zinc/74/23/26/943742326.db2.gz DBCBRJIVUAOWMS-FFZOFVMBSA-N 1 0 354.425 3.686 20 30 FHEDRO Cc1cccc(C)c1OC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424125094 943744141 /nfs/dbraw/zinc/74/41/41/943744141.db2.gz QFWJHLMKKCNXQA-PMACEKPBSA-N 1 0 365.477 3.561 20 30 FHEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458850993 943764018 /nfs/dbraw/zinc/76/40/18/943764018.db2.gz UVAINVAJIZOYKD-RLLQIKCJSA-N 1 0 354.498 3.690 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000424168900 943772332 /nfs/dbraw/zinc/77/23/32/943772332.db2.gz GYFIOCYFEFQDJI-ICSRJNTNSA-N 1 0 353.510 3.910 20 30 FHEDRO N#Cc1c(C(F)F)cccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000516877193 943787454 /nfs/dbraw/zinc/78/74/54/943787454.db2.gz BOQUDRQJXCYFFL-UHFFFAOYSA-N 1 0 363.452 3.825 20 30 FHEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000515374002 943818161 /nfs/dbraw/zinc/81/81/61/943818161.db2.gz OUNVRNZPWLBCGW-UHFFFAOYSA-N 1 0 357.546 3.652 20 30 FHEDRO C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCC(C)(C#N)CC4)nc(N)c23)C1 ZINC000506052571 943818460 /nfs/dbraw/zinc/81/84/60/943818460.db2.gz VPQZOSYVBDOMPK-CYBMUJFWSA-N 1 0 369.538 3.566 20 30 FHEDRO CC1(C#N)CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000506052707 943835444 /nfs/dbraw/zinc/83/54/44/943835444.db2.gz XRNNMNGFNHFXDG-FQEVSTJZSA-N 1 0 350.462 3.719 20 30 FHEDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424331709 943847620 /nfs/dbraw/zinc/84/76/20/943847620.db2.gz SGYZXAZZTTYEFZ-SGMGOOAPSA-N 1 0 355.360 3.584 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000504868404 943857509 /nfs/dbraw/zinc/85/75/09/943857509.db2.gz FJCAAQJPRWSPSM-LJQANCHMSA-N 1 0 363.505 3.831 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000516958358 943863875 /nfs/dbraw/zinc/86/38/75/943863875.db2.gz VRQUJEXIEJKNTO-PKOBYXMFSA-N 1 0 366.440 3.521 20 30 FHEDRO N#Cc1ccc(OCc2ccc(-c3nc(C4([NH3+])CCCCC4)no3)o2)cc1 ZINC000424340389 943871203 /nfs/dbraw/zinc/87/12/03/943871203.db2.gz GTMOTALSPKNMQL-UHFFFAOYSA-N 1 0 364.405 3.898 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000504883110 943882827 /nfs/dbraw/zinc/88/28/27/943882827.db2.gz SEZMZBOOBVVQOQ-GOSISDBHSA-N 1 0 368.868 3.998 20 30 FHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516999332 943914304 /nfs/dbraw/zinc/91/43/04/943914304.db2.gz NLHAKHNTKUNGIJ-QGZVFWFLSA-N 1 0 366.440 3.683 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000515509985 943942076 /nfs/dbraw/zinc/94/20/76/943942076.db2.gz AGRCUTNOUAFDLE-NRFANRHFSA-N 1 0 369.509 3.987 20 30 FHEDRO CCN(C(=O)c1sccc1C#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500007014 943942342 /nfs/dbraw/zinc/94/23/42/943942342.db2.gz OTBNUJSQBDZSRB-CRAIPNDOSA-N 1 0 353.491 3.917 20 30 FHEDRO C=CCN1CC[C@H]([N@H+](C)Cc2cccc3c(Br)cccc23)C1=O ZINC000500024215 943965195 /nfs/dbraw/zinc/96/51/95/943965195.db2.gz LACYEMWMCHEETL-SFHVURJKSA-N 1 0 373.294 3.821 20 30 FHEDRO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc3c(Br)cccc23)C1=O ZINC000500024214 943965625 /nfs/dbraw/zinc/96/56/25/943965625.db2.gz LACYEMWMCHEETL-GOSISDBHSA-N 1 0 373.294 3.821 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000425450767 943966222 /nfs/dbraw/zinc/96/62/22/943966222.db2.gz LGKPYEZXOVRZCQ-OXJNMPFZSA-N 1 0 356.514 3.771 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000437609575 943966845 /nfs/dbraw/zinc/96/68/45/943966845.db2.gz XGAGQHCGVLKXHF-AVRDEDQJSA-N 1 0 358.526 3.764 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000437615811 943972195 /nfs/dbraw/zinc/97/21/95/943972195.db2.gz JOMGUPMIRVOODL-XMSQKQJNSA-N 1 0 358.526 3.906 20 30 FHEDRO C=CCC[C@@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000417945496 943989802 /nfs/dbraw/zinc/98/98/02/943989802.db2.gz XTHXHXMJOYCRJA-HZPDHXFCSA-N 1 0 355.404 3.749 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000505035365 943992434 /nfs/dbraw/zinc/99/24/34/943992434.db2.gz LWDHVKOCFWYSAZ-UHFFFAOYSA-N 1 0 371.525 3.914 20 30 FHEDRO C[NH+](C)CCN(Cc1c[nH]nc1-c1cccs1)Cc1ccc(C#N)cc1 ZINC000515557662 944009378 /nfs/dbraw/zinc/00/93/78/944009378.db2.gz YVSKPRRNOGLQPM-UHFFFAOYSA-N 1 0 365.506 3.574 20 30 FHEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000424633424 944023053 /nfs/dbraw/zinc/02/30/53/944023053.db2.gz WJXRDAGUTLKQIP-MRXNPFEDSA-N 1 0 361.505 3.747 20 30 FHEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000417983737 944038336 /nfs/dbraw/zinc/03/83/36/944038336.db2.gz CLWXTUKIDHVLQS-CKJXQJPGSA-N 1 0 362.477 3.665 20 30 FHEDRO C[C@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418001312 944049540 /nfs/dbraw/zinc/04/95/40/944049540.db2.gz WWWOTBOVLFLYDS-IKGGRYGDSA-N 1 0 362.477 3.678 20 30 FHEDRO N#Cc1ccc(CN2CCC[N@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000517153893 944051141 /nfs/dbraw/zinc/05/11/41/944051141.db2.gz KDGKMLVAZIVKFK-UHFFFAOYSA-N 1 0 356.470 3.554 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417993771 944051789 /nfs/dbraw/zinc/05/17/89/944051789.db2.gz OIVBYPGCBHKGCF-WJPUGNRLSA-N 1 0 362.477 3.713 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000418031874 944079275 /nfs/dbraw/zinc/07/92/75/944079275.db2.gz OYENBZQHTBGRLD-PWIZWCRZSA-N 1 0 371.431 3.718 20 30 FHEDRO CC(C)(C)[C@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000517199544 944097121 /nfs/dbraw/zinc/09/71/21/944097121.db2.gz ZEBACPSZQRVURP-APWZRJJASA-N 1 0 363.452 3.588 20 30 FHEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000517207511 944106753 /nfs/dbraw/zinc/10/67/53/944106753.db2.gz NZBFDVFPOPYEHI-HNNXBMFYSA-N 1 0 367.415 3.561 20 30 FHEDRO C=CCC1(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)CCOCC1 ZINC000424754142 944115563 /nfs/dbraw/zinc/11/55/63/944115563.db2.gz AYBYUJPHXQVRPW-UHFFFAOYSA-N 1 0 371.525 3.528 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437830991 944141593 /nfs/dbraw/zinc/14/15/93/944141593.db2.gz AKZMGJVPUMHQSS-MJGOQNOKSA-N 1 0 354.519 3.968 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437830989 944141797 /nfs/dbraw/zinc/14/17/97/944141797.db2.gz AKZMGJVPUMHQSS-HKUYNNGSSA-N 1 0 354.519 3.968 20 30 FHEDRO C=CCOc1ccccc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000506146127 944165910 /nfs/dbraw/zinc/16/59/10/944165910.db2.gz BHPLEROSCHOCQE-UHFFFAOYSA-N 1 0 352.478 3.720 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000436295586 944180349 /nfs/dbraw/zinc/18/03/49/944180349.db2.gz RTRATBRETAYIOM-CLCXKQKWSA-N 1 0 350.890 3.936 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000436299615 944183385 /nfs/dbraw/zinc/18/33/85/944183385.db2.gz KHMSCVWGYYGQHV-SZMVWBNQSA-N 1 0 350.300 3.877 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000436314799 944193528 /nfs/dbraw/zinc/19/35/28/944193528.db2.gz ZGICOBQVVQILMV-QINHECLXSA-N 1 0 364.917 3.648 20 30 FHEDRO CCN(CC)c1ccc(/C=[NH+]/CCc2ccc(NC(C)=O)cc2)c(O)c1 ZINC000728786130 944194881 /nfs/dbraw/zinc/19/48/81/944194881.db2.gz VYMLWGPPMMSFRK-PXLXIMEGSA-N 1 0 353.466 3.858 20 30 FHEDRO C=CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1F ZINC000515775586 944199233 /nfs/dbraw/zinc/19/92/33/944199233.db2.gz NOTZQCBAKKMBIZ-UHFFFAOYSA-N 1 0 366.436 3.890 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000436383290 944252202 /nfs/dbraw/zinc/25/22/02/944252202.db2.gz CXHVOBFHTYSACD-KRWDZBQOSA-N 1 0 365.477 3.849 20 30 FHEDRO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000506464279 944262323 /nfs/dbraw/zinc/26/23/23/944262323.db2.gz BAWUHGSLYXQHKV-UHFFFAOYSA-N 1 0 364.489 3.908 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000425529710 944262979 /nfs/dbraw/zinc/26/29/79/944262979.db2.gz CPCOJABRBLBROF-BEFAXECRSA-N 1 0 358.869 3.782 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000418210914 944270175 /nfs/dbraw/zinc/27/01/75/944270175.db2.gz HQLOWDRKWANQGC-OAQYLSRUSA-N 1 0 364.493 3.982 20 30 FHEDRO Cc1csc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C#N ZINC000515864925 944298427 /nfs/dbraw/zinc/29/84/27/944298427.db2.gz RBMXYPYOCKQRAP-OAHLLOKOSA-N 1 0 358.467 3.870 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000438073008 944315181 /nfs/dbraw/zinc/31/51/81/944315181.db2.gz NJDLCLRVZJPUGD-VQTJNVASSA-N 1 0 365.562 3.511 20 30 FHEDRO N#C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000505821837 944321703 /nfs/dbraw/zinc/32/17/03/944321703.db2.gz RHNZMHVDHPKABM-ICSRJNTNSA-N 1 0 367.880 3.933 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505823255 944323526 /nfs/dbraw/zinc/32/35/26/944323526.db2.gz CPESECFMDYZEPQ-CTNGQTDRSA-N 1 0 367.489 3.556 20 30 FHEDRO C[C@@H](NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000518388609 944345211 /nfs/dbraw/zinc/34/52/11/944345211.db2.gz HQIWLTKAXVUOBG-QGZVFWFLSA-N 1 0 373.500 3.893 20 30 FHEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000894636680 944345887 /nfs/dbraw/zinc/34/58/87/944345887.db2.gz ZYNXOBCUYZRZKM-QGZVFWFLSA-N 1 0 361.283 3.712 20 30 FHEDRO C=CCC1(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CCOCC1 ZINC000425565875 944351796 /nfs/dbraw/zinc/35/17/96/944351796.db2.gz WSBHHQFYOSRARO-HXUWFJFHSA-N 1 0 358.526 3.632 20 30 FHEDRO Cc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000439123226 944359215 /nfs/dbraw/zinc/35/92/15/944359215.db2.gz ZPZFZRWHIFYUJA-UHFFFAOYSA-N 1 0 355.869 3.724 20 30 FHEDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCOc1ccc(C#N)cc1)CC3 ZINC000123442757 944362938 /nfs/dbraw/zinc/36/29/38/944362938.db2.gz CNPUBCYAYMWOLF-MRXNPFEDSA-N 1 0 361.445 3.574 20 30 FHEDRO C=CCOc1cccc(C[NH2+]CCCN2CCN(c3ccccc3)CC2)c1 ZINC000517539016 944369117 /nfs/dbraw/zinc/36/91/17/944369117.db2.gz XEYPEYVFOOOPEO-UHFFFAOYSA-N 1 0 365.521 3.553 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1snc(C)c1C#N)c1ccsc1 ZINC000436488954 944371805 /nfs/dbraw/zinc/37/18/05/944371805.db2.gz NRQALWNEBIDGRL-AWEZNQCLSA-N 1 0 363.512 3.589 20 30 FHEDRO CNC(=S)C(C(=O)c1cccc(Cl)c1)[n+]1ccc2c(c1)CCCC2 ZINC000123679343 944395447 /nfs/dbraw/zinc/39/54/47/944395447.db2.gz MJQXQSFNVXYPJW-UHFFFAOYSA-O 1 0 359.902 3.665 20 30 FHEDRO CC(C)[C@H](CNC(=O)C1(C#N)CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000518490733 944423190 /nfs/dbraw/zinc/42/31/90/944423190.db2.gz SARVCLRDFISYKJ-FQEVSTJZSA-N 1 0 353.510 3.660 20 30 FHEDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2Cl)cc1OCCCC#N ZINC000123805311 944432886 /nfs/dbraw/zinc/43/28/86/944432886.db2.gz HNNQXZNVMHVZIV-GOSISDBHSA-N 1 0 374.868 3.854 20 30 FHEDRO C[NH+](C)CC1(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000426323034 944457391 /nfs/dbraw/zinc/45/73/91/944457391.db2.gz LOSATTRNBKULIM-INIZCTEOSA-N 1 0 367.415 3.898 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(C#N)cs2)cc1 ZINC000438272874 944457625 /nfs/dbraw/zinc/45/76/25/944457625.db2.gz QWBQXXKJUJTHNA-OAHLLOKOSA-N 1 0 353.491 3.924 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cnc2ccccc2c1)C(C)C ZINC000439274691 944495504 /nfs/dbraw/zinc/49/55/04/944495504.db2.gz OBRZUTQZXYEGRC-OAQYLSRUSA-N 1 0 351.494 3.592 20 30 FHEDRO COc1ccc(C#N)cc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000438327146 944512340 /nfs/dbraw/zinc/51/23/40/944512340.db2.gz XAEFBIMCWBUQRO-NRFANRHFSA-N 1 0 350.462 3.829 20 30 FHEDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000425606199 944520170 /nfs/dbraw/zinc/52/01/70/944520170.db2.gz MGVMYWSYOVYCQS-LEWJYISDSA-N 1 0 361.489 3.984 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C1CCC(C2CC2)CC1 ZINC001125941096 944569564 /nfs/dbraw/zinc/56/95/64/944569564.db2.gz FNBBXNGNJDGBAT-UHFFFAOYSA-N 1 0 353.510 3.665 20 30 FHEDRO C=C(C)COc1cc(C[NH2+]CCc2cnc(C3CC3)nc2)ccc1OC ZINC000535190978 944591892 /nfs/dbraw/zinc/59/18/92/944591892.db2.gz NGLDOXPACYTOMV-UHFFFAOYSA-N 1 0 353.466 3.650 20 30 FHEDRO COc1ccc(Oc2cc(CNCc3nc(C#N)cs3)ccn2)cc1 ZINC000517786197 944628538 /nfs/dbraw/zinc/62/85/38/944628538.db2.gz NRCCYEUFNFECBR-UHFFFAOYSA-N 1 0 352.419 3.500 20 30 FHEDRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458855500 944646887 /nfs/dbraw/zinc/64/68/87/944646887.db2.gz YGVZBUXIYOUXKI-FQEVSTJZSA-N 1 0 356.514 3.939 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000566711047 944660880 /nfs/dbraw/zinc/66/08/80/944660880.db2.gz DILOINHRTHWBOO-UHFFFAOYSA-N 1 0 358.829 3.688 20 30 FHEDRO C#CCC[NH+]1CCC(NC(=O)CC(C)(C)CC(=O)c2ccc(C)cc2)CC1 ZINC000759872488 944663837 /nfs/dbraw/zinc/66/38/37/944663837.db2.gz KTKUCOXCWNQKMP-UHFFFAOYSA-N 1 0 368.521 3.588 20 30 FHEDRO Cc1cccc2c1CN(CC(=O)[C@H](C#N)c1nc3ccccc3s1)CC2 ZINC000759878754 944705212 /nfs/dbraw/zinc/70/52/12/944705212.db2.gz HFGJWKCYJKMPKN-INIZCTEOSA-N 1 0 361.470 3.839 20 30 FHEDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000518776589 944734650 /nfs/dbraw/zinc/73/46/50/944734650.db2.gz HSLYWAZUVWBSIC-UHFFFAOYSA-N 1 0 365.477 3.532 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000473590538 944749297 /nfs/dbraw/zinc/74/92/97/944749297.db2.gz PYBBSCWFWGXXJQ-JOCHJYFZSA-N 1 0 358.526 3.908 20 30 FHEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC(C)C)[n+]1cccc(C)c1 ZINC000194838118 944749943 /nfs/dbraw/zinc/74/99/43/944749943.db2.gz KKZBJAQOSGVDDG-UHFFFAOYSA-O 1 0 357.499 3.536 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCc2sc(C)nc21)C(C)C ZINC000426423635 944750480 /nfs/dbraw/zinc/75/04/80/944750480.db2.gz BHDXADZLCOIWBG-IAGOWNOFSA-N 1 0 361.555 3.686 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl ZINC000425647035 944773892 /nfs/dbraw/zinc/77/38/92/944773892.db2.gz RYJHXZMVKRJZCS-HDMKZQKVSA-N 1 0 362.905 3.714 20 30 FHEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000796650015 944783876 /nfs/dbraw/zinc/78/38/76/944783876.db2.gz JNEXFWIWFYVUFK-JTDSTZFVSA-N 1 0 373.497 3.713 20 30 FHEDRO N#Cc1c(NC(=O)CC[NH+]2C[C@H]3CCCC[C@@H]3C2)sc2c1CCCC2 ZINC000426772429 944790752 /nfs/dbraw/zinc/79/07/52/944790752.db2.gz DKIZNCYLTLJMFE-HUUCEWRRSA-N 1 0 357.523 3.949 20 30 FHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438565338 944801108 /nfs/dbraw/zinc/80/11/08/944801108.db2.gz BFMVLJZYWBUDHP-SFHVURJKSA-N 1 0 364.411 3.580 20 30 FHEDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415002825 944804507 /nfs/dbraw/zinc/80/45/07/944804507.db2.gz DZILSNNCFFPCAF-GOSISDBHSA-N 1 0 352.438 3.845 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000517911366 944811518 /nfs/dbraw/zinc/81/15/18/944811518.db2.gz MVOYGROWLSXTOZ-UNMCSNQZSA-N 1 0 358.526 3.634 20 30 FHEDRO COc1ccccc1/C=C\C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518819517 944815262 /nfs/dbraw/zinc/81/52/62/944815262.db2.gz LRVXJHUSWUYTPU-BQHGXPCASA-N 1 0 365.452 3.978 20 30 FHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425665601 944872602 /nfs/dbraw/zinc/87/26/02/944872602.db2.gz VYMPECWNIUNOFT-KRWDZBQOSA-N 1 0 364.493 3.913 20 30 FHEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438640275 944875571 /nfs/dbraw/zinc/87/55/71/944875571.db2.gz GDZVSXPKGHMDMI-CHWSQXEVSA-N 1 0 368.403 3.819 20 30 FHEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000506654896 944898112 /nfs/dbraw/zinc/89/81/12/944898112.db2.gz QSHABPAHODIRMW-KDOFPFPSSA-N 1 0 367.449 3.643 20 30 FHEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc1OC ZINC000439701267 944905730 /nfs/dbraw/zinc/90/57/30/944905730.db2.gz JHHBUMNODRUJKT-GOSISDBHSA-N 1 0 360.498 3.500 20 30 FHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc(O)c3Cl)CC2)cc1 ZINC000507055374 944906957 /nfs/dbraw/zinc/90/69/57/944906957.db2.gz UKVKXRBQSWIWQT-UHFFFAOYSA-N 1 0 355.869 3.625 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000516476721 944912359 /nfs/dbraw/zinc/91/23/59/944912359.db2.gz XJPZMRPHZPZEKV-IBGZPJMESA-N 1 0 354.425 3.792 20 30 FHEDRO CC[C@@](C)(C#N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000511699976 944943103 /nfs/dbraw/zinc/94/31/03/944943103.db2.gz ITMHOYQGKYTMFG-QFIPXVFZSA-N 1 0 355.526 3.777 20 30 FHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518045928 944970901 /nfs/dbraw/zinc/97/09/01/944970901.db2.gz FLKWDGIWRTYIRW-SFHVURJKSA-N 1 0 359.473 3.972 20 30 FHEDRO N#Cc1ccccc1N1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000506339469 944989956 /nfs/dbraw/zinc/98/99/56/944989956.db2.gz KDRHKVVMWJJQQE-UHFFFAOYSA-N 1 0 354.457 3.942 20 30 FHEDRO CC(C)n1ccc(C[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)n1 ZINC000437077080 944993351 /nfs/dbraw/zinc/99/33/51/944993351.db2.gz WRFUAAXCTJDESY-VQSBYGRUSA-N 1 0 367.497 3.641 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccc(F)cc1 ZINC000507171447 945020170 /nfs/dbraw/zinc/02/01/70/945020170.db2.gz VIRPCNPLXYZMLD-LJQANCHMSA-N 1 0 371.431 3.533 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)CC1 ZINC000432080305 945020412 /nfs/dbraw/zinc/02/04/12/945020412.db2.gz NXYIYMAGAALBDT-FQEVSTJZSA-N 1 0 353.510 3.964 20 30 FHEDRO C#Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)nc1 ZINC000728803841 945024375 /nfs/dbraw/zinc/02/43/75/945024375.db2.gz OSAMPZAPOMXCOA-LJQANCHMSA-N 1 0 355.869 3.529 20 30 FHEDRO C=CCn1c(SCC[NH+]2CCC(C)CC2)nnc1-c1ccc(OC)cc1 ZINC000426510460 945027448 /nfs/dbraw/zinc/02/74/48/945027448.db2.gz OJJGPXQDFNGEFG-UHFFFAOYSA-N 1 0 372.538 3.964 20 30 FHEDRO CC(C)CCn1ncc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1C(C)C ZINC000330172659 945387889 /nfs/dbraw/zinc/38/78/89/945387889.db2.gz GPLSXNKMRWWKKJ-DLBZAZTESA-N 1 0 361.534 3.767 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000330206281 945400912 /nfs/dbraw/zinc/40/09/12/945400912.db2.gz DDLCWRYSJATBFL-ZWKOTPCHSA-N 1 0 351.535 3.636 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000330211386 945404994 /nfs/dbraw/zinc/40/49/94/945404994.db2.gz JEVZEGXDYIKUBF-BLLLJJGKSA-N 1 0 361.442 3.517 20 30 FHEDRO O=C(CC[N@@H+]1CCc2cc[nH]c(=O)c2C1)N[C@H]1CCCc2ccccc21 ZINC000330220521 945408984 /nfs/dbraw/zinc/40/89/84/945408984.db2.gz QKBNNOWULPGRKI-IBGZPJMESA-N 1 0 351.450 3.570 20 30 FHEDRO O=C(Nc1cc(F)c(OC(F)F)cc1F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000330236147 945417104 /nfs/dbraw/zinc/41/71/04/945417104.db2.gz ZBDVXEVPFOZTTL-YPMHNXCESA-N 1 0 361.339 3.519 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000440318865 945418468 /nfs/dbraw/zinc/41/84/68/945418468.db2.gz VRTJYUPPXZTZIL-QNGMFEMESA-N 1 0 363.590 3.632 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000440318864 945418622 /nfs/dbraw/zinc/41/86/22/945418622.db2.gz VRTJYUPPXZTZIL-MWXLCCTBSA-N 1 0 363.590 3.632 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000330248696 945422836 /nfs/dbraw/zinc/42/28/36/945422836.db2.gz ZKMCOFWXUTVFQW-GOEBONIOSA-N 1 0 358.486 3.682 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1c1nccn1CC ZINC000330250135 945425076 /nfs/dbraw/zinc/42/50/76/945425076.db2.gz HBFGTPHWJXAACI-MSOLQXFVSA-N 1 0 361.534 3.609 20 30 FHEDRO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330263853 945433079 /nfs/dbraw/zinc/43/30/79/945433079.db2.gz XCGVTLNWIHSXLP-WBVHZDCISA-N 1 0 353.466 3.960 20 30 FHEDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)c(Br)c1 ZINC000330273604 945438772 /nfs/dbraw/zinc/43/87/72/945438772.db2.gz ZLIINNDGHKPWDX-UVBJJODRSA-N 1 0 367.287 3.891 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000660801158 945514657 /nfs/dbraw/zinc/51/46/57/945514657.db2.gz ONOUKNBROOKBAW-PBASOCQRSA-N 1 0 353.510 3.790 20 30 FHEDRO C=CCN(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C)COC ZINC000664930633 945571457 /nfs/dbraw/zinc/57/14/57/945571457.db2.gz KBPPYTVLIGSEBL-TZIWHRDSSA-N 1 0 373.541 3.521 20 30 FHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(C)cccc3C2)c(OC)c1 ZINC000729480179 945576117 /nfs/dbraw/zinc/57/61/17/945576117.db2.gz NWPHOFGPXWFLQI-FQEVSTJZSA-N 1 0 367.489 3.530 20 30 FHEDRO N#CC1(CCC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000281296596 945590867 /nfs/dbraw/zinc/59/08/67/945590867.db2.gz JQCGGCVZBOMXLE-MSOLQXFVSA-N 1 0 366.864 3.999 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000330334328 945602681 /nfs/dbraw/zinc/60/26/81/945602681.db2.gz QMGCWVDPNXHOGM-UXHICEINSA-N 1 0 363.461 3.615 20 30 FHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc2ccccc2n1 ZINC000519637921 945610918 /nfs/dbraw/zinc/61/09/18/945610918.db2.gz KSYPSUYXGOEGBA-NRFANRHFSA-N 1 0 362.473 3.535 20 30 FHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000125116025 945641687 /nfs/dbraw/zinc/64/16/87/945641687.db2.gz IHNWBQUQCNMBQH-INIZCTEOSA-N 1 0 368.481 3.635 20 30 FHEDRO Cc1cc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)ccc1C#N ZINC000443983858 945683045 /nfs/dbraw/zinc/68/30/45/945683045.db2.gz GFACSVVRNYLJMG-KRWDZBQOSA-N 1 0 370.294 3.998 20 30 FHEDRO Cc1cc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)ccc1C#N ZINC000443993531 945688100 /nfs/dbraw/zinc/68/81/00/945688100.db2.gz JWAHSAMCCUBZGC-MRXNPFEDSA-N 1 0 373.294 3.570 20 30 FHEDRO COCCNC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1ccc(C)cc1 ZINC000027308683 945693522 /nfs/dbraw/zinc/69/35/22/945693522.db2.gz VIXHWCCPXAHXBO-UHFFFAOYSA-O 1 0 371.526 3.581 20 30 FHEDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000519735095 945698227 /nfs/dbraw/zinc/69/82/27/945698227.db2.gz OLFGMLGDBOFGFX-GOTSBHOMSA-N 1 0 361.489 3.517 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000440611880 945704950 /nfs/dbraw/zinc/70/49/50/945704950.db2.gz LTVTXUCFNMHXBI-HKUYNNGSSA-N 1 0 360.816 3.979 20 30 FHEDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)ccc1OC(C)C ZINC000127068779 945709488 /nfs/dbraw/zinc/70/94/88/945709488.db2.gz ZNFNRUHQYONQOT-HNAYVOBHSA-N 1 0 354.450 3.738 20 30 FHEDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)ccc1OC(C)C ZINC000127068581 945709892 /nfs/dbraw/zinc/70/98/92/945709892.db2.gz ZNFNRUHQYONQOT-DNVCBOLYSA-N 1 0 354.450 3.738 20 30 FHEDRO COc1ccccc1C(=O)C(C(=S)NC1CCCCC1)[n+]1ccccc1 ZINC000027329122 945711558 /nfs/dbraw/zinc/71/15/58/945711558.db2.gz UGDXZYJKGRMIJW-UHFFFAOYSA-O 1 0 369.510 3.844 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000661100649 945729868 /nfs/dbraw/zinc/72/98/68/945729868.db2.gz FZPQCVHPGWMEGT-HPZPOOBXSA-N 1 0 371.447 3.684 20 30 FHEDRO C=CCC1(S(=O)(=O)N2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)CC1 ZINC001279836246 945743786 /nfs/dbraw/zinc/74/37/86/945743786.db2.gz KRMLUXOXORUQPK-UHFFFAOYSA-N 1 0 366.571 3.546 20 30 FHEDRO COc1cc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)ccc1C#N ZINC000281578117 945768627 /nfs/dbraw/zinc/76/86/27/945768627.db2.gz DBSWCMXEZJGBRK-UHFFFAOYSA-N 1 0 360.461 3.718 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000044802700 945823826 /nfs/dbraw/zinc/82/38/26/945823826.db2.gz JTEVCLOJTZKNRA-STQMWFEESA-N 1 0 359.376 3.837 20 30 FHEDRO N#CC1CCC(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000281807885 945859149 /nfs/dbraw/zinc/85/91/49/945859149.db2.gz KWZWTEXZHRSOLU-UHFFFAOYSA-N 1 0 374.554 3.589 20 30 FHEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1C#N ZINC000281848463 945879618 /nfs/dbraw/zinc/87/96/18/945879618.db2.gz YYRDHPAQQYYOKO-AWEZNQCLSA-N 1 0 364.449 3.702 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000519923861 945901657 /nfs/dbraw/zinc/90/16/57/945901657.db2.gz SIOCXCBIXCVZAA-RTBURBONSA-N 1 0 370.541 3.846 20 30 FHEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)C[C@H]1COc2ccccc2O1 ZINC000281932278 945948482 /nfs/dbraw/zinc/94/84/82/945948482.db2.gz ICQYXNXKAOURJB-SFHVURJKSA-N 1 0 358.482 3.639 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000444160850 946004557 /nfs/dbraw/zinc/00/45/57/946004557.db2.gz XRZMBBAAFZQSOP-IBGZPJMESA-N 1 0 351.475 3.677 20 30 FHEDRO CN(C(=O)NCC1CCC(C#N)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000281979397 946025552 /nfs/dbraw/zinc/02/55/52/946025552.db2.gz OOMCKYHKULLGKZ-UHFFFAOYSA-N 1 0 368.525 3.622 20 30 FHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482422 946029841 /nfs/dbraw/zinc/02/98/41/946029841.db2.gz AYMQMIMTLJQZAS-GOSISDBHSA-N 1 0 373.497 3.658 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2[nH]c(-c3ccc(Cl)cc3)nc2CC)CC1 ZINC000444183218 946040444 /nfs/dbraw/zinc/04/04/44/946040444.db2.gz NMWGBQLQLYRFBC-UHFFFAOYSA-N 1 0 372.900 3.673 20 30 FHEDRO CC(C)c1c(NC(=O)[C@@H]([NH3+])CCCCC#N)cnn1-c1ccc(Cl)cc1 ZINC000594443740 946060633 /nfs/dbraw/zinc/06/06/33/946060633.db2.gz TWGXUVJEEGSABC-INIZCTEOSA-N 1 0 373.888 3.999 20 30 FHEDRO CCC(CC)[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC000045533353 946065202 /nfs/dbraw/zinc/06/52/02/946065202.db2.gz VXFJPESJTINHMI-HXUWFJFHSA-N 1 0 356.514 3.600 20 30 FHEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662824050 946065447 /nfs/dbraw/zinc/06/54/47/946065447.db2.gz VIVNDGXYMPOZPM-RKDXNWHRSA-N 1 0 374.300 3.832 20 30 FHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1)C(=S)NCCCSC ZINC000027481007 946078152 /nfs/dbraw/zinc/07/81/52/946078152.db2.gz VCLAALQWHFNWSA-UHFFFAOYSA-O 1 0 373.567 3.818 20 30 FHEDRO COc1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1C#N ZINC000827984117 946078650 /nfs/dbraw/zinc/07/86/50/946078650.db2.gz ATCAXFPABXJGGU-INIZCTEOSA-N 1 0 363.461 3.522 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1CCC(C#N)CC1 ZINC000441002322 946102035 /nfs/dbraw/zinc/10/20/35/946102035.db2.gz VECQTFSHIOOPRX-WBYGSUFKSA-N 1 0 368.525 3.621 20 30 FHEDRO C[C@@H]1C[NH+](CC2CCN(CC#Cc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000441147514 946272165 /nfs/dbraw/zinc/27/21/65/946272165.db2.gz QMLKNXMFZYQYDD-QZTJIDSGSA-N 1 0 360.929 3.513 20 30 FHEDRO [NH2+]=C(NCc1ccccc1OC(F)(F)F)N[C@H]1CCOc2ccccc21 ZINC000262510301 946302742 /nfs/dbraw/zinc/30/27/42/946302742.db2.gz MAHXVZDUFSTHHS-AWEZNQCLSA-N 1 0 365.355 3.513 20 30 FHEDRO CCCc1c(NC(=O)[C@H]2CCC[N@H+]2CCC)cnn1-c1cccc(C#N)c1 ZINC000440084209 946326648 /nfs/dbraw/zinc/32/66/48/946326648.db2.gz VTGBXGFHDQDABT-HXUWFJFHSA-N 1 0 365.481 3.509 20 30 FHEDRO CN(CCC#N)C(=O)CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511892932 946331785 /nfs/dbraw/zinc/33/17/85/946331785.db2.gz WWIXHRYWTSTSGD-SJORKVTESA-N 1 0 367.415 3.693 20 30 FHEDRO C#Cc1ccc(C(=O)Nc2ccc3c(ccn3CC[NH+](CC)CC)c2)nc1 ZINC000728824333 946335554 /nfs/dbraw/zinc/33/55/54/946335554.db2.gz SNKVUSMRMBLLPO-UHFFFAOYSA-N 1 0 360.461 3.612 20 30 FHEDRO COCc1cccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000438497129 946363743 /nfs/dbraw/zinc/36/37/43/946363743.db2.gz VTEQKXRBMPIFLQ-UHFFFAOYSA-N 1 0 351.450 3.579 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000652150945 946385269 /nfs/dbraw/zinc/38/52/69/946385269.db2.gz DGABYWFQDKVSEO-GOSISDBHSA-N 1 0 362.514 3.794 20 30 FHEDRO [NH2+]=C(NC[C@H]1CCOc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000262513803 946414360 /nfs/dbraw/zinc/41/43/60/946414360.db2.gz FJLVRWZJGWXAPP-GFCCVEGCSA-N 1 0 365.355 3.878 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000278847084 946423228 /nfs/dbraw/zinc/42/32/28/946423228.db2.gz DRWRQKKBWSRVMT-IBGZPJMESA-N 1 0 371.525 3.670 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000475496747 946435421 /nfs/dbraw/zinc/43/54/21/946435421.db2.gz PFZWPSQIGHLLGZ-OAQYLSRUSA-N 1 0 350.462 3.778 20 30 FHEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)Cc1csc(-c2cccs2)n1 ZINC000121307582 946443450 /nfs/dbraw/zinc/44/34/50/946443450.db2.gz JSLPXUSHPSZRLY-AWEZNQCLSA-N 1 0 362.520 3.691 20 30 FHEDRO COc1cc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)ccc1C#N ZINC000441353392 946470851 /nfs/dbraw/zinc/47/08/51/946470851.db2.gz VTXCNYUTCOLVLK-UHFFFAOYSA-N 1 0 364.367 3.840 20 30 FHEDRO COc1ccc(C[NH+]2CCC(O)(C3CCC3)CC2)cc1OCCCC#N ZINC000897033590 946474421 /nfs/dbraw/zinc/47/44/21/946474421.db2.gz DRVKGYSGRHMSKL-UHFFFAOYSA-N 1 0 358.482 3.505 20 30 FHEDRO C=CC1CCN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)CC1 ZINC000520392684 946536749 /nfs/dbraw/zinc/53/67/49/946536749.db2.gz MKCNRKSFPBYNHX-HXUWFJFHSA-N 1 0 359.514 3.686 20 30 FHEDRO N#CC[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC001126130156 946552071 /nfs/dbraw/zinc/55/20/71/946552071.db2.gz UGSQMUIZEIRGBX-IBGZPJMESA-N 1 0 371.550 3.552 20 30 FHEDRO C=CCCC1(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)CC1 ZINC000475178177 946582534 /nfs/dbraw/zinc/58/25/34/946582534.db2.gz XNTHFNZCEQBNON-UHFFFAOYSA-N 1 0 353.510 3.904 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[NH+]2CCCC2)o1 ZINC000475524807 946587886 /nfs/dbraw/zinc/58/78/86/946587886.db2.gz IFEACLNSUMFGHR-LJQANCHMSA-N 1 0 365.477 3.956 20 30 FHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1OC ZINC000628300786 946592567 /nfs/dbraw/zinc/59/25/67/946592567.db2.gz WTVIXTBDIMBOOV-HNNXBMFYSA-N 1 0 353.890 3.896 20 30 FHEDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905657 946594040 /nfs/dbraw/zinc/59/40/40/946594040.db2.gz HLQDJRCJQLEEBZ-SJORKVTESA-N 1 0 365.477 3.530 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)[NH+]2CCCC2)o1 ZINC000475527482 946600944 /nfs/dbraw/zinc/60/09/44/946600944.db2.gz NYVVSMQNWCSFTC-WOJBJXKFSA-N 1 0 365.477 3.929 20 30 FHEDRO Cc1noc(C)c1CCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000262522145 946603762 /nfs/dbraw/zinc/60/37/62/946603762.db2.gz IZFVQMVCQXCCEX-VIFPVBQESA-N 1 0 355.269 3.806 20 30 FHEDRO N#CCc1cccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000049732476 946621124 /nfs/dbraw/zinc/62/11/24/946621124.db2.gz QLHNFHHMLVGKLG-FQEVSTJZSA-N 1 0 367.880 3.973 20 30 FHEDRO C[C@@H]1C[C@@H](CCNC(=O)c2sccc2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000866929186 946635887 /nfs/dbraw/zinc/63/58/87/946635887.db2.gz BWDWJJHIVCHZBH-SJLPKXTDSA-N 1 0 367.518 3.845 20 30 FHEDRO COc1ccc(C[NH2+]CCc2ccc(F)c(F)c2)cc1OCCCC#N ZINC000190287564 946663537 /nfs/dbraw/zinc/66/35/37/946663537.db2.gz OWCKEOUVVLGKJB-UHFFFAOYSA-N 1 0 360.404 3.988 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000192839552 946707115 /nfs/dbraw/zinc/70/71/15/946707115.db2.gz QEKDSWHDLYPENX-KRWDZBQOSA-N 1 0 360.498 3.772 20 30 FHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3CF)CC2)c1 ZINC001168073957 946750911 /nfs/dbraw/zinc/75/09/11/946750911.db2.gz OCQRMBXCWXRPTG-UHFFFAOYSA-N 1 0 351.425 3.878 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000164543723 946758531 /nfs/dbraw/zinc/75/85/31/946758531.db2.gz KJVLIRSPBGSQOJ-OAHLLOKOSA-N 1 0 355.434 3.575 20 30 FHEDRO C=CCC1([NH2+]CC(=O)N[C@@H](C)c2ccc(OCC)c(OC)c2)CCCC1 ZINC000661862886 946780076 /nfs/dbraw/zinc/78/00/76/946780076.db2.gz IELZWSRQHLEDTB-INIZCTEOSA-N 1 0 360.498 3.750 20 30 FHEDRO Cc1nn(C)c(C)c1CCNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000304477652 946782406 /nfs/dbraw/zinc/78/24/06/946782406.db2.gz HFCXQPUDGSIYEP-UHFFFAOYSA-N 1 0 363.465 3.799 20 30 FHEDRO COc1cccc(NC(=[NH2+])NCc2ccnc(O[C@H](C)CC(C)C)c2)c1 ZINC000304752676 946792648 /nfs/dbraw/zinc/79/26/48/946792648.db2.gz KKYRPCGYHZZPRE-OAHLLOKOSA-N 1 0 356.470 3.830 20 30 FHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2cc3ccccc3[nH]2)c1 ZINC000305128628 946821226 /nfs/dbraw/zinc/82/12/26/946821226.db2.gz DLTZQHYZDOHXPE-UHFFFAOYSA-N 1 0 366.465 3.935 20 30 FHEDRO N#Cc1ccncc1C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000894987456 946824572 /nfs/dbraw/zinc/82/45/72/946824572.db2.gz RLKVVPKKZQMGIC-UHFFFAOYSA-N 1 0 374.366 3.820 20 30 FHEDRO Cc1ccc(OCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000305238963 946838303 /nfs/dbraw/zinc/83/83/03/946838303.db2.gz PJAHLINOCMNLLJ-UHFFFAOYSA-N 1 0 353.344 3.699 20 30 FHEDRO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CCOc2ccccc21 ZINC000262547332 946866010 /nfs/dbraw/zinc/86/60/10/946866010.db2.gz VZYFSJSDHNLQSI-AWEZNQCLSA-N 1 0 363.383 3.676 20 30 FHEDRO [NH2+]=C(NCCCNc1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305837869 946875801 /nfs/dbraw/zinc/87/58/01/946875801.db2.gz XQZIERNDEUTBSK-UHFFFAOYSA-N 1 0 370.350 3.953 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000895041052 946922760 /nfs/dbraw/zinc/92/27/60/946922760.db2.gz FOVOHXHVMDOKBQ-ICSRJNTNSA-N 1 0 356.514 3.795 20 30 FHEDRO Cc1cc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)ccc1C#N ZINC000475351008 946925116 /nfs/dbraw/zinc/92/51/16/946925116.db2.gz AXVZVYXTOOIRRA-UHFFFAOYSA-N 1 0 351.416 3.762 20 30 FHEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000113325441 946927944 /nfs/dbraw/zinc/92/79/44/946927944.db2.gz LMVNJGOWLRMZTI-UHFFFAOYSA-N 1 0 365.477 3.908 20 30 FHEDRO N#Cc1ccc(-c2noc(C(F)(F)C3CC[NH2+]CC3)n2)c2ccccc12 ZINC001211901859 946948024 /nfs/dbraw/zinc/94/80/24/946948024.db2.gz NSIVXYLXVGLDPU-UHFFFAOYSA-N 1 0 354.360 3.853 20 30 FHEDRO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328664648 946971622 /nfs/dbraw/zinc/97/16/22/946971622.db2.gz YPSKADQOPLCDAD-IRXDYDNUSA-N 1 0 371.481 3.880 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000609515798 946973769 /nfs/dbraw/zinc/97/37/69/946973769.db2.gz FPWVJVSSHURIJX-KDURUIRLSA-N 1 0 371.525 3.592 20 30 FHEDRO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000328672399 946974953 /nfs/dbraw/zinc/97/49/53/946974953.db2.gz OGRBBXWHJLJDJJ-LJHODMEESA-N 1 0 358.482 3.781 20 30 FHEDRO COc1c(Cl)cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000328674766 946976346 /nfs/dbraw/zinc/97/63/46/946976346.db2.gz KCNVTKOJNUTJKP-UONOGXRCSA-N 1 0 358.269 3.764 20 30 FHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328767519 947018098 /nfs/dbraw/zinc/01/80/98/947018098.db2.gz BJTJMUHMUXDZDO-GOSISDBHSA-N 1 0 365.562 3.884 20 30 FHEDRO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000444595126 947021081 /nfs/dbraw/zinc/02/10/81/947021081.db2.gz JGKVNKKONRVLTM-WGMWDUQUSA-N 1 0 368.525 3.600 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328813221 947033884 /nfs/dbraw/zinc/03/38/84/947033884.db2.gz BRFJTXHSUBVMLB-HYLMPXPHSA-N 1 0 359.514 3.787 20 30 FHEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000328826188 947041847 /nfs/dbraw/zinc/04/18/47/947041847.db2.gz QFMATXKGRDHHCZ-UBDQQSCGSA-N 1 0 374.481 3.655 20 30 FHEDRO O=C(NCCc1cccc2[nH]ccc21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000328779518 947043266 /nfs/dbraw/zinc/04/32/66/947043266.db2.gz GTDSMLOZUGKJAC-SFHVURJKSA-N 1 0 354.498 3.575 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000328791965 947048454 /nfs/dbraw/zinc/04/84/54/947048454.db2.gz RCECHGVASZDZLE-GDBMZVCRSA-N 1 0 363.889 3.666 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000328796497 947049560 /nfs/dbraw/zinc/04/95/60/947049560.db2.gz UUQQCUJCOFJZIN-ORAYPTAESA-N 1 0 358.442 3.638 20 30 FHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000444619199 947051710 /nfs/dbraw/zinc/05/17/10/947051710.db2.gz JBKWUNSDCNYVOP-PKTZIBPZSA-N 1 0 373.500 3.733 20 30 FHEDRO Cc1nc([C@H]2CCCOC2)sc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000328829340 947053798 /nfs/dbraw/zinc/05/37/98/947053798.db2.gz UDLQJFSLOXAYOO-HNNXBMFYSA-N 1 0 365.543 3.771 20 30 FHEDRO CCOC(=O)CC[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444621157 947054139 /nfs/dbraw/zinc/05/41/39/947054139.db2.gz QZMIINGFGHFKGQ-UHFFFAOYSA-N 1 0 350.462 3.771 20 30 FHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328846525 947063388 /nfs/dbraw/zinc/06/33/88/947063388.db2.gz QLXLTVPNRZBTQO-HIFRSBDPSA-N 1 0 373.522 3.833 20 30 FHEDRO C=CCN1CC[C@@H]([NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)C1=O ZINC000328857523 947068241 /nfs/dbraw/zinc/06/82/41/947068241.db2.gz YDRDBBOMJBMUIG-MSOLQXFVSA-N 1 0 373.884 3.524 20 30 FHEDRO O=C(CN1CCCCCCC1=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000328861345 947070123 /nfs/dbraw/zinc/07/01/23/947070123.db2.gz ARNVKJIBVUDFOL-IBGZPJMESA-N 1 0 357.498 3.573 20 30 FHEDRO Cc1cnn(CC[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000328867049 947073716 /nfs/dbraw/zinc/07/37/16/947073716.db2.gz CBOHEPIRWWNFPK-QGZVFWFLSA-N 1 0 370.501 3.572 20 30 FHEDRO CC[C@H](CNC(=O)Nc1cccc(C#N)c1C)[N@@H+]1CCc2ccccc2C1 ZINC000432282355 947074035 /nfs/dbraw/zinc/07/40/35/947074035.db2.gz BYHOZBGGNCHXGL-HXUWFJFHSA-N 1 0 362.477 3.825 20 30 FHEDRO Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000328873810 947077793 /nfs/dbraw/zinc/07/77/93/947077793.db2.gz RFZQMTQCMZSABU-UHFFFAOYSA-N 1 0 367.478 3.774 20 30 FHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000328879216 947079808 /nfs/dbraw/zinc/07/98/08/947079808.db2.gz JRXDRLBJCRPVAR-JKSUJKDBSA-N 1 0 365.543 3.915 20 30 FHEDRO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)c1 ZINC000328941302 947095110 /nfs/dbraw/zinc/09/51/10/947095110.db2.gz FGVKMVHYWOANGQ-MHYXUVESSA-N 1 0 360.498 3.532 20 30 FHEDRO Cc1cc(C)c(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000328908988 947103686 /nfs/dbraw/zinc/10/36/86/947103686.db2.gz MLYCCNXDMBXYLI-WBVHZDCISA-N 1 0 359.857 3.807 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC(=O)N1CCCCCC1 ZINC000328963912 947126545 /nfs/dbraw/zinc/12/65/45/947126545.db2.gz RLPAGOJEYUARFE-UYAOXDASSA-N 1 0 371.525 3.504 20 30 FHEDRO C[C@]1(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCc2ccccc2C1 ZINC000328970939 947128083 /nfs/dbraw/zinc/12/80/83/947128083.db2.gz UXTNOYONHPYEHZ-GIWBLDEGSA-N 1 0 370.537 3.906 20 30 FHEDRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cnc2ccccc12 ZINC000328972864 947128459 /nfs/dbraw/zinc/12/84/59/947128459.db2.gz VOOWROIYAPTTRH-NHCUHLMSSA-N 1 0 367.493 3.616 20 30 FHEDRO CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000328984427 947132458 /nfs/dbraw/zinc/13/24/58/947132458.db2.gz GDUIDLLHJLCRMH-DYESRHJHSA-N 1 0 371.525 3.776 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000444360868 947153172 /nfs/dbraw/zinc/15/31/72/947153172.db2.gz FUVFFYARZLMSRN-KRWDZBQOSA-N 1 0 352.482 3.548 20 30 FHEDRO CCOC(=O)c1cc(C)sc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000330405956 947168154 /nfs/dbraw/zinc/16/81/54/947168154.db2.gz QQSIZHWRZSROHO-TZMCWYRMSA-N 1 0 367.515 3.583 20 30 FHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)C1 ZINC000330411925 947169497 /nfs/dbraw/zinc/16/94/97/947169497.db2.gz LOPKXTJJWFSYGW-ZIAGYGMSSA-N 1 0 352.548 3.737 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000330462827 947177099 /nfs/dbraw/zinc/17/70/99/947177099.db2.gz TYNFCNKIULSVNH-DOMZBBRYSA-N 1 0 354.281 3.939 20 30 FHEDRO CC(C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000330514887 947187096 /nfs/dbraw/zinc/18/70/96/947187096.db2.gz DZLSUOKSIOLORG-UHFFFAOYSA-N 1 0 374.529 3.615 20 30 FHEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)cc1 ZINC000093770822 947212869 /nfs/dbraw/zinc/21/28/69/947212869.db2.gz QSUDMAUNJPUDSE-QGZVFWFLSA-N 1 0 356.432 3.958 20 30 FHEDRO CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000330581328 947219947 /nfs/dbraw/zinc/21/99/47/947219947.db2.gz JBTIBKHJNYZBAD-BBWFWOEESA-N 1 0 374.529 3.517 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440554919 947221928 /nfs/dbraw/zinc/22/19/28/947221928.db2.gz JDQOTKAWFLKTIW-NRJQMVOHSA-N 1 0 367.493 3.556 20 30 FHEDRO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(C#N)c1)C2 ZINC001271498064 947272102 /nfs/dbraw/zinc/27/21/02/947272102.db2.gz YJPSCSPKTLXAPR-QFUCXCTJSA-N 1 0 353.510 3.921 20 30 FHEDRO CC(C)Cn1ncc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1C(F)F ZINC000330903552 947307507 /nfs/dbraw/zinc/30/75/07/947307507.db2.gz YJTPWIOIVCZXMJ-CYBMUJFWSA-N 1 0 371.476 3.684 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC)c(OC(C)C)c2)C[C@@H]1C ZINC000330900491 947308045 /nfs/dbraw/zinc/30/80/45/947308045.db2.gz JVPRNWQNNGWMNU-RDJZCZTQSA-N 1 0 363.502 3.833 20 30 FHEDRO CC1CC[NH+](CCNC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC1 ZINC000330904331 947308203 /nfs/dbraw/zinc/30/82/03/947308203.db2.gz CVLJMJJBARPKEX-UHFFFAOYSA-N 1 0 363.477 3.847 20 30 FHEDRO COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000330967290 947318318 /nfs/dbraw/zinc/31/83/18/947318318.db2.gz DPAFCNASAPNFPS-GDBMZVCRSA-N 1 0 361.486 3.557 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000125971022 947343855 /nfs/dbraw/zinc/34/38/55/947343855.db2.gz LEVWUGQTWYEPIA-RTBURBONSA-N 1 0 355.526 3.923 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)CC1 ZINC000331115838 947349963 /nfs/dbraw/zinc/34/99/63/947349963.db2.gz DKWYTCFLJLHKLU-UHFFFAOYSA-N 1 0 374.529 3.676 20 30 FHEDRO CC(C)c1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)nn1C(C)(C)C ZINC000331121569 947351230 /nfs/dbraw/zinc/35/12/30/947351230.db2.gz XMZXZMLEDDVFCG-SFHVURJKSA-N 1 0 352.548 3.503 20 30 FHEDRO COCCC[NH+]1CCC(NC(=O)Nc2c(Cl)ccc(C)c2C)CC1 ZINC000331255253 947381725 /nfs/dbraw/zinc/38/17/25/947381725.db2.gz YDWXJNCBBWHOAA-UHFFFAOYSA-N 1 0 353.894 3.784 20 30 FHEDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000599574642 947385745 /nfs/dbraw/zinc/38/57/45/947385745.db2.gz XDBXPAPSIPPODR-DHLYWDTCSA-N 1 0 368.525 3.832 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000523618990 947449202 /nfs/dbraw/zinc/44/92/02/947449202.db2.gz FJBYROYZTAJEBJ-OAHLLOKOSA-N 1 0 358.486 3.589 20 30 FHEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652604075 947460807 /nfs/dbraw/zinc/46/08/07/947460807.db2.gz UMBNFSLQKPBSMU-CMKODMSKSA-N 1 0 357.498 3.555 20 30 FHEDRO CC[NH+](CC)[C@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440655648 947521121 /nfs/dbraw/zinc/52/11/21/947521121.db2.gz PQXICBPRZXBMTG-AWEZNQCLSA-N 1 0 373.298 3.789 20 30 FHEDRO CC(C)=CCC[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000458965927 947538121 /nfs/dbraw/zinc/53/81/21/947538121.db2.gz CITQBAQYNRIXHI-GOSISDBHSA-N 1 0 356.514 3.766 20 30 FHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c(C#N)cnc2c(Br)cccc21 ZINC000440674754 947593820 /nfs/dbraw/zinc/59/38/20/947593820.db2.gz UBAYARDPJPSURT-CYBMUJFWSA-N 1 0 373.298 3.647 20 30 FHEDRO N#CCc1ccc(COC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000785332686 947623564 /nfs/dbraw/zinc/62/35/64/947623564.db2.gz KPLOJUWQWOWBFT-HXUWFJFHSA-N 1 0 366.436 3.847 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000500440425 947704755 /nfs/dbraw/zinc/70/47/55/947704755.db2.gz KAUCZOGZDCHBAQ-RBUKOAKNSA-N 1 0 373.500 3.711 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298387 947721319 /nfs/dbraw/zinc/72/13/19/947721319.db2.gz VXKJGKOJAVARSF-GOSISDBHSA-N 1 0 373.566 3.615 20 30 FHEDRO C=CCc1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc(OC)c1O ZINC000189594916 947780215 /nfs/dbraw/zinc/78/02/15/947780215.db2.gz CADNMCJMGLLUNM-MAUKXSAKSA-N 1 0 373.415 3.703 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)CCC[NH2+]1 ZINC000662472629 947839246 /nfs/dbraw/zinc/83/92/46/947839246.db2.gz CAAIRQDMIQRNGH-NRFANRHFSA-N 1 0 373.472 3.981 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)CCC[NH2+]1 ZINC000662683801 947983230 /nfs/dbraw/zinc/98/32/30/947983230.db2.gz QPBUMIIGUOJBTA-VGSWGCGISA-N 1 0 365.477 3.536 20 30 FHEDRO CC(C)N1CC[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180750718 948113075 /nfs/dbraw/zinc/11/30/75/948113075.db2.gz YXCXHQGJMDKPNL-HOTGVXAUSA-N 1 0 351.853 3.669 20 30 FHEDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000585755439 948267395 /nfs/dbraw/zinc/26/73/95/948267395.db2.gz UHOGCJNJNRRZHJ-LAUBAEHRSA-N 1 0 364.489 3.998 20 30 FHEDRO N#CCN1CCC([NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000585764902 948275159 /nfs/dbraw/zinc/27/51/59/948275159.db2.gz ZDEHBEUUEMVFFN-QZTJIDSGSA-N 1 0 351.416 3.919 20 30 FHEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000585794472 948297623 /nfs/dbraw/zinc/29/76/23/948297623.db2.gz ZAVGEFJMSQFXGJ-NRFANRHFSA-N 1 0 366.484 3.918 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cscc2C#N)cc1 ZINC000432391974 948319575 /nfs/dbraw/zinc/31/95/75/948319575.db2.gz PCCXEZFAJRNGDK-HNNXBMFYSA-N 1 0 353.491 3.924 20 30 FHEDRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(C#N)ccn1 ZINC001167842917 948393644 /nfs/dbraw/zinc/39/36/44/948393644.db2.gz COQNDMFJWNHBTK-FOIQADDNSA-N 1 0 358.486 3.516 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 ZINC000544675222 948395395 /nfs/dbraw/zinc/39/53/95/948395395.db2.gz FCQBGGXFHBJPMN-UHFFFAOYSA-N 1 0 359.901 3.985 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C[C@@H]1C(F)(F)F ZINC000895090779 948414904 /nfs/dbraw/zinc/41/49/04/948414904.db2.gz PGGFBISDAHMANZ-ZACQAIPSSA-N 1 0 368.399 3.753 20 30 FHEDRO C=CCOc1ccc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000152371753 948425043 /nfs/dbraw/zinc/42/50/43/948425043.db2.gz JIQIILGIBFOSNL-UHFFFAOYSA-N 1 0 365.477 3.635 20 30 FHEDRO N#Cc1ccc(Br)c(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC001141655036 948634048 /nfs/dbraw/zinc/63/40/48/948634048.db2.gz SGKLLCJXNFISDL-UHFFFAOYSA-N 1 0 362.315 3.771 20 30 FHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000571583767 948638342 /nfs/dbraw/zinc/63/83/42/948638342.db2.gz NCNNWCPDXMYXSF-UHFFFAOYSA-N 1 0 362.458 3.596 20 30 FHEDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1OCCCC#N ZINC000168986241 948642150 /nfs/dbraw/zinc/64/21/50/948642150.db2.gz OCGQPHFXEGPOSI-YYWHXJBOSA-N 1 0 370.493 3.815 20 30 FHEDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1OCCCC#N ZINC000168986153 948642480 /nfs/dbraw/zinc/64/24/80/948642480.db2.gz OCGQPHFXEGPOSI-WMQCIHAUSA-N 1 0 370.493 3.815 20 30 FHEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(O)c2nc(C)ccc12 ZINC000512179051 948678128 /nfs/dbraw/zinc/67/81/28/948678128.db2.gz LCYNVKZUUNEZAN-UHFFFAOYSA-N 1 0 352.434 3.912 20 30 FHEDRO C=C(C)Cn1c(CCCC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549634493 948678180 /nfs/dbraw/zinc/67/81/80/948678180.db2.gz ONYRUSVFEXAJHU-MJGOQNOKSA-N 1 0 357.546 3.650 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@]23CCCO3)cc1Cl ZINC000544710518 948691443 /nfs/dbraw/zinc/69/14/43/948691443.db2.gz XWWLFOCLYQKBQD-QYZOEREBSA-N 1 0 351.874 3.721 20 30 FHEDRO CCO[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C12CCC2 ZINC000182104633 948700439 /nfs/dbraw/zinc/70/04/39/948700439.db2.gz DCTDDHMHGIYUMQ-GMNCBBECSA-N 1 0 355.482 3.581 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1 ZINC000523969568 948746107 /nfs/dbraw/zinc/74/61/07/948746107.db2.gz VNKDIHZLAQDERB-UTKZUKDTSA-N 1 0 357.498 3.609 20 30 FHEDRO Cc1cccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000459186578 948755243 /nfs/dbraw/zinc/75/52/43/948755243.db2.gz BXQJWUVFBLNDGV-SFHVURJKSA-N 1 0 364.493 3.701 20 30 FHEDRO C#Cc1ccc(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)cn1 ZINC000843694333 948805766 /nfs/dbraw/zinc/80/57/66/948805766.db2.gz ZOQUCXZKYLIVJT-UHFFFAOYSA-N 1 0 365.502 3.893 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)cc1 ZINC000359894147 223135720 /nfs/dbraw/zinc/13/57/20/223135720.db2.gz DJZDAAFXWXPRNN-UHFFFAOYSA-N 1 0 367.537 3.852 20 30 FHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC000051852254 221036496 /nfs/dbraw/zinc/03/64/96/221036496.db2.gz FTBBYKAMYPLSEG-UHFFFAOYSA-N 1 0 360.436 3.958 20 30 FHEDRO C=CCc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc(OC)c1OC ZINC000105426192 222369715 /nfs/dbraw/zinc/36/97/15/222369715.db2.gz HESIRDPVSLVHSP-MRXNPFEDSA-N 1 0 374.506 3.527 20 30 FHEDRO N#Cc1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000568131677 567911668 /nfs/dbraw/zinc/91/16/68/567911668.db2.gz NXZBQEMFGXXGNO-NRFANRHFSA-N 1 0 361.489 3.899 20 30 FHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N(CC#N)c2ccc(F)cc2C)CC1 ZINC000602385518 567974067 /nfs/dbraw/zinc/97/40/67/567974067.db2.gz BKQXMMDPQLHSKH-UHFFFAOYSA-N 1 0 366.440 3.611 20 30 FHEDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)CC3(C#N)CCOCC3)c2)CC1 ZINC000602494461 567986441 /nfs/dbraw/zinc/98/64/41/567986441.db2.gz YVWWKUFHWMBOQW-LJQANCHMSA-N 1 0 370.541 3.728 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000602518895 567986904 /nfs/dbraw/zinc/98/69/04/567986904.db2.gz SMSYIXLDHZJECP-HNNXBMFYSA-N 1 0 363.889 3.747 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000602519202 567986921 /nfs/dbraw/zinc/98/69/21/567986921.db2.gz VFEYTHPUAYMMSD-GFCCVEGCSA-N 1 0 355.251 3.777 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000602523908 567987575 /nfs/dbraw/zinc/98/75/75/567987575.db2.gz IBXCUQUNUDYDNN-GFCCVEGCSA-N 1 0 355.251 3.777 20 30 FHEDRO COc1ccc(Br)cc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602545207 567990064 /nfs/dbraw/zinc/99/00/64/567990064.db2.gz VEUVXLHLHWYZLR-CYBMUJFWSA-N 1 0 367.287 3.646 20 30 FHEDRO Cc1cc(Br)ccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602549929 567990579 /nfs/dbraw/zinc/99/05/79/567990579.db2.gz FVMGKZVJAVCXNB-AWEZNQCLSA-N 1 0 351.288 3.946 20 30 FHEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602551128 567990720 /nfs/dbraw/zinc/99/07/20/567990720.db2.gz MTLIFXGDHGLKLO-IEBWSBKVSA-N 1 0 359.489 3.792 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000602539949 567992833 /nfs/dbraw/zinc/99/28/33/567992833.db2.gz NNWOTADFCIDYEO-GOSISDBHSA-N 1 0 372.509 3.571 20 30 FHEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000602586122 567994396 /nfs/dbraw/zinc/99/43/96/567994396.db2.gz ZMEMTQVRPGKJEB-HOTGVXAUSA-N 1 0 371.378 3.919 20 30 FHEDRO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602574891 567996484 /nfs/dbraw/zinc/99/64/84/567996484.db2.gz GGUKMQIFHWKJGC-LRYGQEGESA-N 1 0 357.498 3.715 20 30 FHEDRO Cc1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c(OC[C@@H]2CCOC2)c1 ZINC000602575917 567996681 /nfs/dbraw/zinc/99/66/81/567996681.db2.gz KDLOGUPEJAZMJS-RBUKOAKNSA-N 1 0 372.509 3.599 20 30 FHEDRO CCN1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000602602533 567996877 /nfs/dbraw/zinc/99/68/77/567996877.db2.gz UOEMOICTKPSRQV-ZQJHNAHCSA-N 1 0 351.416 3.911 20 30 FHEDRO COc1ccccc1[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)OC(C)C ZINC000602620626 567998563 /nfs/dbraw/zinc/99/85/63/567998563.db2.gz YOPDAZVLNIBZGL-XLIONFOSSA-N 1 0 360.498 3.850 20 30 FHEDRO Cc1ccc(Br)cc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602624409 567998962 /nfs/dbraw/zinc/99/89/62/567998962.db2.gz ASVTYLNKEIUMBL-CQSZACIVSA-N 1 0 351.288 3.946 20 30 FHEDRO C[C@H]1C[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C)N1CC#N ZINC000602853404 568001706 /nfs/dbraw/zinc/00/17/06/568001706.db2.gz IHTITUNGAJQSQU-SFTDATJTSA-N 1 0 372.516 3.805 20 30 FHEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602889716 568006789 /nfs/dbraw/zinc/00/67/89/568006789.db2.gz ZWUXJKUIUAHZOP-AWEZNQCLSA-N 1 0 352.276 3.627 20 30 FHEDRO COC[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000602674148 568008622 /nfs/dbraw/zinc/00/86/22/568008622.db2.gz FMJULPCUDRHHAV-WBVHZDCISA-N 1 0 350.890 3.759 20 30 FHEDRO Cc1c(Br)cccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602703808 568017721 /nfs/dbraw/zinc/01/77/21/568017721.db2.gz BYMRNZCSQADXIS-ZDUSSCGKSA-N 1 0 351.288 3.946 20 30 FHEDRO N#CCC1(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CC1 ZINC000602801665 568036775 /nfs/dbraw/zinc/03/67/75/568036775.db2.gz LSEDOHCPBWQZFN-QGZVFWFLSA-N 1 0 363.465 3.535 20 30 FHEDRO CN1CC[C@@H]([NH2+]CCOc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000568449180 568039310 /nfs/dbraw/zinc/03/93/10/568039310.db2.gz ULTVVGFAEZSQTA-UXHICEINSA-N 1 0 355.869 3.625 20 30 FHEDRO CN(C)c1nccc2cc(NC(=O)N(CCC#N)Cc3ccco3)ccc21 ZINC000603021023 568052462 /nfs/dbraw/zinc/05/24/62/568052462.db2.gz IZDYEVVZJLNKHF-UHFFFAOYSA-N 1 0 363.421 3.842 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)CC(C)C)cc1OC ZINC000067224267 568071831 /nfs/dbraw/zinc/07/18/31/568071831.db2.gz FMQLKGXGEUQGDF-AWEZNQCLSA-N 1 0 372.303 3.519 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481656070 568081594 /nfs/dbraw/zinc/08/15/94/568081594.db2.gz JPMPUEIRXNAGKA-UHFFFAOYSA-N 1 0 374.847 3.946 20 30 FHEDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc2ccccc2n1CC#N ZINC000603407207 568097471 /nfs/dbraw/zinc/09/74/71/568097471.db2.gz QPFIOBHPVKQHJG-UHFFFAOYSA-N 1 0 352.482 3.503 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000603840769 568153957 /nfs/dbraw/zinc/15/39/57/568153957.db2.gz RRFPEUILWUSTBX-FGZHOGPDSA-N 1 0 364.489 3.590 20 30 FHEDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481913853 568182102 /nfs/dbraw/zinc/18/21/02/568182102.db2.gz HXTQVFOHAVLYQY-DENIHFKCSA-N 1 0 350.462 3.664 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000584678084 568192969 /nfs/dbraw/zinc/19/29/69/568192969.db2.gz BYWJJICVZQHJDF-FZNQNYSPSA-N 1 0 353.388 3.940 20 30 FHEDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)N(C)C)cc1OC ZINC000181918305 568196316 /nfs/dbraw/zinc/19/63/16/568196316.db2.gz OLTDZXNYBBZGRE-DNVCBOLYSA-N 1 0 353.466 3.529 20 30 FHEDRO CC(C)Oc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000541911350 568215369 /nfs/dbraw/zinc/21/53/69/568215369.db2.gz AAPHSVCSKQXBKG-UHFFFAOYSA-N 1 0 350.466 3.817 20 30 FHEDRO C=CCNC(=O)[C@@H](C)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000302801613 568237960 /nfs/dbraw/zinc/23/79/60/568237960.db2.gz AGOCKRDVIFRFSR-GOSISDBHSA-N 1 0 374.488 3.662 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1c[nH]c2ccc(F)cc12)C(C)C ZINC000604332296 568251263 /nfs/dbraw/zinc/25/12/63/568251263.db2.gz UNIZOWOQBAUTCK-HXUWFJFHSA-N 1 0 357.473 3.664 20 30 FHEDRO CN1CCO[C@@H]([C@@H]([NH2+]Cc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000563125389 568256727 /nfs/dbraw/zinc/25/67/27/568256727.db2.gz OKPKEGRFSIWDJF-RTWAWAEBSA-N 1 0 369.896 3.568 20 30 FHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000128758729 568259138 /nfs/dbraw/zinc/25/91/38/568259138.db2.gz WHHONWFOWYWFGQ-KRWDZBQOSA-N 1 0 363.461 3.869 20 30 FHEDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1(CC)CC ZINC000482136369 568287494 /nfs/dbraw/zinc/28/74/94/568287494.db2.gz PICHOCDUNAEJLH-JKSUJKDBSA-N 1 0 363.527 3.749 20 30 FHEDRO CC[N@H+](CCOc1ccccc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000541991891 568313362 /nfs/dbraw/zinc/31/33/62/568313362.db2.gz FROHAYVLKPSLCI-MRXNPFEDSA-N 1 0 352.434 3.807 20 30 FHEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000181981443 568321406 /nfs/dbraw/zinc/32/14/06/568321406.db2.gz IZIJXRVNYXCDEF-NRFANRHFSA-N 1 0 352.434 3.825 20 30 FHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1nccs1 ZINC000584707251 568357462 /nfs/dbraw/zinc/35/74/62/568357462.db2.gz BSZFRALKSNMMST-RYUDHWBXSA-N 1 0 374.535 3.880 20 30 FHEDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCOc1ccc(C#N)cc1OC)C2 ZINC000569395793 568400625 /nfs/dbraw/zinc/40/06/25/568400625.db2.gz KLZJUOCXUFRJOP-UHFFFAOYSA-N 1 0 364.445 3.502 20 30 FHEDRO N#Cc1cccc(CC[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000570038150 568442594 /nfs/dbraw/zinc/44/25/94/568442594.db2.gz WIGDNIBRSVFNQB-UHFFFAOYSA-N 1 0 361.367 3.738 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c(C(F)(F)F)c1 ZINC000569979353 568445650 /nfs/dbraw/zinc/44/56/50/568445650.db2.gz PPFVOKZHQPDQDI-LJQANCHMSA-N 1 0 360.379 3.891 20 30 FHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CC3Cc4ccccc4C3)CC2)c1 ZINC000569979110 568445675 /nfs/dbraw/zinc/44/56/75/568445675.db2.gz OBTFQBKGRNEBFG-UHFFFAOYSA-N 1 0 359.473 3.624 20 30 FHEDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000570123091 568452560 /nfs/dbraw/zinc/45/25/60/568452560.db2.gz GCIQUCGIBAKTFJ-LJQANCHMSA-N 1 0 362.521 3.637 20 30 FHEDRO CC[C@@H]([NH2+]C[C@@](C)(O)Cc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000570324098 568469675 /nfs/dbraw/zinc/46/96/75/568469675.db2.gz UWXQVCYFDWATIR-KNQAVFIVSA-N 1 0 368.477 3.610 20 30 FHEDRO N#Cc1cccc(OCC[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC000051857552 568520670 /nfs/dbraw/zinc/52/06/70/568520670.db2.gz LALYCTRHWQDVCG-UHFFFAOYSA-N 1 0 370.399 3.810 20 30 FHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1F ZINC000182028951 568559332 /nfs/dbraw/zinc/55/93/32/568559332.db2.gz KWISVPCGLBFSPY-RYUDHWBXSA-N 1 0 359.401 3.594 20 30 FHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3cc4ccccc4[nH]3)CC2)cc1 ZINC000182041059 568579317 /nfs/dbraw/zinc/57/93/17/568579317.db2.gz WPYABQWKQGDLMT-UHFFFAOYSA-N 1 0 358.489 3.836 20 30 FHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000050089932 568698996 /nfs/dbraw/zinc/69/89/96/568698996.db2.gz FUIBSENZRSAPRR-QAPCUYQASA-N 1 0 364.449 3.524 20 30 FHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC[C@H]4[NH2+]C[C@H]43)cnc2Cl)c1 ZINC001164447590 719003579 /nfs/dbraw/zinc/00/35/79/719003579.db2.gz CNFIPNHVHVIEJG-IAGOWNOFSA-N 1 0 374.822 3.759 20 30 FHEDRO N#Cc1cnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164627286 719058154 /nfs/dbraw/zinc/05/81/54/719058154.db2.gz QKYHWXQRQAGPLK-HKUYNNGSSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cc(Cl)cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626822 719073332 /nfs/dbraw/zinc/07/33/32/719073332.db2.gz PLQOKCDPUUALDY-LPHOPBHVSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cc2c(nc1N1CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC001164627885 719097465 /nfs/dbraw/zinc/09/74/65/719097465.db2.gz LALSEYLOCGKNGW-OFNKIYASSA-N 1 0 372.516 3.933 20 30 FHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164768174 721280276 /nfs/dbraw/zinc/28/02/76/721280276.db2.gz LMRFPEXFEMJUPR-UHFFFAOYSA-N 1 0 362.452 3.681 20 30 FHEDRO Cc1ccc(C#N)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792478 721491886 /nfs/dbraw/zinc/49/18/86/721491886.db2.gz JNGQAADAOIDJOQ-UHFFFAOYSA-N 1 0 361.493 3.538 20 30 FHEDRO C[NH+](C)CC1CCN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC1 ZINC001165042296 721942448 /nfs/dbraw/zinc/94/24/48/721942448.db2.gz MQXMBCVQMXLJEE-UHFFFAOYSA-N 1 0 363.239 3.583 20 30 FHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165049405 721971361 /nfs/dbraw/zinc/97/13/61/721971361.db2.gz SFFBFUNTVQHSCA-HNNXBMFYSA-N 1 0 368.859 3.996 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000178729262 936327044 /nfs/dbraw/zinc/32/70/44/936327044.db2.gz QILSIKKBIWFMTD-HXUWFJFHSA-N 1 0 368.525 3.600 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc2n[nH]cc2c1 ZINC000507241582 945067637 /nfs/dbraw/zinc/06/76/37/945067637.db2.gz ALJZTBWSQFVKHC-NEPJUHHUSA-N 1 0 367.840 3.766 20 30 FHEDRO C[C@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000091552973 937136970 /nfs/dbraw/zinc/13/69/70/937136970.db2.gz NVOLWHZLHJORQQ-INIZCTEOSA-N 1 0 362.477 3.634 20 30 FHEDRO C[C@@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000091552974 937137962 /nfs/dbraw/zinc/13/79/62/937137962.db2.gz NVOLWHZLHJORQQ-MRXNPFEDSA-N 1 0 362.477 3.634 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc2ncsc2c1 ZINC000547623737 927167369 /nfs/dbraw/zinc/16/73/69/927167369.db2.gz MERXBQZBMWLXPR-CQSZACIVSA-N 1 0 356.495 3.632 20 30 FHEDRO C[C@@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)Nc1ccccc1C#N ZINC000091552807 937141100 /nfs/dbraw/zinc/14/11/00/937141100.db2.gz CDHZQFWBRXVBPX-MRXNPFEDSA-N 1 0 362.477 3.634 20 30 FHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc(Br)c(C#N)cc1F ZINC000394364562 927190782 /nfs/dbraw/zinc/19/07/82/927190782.db2.gz MEKSNSKYEDFGLS-OLZOCXBDSA-N 1 0 352.251 3.523 20 30 FHEDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1OCCCC#N ZINC000579726061 927207983 /nfs/dbraw/zinc/20/79/83/927207983.db2.gz WJQQPNLFDFFTJB-PKOBYXMFSA-N 1 0 360.498 3.893 20 30 FHEDRO C[NH+](C)C1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000175273017 927240805 /nfs/dbraw/zinc/24/08/05/927240805.db2.gz KEYYCBIJGDDADB-UHFFFAOYSA-N 1 0 365.502 3.876 20 30 FHEDRO COCCN(CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccco1 ZINC000583137545 937158768 /nfs/dbraw/zinc/15/87/68/937158768.db2.gz OPMGOVMBOBUCKD-UHFFFAOYSA-N 1 0 353.340 3.678 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccccc1OC(F)F ZINC000579776546 927396477 /nfs/dbraw/zinc/39/64/77/927396477.db2.gz SSTMWBCEFWBXPV-UHFFFAOYSA-N 1 0 359.420 3.723 20 30 FHEDRO C[C@H](C#N)Oc1ccc(CNC(C)(C)c2cn(-c3ccccc3)nn2)cc1 ZINC000154024474 937166942 /nfs/dbraw/zinc/16/69/42/937166942.db2.gz NSZMIMYZDJAQDP-MRXNPFEDSA-N 1 0 361.449 3.583 20 30 FHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)C1 ZINC000430171510 927511226 /nfs/dbraw/zinc/51/12/26/927511226.db2.gz WFZXFVRVRHTQPE-QWQRMKEZSA-N 1 0 351.416 3.739 20 30 FHEDRO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(C)c1OC(F)F ZINC000430179416 927582395 /nfs/dbraw/zinc/58/23/95/927582395.db2.gz QMRDUCCJADKDJO-KRWDZBQOSA-N 1 0 373.403 3.825 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000517745338 927583512 /nfs/dbraw/zinc/58/35/12/927583512.db2.gz LEONMXHUCUEGRX-QZTJIDSGSA-N 1 0 359.514 3.513 20 30 FHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)nc1 ZINC000430188557 927682206 /nfs/dbraw/zinc/68/22/06/927682206.db2.gz UKPUEUYTTMAHNQ-HXUWFJFHSA-N 1 0 374.419 3.808 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccncc2)c1C ZINC000153959495 927686267 /nfs/dbraw/zinc/68/62/67/927686267.db2.gz NIMPVUBODMGINT-OAQYLSRUSA-N 1 0 362.477 3.782 20 30 FHEDRO CCCNC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccccc1 ZINC000122085349 937197104 /nfs/dbraw/zinc/19/71/04/937197104.db2.gz LIVHSULTMUMDRJ-UHFFFAOYSA-O 1 0 351.854 3.705 20 30 FHEDRO C[C@@H]1C[C@H](CCNC(=O)c2cc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000510085200 927971960 /nfs/dbraw/zinc/97/19/60/927971960.db2.gz LSAGRFCDRNDOEL-WBVHZDCISA-N 1 0 353.491 3.650 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc2c(c1)CCCC2 ZINC000023677243 928038171 /nfs/dbraw/zinc/03/81/71/928038171.db2.gz LQJBRPIJZILGPF-HTAPYJJXSA-N 1 0 364.489 3.722 20 30 FHEDRO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC[C@@H]1c1ccccc1 ZINC000610216100 928171644 /nfs/dbraw/zinc/17/16/44/928171644.db2.gz LHALPJWTZJQHHI-QUCCMNQESA-N 1 0 353.510 3.797 20 30 FHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC2(C1)CCCCC2 ZINC000610216172 928172702 /nfs/dbraw/zinc/17/27/02/928172702.db2.gz VFJCVGZKGIAYJX-SFHVURJKSA-N 1 0 369.509 3.987 20 30 FHEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000583199210 937230048 /nfs/dbraw/zinc/23/00/48/937230048.db2.gz DCOVGMLFUGDPHO-DZFGPLHGSA-N 1 0 350.462 3.765 20 30 FHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)cc21 ZINC000187169186 928288168 /nfs/dbraw/zinc/28/81/68/928288168.db2.gz PNYOAONEMREJFZ-UHFFFAOYSA-N 1 0 372.472 3.745 20 30 FHEDRO N#Cc1ccccc1/C=C\C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000254941645 928424880 /nfs/dbraw/zinc/42/48/80/928424880.db2.gz YYGLAQOFAPGDPZ-IBSYWUHOSA-N 1 0 365.502 3.661 20 30 FHEDRO C=CCCC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000583231312 937261132 /nfs/dbraw/zinc/26/11/32/937261132.db2.gz JTDZCDCSJQDCNO-UHFFFAOYSA-N 1 0 360.195 3.597 20 30 FHEDRO CCSc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000120505905 928694460 /nfs/dbraw/zinc/69/44/60/928694460.db2.gz LHHRIKYXTNBDGP-UHFFFAOYSA-N 1 0 367.518 3.874 20 30 FHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001167086412 928925440 /nfs/dbraw/zinc/92/54/40/928925440.db2.gz ZLJJVKHZAYSJKQ-VQIMIIECSA-N 1 0 356.853 3.788 20 30 FHEDRO CS[C@@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000134566225 929065201 /nfs/dbraw/zinc/06/52/01/929065201.db2.gz XQWNATGMQHIPSD-CYBMUJFWSA-N 1 0 363.552 3.655 20 30 FHEDRO C=CCN(CCN(Cc1cc(C)no1)Cc1ccccc1)C(=O)OCC ZINC001209021306 929077953 /nfs/dbraw/zinc/07/79/53/929077953.db2.gz WNTBEGPTLMDUQT-UHFFFAOYSA-N 1 0 357.454 3.630 20 30 FHEDRO C=CCOc1cccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000274961286 929080189 /nfs/dbraw/zinc/08/01/89/929080189.db2.gz UKWBBQUQCROZHT-UHFFFAOYSA-N 1 0 352.482 3.559 20 30 FHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCS[C@@H](C)C3)sc2C1 ZINC000246088415 929254988 /nfs/dbraw/zinc/25/49/88/929254988.db2.gz FPHLAZSAAWCIRY-STQMWFEESA-N 1 0 363.552 3.510 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000471225115 929288427 /nfs/dbraw/zinc/28/84/27/929288427.db2.gz AHEUAKHIEHGDBP-HXUWFJFHSA-N 1 0 362.539 3.824 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)c(C(F)(F)F)c1 ZINC000583294550 937327382 /nfs/dbraw/zinc/32/73/82/937327382.db2.gz NIWNVDDKGRTWPL-GOSISDBHSA-N 1 0 373.378 3.862 20 30 FHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000548792251 937336988 /nfs/dbraw/zinc/33/69/88/937336988.db2.gz PDQALCPIYWKWDJ-ACBHZAAOSA-N 1 0 355.482 3.582 20 30 FHEDRO C[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000120751450 929619414 /nfs/dbraw/zinc/61/94/14/929619414.db2.gz LLSNJRXPRYUVAJ-KHCKMINHSA-N 1 0 374.488 3.570 20 30 FHEDRO CS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000749465527 929676343 /nfs/dbraw/zinc/67/63/43/929676343.db2.gz DMYMTDMJQVXIEG-PKOBYXMFSA-N 1 0 359.539 3.848 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000547990114 929787940 /nfs/dbraw/zinc/78/79/40/929787940.db2.gz CNOXNOPYBWKPAV-HZPDHXFCSA-N 1 0 359.901 3.938 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1CCCCCC1 ZINC000261486543 929835752 /nfs/dbraw/zinc/83/57/52/929835752.db2.gz SMBIXDXXLDELIL-CYBMUJFWSA-N 1 0 369.387 3.702 20 30 FHEDRO C=CCc1cc(C[NH2+]C[C@@H](CO)c2ccccc2Cl)cc(OC)c1O ZINC000583344580 937366756 /nfs/dbraw/zinc/36/67/56/937366756.db2.gz SUUUJUAKVLXKRT-INIZCTEOSA-N 1 0 361.869 3.648 20 30 FHEDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000560531478 929857226 /nfs/dbraw/zinc/85/72/26/929857226.db2.gz ZEDNZQRYMBUEMS-WMZHIEFXSA-N 1 0 374.532 3.952 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C(C)C)C[C@@H]1C ZINC000579197660 930001266 /nfs/dbraw/zinc/00/12/66/930001266.db2.gz MEXXHHLHKKGACU-QFBILLFUSA-N 1 0 366.513 3.707 20 30 FHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000610343325 930039832 /nfs/dbraw/zinc/03/98/32/930039832.db2.gz DGVXNLAVHZBERW-OEPJDSBSSA-N 1 0 351.494 3.682 20 30 FHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610370296 930170394 /nfs/dbraw/zinc/17/03/94/930170394.db2.gz JDRCNGVWNABFFS-VXKWHMMOSA-N 1 0 366.505 3.754 20 30 FHEDRO CC[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000070869246 930190686 /nfs/dbraw/zinc/19/06/86/930190686.db2.gz FHDIAJUFWZYEQG-LPHOPBHVSA-N 1 0 356.491 3.563 20 30 FHEDRO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000070869245 930190794 /nfs/dbraw/zinc/19/07/94/930190794.db2.gz FHDIAJUFWZYEQG-QFBILLFUSA-N 1 0 356.491 3.563 20 30 FHEDRO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cc(C#N)cs1 ZINC000177709181 930229083 /nfs/dbraw/zinc/22/90/83/930229083.db2.gz OAXGTFINIQLUKL-UHFFFAOYSA-N 1 0 363.870 3.709 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1ccccc1C#N)c1ccsc1 ZINC000255170373 930275638 /nfs/dbraw/zinc/27/56/38/930275638.db2.gz BXGJLTHHAYBSPT-ZBTAVZRMSA-N 1 0 353.491 3.832 20 30 FHEDRO CCCCCCCC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC001167371886 930410399 /nfs/dbraw/zinc/41/03/99/930410399.db2.gz KHSSYMMKJCTOGA-NRFANRHFSA-N 1 0 357.542 3.770 20 30 FHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccccc2NC(C)=O)ccc1OC ZINC000160450611 930412055 /nfs/dbraw/zinc/41/20/55/930412055.db2.gz XOSFLZNTCMEKJM-SFHVURJKSA-N 1 0 367.449 3.624 20 30 FHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccccc2NC(C)=O)ccc1OC ZINC000160450738 930412196 /nfs/dbraw/zinc/41/21/96/930412196.db2.gz XOSFLZNTCMEKJM-GOSISDBHSA-N 1 0 367.449 3.624 20 30 FHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124656835 930412690 /nfs/dbraw/zinc/41/26/90/930412690.db2.gz PMWYUAKVOIGVGK-IXDOHACOSA-N 1 0 357.416 3.866 20 30 FHEDRO C=CCSc1ccccc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000580270301 930423764 /nfs/dbraw/zinc/42/37/64/930423764.db2.gz FOWSDRUNGKJLFY-UHFFFAOYSA-N 1 0 357.479 3.552 20 30 FHEDRO CC(C)[NH+]1CCC(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)CC1 ZINC000610423246 930497787 /nfs/dbraw/zinc/49/77/87/930497787.db2.gz YHEQRBKTLMKOLN-UHFFFAOYSA-N 1 0 367.415 3.570 20 30 FHEDRO C[NH+](C)Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2Br)c1 ZINC000610429032 930516952 /nfs/dbraw/zinc/51/69/52/930516952.db2.gz KOJIBGCVFUPLQX-QGZVFWFLSA-N 1 0 372.266 3.505 20 30 FHEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000728290272 930517441 /nfs/dbraw/zinc/51/74/41/930517441.db2.gz FIOPEKYTMWMTDK-LJQANCHMSA-N 1 0 350.418 3.893 20 30 FHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ccc(C#N)cc1 ZINC000471565517 930566515 /nfs/dbraw/zinc/56/65/15/930566515.db2.gz DVXKLMCOAPYSOZ-IAGOWNOFSA-N 1 0 362.477 3.836 20 30 FHEDRO C[C@H](NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000074918362 930594989 /nfs/dbraw/zinc/59/49/89/930594989.db2.gz WTENKBSRGGXPAU-LAUBAEHRSA-N 1 0 362.477 3.535 20 30 FHEDRO C=CC[N@H+](CC1CCCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC001167391329 930614787 /nfs/dbraw/zinc/61/47/87/930614787.db2.gz HREMIVWMTHUVPH-NQIIRXRSSA-N 1 0 366.546 3.815 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)cc1 ZINC000047909230 930669379 /nfs/dbraw/zinc/66/93/79/930669379.db2.gz CZLHZEFSDSIVTP-MRXNPFEDSA-N 1 0 355.482 3.595 20 30 FHEDRO COc1cc2nc(C)sc2cc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328743080 930791780 /nfs/dbraw/zinc/79/17/80/930791780.db2.gz JWCBICRFBVOOJT-CQSZACIVSA-N 1 0 374.510 3.719 20 30 FHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000610446367 930813342 /nfs/dbraw/zinc/81/33/42/930813342.db2.gz VBNIDOBYAUWVOT-IBGZPJMESA-N 1 0 361.489 3.614 20 30 FHEDRO N#Cc1cc(Cl)cc(Br)c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000561141853 930820936 /nfs/dbraw/zinc/82/09/36/930820936.db2.gz RRBAUJJFHOPGSC-JTQLQIEISA-N 1 0 354.679 3.870 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000119248834 930951752 /nfs/dbraw/zinc/95/17/52/930951752.db2.gz GPVFTJIJZLMOCN-WMLDXEAASA-N 1 0 369.415 3.619 20 30 FHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cccc(C#N)c1C ZINC000510335050 930980805 /nfs/dbraw/zinc/98/08/05/930980805.db2.gz GXBHOZUWFJXFMJ-UHFFFAOYSA-N 1 0 355.507 3.912 20 30 FHEDRO C=C(C)[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000548128693 931041400 /nfs/dbraw/zinc/04/14/00/931041400.db2.gz BAEGCJNZWGMCNP-KSSFIOAISA-N 1 0 351.441 3.612 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc(C4CC4)s3)C2)c(F)c1 ZINC000134304612 931099462 /nfs/dbraw/zinc/09/94/62/931099462.db2.gz JZDANISRRCVQEM-HNNXBMFYSA-N 1 0 356.470 3.790 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000580821121 931198815 /nfs/dbraw/zinc/19/88/15/931198815.db2.gz ALXIUVSTWSWRMM-GOSISDBHSA-N 1 0 362.433 3.709 20 30 FHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(-n2cncn2)cc1 ZINC000177823547 931232747 /nfs/dbraw/zinc/23/27/47/931232747.db2.gz QIJNISLLDJKLCT-MRXNPFEDSA-N 1 0 363.490 3.723 20 30 FHEDRO C[NH+]=C(NCc1oc2ccccc2c1C)Nc1ccc(OC)c(OC)c1 ZINC000261736247 931248378 /nfs/dbraw/zinc/24/83/78/931248378.db2.gz KDFKZJSKUKNJRG-UHFFFAOYSA-N 1 0 353.422 3.946 20 30 FHEDRO N#Cc1nnc2ccccc2c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000077189487 931330229 /nfs/dbraw/zinc/33/02/29/931330229.db2.gz MAOXGHPZZQMMGQ-UHFFFAOYSA-N 1 0 357.461 3.620 20 30 FHEDRO C[C@@H]1OCC[C@@]1(O)C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000684108582 931335888 /nfs/dbraw/zinc/33/58/88/931335888.db2.gz GOIGWTFZJGWZLE-PGRDOPGGSA-N 1 0 369.892 3.734 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(C#N)s3)C2)c1 ZINC000135080951 931367807 /nfs/dbraw/zinc/36/78/07/931367807.db2.gz IQOGMZORNRHPMJ-CABCVRRESA-N 1 0 371.506 3.814 20 30 FHEDRO N#Cc1ccc(C(F)(F)F)c(N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000126078910 931380740 /nfs/dbraw/zinc/38/07/40/931380740.db2.gz GVYAEHBDLUBCAC-UHFFFAOYSA-N 1 0 367.415 3.658 20 30 FHEDRO [NH2+]=C(NCCOCc1ccccc1)Nc1ccccc1OC(F)(F)F ZINC000160716116 931441163 /nfs/dbraw/zinc/44/11/63/931441163.db2.gz TZNGSXQYABCXGP-UHFFFAOYSA-N 1 0 353.344 3.529 20 30 FHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC001167442509 931463398 /nfs/dbraw/zinc/46/33/98/931463398.db2.gz FMIGQUVIXNMFAY-OALUTQOASA-N 1 0 357.498 3.802 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000177898621 931523589 /nfs/dbraw/zinc/52/35/89/931523589.db2.gz DNOMCECOOFZKOD-UHFFFAOYSA-N 1 0 366.440 3.792 20 30 FHEDRO C[C@H]1C[C@H](c2cccc(F)c2)N(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156793026 931527254 /nfs/dbraw/zinc/52/72/54/931527254.db2.gz ZYWRTJYCQMNEIE-MGPUTAFESA-N 1 0 372.465 3.554 20 30 FHEDRO N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000177900412 931536654 /nfs/dbraw/zinc/53/66/54/931536654.db2.gz JNKVJHJEPHCJJZ-MRXNPFEDSA-N 1 0 358.461 3.817 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000255263808 931551224 /nfs/dbraw/zinc/55/12/24/931551224.db2.gz UPCOEKNXQRGHPH-YNNNHAPMSA-N 1 0 359.473 3.741 20 30 FHEDRO CC(C)(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000156880999 931667760 /nfs/dbraw/zinc/66/77/60/931667760.db2.gz FJBJWRQVBGGXJD-IBGZPJMESA-N 1 0 356.491 3.709 20 30 FHEDRO CCC[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccc(Cl)c(Cl)c1 ZINC000581305530 931808615 /nfs/dbraw/zinc/80/86/15/931808615.db2.gz MHIMWGLGMLUTHL-RHSMWYFYSA-N 1 0 358.313 3.631 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC000581357519 931896413 /nfs/dbraw/zinc/89/64/13/931896413.db2.gz FCCSGZUXRSDPHH-OXJNMPFZSA-N 1 0 362.433 3.566 20 30 FHEDRO C[NH+](C)CCc1ccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000276172361 931981193 /nfs/dbraw/zinc/98/11/93/931981193.db2.gz UANMAOLVABIVEJ-OAQYLSRUSA-N 1 0 364.493 3.635 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)s1 ZINC000610511473 932264981 /nfs/dbraw/zinc/26/49/81/932264981.db2.gz KDZMHJWNDDYBDI-HNNXBMFYSA-N 1 0 365.380 3.534 20 30 FHEDRO COc1ccc([C@H](C/N=C\c2cc(OC)ccc2O)[NH+]2CCCC2)cc1 ZINC000255327950 932280491 /nfs/dbraw/zinc/28/04/91/932280491.db2.gz DXHXRDUGPFXIRD-ALFKQNEGSA-N 1 0 354.450 3.665 20 30 FHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)cc1C ZINC000126678460 932334654 /nfs/dbraw/zinc/33/46/54/932334654.db2.gz YMSRRXVFRIHYDU-OAQYLSRUSA-N 1 0 361.489 3.851 20 30 FHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccc(F)cc1C#N)[NH+](C)C ZINC000477161309 932361060 /nfs/dbraw/zinc/36/10/60/932361060.db2.gz LULAGFCOUCQSDQ-IFXJQAMLSA-N 1 0 354.429 3.819 20 30 FHEDRO CC(C)[NH+](CCS[C@@H]1CCN(c2sccc2C#N)C1=O)C(C)C ZINC000160980945 932363908 /nfs/dbraw/zinc/36/39/08/932363908.db2.gz VBOGHQYOROHKKN-OAHLLOKOSA-N 1 0 351.541 3.577 20 30 FHEDRO COc1cc(C#N)ccc1OCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000157354481 932384032 /nfs/dbraw/zinc/38/40/32/932384032.db2.gz SXHJJJSICSKJNV-QGZVFWFLSA-N 1 0 372.490 3.688 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933372190 932491784 /nfs/dbraw/zinc/49/17/84/932491784.db2.gz DZRSJJYBBBWISH-CRAIPNDOSA-N 1 0 373.522 3.568 20 30 FHEDRO N#Cc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000581698835 932520005 /nfs/dbraw/zinc/52/00/05/932520005.db2.gz YWAUJPIJQNNQCW-INIZCTEOSA-N 1 0 351.416 3.885 20 30 FHEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)C1 ZINC000292928987 932629117 /nfs/dbraw/zinc/62/91/17/932629117.db2.gz YVBZGTPBKDCWSQ-UMVBOHGHSA-N 1 0 363.387 3.620 20 30 FHEDRO C=CCc1cc(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc(OC)c1O ZINC000510466925 932709045 /nfs/dbraw/zinc/70/90/45/932709045.db2.gz DGUBWVSWIKMFPV-QKLQHJQFSA-N 1 0 358.526 3.967 20 30 FHEDRO CC(C)(C#N)CCCN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000471727534 932724432 /nfs/dbraw/zinc/72/44/32/932724432.db2.gz RHUSAKCDKKJWJB-UHFFFAOYSA-N 1 0 357.542 3.677 20 30 FHEDRO CC(C)(C#N)C(=O)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001143399164 932767249 /nfs/dbraw/zinc/76/72/49/932767249.db2.gz ISIXEOQSKXYLAQ-NRFANRHFSA-N 1 0 361.489 3.839 20 30 FHEDRO C=CC[C@@H](NC(=O)N(CC[NH3+])Cc1cccc(Cl)c1)c1ccncc1 ZINC000891563181 932769532 /nfs/dbraw/zinc/76/95/32/932769532.db2.gz ALVBLJOBQAJWLQ-GOSISDBHSA-N 1 0 358.873 3.523 20 30 FHEDRO C[N@@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000081801943 932790314 /nfs/dbraw/zinc/79/03/14/932790314.db2.gz PHLSODPLBFEXKN-UHFFFAOYSA-N 1 0 369.509 3.584 20 30 FHEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178196863 932864324 /nfs/dbraw/zinc/86/43/24/932864324.db2.gz QKSDZCQRCIYUEP-WMZOPIPTSA-N 1 0 372.900 3.928 20 30 FHEDRO CON=Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000255373527 932864344 /nfs/dbraw/zinc/86/43/44/932864344.db2.gz KQLCGJISPUPAGC-HKUYNNGSSA-N 1 0 371.506 3.541 20 30 FHEDRO CCC(CC)(CNC(=O)NCC1(CC#N)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000430680065 932865998 /nfs/dbraw/zinc/86/59/98/932865998.db2.gz RGHKJSPVVXUOPH-QGZVFWFLSA-N 1 0 356.514 3.889 20 30 FHEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)cc1OC ZINC000051284051 932900716 /nfs/dbraw/zinc/90/07/16/932900716.db2.gz RXJILPRYRXPIDM-IBGZPJMESA-N 1 0 352.434 3.791 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(O)c2ccccc2c1 ZINC000471799154 932953257 /nfs/dbraw/zinc/95/32/57/932953257.db2.gz PICOADOWDUVGAW-UHFFFAOYSA-N 1 0 373.456 3.621 20 30 FHEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(F)c(F)ccc1OC)CC2 ZINC001143407870 933132441 /nfs/dbraw/zinc/13/24/41/933132441.db2.gz QSXPFCWHFVFDTE-FQEVSTJZSA-N 1 0 364.436 3.507 20 30 FHEDRO N#Cc1cc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)cs1 ZINC000891794174 933305154 /nfs/dbraw/zinc/30/51/54/933305154.db2.gz WTLRABLFHZKYLK-UHFFFAOYSA-N 1 0 359.882 3.621 20 30 FHEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3Cc3ccc(F)cc3)o2)c1 ZINC000477746344 933317488 /nfs/dbraw/zinc/31/74/88/933317488.db2.gz MYZBHNOKXDUJDN-LJQANCHMSA-N 1 0 362.408 3.954 20 30 FHEDRO O=C(C[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)NC1CCCCC1 ZINC000328971158 933513936 /nfs/dbraw/zinc/51/39/36/933513936.db2.gz BLSVJFNYEXOXMT-IBGZPJMESA-N 1 0 350.890 3.609 20 30 FHEDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000610615539 933537388 /nfs/dbraw/zinc/53/73/88/933537388.db2.gz NIAKZYDKCLEIQA-HXUWFJFHSA-N 1 0 366.461 3.757 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000510730472 933598943 /nfs/dbraw/zinc/59/89/43/933598943.db2.gz DFUXAWBRLXIJDY-IRXDYDNUSA-N 1 0 372.513 3.837 20 30 FHEDRO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000091890089 933698940 /nfs/dbraw/zinc/69/89/40/933698940.db2.gz QLRWUWRIRQKSND-QGZVFWFLSA-N 1 0 367.497 3.745 20 30 FHEDRO CN(C)C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000518606621 933703720 /nfs/dbraw/zinc/70/37/20/933703720.db2.gz YQVCMMQMHUYFNR-OAQYLSRUSA-N 1 0 355.457 3.901 20 30 FHEDRO C=C(C)C[N@H+](CCc1c(C)nc2sccn2c1=O)Cc1ccccc1 ZINC000510794193 933733552 /nfs/dbraw/zinc/73/35/52/933733552.db2.gz FMJHQRJUUYOIHQ-UHFFFAOYSA-N 1 0 353.491 3.685 20 30 FHEDRO N#CC1CCC(CNC(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000891880930 933797178 /nfs/dbraw/zinc/79/71/78/933797178.db2.gz PMKVPBCAUBCPPK-ZZVGESKWSA-N 1 0 360.546 3.646 20 30 FHEDRO C[C@](O)(C[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000563012296 933850044 /nfs/dbraw/zinc/85/00/44/933850044.db2.gz XMBMHPRKDMRXGG-LBPRGKRZSA-N 1 0 359.285 3.779 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)NCC#Cc1cccc(F)c1)c1ccsc1 ZINC000510854390 933859146 /nfs/dbraw/zinc/85/91/46/933859146.db2.gz QAOZYGVHIDUPGV-LJQANCHMSA-N 1 0 373.497 3.621 20 30 FHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C12CCC2 ZINC000477872203 933907383 /nfs/dbraw/zinc/90/73/83/933907383.db2.gz GAWMZHVMUYKZPS-IAGOWNOFSA-N 1 0 350.409 3.939 20 30 FHEDRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000510890375 933973759 /nfs/dbraw/zinc/97/37/59/933973759.db2.gz QHOJQHJMYPJUKN-UHFFFAOYSA-N 1 0 353.466 3.612 20 30 FHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176087960 934050764 /nfs/dbraw/zinc/05/07/64/934050764.db2.gz SPWJELZEHFCVBL-KRWDZBQOSA-N 1 0 366.440 3.683 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1cccs1 ZINC000176089871 934051548 /nfs/dbraw/zinc/05/15/48/934051548.db2.gz AXYHZHFKYXJKGN-SCLBCKFNSA-N 1 0 372.469 3.963 20 30 FHEDRO C=C(C)COc1cc(C[N@@H+]2CCCN(c3nccs3)CC2)ccc1OC ZINC000092483170 934069276 /nfs/dbraw/zinc/06/92/76/934069276.db2.gz ASYDZEUNYLAKPJ-UHFFFAOYSA-N 1 0 373.522 3.819 20 30 FHEDRO C=CCOc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000092645135 934120433 /nfs/dbraw/zinc/12/04/33/934120433.db2.gz VRVTXWJRRRXWNG-UHFFFAOYSA-N 1 0 365.521 3.785 20 30 FHEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000092646218 934122413 /nfs/dbraw/zinc/12/24/13/934122413.db2.gz QFSTWAZAVYOIKC-UHFFFAOYSA-N 1 0 363.421 3.672 20 30 FHEDRO N#Cc1csc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000092709043 934141889 /nfs/dbraw/zinc/14/18/89/934141889.db2.gz FZNCOWFAPPECKH-CQSZACIVSA-N 1 0 372.469 3.793 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1OC ZINC000092754872 934166240 /nfs/dbraw/zinc/16/62/40/934166240.db2.gz FLNFCSOFSKOYDH-KRWDZBQOSA-N 1 0 374.525 3.633 20 30 FHEDRO CCCC[NH+]1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458171271 934342969 /nfs/dbraw/zinc/34/29/69/934342969.db2.gz VOFDZPBPSZYRBT-FQEVSTJZSA-N 1 0 356.514 3.985 20 30 FHEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccnc4ccccc34)CC2)cc1 ZINC000535782153 934371553 /nfs/dbraw/zinc/37/15/53/934371553.db2.gz NBUZNGUNWVKHGQ-UHFFFAOYSA-N 1 0 356.473 3.814 20 30 FHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(-c2ccccc2)n1 ZINC000535809011 934416676 /nfs/dbraw/zinc/41/66/76/934416676.db2.gz BNROSDPBSGIVEJ-VQTJNVASSA-N 1 0 364.493 3.712 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000610812731 934460426 /nfs/dbraw/zinc/46/04/26/934460426.db2.gz LGWSFQPSLNKEEU-CYBMUJFWSA-N 1 0 357.445 3.980 20 30 FHEDRO N#CCN1CCC([NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000610813669 934476305 /nfs/dbraw/zinc/47/63/05/934476305.db2.gz OVQIKSRMRMFGLO-QGZVFWFLSA-N 1 0 370.497 3.904 20 30 FHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CC(C)(C)C#N)c2)CC1 ZINC000458254711 934531459 /nfs/dbraw/zinc/53/14/59/934531459.db2.gz PEYBUHJZWCLDOB-UHFFFAOYSA-N 1 0 356.514 3.610 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000610986425 934689339 /nfs/dbraw/zinc/68/93/39/934689339.db2.gz PRYNRMAGYUCYJY-DYESRHJHSA-N 1 0 374.488 3.510 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000610988019 934700798 /nfs/dbraw/zinc/70/07/98/934700798.db2.gz FADXXMCOJZQTNR-LJQANCHMSA-N 1 0 370.880 3.815 20 30 FHEDRO CC(C)(C)c1ccc(C(C)(C)C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000535894212 934723888 /nfs/dbraw/zinc/72/38/88/934723888.db2.gz GCEQJPJUTPMNDY-HXUWFJFHSA-N 1 0 363.505 3.950 20 30 FHEDRO COc1ccc(CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C#N ZINC000119479501 934828764 /nfs/dbraw/zinc/82/87/64/934828764.db2.gz VCHDOTCVJKYWGV-IRXDYDNUSA-N 1 0 365.477 3.788 20 30 FHEDRO CC[C@@H](C)c1nnc([C@@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000277260384 934848546 /nfs/dbraw/zinc/84/85/46/934848546.db2.gz OUWSOBKWEADFGN-HZPDHXFCSA-N 1 0 366.513 3.505 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000511001926 934850069 /nfs/dbraw/zinc/85/00/69/934850069.db2.gz SHMBZZRBECUVRA-OXQOHEQNSA-N 1 0 365.452 3.582 20 30 FHEDRO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC000413426017 934856264 /nfs/dbraw/zinc/85/62/64/934856264.db2.gz JFNWDWBJQHTGAP-LEWJYISDSA-N 1 0 363.461 3.631 20 30 FHEDRO C[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000431288996 934889460 /nfs/dbraw/zinc/88/94/60/934889460.db2.gz VJYLVBRFEPLTHM-UYAOXDASSA-N 1 0 356.514 3.841 20 30 FHEDRO C[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000187717080 935018976 /nfs/dbraw/zinc/01/89/76/935018976.db2.gz FYJTYFGDFOLBHM-IBGZPJMESA-N 1 0 373.500 3.713 20 30 FHEDRO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000548627445 935050928 /nfs/dbraw/zinc/05/09/28/935050928.db2.gz MGMJXPJWDYKTGZ-SFHVURJKSA-N 1 0 353.853 3.606 20 30 FHEDRO N#Cc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1Cl ZINC000548627022 935052494 /nfs/dbraw/zinc/05/24/94/935052494.db2.gz OMBPINRBHSJPCJ-LJQANCHMSA-N 1 0 353.853 3.779 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccccc2OCC#N)cc1 ZINC000193872558 945075781 /nfs/dbraw/zinc/07/57/81/945075781.db2.gz UAVVICJMNDNLKH-UHFFFAOYSA-N 1 0 367.449 3.562 20 30 FHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC001167516538 935103502 /nfs/dbraw/zinc/10/35/02/935103502.db2.gz GCRTVUUJSZWQIK-RTWAWAEBSA-N 1 0 352.478 3.560 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2(CO)CCCC2)c1 ZINC000472145514 935184932 /nfs/dbraw/zinc/18/49/32/935184932.db2.gz IMTQLUPTQBKGOG-UHFFFAOYSA-N 1 0 350.462 3.780 20 30 FHEDRO CCCCCCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000728472500 935292120 /nfs/dbraw/zinc/29/21/20/935292120.db2.gz BHVFETQRIBHJJJ-GOSISDBHSA-N 1 0 359.514 3.683 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000684767609 935315684 /nfs/dbraw/zinc/31/56/84/935315684.db2.gz NBRXCBNSOQKNAI-IIBYNOLFSA-N 1 0 351.450 3.904 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000684767607 935315880 /nfs/dbraw/zinc/31/58/80/935315880.db2.gz NBRXCBNSOQKNAI-HRAATJIYSA-N 1 0 351.450 3.904 20 30 FHEDRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000611580581 935363356 /nfs/dbraw/zinc/36/33/56/935363356.db2.gz XZNFVUOXZKHCJZ-TXPKVOOTSA-N 1 0 354.498 3.571 20 30 FHEDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)(C)O)ccc1OCc1cccc(C#N)c1 ZINC000451375189 935367959 /nfs/dbraw/zinc/36/79/59/935367959.db2.gz VCDNAYKADFKBAV-INIZCTEOSA-N 1 0 368.477 3.737 20 30 FHEDRO N#Cc1cccc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000120030935 935469833 /nfs/dbraw/zinc/46/98/33/935469833.db2.gz DDNCLPNLZNGCQZ-UHFFFAOYSA-N 1 0 370.250 3.538 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H](C[NH3+])C2CC2)cc1Cl ZINC000414899313 945104347 /nfs/dbraw/zinc/10/43/47/945104347.db2.gz FJCMLNMRESZPLP-IEBWSBKVSA-N 1 0 368.868 3.854 20 30 FHEDRO CCC(CC)[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)OC ZINC000478246651 935597199 /nfs/dbraw/zinc/59/71/99/935597199.db2.gz CIQSHPWINLHMPJ-FQEVSTJZSA-N 1 0 354.498 3.890 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000178567802 935628419 /nfs/dbraw/zinc/62/84/19/935628419.db2.gz FMXSFKFANOQCQN-QGZVFWFLSA-N 1 0 362.477 3.995 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000431402415 935658891 /nfs/dbraw/zinc/65/88/91/935658891.db2.gz JZSHDYIMVCLGJY-LSTHTHJFSA-N 1 0 356.514 3.819 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cc(C#N)cs2)C1 ZINC000892260718 935685298 /nfs/dbraw/zinc/68/52/98/935685298.db2.gz QMBSEYKONWQTNZ-MAUKXSAKSA-N 1 0 368.506 3.597 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cc(C#N)cs2)C1 ZINC000892260717 935685549 /nfs/dbraw/zinc/68/55/49/935685549.db2.gz QMBSEYKONWQTNZ-CRAIPNDOSA-N 1 0 368.506 3.597 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000657429992 935711777 /nfs/dbraw/zinc/71/17/77/935711777.db2.gz VLXDLFADXLMNBA-ZDUSSCGKSA-N 1 0 366.296 3.530 20 30 FHEDRO C=CC[C@H]1CC[N@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000934471013 935716542 /nfs/dbraw/zinc/71/65/42/935716542.db2.gz HQCWKLCVGAIRHT-KRWDZBQOSA-N 1 0 366.465 3.597 20 30 FHEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC001167577825 935751783 /nfs/dbraw/zinc/75/17/83/935751783.db2.gz WFMRYNSZUHPCDZ-PBHICJAKSA-N 1 0 369.292 3.624 20 30 FHEDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000582524137 935800751 /nfs/dbraw/zinc/80/07/51/935800751.db2.gz QIBWQDBYQRVWLA-HXUWFJFHSA-N 1 0 373.460 3.781 20 30 FHEDRO N#CCCC1CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000582543990 935811749 /nfs/dbraw/zinc/81/17/49/935811749.db2.gz MBQIBZLCDYXYMF-UHFFFAOYSA-N 1 0 365.477 3.824 20 30 FHEDRO C=CCN(CC=C)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000611642916 935863951 /nfs/dbraw/zinc/86/39/51/935863951.db2.gz GESNFOPJHPBCDM-HXUWFJFHSA-N 1 0 357.498 3.606 20 30 FHEDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479647689 935871693 /nfs/dbraw/zinc/87/16/93/935871693.db2.gz ZRPDADAJDJUSCF-UHFFFAOYSA-N 1 0 365.502 3.877 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000562137754 935904454 /nfs/dbraw/zinc/90/44/54/935904454.db2.gz VLYSGUQYCPRDBA-OXJNMPFZSA-N 1 0 350.466 3.988 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1ccc(F)cc1 ZINC000065595961 935931959 /nfs/dbraw/zinc/93/19/59/935931959.db2.gz YMLMUNFOZDWKKR-UHFFFAOYSA-N 1 0 359.832 3.854 20 30 FHEDRO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329096085 935968054 /nfs/dbraw/zinc/96/80/54/935968054.db2.gz BOBRLSSYMJIGHZ-QZTJIDSGSA-N 1 0 365.562 3.740 20 30 FHEDRO C=CCOc1c(Cl)cc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000628140404 936033157 /nfs/dbraw/zinc/03/31/57/936033157.db2.gz JOXJLUZSPTYWDK-HNNXBMFYSA-N 1 0 352.906 3.687 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000077274001 936043190 /nfs/dbraw/zinc/04/31/90/936043190.db2.gz AOUHNHIJBIEMCN-UHFFFAOYSA-N 1 0 353.466 3.701 20 30 FHEDRO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000511192281 936049730 /nfs/dbraw/zinc/04/97/30/936049730.db2.gz QKYWZIGSCJDYHL-KRWDZBQOSA-N 1 0 359.901 3.940 20 30 FHEDRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC000046528608 936103696 /nfs/dbraw/zinc/10/36/96/936103696.db2.gz IMBLWZRQHCNYDU-AWEZNQCLSA-N 1 0 371.868 3.988 20 30 FHEDRO C=C(C)[C@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccc(F)c(F)c1 ZINC000187768175 936106183 /nfs/dbraw/zinc/10/61/83/936106183.db2.gz HPJCIBWQJDYNIG-IBGZPJMESA-N 1 0 355.388 3.582 20 30 FHEDRO COc1cc2cccnc2c(N(c2cc(C#N)ccn2)[C@@H](C)CCC[NH3+])c1 ZINC001167614281 936106697 /nfs/dbraw/zinc/10/66/97/936106697.db2.gz UUNFTCKNCPVAIU-HNNXBMFYSA-N 1 0 361.449 3.776 20 30 FHEDRO COc1cc2cccnc2c(N(c2cc(C#N)ccn2)[C@H](C)CCC[NH3+])c1 ZINC001167614282 936106807 /nfs/dbraw/zinc/10/68/07/936106807.db2.gz UUNFTCKNCPVAIU-OAHLLOKOSA-N 1 0 361.449 3.776 20 30 FHEDRO COc1cccc([C@@H](CNc2nc3cc(Cl)ccn3c2C#N)[NH+](C)C)c1 ZINC000582802563 936144043 /nfs/dbraw/zinc/14/40/43/936144043.db2.gz GMIQTNMUJMOORY-QGZVFWFLSA-N 1 0 369.856 3.583 20 30 FHEDRO CCN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)Cc1ccccn1 ZINC000119796490 936152019 /nfs/dbraw/zinc/15/20/19/936152019.db2.gz IFDFHTZSZXRHEC-INIZCTEOSA-N 1 0 368.506 3.936 20 30 FHEDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC001167626034 936205620 /nfs/dbraw/zinc/20/56/20/936205620.db2.gz UWNNFIYKXASPPL-UHFFFAOYSA-N 1 0 365.525 3.969 20 30 FHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCSCC#N)[C@H]2CCCC[C@@H]12 ZINC000439985822 945154297 /nfs/dbraw/zinc/15/42/97/945154297.db2.gz WCBZFLRKDLTZFI-FKSLSLAPSA-N 1 0 365.587 3.817 20 30 FHEDRO C[C@H]1CCN(c2c(C#N)nnc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000078689667 936242421 /nfs/dbraw/zinc/24/24/21/936242421.db2.gz WGCKCWMVQVBAEV-KRWDZBQOSA-N 1 0 357.461 3.602 20 30 FHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438848388 945152546 /nfs/dbraw/zinc/15/25/46/945152546.db2.gz HRPAMCRGTSZXIO-PMACEKPBSA-N 1 0 356.514 3.985 20 30 FHEDRO CC(C)[C@@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1 ZINC000519128361 945153976 /nfs/dbraw/zinc/15/39/76/945153976.db2.gz PEZFXLSPJUSASZ-RBBKRZOGSA-N 1 0 352.478 3.522 20 30 FHEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000583441468 938255616 /nfs/dbraw/zinc/25/56/16/938255616.db2.gz IVXNIRPRQSYDKN-UHFFFAOYSA-N 1 0 370.460 3.770 20 30 FHEDRO CCNC(=S)C(C(=O)c1nccs1)[n+]1ccc(C(CC)CC)cc1 ZINC000278282710 938279740 /nfs/dbraw/zinc/27/97/40/938279740.db2.gz PZGSQBBZNDGWJU-UHFFFAOYSA-O 1 0 362.544 3.883 20 30 FHEDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2c(n1)onc2C(C)C ZINC000329202667 938285978 /nfs/dbraw/zinc/28/59/78/938285978.db2.gz YDIIMIPQLMIZJV-CQSZACIVSA-N 1 0 356.470 3.976 20 30 FHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCC(C)(C)CC#N)C[N@@H+]1Cc1ccccc1 ZINC000458588205 938303794 /nfs/dbraw/zinc/30/37/94/938303794.db2.gz KUJYAVHZIWBUFP-IEBWSBKVSA-N 1 0 356.514 3.526 20 30 FHEDRO C=CCOCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000583570334 938308440 /nfs/dbraw/zinc/30/84/40/938308440.db2.gz NGOMAQJPWZLPKU-FQEVSTJZSA-N 1 0 359.491 3.915 20 30 FHEDRO Cn1cc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000157256469 938344404 /nfs/dbraw/zinc/34/44/04/938344404.db2.gz BBIRETBMCTZGTE-FCHUYYIVSA-N 1 0 372.472 3.969 20 30 FHEDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c(-n2cc(Cl)cn2)n1 ZINC000583722734 938376342 /nfs/dbraw/zinc/37/63/42/938376342.db2.gz KKCJGSILFWCQOH-IBGZPJMESA-N 1 0 363.852 3.878 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000157518101 938384394 /nfs/dbraw/zinc/38/43/94/938384394.db2.gz QMFNTUJKPWZUNW-SFHVURJKSA-N 1 0 369.509 3.706 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000415223983 945170603 /nfs/dbraw/zinc/17/06/03/945170603.db2.gz AOSACIAEKWVCEX-DZGCQCFKSA-N 1 0 368.412 3.739 20 30 FHEDRO C[C@@H](CCNC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000458678985 938412541 /nfs/dbraw/zinc/41/25/41/938412541.db2.gz VRJWCWFDFDYLCB-ICSRJNTNSA-N 1 0 356.514 3.985 20 30 FHEDRO CC(C)(CNC(=O)N[C@H](CCCC#N)c1ccccc1)C[NH+]1CCCC1 ZINC000458699391 938447343 /nfs/dbraw/zinc/44/73/43/938447343.db2.gz PJMIFJOQBKNZPZ-LJQANCHMSA-N 1 0 356.514 3.843 20 30 FHEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)o1 ZINC000278497362 938479328 /nfs/dbraw/zinc/47/93/28/938479328.db2.gz MXPPREOKLPMSEX-UHFFFAOYSA-N 1 0 366.339 3.845 20 30 FHEDRO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000248082822 938535718 /nfs/dbraw/zinc/53/57/18/938535718.db2.gz SETMUAYQEUAHDW-WOJBJXKFSA-N 1 0 351.450 3.818 20 30 FHEDRO CCC[N@H+](C)[C@H](CNC(=O)N(C)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000458765064 938540148 /nfs/dbraw/zinc/54/01/48/938540148.db2.gz JTGSKCXATJLMNA-QGZVFWFLSA-N 1 0 364.921 3.914 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000151472858 938552000 /nfs/dbraw/zinc/55/20/00/938552000.db2.gz UVXIWFVTIWJDFK-WOJBJXKFSA-N 1 0 350.466 3.634 20 30 FHEDRO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000329643552 938570682 /nfs/dbraw/zinc/57/06/82/938570682.db2.gz IYBLIVNGEYOKJC-DOTOQJQBSA-N 1 0 355.482 3.912 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@]2(C)OCCc3sccc32)cc1Cl ZINC000262370965 938592836 /nfs/dbraw/zinc/59/28/36/938592836.db2.gz LNSNTWRBVGHJQF-KRWDZBQOSA-N 1 0 365.886 3.625 20 30 FHEDRO N#CCCC[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000458793889 938593493 /nfs/dbraw/zinc/59/34/93/938593493.db2.gz ADFMTCHQBOGYIY-VQTJNVASSA-N 1 0 354.498 3.691 20 30 FHEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278632675 938605085 /nfs/dbraw/zinc/60/50/85/938605085.db2.gz KUGJKOVTLGJXGY-OALUTQOASA-N 1 0 367.497 3.542 20 30 FHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(C#N)ccc1Cl ZINC000506747137 945190442 /nfs/dbraw/zinc/19/04/42/945190442.db2.gz LRIFWZZDZDESPT-UHFFFAOYSA-N 1 0 359.832 3.555 20 30 FHEDRO C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807506 938614667 /nfs/dbraw/zinc/61/46/67/938614667.db2.gz VQQZMZIZZJLIBT-KKSFZXQISA-N 1 0 362.477 3.680 20 30 FHEDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000584178536 938630235 /nfs/dbraw/zinc/63/02/35/938630235.db2.gz WEZHLUWWFNCLNT-SFHVURJKSA-N 1 0 364.367 3.799 20 30 FHEDRO CCOc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278665611 938631458 /nfs/dbraw/zinc/63/14/58/938631458.db2.gz NODHWCZFFWLBKY-UHFFFAOYSA-N 1 0 361.449 3.547 20 30 FHEDRO COc1ccc(NC(=[NH2+])NCC2(Cc3ccccc3)CCC2)cc1OC ZINC000159322152 938657241 /nfs/dbraw/zinc/65/72/41/938657241.db2.gz AYUMEWKNMYGVNJ-UHFFFAOYSA-N 1 0 353.466 3.843 20 30 FHEDRO COc1ccc(C2=CC[N@H+](CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000052935482 938671024 /nfs/dbraw/zinc/67/10/24/938671024.db2.gz VFPKVFXZJOQETA-UHFFFAOYSA-N 1 0 367.474 3.746 20 30 FHEDRO C[NH+](C)C1(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCCCCC1 ZINC000506015999 945199337 /nfs/dbraw/zinc/19/93/37/945199337.db2.gz BJYMZTAUDGLOMH-UHFFFAOYSA-N 1 0 359.489 3.746 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000329781359 938779722 /nfs/dbraw/zinc/77/97/22/938779722.db2.gz SPSXWYJSXCPJNE-PZJWPPBQSA-N 1 0 373.541 3.841 20 30 FHEDRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000480281555 938802587 /nfs/dbraw/zinc/80/25/87/938802587.db2.gz WKHKYYARHVXNFE-SJCJKPOMSA-N 1 0 362.271 3.525 20 30 FHEDRO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000329792902 938812475 /nfs/dbraw/zinc/81/24/75/938812475.db2.gz AMBMTHJCPBVQCV-GOSISDBHSA-N 1 0 363.477 3.665 20 30 FHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000094122052 938935178 /nfs/dbraw/zinc/93/51/78/938935178.db2.gz KGTMWCZPZNTICJ-KRWDZBQOSA-N 1 0 363.461 3.603 20 30 FHEDRO N#Cc1cccc(OCC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000430918118 938943354 /nfs/dbraw/zinc/94/33/54/938943354.db2.gz GFXRQSDLVPNLKJ-QFIPXVFZSA-N 1 0 350.462 3.661 20 30 FHEDRO N#Cc1ccc(C[NH2+]CCCOc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000480467902 938963103 /nfs/dbraw/zinc/96/31/03/938963103.db2.gz JZZHFCOOABQARE-UHFFFAOYSA-N 1 0 353.319 3.670 20 30 FHEDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000134974216 938965514 /nfs/dbraw/zinc/96/55/14/938965514.db2.gz KJHFCYDTIXETIA-MRXNPFEDSA-N 1 0 350.853 3.965 20 30 FHEDRO N#CCCn1cc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000278776226 938966690 /nfs/dbraw/zinc/96/66/90/938966690.db2.gz YQUJFUCQJIZIGY-PZJWPPBQSA-N 1 0 357.461 3.580 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000074877124 938972849 /nfs/dbraw/zinc/97/28/49/938972849.db2.gz NBQZAUIJYCERDI-NHCUHLMSSA-N 1 0 371.525 3.555 20 30 FHEDRO C=CCOc1cc(OC)ccc1-c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000685325798 938974102 /nfs/dbraw/zinc/97/41/02/938974102.db2.gz HXPPMRGUENKYQO-GOOCMWNKSA-N 1 0 355.438 3.650 20 30 FHEDRO [NH2+]=C(NCc1ccc(F)cc1C(F)(F)F)N[C@@H]1CCOc2ccccc21 ZINC000262537957 938977408 /nfs/dbraw/zinc/97/74/08/938977408.db2.gz QOICHCTXFFDECG-OAHLLOKOSA-N 1 0 367.346 3.773 20 30 FHEDRO COC1CC[NH+](C2(CNc3ncc(Cl)c(C)c3C#N)CCCC2)CC1 ZINC000544068780 938985080 /nfs/dbraw/zinc/98/50/80/938985080.db2.gz YWDKQAXHFSVUME-UHFFFAOYSA-N 1 0 362.905 3.751 20 30 FHEDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000611938306 938993552 /nfs/dbraw/zinc/99/35/52/938993552.db2.gz CRALDGBPLQJQBT-MRXNPFEDSA-N 1 0 370.884 3.949 20 30 FHEDRO COc1cc(NC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)cc(OC)c1 ZINC000544071740 938994257 /nfs/dbraw/zinc/99/42/57/938994257.db2.gz VTBVUHJXRAHCPN-UHFFFAOYSA-N 1 0 365.477 3.846 20 30 FHEDRO C=CCn1c(CCc2ccccc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000685534462 938997462 /nfs/dbraw/zinc/99/74/62/938997462.db2.gz VEIOLHLDDUDHMD-UHFFFAOYSA-N 1 0 367.541 3.560 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000657983245 939016554 /nfs/dbraw/zinc/01/65/54/939016554.db2.gz RMRYLSBGDITGPN-AEFFLSMTSA-N 1 0 366.502 3.590 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000657983251 939016562 /nfs/dbraw/zinc/01/65/62/939016562.db2.gz RMRYLSBGDITGPN-SJLPKXTDSA-N 1 0 366.502 3.590 20 30 FHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccoc1 ZINC000102409139 939016902 /nfs/dbraw/zinc/01/69/02/939016902.db2.gz KBOQHAXDSHGFIB-UHFFFAOYSA-N 1 0 357.479 3.942 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(C=NOC)cc2)cc1 ZINC000255657139 939037645 /nfs/dbraw/zinc/03/76/45/939037645.db2.gz CYYOYZOGFGVPMK-UHFFFAOYSA-N 1 0 369.465 3.640 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000612124951 939102332 /nfs/dbraw/zinc/10/23/32/939102332.db2.gz XRTPSAAQUARQCS-GFSYIJCISA-N 1 0 366.509 3.517 20 30 FHEDRO N#Cc1csc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000612133323 939126045 /nfs/dbraw/zinc/12/60/45/939126045.db2.gz WBVHRJUDWDFMJN-GUDVDZBRSA-N 1 0 365.502 3.650 20 30 FHEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179479594 939171043 /nfs/dbraw/zinc/17/10/43/939171043.db2.gz VJQZADPUBOVANO-FXAWDEMLSA-N 1 0 364.449 3.524 20 30 FHEDRO CCc1ccc([C@H]2CN(C(=O)c3ccc(Cl)c(C#N)c3)CCN2)cc1 ZINC000548885707 939191390 /nfs/dbraw/zinc/19/13/90/939191390.db2.gz HGNYOGBBJGNWOE-LJQANCHMSA-N 1 0 353.853 3.561 20 30 FHEDRO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000612174519 939193286 /nfs/dbraw/zinc/19/32/86/939193286.db2.gz CRFPZNWYKBSGPW-RBBKRZOGSA-N 1 0 364.489 3.599 20 30 FHEDRO CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000507446143 945240259 /nfs/dbraw/zinc/24/02/59/945240259.db2.gz DLRGDZWQNOSROE-OALUTQOASA-N 1 0 363.461 3.950 20 30 FHEDRO C=C(C)Cn1c(CCCC)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427273751 945245165 /nfs/dbraw/zinc/24/51/65/945245165.db2.gz NHCRGRJUMQFWJW-UHFFFAOYSA-N 1 0 353.514 3.519 20 30 FHEDRO CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000507462404 945250475 /nfs/dbraw/zinc/25/04/75/945250475.db2.gz DKVCZVKQLCZGGZ-UZLBHIALSA-N 1 0 365.452 3.995 20 30 FHEDRO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1O ZINC000177097042 939882767 /nfs/dbraw/zinc/88/27/67/939882767.db2.gz VQAMLELDZAFMBS-UHFFFAOYSA-N 1 0 357.479 3.793 20 30 FHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000179582619 939891430 /nfs/dbraw/zinc/89/14/30/939891430.db2.gz JJMJGXIGLCGTKX-STQMWFEESA-N 1 0 359.376 3.837 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179615710 939895868 /nfs/dbraw/zinc/89/58/68/939895868.db2.gz UGTOXUDHGPDOBT-ZDUSSCGKSA-N 1 0 362.376 3.898 20 30 FHEDRO C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1cccs1)c1ccc(OCC#N)cc1 ZINC000375812629 939928293 /nfs/dbraw/zinc/92/82/93/939928293.db2.gz RIUPMCLWNYYDDR-XAUMDUMWSA-N 1 0 355.507 3.994 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)c2ccc(CC)cc2)CC1 ZINC000431642259 939955710 /nfs/dbraw/zinc/95/57/10/939955710.db2.gz BCVPULUHJGXGRE-UHFFFAOYSA-N 1 0 357.542 3.866 20 30 FHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000179839344 939976378 /nfs/dbraw/zinc/97/63/78/939976378.db2.gz IHCBPFFTEWWVCF-UHFFFAOYSA-N 1 0 371.488 3.656 20 30 FHEDRO C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982444 939987206 /nfs/dbraw/zinc/98/72/06/939987206.db2.gz BJCVEPJGSOXSIU-IXDOHACOSA-N 1 0 370.415 3.545 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000612315298 939992582 /nfs/dbraw/zinc/99/25/82/939992582.db2.gz LDRXOUOWWFXAKI-NRFANRHFSA-N 1 0 370.497 3.709 20 30 FHEDRO C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@@](C)(C#N)C2)CCCC1)c1ccccc1 ZINC000612372237 940028362 /nfs/dbraw/zinc/02/83/62/940028362.db2.gz KSLKAZNJFWYXPG-RXVVDRJESA-N 1 0 368.525 3.985 20 30 FHEDRO C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@](C)(C#N)C2)CCCC1)c1ccccc1 ZINC000612372238 940028513 /nfs/dbraw/zinc/02/85/13/940028513.db2.gz KSLKAZNJFWYXPG-WIYYLYMNSA-N 1 0 368.525 3.985 20 30 FHEDRO N#C[C@@]1(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)CCc2ccccc2C1 ZINC000413707725 940032962 /nfs/dbraw/zinc/03/29/62/940032962.db2.gz COJQPYOVQPQAKQ-XMMPIXPASA-N 1 0 373.500 3.854 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2ccccc21 ZINC000065930658 940079184 /nfs/dbraw/zinc/07/91/84/940079184.db2.gz WQFYTHANUJDIGV-QFIPXVFZSA-N 1 0 361.489 3.569 20 30 FHEDRO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000612470143 940088857 /nfs/dbraw/zinc/08/88/57/940088857.db2.gz HAKABCPGPOLFQL-QFIPXVFZSA-N 1 0 367.468 3.615 20 30 FHEDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000179894551 940092616 /nfs/dbraw/zinc/09/26/16/940092616.db2.gz JUGAQTSKTHBANC-HXUWFJFHSA-N 1 0 364.445 3.665 20 30 FHEDRO Cc1ccc(N2CCC([NH2+]Cc3ccc(F)c(C#N)c3Cl)CC2)nc1 ZINC000365449766 940166042 /nfs/dbraw/zinc/16/60/42/940166042.db2.gz DQRNUQGKXCUHQF-UHFFFAOYSA-N 1 0 358.848 3.813 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000413837184 940175811 /nfs/dbraw/zinc/17/58/11/940175811.db2.gz QPUFCDHNMWKLAU-HBMCJLEFSA-N 1 0 355.526 3.831 20 30 FHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(C#N)ccc3F)ccc2NC1=O ZINC000180002767 940211173 /nfs/dbraw/zinc/21/11/73/940211173.db2.gz HLVMIRSZCRPNTF-KPZWWZAWSA-N 1 0 353.397 3.658 20 30 FHEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000570274424 940226475 /nfs/dbraw/zinc/22/64/75/940226475.db2.gz WKLNLFXTUSPITH-AQNXPRMDSA-N 1 0 363.933 3.552 20 30 FHEDRO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000782636765 940245691 /nfs/dbraw/zinc/24/56/91/940245691.db2.gz KHIIMZSNTWRAMR-KRWDZBQOSA-N 1 0 360.461 3.880 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(C#N)s1 ZINC000376061801 940257346 /nfs/dbraw/zinc/25/73/46/940257346.db2.gz LOMPMJIRBWITHR-LLVKDONJSA-N 1 0 362.886 3.557 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(SCC#N)c2)c(F)c1 ZINC000413904977 940260059 /nfs/dbraw/zinc/26/00/59/940260059.db2.gz VQMHTQSYCAVCCP-UHFFFAOYSA-N 1 0 373.453 3.634 20 30 FHEDRO Cc1ccc2[nH+]ccc(N3CCN(c4oc(C5CC5)nc4C#N)CC3)c2c1 ZINC000612778476 940272010 /nfs/dbraw/zinc/27/20/10/940272010.db2.gz BPQFRPHGPFTFFT-UHFFFAOYSA-N 1 0 359.433 3.607 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c(F)c1 ZINC000413919564 940282071 /nfs/dbraw/zinc/28/20/71/940282071.db2.gz UGYHSTVEUZTGCT-KRWDZBQOSA-N 1 0 369.440 3.792 20 30 FHEDRO C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(F)c1 ZINC000413919568 940282225 /nfs/dbraw/zinc/28/22/25/940282225.db2.gz UGYHSTVEUZTGCT-QGZVFWFLSA-N 1 0 369.440 3.792 20 30 FHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000466920391 940299591 /nfs/dbraw/zinc/29/95/91/940299591.db2.gz PKMVALFPGGJCCB-IUODEOHRSA-N 1 0 353.919 3.582 20 30 FHEDRO Cn1cc(CNCCC[N@H+](C)C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180042146 940302583 /nfs/dbraw/zinc/30/25/83/940302583.db2.gz BZCIXBWBCYXHCP-UHFFFAOYSA-N 1 0 365.525 3.703 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N(C)c1ccccc1 ZINC000180052083 940323600 /nfs/dbraw/zinc/32/36/00/940323600.db2.gz FXTVVZKRZJZNQL-KRWDZBQOSA-N 1 0 359.477 3.573 20 30 FHEDRO C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(OCC#N)cc1 ZINC000376164279 940397110 /nfs/dbraw/zinc/39/71/10/940397110.db2.gz FCDFINMCGIRRSW-AZUAARDMSA-N 1 0 364.493 3.547 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)O1 ZINC000376168287 940408887 /nfs/dbraw/zinc/40/88/87/940408887.db2.gz VSBHMMOAUQOGKO-SAZZBMJHSA-N 1 0 369.292 3.856 20 30 FHEDRO C[C@H]([NH2+]C1CCN(Cc2ccsc2)CC1)c1ccc(OCC#N)cc1 ZINC000376177810 940429193 /nfs/dbraw/zinc/42/91/93/940429193.db2.gz LGPRHRHEPZDAQO-INIZCTEOSA-N 1 0 355.507 3.966 20 30 FHEDRO C[C@@H]1CC(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000548993557 940456753 /nfs/dbraw/zinc/45/67/53/940456753.db2.gz ONDOOZLMAUPMJP-HZPDHXFCSA-N 1 0 352.482 3.642 20 30 FHEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1Cn1cccn1 ZINC000177860369 940469450 /nfs/dbraw/zinc/46/94/50/940469450.db2.gz ISMAMKUOVCAWEV-HNNXBMFYSA-N 1 0 364.424 3.802 20 30 FHEDRO C[NH+](C)CCN(Cc1c[nH]nc1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000580205348 940470095 /nfs/dbraw/zinc/47/00/95/940470095.db2.gz BWPATANQSBYYTL-UHFFFAOYSA-N 1 0 359.477 3.512 20 30 FHEDRO C[NH+](C)CCN(Cc1c[nH]nc1-c1ccsc1)Cc1ccc(C#N)cc1 ZINC000580498867 940477063 /nfs/dbraw/zinc/47/70/63/940477063.db2.gz FDJNSTIMAZDIDK-UHFFFAOYSA-N 1 0 365.506 3.574 20 30 FHEDRO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000580503895 940477187 /nfs/dbraw/zinc/47/71/87/940477187.db2.gz ASENNNTUZJMOCH-GOSISDBHSA-N 1 0 361.411 3.840 20 30 FHEDRO CC(C)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c2ccccc21 ZINC000580888584 940490167 /nfs/dbraw/zinc/49/01/67/940490167.db2.gz NIVOITSTGVNVHW-NHCUHLMSSA-N 1 0 368.502 3.806 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000581101468 940493670 /nfs/dbraw/zinc/49/36/70/940493670.db2.gz IDXDZVXWSSMGIX-HNAYVOBHSA-N 1 0 366.440 3.872 20 30 FHEDRO N#C[C@@H]1CCC[C@H](Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)C1 ZINC000613252266 940493680 /nfs/dbraw/zinc/49/36/80/940493680.db2.gz MKFVQRBTGWHMTG-XLIONFOSSA-N 1 0 354.498 3.995 20 30 FHEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000581117393 940495693 /nfs/dbraw/zinc/49/56/93/940495693.db2.gz OUJIHTIQPVNGOR-UICACZKSSA-N 1 0 357.523 3.994 20 30 FHEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)[C@@H]1COc2ccccc21 ZINC000581842240 940626621 /nfs/dbraw/zinc/62/66/21/940626621.db2.gz ABCXYLOYPYBLMF-PXAZEXFGSA-N 1 0 357.251 3.975 20 30 FHEDRO CCC[C@H](CCc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000581939353 940639417 /nfs/dbraw/zinc/63/94/17/940639417.db2.gz WYTZSOCCDJRAKK-HXUWFJFHSA-N 1 0 370.518 3.723 20 30 FHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)c2ccccc2F)c(OC)c1 ZINC000613373413 940643584 /nfs/dbraw/zinc/64/35/84/940643584.db2.gz NLDXAEKXRIHZJU-SJLPKXTDSA-N 1 0 373.468 3.996 20 30 FHEDRO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000151369136 945338147 /nfs/dbraw/zinc/33/81/47/945338147.db2.gz LVJOPGPPJBXUMR-ZDUSSCGKSA-N 1 0 372.266 3.828 20 30 FHEDRO CC(C)(C)[N@@H+]1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000582317784 940665210 /nfs/dbraw/zinc/66/52/10/940665210.db2.gz IKJIEJWEYAPICM-UHFFFAOYSA-N 1 0 362.399 3.834 20 30 FHEDRO CCOCCC[N@@H+]1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@@H](C)C1 ZINC000613427001 940693813 /nfs/dbraw/zinc/69/38/13/940693813.db2.gz WAXYMYXPWZZHAN-FUHWJXTLSA-N 1 0 358.530 3.800 20 30 FHEDRO Cc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N(C)C)cc1 ZINC000180152100 940700302 /nfs/dbraw/zinc/70/03/02/940700302.db2.gz DCJHIMQWSLIODR-QFIPXVFZSA-N 1 0 373.504 3.660 20 30 FHEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)CS(C)(=O)=O ZINC000376284576 940703092 /nfs/dbraw/zinc/70/30/92/940703092.db2.gz ZNIDCQDAHCGFQZ-HOTGVXAUSA-N 1 0 356.491 3.557 20 30 FHEDRO CC[C@@H]1CN([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C[C@@]2(CCOC2)O1 ZINC000330073956 945345786 /nfs/dbraw/zinc/34/57/86/945345786.db2.gz KWQYMKZJFFBHBG-NEYJZJCJSA-N 1 0 360.498 3.671 20 30 FHEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613502894 940791358 /nfs/dbraw/zinc/79/13/58/940791358.db2.gz VYYSHLXVYWKEAI-JTHBVZDNSA-N 1 0 364.489 3.590 20 30 FHEDRO C=CC[N@@H+](CCc1ccnn1C)Cc1cc(Br)ccc1F ZINC000549040974 940804134 /nfs/dbraw/zinc/80/41/34/940804134.db2.gz SUZIKRYMKLNKQM-UHFFFAOYSA-N 1 0 352.251 3.552 20 30 FHEDRO CC(C)[N@H+](CCc1nccs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180221778 940834757 /nfs/dbraw/zinc/83/47/57/940834757.db2.gz VCLGXBUIIHINRQ-UHFFFAOYSA-N 1 0 365.506 3.868 20 30 FHEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1cccs1 ZINC000180250179 940875860 /nfs/dbraw/zinc/87/58/60/940875860.db2.gz WZAODLDHPDALLS-OAHLLOKOSA-N 1 0 350.491 3.989 20 30 FHEDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CC1 ZINC000329985701 940888515 /nfs/dbraw/zinc/88/85/15/940888515.db2.gz DNKOREAHJWMVNU-SIKLNZKXSA-N 1 0 372.509 3.573 20 30 FHEDRO COc1cc(N[C@H]2CCC[N@H+](Cc3ccc(C)c(C#N)c3)C2)cc(OC)c1 ZINC001167772101 945357343 /nfs/dbraw/zinc/35/73/43/945357343.db2.gz GGXWDWBQMFTHHN-IBGZPJMESA-N 1 0 365.477 3.960 20 30 FHEDRO CO[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000180270474 940898768 /nfs/dbraw/zinc/89/87/68/940898768.db2.gz MXYQHUUCSXINKT-HXUWFJFHSA-N 1 0 364.424 3.575 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000414286122 940899519 /nfs/dbraw/zinc/89/95/19/940899519.db2.gz IURBBHATYCDXNN-XTWGIRIWSA-N 1 0 352.453 3.895 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000414296738 940912867 /nfs/dbraw/zinc/91/28/67/940912867.db2.gz GRXDIFWVFKRSEX-HKUYNNGSSA-N 1 0 372.534 3.789 20 30 FHEDRO CCOC(=O)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000180317937 940958413 /nfs/dbraw/zinc/95/84/13/940958413.db2.gz XDSYUOALEDMGHF-UHFFFAOYSA-N 1 0 363.461 3.811 20 30 FHEDRO Cc1ccc([C@@H](CNC(=O)c2cccc(SCC#N)c2)[NH+]2CCCC2)o1 ZINC000176037690 940972395 /nfs/dbraw/zinc/97/23/95/940972395.db2.gz JJGMPCPGSITCPK-GOSISDBHSA-N 1 0 369.490 3.771 20 30 FHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000330124240 945366399 /nfs/dbraw/zinc/36/63/99/945366399.db2.gz CIFGVRFBSPFLQD-MISYRCLQSA-N 1 0 373.541 3.778 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000330126336 945366893 /nfs/dbraw/zinc/36/68/93/945366893.db2.gz IQDHEHZLPNRRSS-APWZRJJASA-N 1 0 373.545 3.678 20 30 FHEDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1coc(C2CCCC2)n1 ZINC000330129101 945367862 /nfs/dbraw/zinc/36/78/62/945367862.db2.gz JUAXZUCDWCKSST-UHFFFAOYSA-N 1 0 369.465 3.925 20 30 FHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)/C=C/c1ccccc1C#N ZINC000180431066 941018741 /nfs/dbraw/zinc/01/87/41/941018741.db2.gz LSWPBUOJKTYQGT-VOTSOKGWSA-N 1 0 374.488 3.732 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659030514 941031349 /nfs/dbraw/zinc/03/13/49/941031349.db2.gz HUBQCSJLJGCFOT-HXUWFJFHSA-N 1 0 351.450 3.568 20 30 FHEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659043294 941044219 /nfs/dbraw/zinc/04/42/19/941044219.db2.gz OCUNTRDWWXNBCS-NRFANRHFSA-N 1 0 365.477 3.958 20 30 FHEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000186696672 941044976 /nfs/dbraw/zinc/04/49/76/941044976.db2.gz CZVCOJRROMSVOA-JQWIXIFHSA-N 1 0 364.795 3.603 20 30 FHEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000180552332 941046550 /nfs/dbraw/zinc/04/65/50/941046550.db2.gz NLGTTYYXEQEWEU-YLJYHZDGSA-N 1 0 365.433 3.998 20 30 FHEDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(C#N)cc1 ZINC000376463838 941055720 /nfs/dbraw/zinc/05/57/20/941055720.db2.gz NXEWGPYXNBSVAS-OALUTQOASA-N 1 0 365.481 3.524 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)ccc1OC ZINC000134549825 941092520 /nfs/dbraw/zinc/09/25/20/941092520.db2.gz JFGMIMVDUXJTCB-IBGZPJMESA-N 1 0 372.509 3.531 20 30 FHEDRO C[C@H]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1n1ccnc1 ZINC000181184012 941112432 /nfs/dbraw/zinc/11/24/32/941112432.db2.gz BPVMLFILADQCGN-GUYCJALGSA-N 1 0 359.271 3.600 20 30 FHEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181295614 941120664 /nfs/dbraw/zinc/12/06/64/941120664.db2.gz GJRVPTMEDNMBPW-OAHLLOKOSA-N 1 0 354.837 3.999 20 30 FHEDRO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181295597 941120673 /nfs/dbraw/zinc/12/06/73/941120673.db2.gz GJRVPTMEDNMBPW-HNNXBMFYSA-N 1 0 354.837 3.999 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(-c2cccnc2)cc1 ZINC000181304200 941121163 /nfs/dbraw/zinc/12/11/63/941121163.db2.gz JMRLOQGJZGJGRA-CQSZACIVSA-N 1 0 362.458 3.971 20 30 FHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CC2CCC2)c2ccccc2)cc1 ZINC000181344519 941128581 /nfs/dbraw/zinc/12/85/81/941128581.db2.gz BPTFLNOXJILPKX-OAQYLSRUSA-N 1 0 368.502 3.853 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000177785155 941150235 /nfs/dbraw/zinc/15/02/35/941150235.db2.gz IRXSNWWLOHQAHV-ZDUSSCGKSA-N 1 0 371.403 3.596 20 30 FHEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000311267501 941151232 /nfs/dbraw/zinc/15/12/32/941151232.db2.gz BPGCDRMILZTQMY-GOEBONIOSA-N 1 0 361.461 3.823 20 30 FHEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000189510372 941159365 /nfs/dbraw/zinc/15/93/65/941159365.db2.gz VUBLXHQRVPNMJK-GOEBONIOSA-N 1 0 351.903 3.804 20 30 FHEDRO N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000311357806 941246037 /nfs/dbraw/zinc/24/60/37/941246037.db2.gz DWTOPUMKBMTEGC-SFHVURJKSA-N 1 0 350.422 3.791 20 30 FHEDRO CC[C@@](C)(O)C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000189719366 941267013 /nfs/dbraw/zinc/26/70/13/941267013.db2.gz MBFCXSJXIYDGRC-HXUWFJFHSA-N 1 0 371.506 3.612 20 30 FHEDRO CCCN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103206702 941273457 /nfs/dbraw/zinc/27/34/57/941273457.db2.gz FWLXKFCSXIUZBX-UHFFFAOYSA-N 1 0 351.450 3.764 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000178550369 941274835 /nfs/dbraw/zinc/27/48/35/941274835.db2.gz QTTWIELBCBENQS-KRWDZBQOSA-N 1 0 362.477 3.995 20 30 FHEDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000480702310 941310719 /nfs/dbraw/zinc/31/07/19/941310719.db2.gz WPBZEXQQSTVNOP-HRAATJIYSA-N 1 0 368.502 3.696 20 30 FHEDRO N#CC1(CCCN2CCc3cc(Br)sc3C2)CCOCC1 ZINC000376750893 941412614 /nfs/dbraw/zinc/41/26/14/941412614.db2.gz MWNUCKIRCYOFMN-UHFFFAOYSA-N 1 0 369.328 3.969 20 30 FHEDRO CCN(C(=O)NCC(C)(C)CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376996241 941486448 /nfs/dbraw/zinc/48/64/48/941486448.db2.gz VKPWNZKBKKIVQL-LJQANCHMSA-N 1 0 356.514 3.622 20 30 FHEDRO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000414958256 941523062 /nfs/dbraw/zinc/52/30/62/941523062.db2.gz RMQAPBMGERQBHX-PCCBWWKXSA-N 1 0 357.457 3.673 20 30 FHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415002015 941535782 /nfs/dbraw/zinc/53/57/82/941535782.db2.gz DDVVWQYHYMVDCE-YOEHRIQHSA-N 1 0 350.422 3.599 20 30 FHEDRO C[C@](C[NH3+])(NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CC1 ZINC000415010402 941539056 /nfs/dbraw/zinc/53/90/56/941539056.db2.gz PATVNGUENAHUMF-HXUWFJFHSA-N 1 0 350.422 3.599 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H](C[NH3+])C1 ZINC000415003673 941541427 /nfs/dbraw/zinc/54/14/27/941541427.db2.gz GJEJBEVTWOSWKS-MAUKXSAKSA-N 1 0 364.449 3.942 20 30 FHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCC3)cc2)cc1 ZINC000415042210 941561334 /nfs/dbraw/zinc/56/13/34/941561334.db2.gz QJVGVZWJFHPOFS-FQEVSTJZSA-N 1 0 364.449 3.990 20 30 FHEDRO C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H](C[NH3+])C1 ZINC000415048764 941565951 /nfs/dbraw/zinc/56/59/51/941565951.db2.gz XHOZUMAFGOYSAT-QAPCUYQASA-N 1 0 364.449 3.942 20 30 FHEDRO Cc1nn(C)c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C#N ZINC000549171400 941583254 /nfs/dbraw/zinc/58/32/54/941583254.db2.gz AZMCLAUNPLDGQE-UHFFFAOYSA-N 1 0 371.488 3.512 20 30 FHEDRO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000549173450 941586191 /nfs/dbraw/zinc/58/61/91/941586191.db2.gz PQZJNTMAMOFHHN-RDTXWAMCSA-N 1 0 353.491 3.806 20 30 FHEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000565538822 941618743 /nfs/dbraw/zinc/61/87/43/941618743.db2.gz HPSHVHHZDAHFFM-OLZOCXBDSA-N 1 0 356.401 3.737 20 30 FHEDRO CN(C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000415147261 941633484 /nfs/dbraw/zinc/63/34/84/941633484.db2.gz HHGFNQXGKAPHPR-IBGZPJMESA-N 1 0 350.422 3.552 20 30 FHEDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000415152648 941635688 /nfs/dbraw/zinc/63/56/88/941635688.db2.gz VJDSIJAMBDJSHS-GOSISDBHSA-N 1 0 352.438 3.845 20 30 FHEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000178316312 941637735 /nfs/dbraw/zinc/63/77/35/941637735.db2.gz UZWJRQFQACJKLQ-OAHLLOKOSA-N 1 0 355.434 3.575 20 30 FHEDRO C[C@@H](CCNC(=O)Nc1ccc(F)c(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000472727308 941642749 /nfs/dbraw/zinc/64/27/49/941642749.db2.gz NUIXXPMDADTOAP-HNNXBMFYSA-N 1 0 354.429 3.729 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])cc2)c1 ZINC000415161568 941643862 /nfs/dbraw/zinc/64/38/62/941643862.db2.gz MROSRZYQCABCTD-OXJNMPFZSA-N 1 0 364.449 3.990 20 30 FHEDRO C[NH2+]CCC1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000415168967 941646142 /nfs/dbraw/zinc/64/61/42/941646142.db2.gz VIBZDWVBNDAQOW-HNNXBMFYSA-N 1 0 360.527 3.934 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000120677350 941764817 /nfs/dbraw/zinc/76/48/17/941764817.db2.gz WBJVSUSPMKANPV-UHFFFAOYSA-N 1 0 373.460 3.643 20 30 FHEDRO CN1CC[N@H+](CCCC2(C#N)CCOCC2)C[C@H]1c1ccccc1Cl ZINC000377521919 941782541 /nfs/dbraw/zinc/78/25/41/941782541.db2.gz AVAPCDAVKJAZGC-IBGZPJMESA-N 1 0 361.917 3.729 20 30 FHEDRO N#Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000122561766 941796968 /nfs/dbraw/zinc/79/69/68/941796968.db2.gz GHEHTDYHDAXAIK-UHFFFAOYSA-N 1 0 353.853 3.737 20 30 FHEDRO CC1(C)CCC[N@H+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458839414 941798909 /nfs/dbraw/zinc/79/89/09/941798909.db2.gz MUBWZCLUDGGQAD-IBGZPJMESA-N 1 0 356.514 3.843 20 30 FHEDRO CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000330132151 941814976 /nfs/dbraw/zinc/81/49/76/941814976.db2.gz QDIPBQAWENJZJZ-URLQWDBASA-N 1 0 359.518 3.657 20 30 FHEDRO COc1cc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc(OC)c1O ZINC000377614680 941844616 /nfs/dbraw/zinc/84/46/16/941844616.db2.gz JPLVINXYZSBIBK-MSOLQXFVSA-N 1 0 352.434 3.681 20 30 FHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)C3(C#N)CCC3)cc2Cl)CC1 ZINC000119269991 941875444 /nfs/dbraw/zinc/87/54/44/941875444.db2.gz HCUKOLHNFNSUBY-UHFFFAOYSA-N 1 0 360.889 3.504 20 30 FHEDRO CCc1nnc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000262384947 941892429 /nfs/dbraw/zinc/89/24/29/941892429.db2.gz PQRFNIUANGNTEI-MRVPVSSYSA-N 1 0 358.298 3.573 20 30 FHEDRO CC(C)n1ccn(CN2CCCN(c3ccccc3C#N)CC2)c1=S ZINC000728709883 941936614 /nfs/dbraw/zinc/93/66/14/941936614.db2.gz DTPWRCHFAYDFED-UHFFFAOYSA-N 1 0 355.511 3.641 20 30 FHEDRO Cc1ncc(CN(C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)s1 ZINC000053154117 941959402 /nfs/dbraw/zinc/95/94/02/941959402.db2.gz FJGWEHNMWGENOJ-OAHLLOKOSA-N 1 0 356.495 3.527 20 30 FHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@H](C)C3)sc2C1 ZINC000328672507 941961429 /nfs/dbraw/zinc/96/14/29/941961429.db2.gz IFQPGKYSDUMVJE-KGLIPLIRSA-N 1 0 361.511 3.691 20 30 FHEDRO [NH2+]=C(Nc1ccccn1)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000262826757 941963561 /nfs/dbraw/zinc/96/35/61/941963561.db2.gz QNCUENGPNNAWAH-HAQNSBGRSA-N 1 0 363.234 3.656 20 30 FHEDRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1(CC#N)CC1 ZINC000430029709 941993337 /nfs/dbraw/zinc/99/33/37/941993337.db2.gz YMQIWPVJZIUSTO-UHFFFAOYSA-N 1 0 359.271 3.727 20 30 FHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000513560268 942016686 /nfs/dbraw/zinc/01/66/86/942016686.db2.gz MLMWTDFJRKOUER-QHCPKHFHSA-N 1 0 369.468 3.748 20 30 FHEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000415741260 942029143 /nfs/dbraw/zinc/02/91/43/942029143.db2.gz YKLKBMOEMQPZRL-IBGZPJMESA-N 1 0 367.453 3.583 20 30 FHEDRO N#C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@]12c1ccccc1NC2=O ZINC000513589617 942030126 /nfs/dbraw/zinc/03/01/26/942030126.db2.gz YTVIOLJSYRNDLN-JPYJTQIMSA-N 1 0 353.425 3.685 20 30 FHEDRO N#C[C@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@]12c1ccccc1NC2=O ZINC000513589616 942030300 /nfs/dbraw/zinc/03/03/00/942030300.db2.gz YTVIOLJSYRNDLN-FDDCHVKYSA-N 1 0 353.425 3.685 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000377852826 942035941 /nfs/dbraw/zinc/03/59/41/942035941.db2.gz UKVRUTYHJCJAGR-HTAPYJJXSA-N 1 0 368.452 3.544 20 30 FHEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000513633032 942047258 /nfs/dbraw/zinc/04/72/58/942047258.db2.gz VSFIVXHOARYUGK-QFIPXVFZSA-N 1 0 366.505 3.723 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000415799354 942055493 /nfs/dbraw/zinc/05/54/93/942055493.db2.gz BZRIWAHZYCVWGX-CQSZACIVSA-N 1 0 352.463 3.522 20 30 FHEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000434052956 942056806 /nfs/dbraw/zinc/05/68/06/942056806.db2.gz LZNNDPFUXVQFND-SFHVURJKSA-N 1 0 369.490 3.630 20 30 FHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000513656127 942058277 /nfs/dbraw/zinc/05/82/77/942058277.db2.gz QCEBTSJXSGYCLA-HNNXBMFYSA-N 1 0 350.422 3.786 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)NCC2([NH3+])CCC2)cc1 ZINC000415801204 942058335 /nfs/dbraw/zinc/05/83/35/942058335.db2.gz GCSYBPKIPRZSKZ-UHFFFAOYSA-N 1 0 352.463 3.712 20 30 FHEDRO C#CCCOc1ccc(C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)cc1 ZINC000377900932 942060716 /nfs/dbraw/zinc/06/07/16/942060716.db2.gz CMTFMTACTNHKNC-UHFFFAOYSA-N 1 0 363.505 3.580 20 30 FHEDRO COC(=O)c1csc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)c1 ZINC000513660098 942060775 /nfs/dbraw/zinc/06/07/75/942060775.db2.gz FRDDSFLWGWFKFX-CYBMUJFWSA-N 1 0 360.504 3.990 20 30 FHEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000415811847 942064037 /nfs/dbraw/zinc/06/40/37/942064037.db2.gz XYLREKKHRULGPR-CABCVRRESA-N 1 0 366.490 3.910 20 30 FHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C)c1C#N ZINC000501931467 942118601 /nfs/dbraw/zinc/11/86/01/942118601.db2.gz URCATVRGWNHJGU-DJJJIMSYSA-N 1 0 368.456 3.822 20 30 FHEDRO CCN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501960884 942137361 /nfs/dbraw/zinc/13/73/61/942137361.db2.gz KUKBPMXNGUNZLI-GCJKJVERSA-N 1 0 361.489 3.785 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415932015 942158640 /nfs/dbraw/zinc/15/86/40/942158640.db2.gz NDSQVZWGEDUAIZ-UHFFFAOYSA-N 1 0 355.486 3.794 20 30 FHEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000183137890 942167634 /nfs/dbraw/zinc/16/76/34/942167634.db2.gz WHPCVVJHRRHDSD-JKSUJKDBSA-N 1 0 373.460 3.730 20 30 FHEDRO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000181984496 942190418 /nfs/dbraw/zinc/19/04/18/942190418.db2.gz ZJSTUBFKRWGEPR-WOJBJXKFSA-N 1 0 357.498 3.581 20 30 FHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C#N)s1 ZINC000420830417 942216675 /nfs/dbraw/zinc/21/66/75/942216675.db2.gz HZMMQWPZUNKNTB-LJQANCHMSA-N 1 0 370.522 3.576 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000280699493 942232042 /nfs/dbraw/zinc/23/20/42/942232042.db2.gz SGGVZVIXTLILNX-SIKLNZKXSA-N 1 0 368.477 3.740 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415983514 942233754 /nfs/dbraw/zinc/23/37/54/942233754.db2.gz NTULSOOKLYHONJ-UHFFFAOYSA-N 1 0 355.486 3.794 20 30 FHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC[C@@H]21 ZINC000458809107 942244711 /nfs/dbraw/zinc/24/47/11/942244711.db2.gz ZWKRMNMCPRASDJ-AABGKKOBSA-N 1 0 354.498 3.547 20 30 FHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCC3(C#N)CCC3)cc2)C1 ZINC000419403811 942248664 /nfs/dbraw/zinc/24/86/64/942248664.db2.gz FEYDUVNSNYLPHU-HDICACEKSA-N 1 0 368.525 3.658 20 30 FHEDRO C[C@]1(CNc2ccc(C#N)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000312013043 942258217 /nfs/dbraw/zinc/25/82/17/942258217.db2.gz SHJIKHWQNTYKKI-HXUWFJFHSA-N 1 0 350.422 3.791 20 30 FHEDRO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000420933658 942262350 /nfs/dbraw/zinc/26/23/50/942262350.db2.gz WNMUZVDKUWILDT-IAGOWNOFSA-N 1 0 350.503 3.529 20 30 FHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCC2(C#N)CCC2)c1 ZINC000419470660 942270642 /nfs/dbraw/zinc/27/06/42/942270642.db2.gz APSQCLIJTXFABA-UHFFFAOYSA-N 1 0 356.514 3.802 20 30 FHEDRO C=CCOc1c(Br)cc(C[N@H+](C[C@H](C)O)C(C)C)cc1OC ZINC000093144610 942273280 /nfs/dbraw/zinc/27/32/80/942273280.db2.gz XDKOBZPULHVPQS-ZDUSSCGKSA-N 1 0 372.303 3.614 20 30 FHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000501035478 942278661 /nfs/dbraw/zinc/27/86/61/942278661.db2.gz AJYWRJSRJZWGHQ-ZWKOTPCHSA-N 1 0 360.299 3.740 20 30 FHEDRO C=CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000501097212 942305870 /nfs/dbraw/zinc/30/58/70/942305870.db2.gz ZPWXLVNXNWEODZ-UHFFFAOYSA-N 1 0 353.422 3.654 20 30 FHEDRO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000180078231 942321393 /nfs/dbraw/zinc/32/13/93/942321393.db2.gz LAWSTYGNMIRHKO-HOTGVXAUSA-N 1 0 358.486 3.609 20 30 FHEDRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1Cl ZINC000378197738 942377283 /nfs/dbraw/zinc/37/72/83/942377283.db2.gz CWHIMIQWQDTGFA-NBQZKYEYSA-N 1 0 371.916 3.679 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000075696534 942420703 /nfs/dbraw/zinc/42/07/03/942420703.db2.gz XULYXBCODFSORZ-SJORKVTESA-N 1 0 355.482 3.820 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000424929992 942449448 /nfs/dbraw/zinc/44/94/48/942449448.db2.gz CUZIOYYETDRNME-VXKWHMMOSA-N 1 0 364.489 3.640 20 30 FHEDRO C[NH+](C)[C@H](CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000416185339 942452660 /nfs/dbraw/zinc/45/26/60/942452660.db2.gz UJYXIAXNUCHERD-JOCHJYFZSA-N 1 0 359.473 3.867 20 30 FHEDRO C=C(CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000501404714 942463381 /nfs/dbraw/zinc/46/33/81/942463381.db2.gz ZLXCACCURVTVFZ-UGKGYDQZSA-N 1 0 363.505 3.910 20 30 FHEDRO N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000502508654 942486006 /nfs/dbraw/zinc/48/60/06/942486006.db2.gz LBTPYALJODEVQM-ZIAGYGMSSA-N 1 0 359.214 3.961 20 30 FHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000421344406 942498014 /nfs/dbraw/zinc/49/80/14/942498014.db2.gz SYSBSZNWNMYCGA-NHCUHLMSSA-N 1 0 363.440 3.755 20 30 FHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2ccc(C#N)c(F)c2)c1 ZINC000421355691 942505415 /nfs/dbraw/zinc/50/54/15/942505415.db2.gz JHVXMNCIWBCBGO-UHFFFAOYSA-N 1 0 354.429 3.590 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000414835024 942516943 /nfs/dbraw/zinc/51/69/43/942516943.db2.gz UNUGVFNBAHLJTA-UHFFFAOYSA-N 1 0 350.466 3.523 20 30 FHEDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000421367949 942520242 /nfs/dbraw/zinc/52/02/42/942520242.db2.gz XDKJWBJWUAGZIM-DYESRHJHSA-N 1 0 350.462 3.588 20 30 FHEDRO CC[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC(F)(F)F ZINC000414516164 942537831 /nfs/dbraw/zinc/53/78/31/942537831.db2.gz NWJDGVPJUSNNFK-AWEZNQCLSA-N 1 0 365.403 3.927 20 30 FHEDRO C=CCCCCNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000472955465 942540038 /nfs/dbraw/zinc/54/00/38/942540038.db2.gz VFHXLWPLULFEAA-UHFFFAOYSA-N 1 0 359.514 3.563 20 30 FHEDRO C=CCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000430040172 942567902 /nfs/dbraw/zinc/56/79/02/942567902.db2.gz ORJISQDVRATSJY-DOTOQJQBSA-N 1 0 369.431 3.916 20 30 FHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000502624183 942588826 /nfs/dbraw/zinc/58/88/26/942588826.db2.gz UUACXMXAQNPRBN-UHFFFAOYSA-N 1 0 362.477 3.636 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000416306240 942633704 /nfs/dbraw/zinc/63/37/04/942633704.db2.gz ZOOAQDKMCJDORO-UHFFFAOYSA-N 1 0 369.852 3.828 20 30 FHEDRO C[NH+](C)CC(C)(C)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000237093884 942662774 /nfs/dbraw/zinc/66/27/74/942662774.db2.gz KWUDTHVLSVJNHI-UHFFFAOYSA-N 1 0 351.494 3.815 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000502743939 942710593 /nfs/dbraw/zinc/71/05/93/942710593.db2.gz NPMWWERCVRQOCH-UHFFFAOYSA-N 1 0 351.469 3.945 20 30 FHEDRO CC(C)(C)[NH+]1CCC([NH2+]CC2CCN(c3ccccc3C#N)CC2)CC1 ZINC000378402461 942712355 /nfs/dbraw/zinc/71/23/55/942712355.db2.gz LQVUZCSXQSOFMJ-UHFFFAOYSA-N 1 0 354.542 3.627 20 30 FHEDRO C[NH+]=C(NC[C@@H](C)c1c(C)noc1C)N1CCSC2(CCCCC2)C1 ZINC000261918492 942733622 /nfs/dbraw/zinc/73/36/22/942733622.db2.gz KEDJLKIPOBNWMU-CQSZACIVSA-N 1 0 364.559 3.722 20 30 FHEDRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000378445477 942776357 /nfs/dbraw/zinc/77/63/57/942776357.db2.gz SPUPPMRNTXWPCU-OALUTQOASA-N 1 0 362.433 3.629 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCCCOCCc2ccccc2)O1 ZINC000378452272 942786056 /nfs/dbraw/zinc/78/60/56/942786056.db2.gz LFKJRTATDGCFAF-CZYKHXBRSA-N 1 0 356.510 3.855 20 30 FHEDRO C[C@@H]([NH2+]C1CCN(C(=O)C2CCCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000378458927 942790783 /nfs/dbraw/zinc/79/07/83/942790783.db2.gz STLFOVDIVOGWHN-QGZVFWFLSA-N 1 0 369.509 3.811 20 30 FHEDRO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000513758530 942799460 /nfs/dbraw/zinc/79/94/60/942799460.db2.gz DDVMVHJPSHFVEN-HXUWFJFHSA-N 1 0 355.869 3.815 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2sccc2C#N)CC[C@H]1C(F)(F)F ZINC000190185800 942849630 /nfs/dbraw/zinc/84/96/30/942849630.db2.gz OGDQLQWUODOTHP-GFCCVEGCSA-N 1 0 359.417 3.859 20 30 FHEDRO CCCC[C@@H](ON=C(C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000273458333 942961674 /nfs/dbraw/zinc/96/16/74/942961674.db2.gz MIJVWFGMESPQKR-YLJYHZDGSA-N 1 0 374.529 3.694 20 30 FHEDRO COC[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000434790331 942969840 /nfs/dbraw/zinc/96/98/40/942969840.db2.gz SZENQOBJDIKCTR-VXKWHMMOSA-N 1 0 364.489 3.670 20 30 FHEDRO CC[NH+](CC)CCS[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000434793258 942970777 /nfs/dbraw/zinc/97/07/77/942970777.db2.gz KRURXLZJLLBZMU-HNNXBMFYSA-N 1 0 351.491 3.536 20 30 FHEDRO N#Cc1ccsc1N1CC[C@H]([NH2+]CC2(c3ccccc3)CCCC2)C1=O ZINC000434878060 943013529 /nfs/dbraw/zinc/01/35/29/943013529.db2.gz BTYCZEDPDCRXCO-SFHVURJKSA-N 1 0 365.502 3.827 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000503200848 943049889 /nfs/dbraw/zinc/04/98/89/943049889.db2.gz VZYHONDSOBXZQT-RTBURBONSA-N 1 0 367.497 3.598 20 30 FHEDRO C[NH+](C)CC[C@@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000416699478 943050051 /nfs/dbraw/zinc/05/00/51/943050051.db2.gz XQKJEGVDWCIMJZ-RTBURBONSA-N 1 0 356.514 3.601 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1)c1ccc(C#N)cc1 ZINC000503210664 943052302 /nfs/dbraw/zinc/05/23/02/943052302.db2.gz YVLGNNSIIQQMJV-CABCVRRESA-N 1 0 359.433 3.626 20 30 FHEDRO N#Cc1cccc(C2(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)CC2)c1 ZINC000435009380 943097228 /nfs/dbraw/zinc/09/72/28/943097228.db2.gz SPSREHGMYNHZCX-UHFFFAOYSA-N 1 0 365.521 3.704 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H]2COc3cc(OC)ccc3C2)ccc1OC ZINC000503269200 943100055 /nfs/dbraw/zinc/10/00/55/943100055.db2.gz YDSORBNHISYEOT-GOSISDBHSA-N 1 0 369.461 3.752 20 30 FHEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1[C@H]1CCN(c2sccc2C#N)C1=O ZINC000435042836 943109838 /nfs/dbraw/zinc/10/98/38/943109838.db2.gz WXZBMPIOBXODDB-SUMDDJOVSA-N 1 0 365.502 3.678 20 30 FHEDRO C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272193861 943111367 /nfs/dbraw/zinc/11/13/67/943111367.db2.gz BZJUXPOGBRIIBJ-WIYYLYMNSA-N 1 0 373.500 3.882 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000435026720 943111440 /nfs/dbraw/zinc/11/14/40/943111440.db2.gz JMIADFRWBLKSHJ-JOCHJYFZSA-N 1 0 373.500 3.761 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)CC2)c1 ZINC000435048388 943118609 /nfs/dbraw/zinc/11/86/09/943118609.db2.gz IQOLHNKMVRHGPQ-UHFFFAOYSA-N 1 0 365.521 3.895 20 30 FHEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469265236 943146762 /nfs/dbraw/zinc/14/67/62/943146762.db2.gz PWLJYQSGOQNCPJ-IHRRRGAJSA-N 1 0 367.415 3.738 20 30 FHEDRO C#CCCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000363953410 943149646 /nfs/dbraw/zinc/14/96/46/943149646.db2.gz RBPGCBYBTYLCHJ-WCRBZPEASA-N 1 0 353.510 3.627 20 30 FHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)C1 ZINC000272422277 943153165 /nfs/dbraw/zinc/15/31/65/943153165.db2.gz NNHNJXASILUEMH-SFHVURJKSA-N 1 0 368.525 3.754 20 30 FHEDRO C[C@H]1C[C@@]1([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000503378680 943156420 /nfs/dbraw/zinc/15/64/20/943156420.db2.gz QFUUEVDUKBFTAA-LIRRHRJNSA-N 1 0 374.893 3.510 20 30 FHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C(=O)OC)c(C(C)C)[nH]2)c1 ZINC000894272737 943158795 /nfs/dbraw/zinc/15/87/95/943158795.db2.gz FAWGBVJJVWUQIX-KRWDZBQOSA-N 1 0 369.465 3.895 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1ccc(F)c(F)c1)C(C)C ZINC000503411424 943169565 /nfs/dbraw/zinc/16/95/65/943169565.db2.gz FKGNQJZPWINHFR-LJQANCHMSA-N 1 0 365.468 3.805 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(F)c(F)c1F)C(C)C ZINC000503440661 943180556 /nfs/dbraw/zinc/18/05/56/943180556.db2.gz XWHHVDPLBHRBCL-OAHLLOKOSA-N 1 0 355.404 3.924 20 30 FHEDRO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435126771 943181556 /nfs/dbraw/zinc/18/15/56/943181556.db2.gz QSZHHCCQCMWTAM-QGZVFWFLSA-N 1 0 357.461 3.806 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(-n2cccn2)cc1)C(C)C ZINC000503440045 943185187 /nfs/dbraw/zinc/18/51/87/943185187.db2.gz WPYITZKNYFHJLF-FQEVSTJZSA-N 1 0 367.497 3.692 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1ccc(F)cc1F)C(C)C ZINC000503440840 943185613 /nfs/dbraw/zinc/18/56/13/943185613.db2.gz VRPFKUBIQCIZRI-IBGZPJMESA-N 1 0 365.468 3.805 20 30 FHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C#N)cc1)C(=S)N[C@H](C)CC ZINC000185582305 943189008 /nfs/dbraw/zinc/18/90/08/943189008.db2.gz WSDMSYWAHJGEJP-OAHLLOKOSA-O 1 0 366.510 3.735 20 30 FHEDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503469096 943203553 /nfs/dbraw/zinc/20/35/53/943203553.db2.gz YMMFVUNESSZRKZ-DIOULYMOSA-N 1 0 363.552 3.699 20 30 FHEDRO C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1=CC[N@H+](C)CC1 ZINC000272710884 943206931 /nfs/dbraw/zinc/20/69/31/943206931.db2.gz KNISULMMKATADG-LSDHHAIUSA-N 1 0 358.511 3.710 20 30 FHEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccncc1C#N)C1CCCCC1 ZINC000828193736 943256229 /nfs/dbraw/zinc/25/62/29/943256229.db2.gz WNMIHLGZNRWUJQ-GOSISDBHSA-N 1 0 358.486 3.516 20 30 FHEDRO N#CCCCNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000273020801 943260822 /nfs/dbraw/zinc/26/08/22/943260822.db2.gz ANQMEBRRXSQCCY-UHFFFAOYSA-N 1 0 369.296 3.561 20 30 FHEDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001167740388 943261945 /nfs/dbraw/zinc/26/19/45/943261945.db2.gz KZEYZPUFUSLSKS-JKSUJKDBSA-N 1 0 354.454 3.755 20 30 FHEDRO C[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000431917975 943304750 /nfs/dbraw/zinc/30/47/50/943304750.db2.gz CHBWKEALRMQVCB-WSTZPKSXSA-N 1 0 356.514 3.841 20 30 FHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCC1CCC(C#N)CC1 ZINC000514837470 943331305 /nfs/dbraw/zinc/33/13/05/943331305.db2.gz UTUNDAGVWGYGRG-XEVCZEQESA-N 1 0 368.525 3.622 20 30 FHEDRO CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000435355661 943352708 /nfs/dbraw/zinc/35/27/08/943352708.db2.gz PKZNLFYSZXNZCD-JOCHJYFZSA-N 1 0 373.500 3.713 20 30 FHEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000417121059 943355627 /nfs/dbraw/zinc/35/56/27/943355627.db2.gz ZRFAFPVNGKHVBS-FOIQADDNSA-N 1 0 350.466 3.742 20 30 FHEDRO C=CCOc1cccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435390081 943377704 /nfs/dbraw/zinc/37/77/04/943377704.db2.gz NTJZNBRLHKCJAG-OAQYLSRUSA-N 1 0 351.494 3.791 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H]2CCC2(C)C)c1C#N ZINC000566428153 943381798 /nfs/dbraw/zinc/38/17/98/943381798.db2.gz CMOQZKFOXUNRGE-SFHVURJKSA-N 1 0 368.481 3.725 20 30 FHEDRO C[C@H](C[N@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000425368967 943384353 /nfs/dbraw/zinc/38/43/53/943384353.db2.gz YSQYABIYVNIHHJ-CVEARBPZSA-N 1 0 356.491 3.758 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@](C)(CCc3ccccc3)C2)CC1 ZINC000435415617 943388737 /nfs/dbraw/zinc/38/87/37/943388737.db2.gz CIVFWRSFDJEUGG-QFIPXVFZSA-N 1 0 355.526 3.691 20 30 FHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1CCC(C#N)CC1)[NH+](C)C ZINC000503919575 943408185 /nfs/dbraw/zinc/40/81/85/943408185.db2.gz GVGRNKUVENZGMV-USWSCHJFSA-N 1 0 356.514 3.615 20 30 FHEDRO COc1ncccc1CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000584689771 943410689 /nfs/dbraw/zinc/41/06/89/943410689.db2.gz DXHDFFRQNIMNRG-UHFFFAOYSA-N 1 0 373.456 3.873 20 30 FHEDRO C=CC[C@H](C)C(=O)N1CCC[C@@]2(CCC[N@H+](Cc3scnc3C)C2)C1 ZINC001269961527 943415191 /nfs/dbraw/zinc/41/51/91/943415191.db2.gz ZHYRRXBLXKZVBU-OXJNMPFZSA-N 1 0 361.555 3.868 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc(F)c1SC)C(C)C ZINC000435460063 943426001 /nfs/dbraw/zinc/42/60/01/943426001.db2.gz PWNZYXBEKNBYKC-KRWDZBQOSA-N 1 0 350.503 3.976 20 30 FHEDRO C=CCC(C)(C)C(=O)N1CCC2(CC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001269977119 943469632 /nfs/dbraw/zinc/46/96/32/943469632.db2.gz IFXJFVIDGCGABR-UHFFFAOYSA-N 1 0 361.555 3.868 20 30 FHEDRO C=CCOc1cccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000515094510 943500942 /nfs/dbraw/zinc/50/09/42/943500942.db2.gz PQARIJFAWSBVEX-QFIPXVFZSA-N 1 0 355.453 3.818 20 30 FHEDRO CSc1nc(C2CC2)cc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1C#N ZINC000504180200 943530045 /nfs/dbraw/zinc/53/00/45/943530045.db2.gz DFVTUIBRLHVIKN-UHFFFAOYSA-N 1 0 374.554 3.743 20 30 FHEDRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417385690 943561468 /nfs/dbraw/zinc/56/14/68/943561468.db2.gz MGULEJAQAAMAPJ-JTSKRJEESA-N 1 0 361.489 3.663 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000515230500 943572990 /nfs/dbraw/zinc/57/29/90/943572990.db2.gz OHOCPFOREHMQER-QGZVFWFLSA-N 1 0 354.841 3.608 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000435735729 943588759 /nfs/dbraw/zinc/58/87/59/943588759.db2.gz PNSKWAOMLGMHJN-SJKOYZFVSA-N 1 0 367.280 3.645 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000435738758 943590035 /nfs/dbraw/zinc/59/00/35/943590035.db2.gz UHBCWBQMKUVSBJ-PXAZEXFGSA-N 1 0 353.388 3.663 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435742692 943592634 /nfs/dbraw/zinc/59/26/34/943592634.db2.gz WRNNEIOHKBEUFV-RHSMWYFYSA-N 1 0 359.451 3.789 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000424069775 943707863 /nfs/dbraw/zinc/70/78/63/943707863.db2.gz QQGAHAMFDSIRAD-LPHOPBHVSA-N 1 0 366.465 3.691 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000424084369 943721014 /nfs/dbraw/zinc/72/10/14/943721014.db2.gz YDZRIYYHSYJTHH-MRXNPFEDSA-N 1 0 364.474 3.847 20 30 FHEDRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H]([NH3+])CCCC#N)c(C)c1 ZINC000424127090 943746181 /nfs/dbraw/zinc/74/61/81/943746181.db2.gz AGFDXNQVLDMOTI-INIZCTEOSA-N 1 0 367.497 3.746 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC000424128433 943746302 /nfs/dbraw/zinc/74/63/02/943746302.db2.gz RCHXXJGZFYTHAG-IBGZPJMESA-N 1 0 371.481 3.972 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1ccccc1COc1ccccc1Cl ZINC000424127944 943746735 /nfs/dbraw/zinc/74/67/35/943746735.db2.gz QGGXUDQQRQRERL-SFHVURJKSA-N 1 0 371.868 3.556 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000424148224 943751621 /nfs/dbraw/zinc/75/16/21/943751621.db2.gz ZMUYDLSBRJVZGY-JBACZVJFSA-N 1 0 350.462 3.856 20 30 FHEDRO COc1ccc([C@H](NC(=O)[C@H]([NH3+])CCCC#N)c2ccccc2Cl)cc1 ZINC000424130582 943756800 /nfs/dbraw/zinc/75/68/00/943756800.db2.gz UAJURJRPNFXLRN-MOPGFXCFSA-N 1 0 371.868 3.575 20 30 FHEDRO CC(C)c1c(NC(=O)[C@H]([NH3+])CCCC#N)cnn1-c1ccc(Cl)cc1 ZINC000424164674 943770127 /nfs/dbraw/zinc/77/01/27/943770127.db2.gz CPBKXLOTULETIS-OAHLLOKOSA-N 1 0 359.861 3.609 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000424169324 943772747 /nfs/dbraw/zinc/77/27/47/943772747.db2.gz HLHODUCGGHTPCK-PMACEKPBSA-N 1 0 353.462 3.955 20 30 FHEDRO N#Cc1c(F)cc(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC000515310180 943775088 /nfs/dbraw/zinc/77/50/88/943775088.db2.gz PDSHDPNDRARCNE-UHFFFAOYSA-N 1 0 369.415 3.752 20 30 FHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000424259345 943809940 /nfs/dbraw/zinc/80/99/40/943809940.db2.gz XQNVDPLPMFERMT-SJORKVTESA-N 1 0 363.575 3.590 20 30 FHEDRO O=C(C#Cc1cccs1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000828025306 943842527 /nfs/dbraw/zinc/84/25/27/943842527.db2.gz GYGIGDMIINIAQE-UHFFFAOYSA-N 1 0 364.514 3.614 20 30 FHEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c(C(F)(F)F)c1 ZINC000516939955 943848673 /nfs/dbraw/zinc/84/86/73/943848673.db2.gz PEYKGESEHOQGEO-UHFFFAOYSA-N 1 0 360.383 3.862 20 30 FHEDRO N#Cc1ccc(CCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000032762295 943854742 /nfs/dbraw/zinc/85/47/42/943854742.db2.gz FNTMYUIACNFVQF-GOSISDBHSA-N 1 0 353.491 3.506 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000504868402 943857923 /nfs/dbraw/zinc/85/79/23/943857923.db2.gz FJCAAQJPRWSPSM-IBGZPJMESA-N 1 0 363.505 3.831 20 30 FHEDRO CSc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000515415919 943862502 /nfs/dbraw/zinc/86/25/02/943862502.db2.gz ZDWDUGWHNJFIGY-UWJYYQICSA-N 1 0 368.502 3.687 20 30 FHEDRO CSc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000515415918 943862958 /nfs/dbraw/zinc/86/29/58/943862958.db2.gz ZDWDUGWHNJFIGY-UTKZUKDTSA-N 1 0 368.502 3.687 20 30 FHEDRO Cc1ccc([C@H](CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000425442402 943930040 /nfs/dbraw/zinc/93/00/40/943930040.db2.gz JRYBXBCOOYDFEH-UTKZUKDTSA-N 1 0 364.493 3.872 20 30 FHEDRO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000517042534 943944819 /nfs/dbraw/zinc/94/48/19/943944819.db2.gz XPGLWLVOAOSKLB-IBGZPJMESA-N 1 0 365.525 3.674 20 30 FHEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000417910225 943946292 /nfs/dbraw/zinc/94/62/92/943946292.db2.gz FKAAOQNRQYRWOK-VQTJNVASSA-N 1 0 350.466 3.593 20 30 FHEDRO C[NH+](C)[C@@H](CNc1nc2cc(Cl)ccn2c1C#N)c1ccc(F)cc1 ZINC000517047408 943950395 /nfs/dbraw/zinc/95/03/95/943950395.db2.gz VHUIORIAQZXDFG-INIZCTEOSA-N 1 0 357.820 3.713 20 30 FHEDRO C[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000511640770 943959922 /nfs/dbraw/zinc/95/99/22/943959922.db2.gz OTPBSINZMWIDEC-INIZCTEOSA-N 1 0 367.468 3.612 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000437605154 943962356 /nfs/dbraw/zinc/96/23/56/943962356.db2.gz RIVAWPNEYCHAAO-GCJKJVERSA-N 1 0 358.526 3.764 20 30 FHEDRO COc1ccccc1C[N@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000515547161 943980786 /nfs/dbraw/zinc/98/07/86/943980786.db2.gz SLNKUNSAHCUNRE-NRFANRHFSA-N 1 0 366.461 3.627 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000500041770 943996723 /nfs/dbraw/zinc/99/67/23/943996723.db2.gz XPQGENNNHFEYHG-SJORKVTESA-N 1 0 362.477 3.993 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000500041764 943996834 /nfs/dbraw/zinc/99/68/34/943996834.db2.gz XPQGENNNHFEYHG-DLBZAZTESA-N 1 0 362.477 3.993 20 30 FHEDRO CC[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000436101849 944016792 /nfs/dbraw/zinc/01/67/92/944016792.db2.gz MLPQFJZBMLJSJO-JOCHJYFZSA-N 1 0 373.500 3.543 20 30 FHEDRO C=CCC1(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)CCOCC1 ZINC000425465975 944023365 /nfs/dbraw/zinc/02/33/65/944023365.db2.gz BHWSIWXJRQTFTL-UHFFFAOYSA-N 1 0 374.550 3.855 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H]([NH3+])C2)cc1Cl ZINC000414910848 944030076 /nfs/dbraw/zinc/03/00/76/944030076.db2.gz SGZXGNPNDRXCTG-YOEHRIQHSA-N 1 0 354.841 3.560 20 30 FHEDRO C=CCC1(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CCOCC1 ZINC000424644255 944030879 /nfs/dbraw/zinc/03/08/79/944030879.db2.gz RNNDCLAFVPCMEE-UHFFFAOYSA-N 1 0 370.537 3.526 20 30 FHEDRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2sccc21 ZINC000515599134 944036408 /nfs/dbraw/zinc/03/64/08/944036408.db2.gz HWPVZRMTVRNWON-ZMYBRWDISA-N 1 0 365.502 3.949 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)CCOCC1 ZINC000424681405 944044872 /nfs/dbraw/zinc/04/48/72/944044872.db2.gz OCTGQRUQTGGKOO-UHFFFAOYSA-N 1 0 372.509 3.781 20 30 FHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000417989186 944045478 /nfs/dbraw/zinc/04/54/78/944045478.db2.gz QIOAYCIQSNNQBJ-FXAWDEMLSA-N 1 0 362.477 3.542 20 30 FHEDRO C=C(C)C(C)(C)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000424683705 944046061 /nfs/dbraw/zinc/04/60/61/944046061.db2.gz QUPJATKLBUXAHM-UHFFFAOYSA-N 1 0 364.917 3.902 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417994159 944052160 /nfs/dbraw/zinc/05/21/60/944052160.db2.gz ORVPKBHQQADUFX-ACJLOTCBSA-N 1 0 372.419 3.568 20 30 FHEDRO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000424678142 944058485 /nfs/dbraw/zinc/05/84/85/944058485.db2.gz BHQLGZVYAGFTLN-SJLPKXTDSA-N 1 0 362.539 3.620 20 30 FHEDRO C=CC[C@H]1CCCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000660335166 944090452 /nfs/dbraw/zinc/09/04/52/944090452.db2.gz XVVNIIPHSFPBMW-FQEVSTJZSA-N 1 0 355.526 3.691 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000425497062 944128246 /nfs/dbraw/zinc/12/82/46/944128246.db2.gz XMGOZIIIXIDVAT-HNNXBMFYSA-N 1 0 368.456 3.662 20 30 FHEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2OCCC(C)C)c(C#N)c1C ZINC000436249606 944134754 /nfs/dbraw/zinc/13/47/54/944134754.db2.gz AFLQBJIOISMMBB-QZTJIDSGSA-N 1 0 361.486 3.670 20 30 FHEDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414915246 944171806 /nfs/dbraw/zinc/17/18/06/944171806.db2.gz YTJNTJGIOYVJQD-YOEHRIQHSA-N 1 0 356.857 3.854 20 30 FHEDRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414915268 944172266 /nfs/dbraw/zinc/17/22/66/944172266.db2.gz YUQQNBUKBRULSW-DYVFJYSZSA-N 1 0 356.857 3.806 20 30 FHEDRO CCOC(=O)COc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418137001 944191060 /nfs/dbraw/zinc/19/10/60/944191060.db2.gz BJBYWRQWRVPVDP-OAQYLSRUSA-N 1 0 364.445 3.667 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000500174758 944213045 /nfs/dbraw/zinc/21/30/45/944213045.db2.gz WBEXIISHAYSQAQ-NQIIRXRSSA-N 1 0 353.510 3.771 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000436343215 944220065 /nfs/dbraw/zinc/22/00/65/944220065.db2.gz VVQPXOLVDAFACZ-TZIWHRDSSA-N 1 0 371.525 3.818 20 30 FHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000436343212 944220104 /nfs/dbraw/zinc/22/01/04/944220104.db2.gz VVQPXOLVDAFACZ-PZJWPPBQSA-N 1 0 371.525 3.818 20 30 FHEDRO N#Cc1cccc(C#N)c1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000436385760 944255031 /nfs/dbraw/zinc/25/50/31/944255031.db2.gz OKQNNPVUMIHIMR-UHFFFAOYSA-N 1 0 364.424 3.524 20 30 FHEDRO Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)c2cc1C ZINC000425533059 944262431 /nfs/dbraw/zinc/26/24/31/944262431.db2.gz KCOGQXFJOWSEIK-PXNSSMCTSA-N 1 0 362.477 3.579 20 30 FHEDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000418211422 944269515 /nfs/dbraw/zinc/26/95/15/944269515.db2.gz IHEUGFLBWSWQIF-UZLBHIALSA-N 1 0 350.466 3.941 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000438025004 944293033 /nfs/dbraw/zinc/29/30/33/944293033.db2.gz UOZNSQABNUMVBO-WIYYLYMNSA-N 1 0 358.526 3.995 20 30 FHEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000184234296 944306661 /nfs/dbraw/zinc/30/66/61/944306661.db2.gz XYSVLUYTWZBXDH-UHFFFAOYSA-N 1 0 364.449 3.908 20 30 FHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)CCc1cccc(F)c1 ZINC000500236167 944315880 /nfs/dbraw/zinc/31/58/80/944315880.db2.gz MUBQAEOXXJLEDZ-UHFFFAOYSA-N 1 0 353.441 3.981 20 30 FHEDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000500236681 944317080 /nfs/dbraw/zinc/31/70/80/944317080.db2.gz BMZIYYFHHYLUSN-QFIPXVFZSA-N 1 0 361.489 3.949 20 30 FHEDRO C=CCC[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000439086016 944325432 /nfs/dbraw/zinc/32/54/32/944325432.db2.gz OGIRQUFDGCYNIV-INIZCTEOSA-N 1 0 351.288 3.513 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCCNc1nc2cc(C#N)c(C#N)cc2nc1Cl ZINC001167751142 944337196 /nfs/dbraw/zinc/33/71/96/944337196.db2.gz GJPVGSJGXVHYHY-CYBMUJFWSA-N 1 0 368.872 3.703 20 30 FHEDRO [NH3+]CC[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)F ZINC000414983333 944362156 /nfs/dbraw/zinc/36/21/56/944362156.db2.gz BTKNOFIEGLOQHS-SNVBAGLBSA-N 1 0 350.253 3.796 20 30 FHEDRO CCn1cc(NCCC[N@@H+]2CCCC[C@H]2C)c2sc(C#N)cc2c1=O ZINC001167753221 944370841 /nfs/dbraw/zinc/37/08/41/944370841.db2.gz FEFUZADVPGPVRQ-CQSZACIVSA-N 1 0 358.511 3.631 20 30 FHEDRO CC(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(O)c1 ZINC000436540201 944418780 /nfs/dbraw/zinc/41/87/80/944418780.db2.gz OKCRFXZFPHEHTK-UHFFFAOYSA-N 1 0 365.477 3.591 20 30 FHEDRO N#CCCCCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000517600764 944435108 /nfs/dbraw/zinc/43/51/08/944435108.db2.gz XDWZESWFMNUKSB-GOSISDBHSA-N 1 0 362.905 3.688 20 30 FHEDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000418346879 944443947 /nfs/dbraw/zinc/44/39/47/944443947.db2.gz IDIKJSYXOAPMJR-HXUWFJFHSA-N 1 0 350.466 3.523 20 30 FHEDRO N#CCOc1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000048514151 944446210 /nfs/dbraw/zinc/44/62/10/944446210.db2.gz LTIBJIBVSVVNMK-FQEVSTJZSA-N 1 0 364.449 3.548 20 30 FHEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH2+]CC)c1ccccc1 ZINC000414989729 944448833 /nfs/dbraw/zinc/44/88/33/944448833.db2.gz NXWPNTFFGDLFRX-LJQANCHMSA-N 1 0 365.477 3.558 20 30 FHEDRO CC1CC[NH+]([C@H](CNC(=O)c2cc(C#N)cs2)c2ccccc2)CC1 ZINC000438254844 944450311 /nfs/dbraw/zinc/45/03/11/944450311.db2.gz GABVRRYCNLUTQE-GOSISDBHSA-N 1 0 353.491 3.823 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2OCC(F)(F)F)CC1 ZINC000518513531 944458325 /nfs/dbraw/zinc/45/83/25/944458325.db2.gz CRMXMKHSXFOWMT-UHFFFAOYSA-N 1 0 371.403 3.790 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000660384898 944478247 /nfs/dbraw/zinc/47/82/47/944478247.db2.gz CUAQHWHEIIXFIK-OYRHEFFESA-N 1 0 353.510 3.852 20 30 FHEDRO C=CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H](C)COC ZINC000664841601 944492459 /nfs/dbraw/zinc/49/24/59/944492459.db2.gz RNEJSUFZVVNIBQ-QUCCMNQESA-N 1 0 373.541 3.520 20 30 FHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000543582326 944494559 /nfs/dbraw/zinc/49/45/59/944494559.db2.gz QKFCISFYKPTTNS-SFHVURJKSA-N 1 0 362.477 3.764 20 30 FHEDRO C#CCSCC[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000759835749 944496631 /nfs/dbraw/zinc/49/66/31/944496631.db2.gz VBYGMTZYKKZIFE-UHFFFAOYSA-N 1 0 357.523 3.770 20 30 FHEDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000439320069 944526062 /nfs/dbraw/zinc/52/60/62/944526062.db2.gz OAKJYHFOYBNVAW-QMMLZNLJSA-N 1 0 350.462 3.566 20 30 FHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759842864 944531505 /nfs/dbraw/zinc/53/15/05/944531505.db2.gz DXIYNMWIRUWWSN-LJQANCHMSA-N 1 0 362.832 3.533 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCc4cc(Cl)ccc43)C2=O)cc1 ZINC000506217568 944552356 /nfs/dbraw/zinc/55/23/56/944552356.db2.gz JKVYSMBURWXTGC-UXHICEINSA-N 1 0 365.864 3.984 20 30 FHEDRO FC(F)(F)C(F)(F)C(F)(F)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961123 944553816 /nfs/dbraw/zinc/55/38/16/944553816.db2.gz FLKWYBAHMMIHBL-YOGCLGLASA-N 1 0 362.333 3.814 20 30 FHEDRO CCc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1CC ZINC001125941756 944585472 /nfs/dbraw/zinc/58/54/72/944585472.db2.gz KAOYFKMNDSXXLN-UHFFFAOYSA-N 1 0 363.505 3.887 20 30 FHEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3Cl)C2)n1 ZINC000439439345 944617453 /nfs/dbraw/zinc/61/74/53/944617453.db2.gz MOFSBHCVDPOPNR-KRWDZBQOSA-N 1 0 368.868 3.766 20 30 FHEDRO C=CCC[N@@H+](C)Cc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000467370348 944626909 /nfs/dbraw/zinc/62/69/09/944626909.db2.gz PQXXZUYJVBUNJP-UHFFFAOYSA-N 1 0 370.287 3.707 20 30 FHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000516258108 944647169 /nfs/dbraw/zinc/64/71/69/944647169.db2.gz KHTHRYVQDHCMGP-UHFFFAOYSA-N 1 0 371.529 3.898 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ccc(C#N)o2)n1 ZINC000426395507 944655863 /nfs/dbraw/zinc/65/58/63/944655863.db2.gz JHTPJUWIFXTNMH-UHFFFAOYSA-N 1 0 352.394 3.589 20 30 FHEDRO CCCCCCCC(=O)N1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001270134523 944707406 /nfs/dbraw/zinc/70/74/06/944707406.db2.gz NYRCCLNKFCNIRP-UHFFFAOYSA-N 1 0 351.579 3.613 20 30 FHEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(I)cc2Cl)C1 ZINC000500394094 944739307 /nfs/dbraw/zinc/73/93/07/944739307.db2.gz LDIVCQIUDQOEGM-BXKDBHETSA-N 1 0 360.626 3.726 20 30 FHEDRO COc1cc(OC)cc(OCCC[N@H+](C)CC#Cc2ccc(F)cc2)c1 ZINC000438548343 944754960 /nfs/dbraw/zinc/75/49/60/944754960.db2.gz VOFCKEJNNOUVFR-UHFFFAOYSA-N 1 0 357.425 3.595 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000425643633 944756353 /nfs/dbraw/zinc/75/63/53/944756353.db2.gz IXUVLXSIERGAIB-UZLBHIALSA-N 1 0 350.466 3.564 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759895699 944768873 /nfs/dbraw/zinc/76/88/73/944768873.db2.gz HYRSOXCSNMTAMX-GOSISDBHSA-N 1 0 374.488 3.521 20 30 FHEDRO C=C(C)[C@H](NC(=O)N(CC)[C@H]1CC[N@H+](CC)C1)c1ccc(F)c(F)c1 ZINC000664702000 944777518 /nfs/dbraw/zinc/77/75/18/944777518.db2.gz LFXMJOLKHNAFRG-YJBOKZPZSA-N 1 0 351.441 3.708 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000425651624 944799173 /nfs/dbraw/zinc/79/91/73/944799173.db2.gz YIADERWBGSXPTQ-MGPUTAFESA-N 1 0 368.456 3.703 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415002807 944804260 /nfs/dbraw/zinc/80/42/60/944804260.db2.gz MMLOAMUTKCOKGE-UHFFFAOYSA-N 1 0 366.465 3.728 20 30 FHEDRO C[C@]12C[N@H+](CC(=O)Nc3ccccc3SCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000516395711 944814724 /nfs/dbraw/zinc/81/47/24/944814724.db2.gz FSTNJKTXZAHENQ-NARAOEGZSA-N 1 0 355.507 3.609 20 30 FHEDRO C[C@H]([N@@H+](Cc1ccccc1)C[C@@H]1CNc2c(C#N)cnn2C1)C(C)(C)C ZINC000517936932 944850126 /nfs/dbraw/zinc/85/01/26/944850126.db2.gz CKNHXZFRIUMAEW-WMZOPIPTSA-N 1 0 351.498 3.733 20 30 FHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000120720191 944854131 /nfs/dbraw/zinc/85/41/31/944854131.db2.gz JEAODROIALETHV-UHFFFAOYSA-N 1 0 354.450 3.996 20 30 FHEDRO COc1ccc(C[N@H+](C)C2Cc3ccccc3C2)cc1OCCCC#N ZINC000511662673 944869575 /nfs/dbraw/zinc/86/95/75/944869575.db2.gz BHXFVODINFWZAM-UHFFFAOYSA-N 1 0 350.462 3.977 20 30 FHEDRO N#Cc1c(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cccc1C(F)F ZINC000517960936 944875975 /nfs/dbraw/zinc/87/59/75/944875975.db2.gz LSBHTFIXALZUOR-HOTGVXAUSA-N 1 0 357.404 3.543 20 30 FHEDRO CC(C)(C)[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000507023777 944890707 /nfs/dbraw/zinc/89/07/07/944890707.db2.gz ZOQHEYUTZDNHGZ-HXUWFJFHSA-N 1 0 353.441 3.691 20 30 FHEDRO Cc1nc(C2CC2)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000518903173 944921962 /nfs/dbraw/zinc/92/19/62/944921962.db2.gz ATKSVTKHKZDQHM-UHFFFAOYSA-N 1 0 374.488 3.556 20 30 FHEDRO N#CCCCOc1cccc(CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000507091079 944928642 /nfs/dbraw/zinc/92/86/42/944928642.db2.gz XUSGXCOOIATOLU-UHFFFAOYSA-N 1 0 369.534 3.791 20 30 FHEDRO CCCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](COCCOC)CC[C@@H]2C1 ZINC001270164435 944956969 /nfs/dbraw/zinc/95/69/69/944956969.db2.gz WCDXYVVCUKZLLS-BGYRXZFFSA-N 1 0 368.562 3.528 20 30 FHEDRO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]21 ZINC001270163248 944967624 /nfs/dbraw/zinc/96/76/24/944967624.db2.gz AFYRRRFPFAFPLK-PKOBYXMFSA-N 1 0 359.514 3.571 20 30 FHEDRO Cc1cc(C#N)cc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000516544826 944991488 /nfs/dbraw/zinc/99/14/88/944991488.db2.gz JQOWRHSQSYZYFJ-QHCPKHFHSA-N 1 0 374.488 3.997 20 30 FHEDRO C=CCOc1c(Br)cc(C[N@@H+](CCOC)C2CC2)cc1OC ZINC000507160326 944994095 /nfs/dbraw/zinc/99/40/95/944994095.db2.gz LNKPPAOMZWZQAA-UHFFFAOYSA-N 1 0 370.287 3.633 20 30 FHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000426152669 945021295 /nfs/dbraw/zinc/02/12/95/945021295.db2.gz JDSYVEGMBUSFLK-INIZCTEOSA-N 1 0 356.857 3.506 20 30 FHEDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000437086692 945023532 /nfs/dbraw/zinc/02/35/32/945023532.db2.gz SGNKMUHPPSXKBZ-YLZJTPGZSA-N 1 0 365.477 3.873 20 30 FHEDRO COc1ccc(C[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000437086695 945023616 /nfs/dbraw/zinc/02/36/16/945023616.db2.gz SGNKMUHPPSXKBZ-YQHFOJDRSA-N 1 0 365.477 3.873 20 30 FHEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507199051 945024999 /nfs/dbraw/zinc/02/49/99/945024999.db2.gz DOASEDLEDVPYML-TZIWHRDSSA-N 1 0 370.537 3.634 20 30 FHEDRO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)Cc1cccc(C#N)c1 ZINC000507206017 945030200 /nfs/dbraw/zinc/03/02/00/945030200.db2.gz YHGUUWHLKCVUFH-UHFFFAOYSA-N 1 0 364.401 3.732 20 30 FHEDRO CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426152578 945030914 /nfs/dbraw/zinc/03/09/14/945030914.db2.gz HHQQLQXDWVVZGX-KRWDZBQOSA-N 1 0 368.868 3.950 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000426157291 945033259 /nfs/dbraw/zinc/03/32/59/945033259.db2.gz SBEADYLEAYPIGY-MRXNPFEDSA-N 1 0 356.857 3.506 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507212316 945044716 /nfs/dbraw/zinc/04/47/16/945044716.db2.gz VNFNTRCXUWMGND-HRAATJIYSA-N 1 0 359.489 3.523 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000426167269 945050709 /nfs/dbraw/zinc/05/07/09/945050709.db2.gz SGPLRHWGPAANMD-RHSMWYFYSA-N 1 0 368.868 3.996 20 30 FHEDRO C=CCC(C)(C)CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000432093519 945062721 /nfs/dbraw/zinc/06/27/21/945062721.db2.gz KUXDRIOUJPVPHW-ROUUACIJSA-N 1 0 373.541 3.697 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CC(C)C ZINC000544302324 945376442 /nfs/dbraw/zinc/37/64/42/945376442.db2.gz ZDERMQHOIUKJIC-NRFANRHFSA-N 1 0 370.541 3.989 20 30 FHEDRO Cc1c([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cnn1-c1ccc(F)cc1 ZINC000330203112 945400467 /nfs/dbraw/zinc/40/04/67/945400467.db2.gz AMJFSZSVOIISJQ-DJJJIMSYSA-N 1 0 356.445 3.964 20 30 FHEDRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000330216451 945406365 /nfs/dbraw/zinc/40/63/65/945406365.db2.gz HUNOBKYHPNADSN-YLVFBTJISA-N 1 0 352.862 3.791 20 30 FHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000330218946 945407643 /nfs/dbraw/zinc/40/76/43/945407643.db2.gz PAFTZTSDDZXSFF-RLLQIKCJSA-N 1 0 371.525 3.817 20 30 FHEDRO CC(C)CN(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000330226687 945412095 /nfs/dbraw/zinc/41/20/95/945412095.db2.gz OXICXNYPMMCNLT-WOJBJXKFSA-N 1 0 365.562 3.569 20 30 FHEDRO O=C(Nc1nccn1-c1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330232647 945415375 /nfs/dbraw/zinc/41/53/75/945415375.db2.gz FOYWWQNCQVLDCZ-UHFFFAOYSA-N 1 0 353.470 3.605 20 30 FHEDRO CC(C)C1CCC([NH+]2CCN(CCOc3ccccc3C#N)CC2)CC1 ZINC000440321599 945420214 /nfs/dbraw/zinc/42/02/14/945420214.db2.gz BATCUXCMJDWFRG-UHFFFAOYSA-N 1 0 355.526 3.769 20 30 FHEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000330251139 945425299 /nfs/dbraw/zinc/42/52/99/945425299.db2.gz NHNIZOUZTISTRA-SFHVURJKSA-N 1 0 359.514 3.980 20 30 FHEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1Br ZINC000330258636 945429376 /nfs/dbraw/zinc/42/93/76/945429376.db2.gz MQJPCSISNARLHJ-LKTVYLICSA-N 1 0 353.260 3.583 20 30 FHEDRO COc1ccc(C)cc1C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCOCC1 ZINC000330260316 945431575 /nfs/dbraw/zinc/43/15/75/945431575.db2.gz OFHMHZHVTGFIGL-IBGZPJMESA-N 1 0 372.509 3.635 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000120875504 945438496 /nfs/dbraw/zinc/43/84/96/945438496.db2.gz BRIDJAAYTAMLKV-MLGOLLRUSA-N 1 0 368.403 3.771 20 30 FHEDRO O=C(CC1(O)CCCCC1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000330274362 945439022 /nfs/dbraw/zinc/43/90/22/945439022.db2.gz JYXSTHGAFRAVKN-GOSISDBHSA-N 1 0 362.539 3.646 20 30 FHEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cccc3c2CCC3)CC1 ZINC000330282327 945444146 /nfs/dbraw/zinc/44/41/46/945444146.db2.gz VGOBCMAGUUDGSE-UHFFFAOYSA-N 1 0 371.525 3.947 20 30 FHEDRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1coc(C2CCCC2)n1 ZINC000330287533 945446660 /nfs/dbraw/zinc/44/66/60/945446660.db2.gz CKOLOEKDQCNKET-UHFFFAOYSA-N 1 0 354.454 3.696 20 30 FHEDRO CCn1ccnc1[C@H]1CCCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000280881526 945449390 /nfs/dbraw/zinc/44/93/90/945449390.db2.gz CQALKTIWIZHJLO-HXUWFJFHSA-N 1 0 351.498 3.980 20 30 FHEDRO CCn1ccnc1[C@@H]1CCCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000280881522 945449546 /nfs/dbraw/zinc/44/95/46/945449546.db2.gz CQALKTIWIZHJLO-FQEVSTJZSA-N 1 0 351.498 3.980 20 30 FHEDRO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]2CCO[C@@H]2C(C)C)c(C)c1 ZINC000330293329 945461969 /nfs/dbraw/zinc/46/19/69/945461969.db2.gz HRZOTZBLIATWIP-JFIYKMOQSA-N 1 0 361.486 3.845 20 30 FHEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000330299601 945469963 /nfs/dbraw/zinc/46/99/63/945469963.db2.gz IBTCYWNPCFMJST-WBVHZDCISA-N 1 0 370.415 3.582 20 30 FHEDRO FC(F)(F)Cn1ccnc1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000262015079 945498775 /nfs/dbraw/zinc/49/87/75/945498775.db2.gz VQSGBASBAROEBG-UHFFFAOYSA-N 1 0 365.403 3.899 20 30 FHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)o2)cc1 ZINC000281065632 945515065 /nfs/dbraw/zinc/51/50/65/945515065.db2.gz SKSKANINAHRDNE-IPMKNSEASA-N 1 0 366.465 3.514 20 30 FHEDRO CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(C(=O)c3ccccc3C#N)C2)C1 ZINC001270803256 945553415 /nfs/dbraw/zinc/55/34/15/945553415.db2.gz JSAFRARGWVYNIX-GOSISDBHSA-N 1 0 353.510 3.923 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000025664023 945553466 /nfs/dbraw/zinc/55/34/66/945553466.db2.gz NDVGYLLYTPSXAX-GUYCJALGSA-N 1 0 364.367 3.668 20 30 FHEDRO N#CC1(CCCN2CCCC[C@H]2C(=O)OCc2ccccc2)CCOCC1 ZINC000281230867 945569083 /nfs/dbraw/zinc/56/90/83/945569083.db2.gz FJFDQCSRPPLMAD-FQEVSTJZSA-N 1 0 370.493 3.685 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001126010325 945588532 /nfs/dbraw/zinc/58/85/32/945588532.db2.gz ZJFBOXMBXIKPQQ-SFTDATJTSA-N 1 0 356.510 3.660 20 30 FHEDRO CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000330332511 945600263 /nfs/dbraw/zinc/60/02/63/945600263.db2.gz PABCZYBBORILAN-FBBABVLZSA-N 1 0 373.541 3.777 20 30 FHEDRO N#Cc1ccc(C[NH2+]CCc2cnc(SC3CCCC3)nc2)c(F)c1 ZINC000550309581 945613512 /nfs/dbraw/zinc/61/35/12/945613512.db2.gz DHRVDKZIGPPWMQ-UHFFFAOYSA-N 1 0 356.470 3.854 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(C)cc1 ZINC000027311764 945694743 /nfs/dbraw/zinc/69/47/43/945694743.db2.gz NICWTKZZLPUNNZ-UHFFFAOYSA-O 1 0 361.437 3.665 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(CC)cc1)[n+]1ccc(C)cc1 ZINC000027311881 945695048 /nfs/dbraw/zinc/69/50/48/945695048.db2.gz MNMMBNRNYBUENH-UHFFFAOYSA-O 1 0 353.511 3.949 20 30 FHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000519737766 945703803 /nfs/dbraw/zinc/70/38/03/945703803.db2.gz YRGDPPAOORIWIT-UHFFFAOYSA-N 1 0 366.440 3.526 20 30 FHEDRO CCCNC(=S)C(C(=O)c1cc2ccccc2o1)[n+]1ccc(C)cc1 ZINC000027318609 945708024 /nfs/dbraw/zinc/70/80/24/945708024.db2.gz YYSVLMQXUMUVDM-UHFFFAOYSA-O 1 0 353.467 3.967 20 30 FHEDRO CCCCNC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccccc1CC ZINC000027324080 945709155 /nfs/dbraw/zinc/70/91/55/945709155.db2.gz OHGSXLPFIIYDMM-UHFFFAOYSA-O 1 0 371.526 3.874 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]2CCC[C@@H]21 ZINC000550071353 945709427 /nfs/dbraw/zinc/70/94/27/945709427.db2.gz YNYIFGOFZCNPKI-HOTGVXAUSA-N 1 0 357.523 3.948 20 30 FHEDRO Cc1cc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)c(C)[nH]1 ZINC000027329210 945711673 /nfs/dbraw/zinc/71/16/73/945711673.db2.gz QCRCKQMKDHLPJF-UHFFFAOYSA-O 1 0 356.515 3.780 20 30 FHEDRO CC1(C)CCCN(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000444009655 945720121 /nfs/dbraw/zinc/72/01/21/945720121.db2.gz CLPQWJLFQZDBMT-UHFFFAOYSA-N 1 0 365.525 3.675 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000661115813 945738642 /nfs/dbraw/zinc/73/86/42/945738642.db2.gz FDSGCRKSZNAWRK-ZBFHGGJFSA-N 1 0 362.495 3.846 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000661116748 945747819 /nfs/dbraw/zinc/74/78/19/945747819.db2.gz ZTXMAMVHGFCKCY-YLJYHZDGSA-N 1 0 369.509 3.867 20 30 FHEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000661116747 945747938 /nfs/dbraw/zinc/74/79/38/945747938.db2.gz ZTXMAMVHGFCKCY-XLIONFOSSA-N 1 0 369.509 3.867 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000661116509 945748783 /nfs/dbraw/zinc/74/87/83/945748783.db2.gz YQMOAXHIAKJZJR-YJBOKZPZSA-N 1 0 363.465 3.746 20 30 FHEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000281685446 945810669 /nfs/dbraw/zinc/81/06/69/945810669.db2.gz MQASFOLMWZPJJL-HNNXBMFYSA-N 1 0 351.450 3.841 20 30 FHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(C#N)cc1Cl ZINC000439692254 945868188 /nfs/dbraw/zinc/86/81/88/945868188.db2.gz JBTIAXZBAFIGTH-KRWDZBQOSA-N 1 0 354.885 3.955 20 30 FHEDRO CC1(C)CN(CC#CCN2CC(C)(C)[C@H]2c2cccnc2)[C@H]1c1cccnc1 ZINC000664825023 945884190 /nfs/dbraw/zinc/88/41/90/945884190.db2.gz ZNYUMDJZACLYTN-SZPZYZBQSA-N 1 0 374.532 3.946 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCC3(CCCCC3)O2)cc1Cl ZINC000262391668 945899759 /nfs/dbraw/zinc/89/97/59/945899759.db2.gz POMDKLUKQHQPDE-AWEZNQCLSA-N 1 0 351.878 3.957 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000127080554 945924150 /nfs/dbraw/zinc/92/41/50/945924150.db2.gz QCZVPUZJVYAVAR-GAJHUEQPSA-N 1 0 373.456 3.916 20 30 FHEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000651796834 945950567 /nfs/dbraw/zinc/95/05/67/945950567.db2.gz FRMOFWGUGCDZFL-SWLSCSKDSA-N 1 0 361.429 3.943 20 30 FHEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)C1 ZINC000651796892 945950616 /nfs/dbraw/zinc/95/06/16/945950616.db2.gz JETQLIBDEDSFCH-FXCLAUTBSA-N 1 0 367.493 3.746 20 30 FHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc4ncccc4c3)CC2)nc1 ZINC000125426117 946001545 /nfs/dbraw/zinc/00/15/45/946001545.db2.gz FWURFHZWYVCKFS-UHFFFAOYSA-N 1 0 358.445 3.981 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000520042244 946042455 /nfs/dbraw/zinc/04/24/55/946042455.db2.gz SDZCUDRHJOUBHE-IBGZPJMESA-N 1 0 358.526 3.960 20 30 FHEDRO CC1(C)[C@H](NC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)[C@H]2CCCO[C@@H]21 ZINC000262408449 946068769 /nfs/dbraw/zinc/06/87/69/946068769.db2.gz WYHKUEFAYCPXAQ-MCIONIFRSA-N 1 0 357.376 3.515 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000661419516 946089082 /nfs/dbraw/zinc/08/90/82/946089082.db2.gz RJWVXWSCOLERFR-NHCUHLMSSA-N 1 0 370.541 3.728 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)NCC2CCC(C#N)CC2)cc1 ZINC000441002199 946101921 /nfs/dbraw/zinc/10/19/21/946101921.db2.gz RJUXXTSQEPODNK-UHFFFAOYSA-N 1 0 356.514 3.658 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCC1CCC(C#N)CC1)C1CC1 ZINC000441014889 946117778 /nfs/dbraw/zinc/11/77/78/946117778.db2.gz PWUMUEBDFROZDG-WIXQSORDSA-N 1 0 368.525 3.526 20 30 FHEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103165180 946227181 /nfs/dbraw/zinc/22/71/81/946227181.db2.gz UMXYUACIGUCOGN-HZPDHXFCSA-N 1 0 356.441 3.746 20 30 FHEDRO CC(C)C[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000520172445 946227291 /nfs/dbraw/zinc/22/72/91/946227291.db2.gz IJNMRGHALMDNSH-LJQANCHMSA-N 1 0 356.441 3.595 20 30 FHEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103165176 946227467 /nfs/dbraw/zinc/22/74/67/946227467.db2.gz UMXYUACIGUCOGN-CVEARBPZSA-N 1 0 356.441 3.746 20 30 FHEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000520173253 946229729 /nfs/dbraw/zinc/22/97/29/946229729.db2.gz ZSRQOQABIVBUJT-UHFFFAOYSA-N 1 0 372.472 3.535 20 30 FHEDRO C#Cc1cccc(NC(=O)CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)c1 ZINC000302666489 946274241 /nfs/dbraw/zinc/27/42/41/946274241.db2.gz MRCHIMMCPDBJJC-UHFFFAOYSA-N 1 0 374.400 3.508 20 30 FHEDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000520214703 946278671 /nfs/dbraw/zinc/27/86/71/946278671.db2.gz VEISMQCRARAFFF-UHFFFAOYSA-N 1 0 365.477 3.532 20 30 FHEDRO C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)NCc1sccc1C ZINC000262422058 946313408 /nfs/dbraw/zinc/31/34/08/946313408.db2.gz RBDRLQMRHRKYOJ-UHFFFAOYSA-N 1 0 354.479 3.885 20 30 FHEDRO C[C@H]1[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000520274163 946329094 /nfs/dbraw/zinc/32/90/94/946329094.db2.gz AFZFMIZFZOKLCW-LAUBAEHRSA-N 1 0 361.489 3.881 20 30 FHEDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543869695 946349308 /nfs/dbraw/zinc/34/93/08/946349308.db2.gz AWIQIQIUOZXUGK-ZDUSSCGKSA-N 1 0 361.367 3.554 20 30 FHEDRO C[NH+](C)CCOc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 ZINC000475472161 946354602 /nfs/dbraw/zinc/35/46/02/946354602.db2.gz VYVQDCKOVQURBL-GOSISDBHSA-N 1 0 351.450 3.653 20 30 FHEDRO CCc1cccc2c(CCNC(=[NH2+])N[C@@H]3CCOc4ccccc43)c[nH]c21 ZINC000262511740 946369905 /nfs/dbraw/zinc/36/99/05/946369905.db2.gz DHNZJVRQHQQFQX-LJQANCHMSA-N 1 0 362.477 3.701 20 30 FHEDRO Cc1ccccc1C[NH+]1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000609669430 946374792 /nfs/dbraw/zinc/37/47/92/946374792.db2.gz BQATWSOQLHVXQS-UHFFFAOYSA-N 1 0 360.383 3.603 20 30 FHEDRO [NH2+]=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)Nc1ccccn1 ZINC000262516063 946494460 /nfs/dbraw/zinc/49/44/60/946494460.db2.gz GLIHPBBQEMURON-KRWDZBQOSA-N 1 0 357.889 3.516 20 30 FHEDRO [NH2+]=C(NCCc1ccc(F)cc1Cl)Nc1ccc2c(c1)OCCCO2 ZINC000262515999 946494741 /nfs/dbraw/zinc/49/47/41/946494741.db2.gz GICJQDMRRBHFCQ-UHFFFAOYSA-N 1 0 363.820 3.610 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000066905437 946504357 /nfs/dbraw/zinc/50/43/57/946504357.db2.gz CXGHCDLKHMCMGL-BJKOFHAPSA-N 1 0 370.452 3.885 20 30 FHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCCn2ccnc2)c1 ZINC000066905407 946505242 /nfs/dbraw/zinc/50/52/42/946505242.db2.gz BMCXPXCEQITXFK-UHFFFAOYSA-N 1 0 360.461 3.904 20 30 FHEDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000441371807 946522239 /nfs/dbraw/zinc/52/22/39/946522239.db2.gz ALDUTUBMPSCPJL-YADHBBJMSA-N 1 0 361.489 3.751 20 30 FHEDRO C=CC1CCN(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)CC1 ZINC000520392683 946536921 /nfs/dbraw/zinc/53/69/21/946536921.db2.gz MKCNRKSFPBYNHX-FQEVSTJZSA-N 1 0 359.514 3.686 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000186556120 946552005 /nfs/dbraw/zinc/55/20/05/946552005.db2.gz QGWNXXOQAYKKOY-MRXNPFEDSA-N 1 0 357.473 3.814 20 30 FHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000532584857 946556737 /nfs/dbraw/zinc/55/67/37/946556737.db2.gz ZJWOERBWXWORSG-CTNGQTDRSA-N 1 0 361.489 3.886 20 30 FHEDRO COc1ccc(CCNC(=[NH2+])NCc2ccccc2OC2CCCC2)cc1 ZINC000303393494 946568863 /nfs/dbraw/zinc/56/88/63/946568863.db2.gz ZVFPIMRACSFHCN-UHFFFAOYSA-N 1 0 367.493 3.664 20 30 FHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2nc3cccc(Cl)c3n2C)cc1 ZINC000262448269 946620218 /nfs/dbraw/zinc/62/02/18/946620218.db2.gz DMNCVOZVYANEDA-UHFFFAOYSA-N 1 0 371.872 3.941 20 30 FHEDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000661780785 946627503 /nfs/dbraw/zinc/62/75/03/946627503.db2.gz YGFUGHJLNPKKHR-PKOBYXMFSA-N 1 0 361.411 3.791 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(Cn3cncn3)CC2)cc1 ZINC000186219691 946630014 /nfs/dbraw/zinc/63/00/14/946630014.db2.gz UIKFFCIILVCQHS-UHFFFAOYSA-N 1 0 357.461 3.729 20 30 FHEDRO COc1cc2c(cc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)O[C@@H](C)C2 ZINC000237298950 946649900 /nfs/dbraw/zinc/64/99/00/946649900.db2.gz NYRGOFXXQPKSBE-LSDHHAIUSA-N 1 0 352.434 3.599 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]C[C@H](c1ccccc1OC)N1CCCC1 ZINC000025361649 946662335 /nfs/dbraw/zinc/66/23/35/946662335.db2.gz PFOYRTZRPIRAEJ-OAQYLSRUSA-N 1 0 364.489 3.634 20 30 FHEDRO C=CCNC(=O)c1ccc(NC[C@H](c2ccsc2)[NH+](CC)CC)nc1 ZINC000112514304 946666101 /nfs/dbraw/zinc/66/61/01/946666101.db2.gz IOMZENOROGAQTD-QGZVFWFLSA-N 1 0 358.511 3.554 20 30 FHEDRO CC(C)N(CC[NH+](C)C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000151944446 946669931 /nfs/dbraw/zinc/66/99/31/946669931.db2.gz FIHJPMCKBHSMFV-UHFFFAOYSA-N 1 0 365.477 3.549 20 30 FHEDRO COc1cccc(NC(=[NH2+])NCC2(c3ccccc3Br)CC2)c1 ZINC000262526304 946675489 /nfs/dbraw/zinc/67/54/89/946675489.db2.gz KXQNRVDBOAJUNT-UHFFFAOYSA-N 1 0 374.282 3.916 20 30 FHEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1N1CCOCC1 ZINC000596979804 946683871 /nfs/dbraw/zinc/68/38/71/946683871.db2.gz IGLCEVFIYFLKJL-UHFFFAOYSA-N 1 0 361.489 3.710 20 30 FHEDRO C[C@H](NC(=[NH2+])NCc1cccnc1N(C)C)c1ccc(Cl)cc1Cl ZINC000303898509 946728437 /nfs/dbraw/zinc/72/84/37/946728437.db2.gz QZRSVPSJJYHOSF-NSHDSACASA-N 1 0 366.296 3.620 20 30 FHEDRO C[C@H](NC(=[NH2+])NC[C@](C)(O)c1ccsc1)c1ccc(Cl)cc1Cl ZINC000262528089 946729743 /nfs/dbraw/zinc/72/97/43/946729743.db2.gz MBDIYYMSQMKZMX-QFYYESIMSA-N 1 0 372.321 3.928 20 30 FHEDRO C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N(C)c1ccccc1 ZINC000303907901 946734093 /nfs/dbraw/zinc/73/40/93/946734093.db2.gz XFMWNJVXEUZOPA-CYBMUJFWSA-N 1 0 366.387 3.837 20 30 FHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000909598822 946740675 /nfs/dbraw/zinc/74/06/75/946740675.db2.gz ACPOCFLFEQQVFR-UHFFFAOYSA-N 1 0 351.425 3.738 20 30 FHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(COC(C)(C)C)c2)c1 ZINC000303984236 946753719 /nfs/dbraw/zinc/75/37/19/946753719.db2.gz RWLUDMGENNXDOK-UHFFFAOYSA-N 1 0 371.481 3.946 20 30 FHEDRO N#CCc1cccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000840824645 946773238 /nfs/dbraw/zinc/77/32/38/946773238.db2.gz YMQJBYFMGNTKSC-UHFFFAOYSA-N 1 0 364.518 3.704 20 30 FHEDRO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000188444933 946780415 /nfs/dbraw/zinc/78/04/15/946780415.db2.gz UUBUDQSQCLMRKC-FQEVSTJZSA-N 1 0 364.917 3.902 20 30 FHEDRO C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)Oc1ccccc1F ZINC000304777068 946795041 /nfs/dbraw/zinc/79/50/41/946795041.db2.gz DKCBICQTLDPIKJ-NSHDSACASA-N 1 0 371.334 3.918 20 30 FHEDRO COCCCOc1cc(C)ccc1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000304933779 946799745 /nfs/dbraw/zinc/79/97/45/946799745.db2.gz GIGZNTLRKHGVRG-UHFFFAOYSA-N 1 0 367.493 3.826 20 30 FHEDRO CCc1cccc(NC(=[NH2+])NCc2ccc(C)cc2O[C@@H]2CCOC2)c1 ZINC000305059607 946809450 /nfs/dbraw/zinc/80/94/50/946809450.db2.gz PMYPTFAFJQZIRP-LJQANCHMSA-N 1 0 353.466 3.652 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000894988268 946826147 /nfs/dbraw/zinc/82/61/47/946826147.db2.gz ZAAJXEOXMFUZAJ-UHFFFAOYSA-N 1 0 351.328 3.792 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+](C)C)cc1 ZINC000049799187 946845643 /nfs/dbraw/zinc/84/56/43/946845643.db2.gz BOLSNEFAOLRMIE-NRFANRHFSA-N 1 0 364.493 3.565 20 30 FHEDRO C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(Cl)cc3C#N)CC2)C1 ZINC000186679306 946847395 /nfs/dbraw/zinc/84/73/95/946847395.db2.gz GHSUKMRXMUGVRO-HNNXBMFYSA-N 1 0 359.901 3.682 20 30 FHEDRO C#CCOc1ccc(C[NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)cc1 ZINC000237316715 946860769 /nfs/dbraw/zinc/86/07/69/946860769.db2.gz OSCPNIVNHIPMIC-QHCPKHFHSA-N 1 0 364.489 3.634 20 30 FHEDRO Cc1cccc2[nH]c(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)nc21 ZINC000305737998 946863797 /nfs/dbraw/zinc/86/37/97/946863797.db2.gz YTBHRHFVDZJCQB-UHFFFAOYSA-N 1 0 363.343 3.697 20 30 FHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550391236 946894477 /nfs/dbraw/zinc/89/44/77/946894477.db2.gz ALXYQWNROCHPQP-IBGZPJMESA-N 1 0 369.852 3.694 20 30 FHEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000550386896 946908886 /nfs/dbraw/zinc/90/88/86/946908886.db2.gz OMYBAOFKPYFBBM-LJQANCHMSA-N 1 0 360.461 3.760 20 30 FHEDRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)nn1-c1cccc(C#N)c1 ZINC001142008275 946913834 /nfs/dbraw/zinc/91/38/34/946913834.db2.gz VAXSBOVVZKENDV-UHFFFAOYSA-N 1 0 373.460 3.675 20 30 FHEDRO N#C[C@@H](c1ccccc1)N1CC[NH+](CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC001167785194 946928480 /nfs/dbraw/zinc/92/84/80/946928480.db2.gz RROCHDHJGHMQRR-SFTDATJTSA-N 1 0 353.510 3.608 20 30 FHEDRO Cc1csc([C@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000328605603 946955249 /nfs/dbraw/zinc/95/52/49/946955249.db2.gz JTPFMXDTDYTSDE-RHSMWYFYSA-N 1 0 364.559 3.856 20 30 FHEDRO Cc1nc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)sc1C ZINC000328612855 946958236 /nfs/dbraw/zinc/95/82/36/946958236.db2.gz PVDBRMNRVYFPGM-MRXNPFEDSA-N 1 0 350.532 3.561 20 30 FHEDRO CCN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CC[N@H+](CC)C1 ZINC000598038596 946958481 /nfs/dbraw/zinc/95/84/81/946958481.db2.gz DYMFXSCBJXWMOO-KRWDZBQOSA-N 1 0 352.482 3.501 20 30 FHEDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 ZINC000328641975 946962299 /nfs/dbraw/zinc/96/22/99/946962299.db2.gz DOBVPLLYKIKMKM-AOCRQIFASA-N 1 0 363.546 3.633 20 30 FHEDRO COC1CCC(CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000328651494 946965051 /nfs/dbraw/zinc/96/50/51/946965051.db2.gz JVUWHGWDUGZNPU-UHFFFAOYSA-N 1 0 365.562 3.738 20 30 FHEDRO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000328672398 946974587 /nfs/dbraw/zinc/97/45/87/946974587.db2.gz OGRBBXWHJLJDJJ-FNHZYXHNSA-N 1 0 358.482 3.781 20 30 FHEDRO CN1CC[C@H](NC(=O)[C@@H]2CCc3cnn(C)c3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000328687824 946988109 /nfs/dbraw/zinc/98/81/09/946988109.db2.gz ZIZZNKMZGJOAPT-LJHODMEESA-N 1 0 372.900 3.580 20 30 FHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)cc1 ZINC000237163965 946993306 /nfs/dbraw/zinc/99/33/06/946993306.db2.gz WVODCXZQGHRSCF-FQEVSTJZSA-N 1 0 358.432 3.759 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)c2coc(C3CCOCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000328743508 947007432 /nfs/dbraw/zinc/00/74/32/947007432.db2.gz NLOPKKYMKVFUMC-CRAIPNDOSA-N 1 0 369.465 3.536 20 30 FHEDRO Cn1nccc1[C@@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000328747069 947008334 /nfs/dbraw/zinc/00/83/34/947008334.db2.gz PXOMGOVAYSRXHN-IGDKPHCXSA-N 1 0 356.514 3.525 20 30 FHEDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)c2ncccc12 ZINC000328763331 947017449 /nfs/dbraw/zinc/01/74/49/947017449.db2.gz ZKJJQPCMHSUAND-AWEZNQCLSA-N 1 0 373.884 3.694 20 30 FHEDRO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508502466 947023498 /nfs/dbraw/zinc/02/34/98/947023498.db2.gz BAGUAZDXUMKBLK-LJQANCHMSA-N 1 0 367.541 3.862 20 30 FHEDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1coc(C2CCOCC2)n1 ZINC000328805098 947028808 /nfs/dbraw/zinc/02/88/08/947028808.db2.gz NCKPXFSCTWPWON-UHFFFAOYSA-N 1 0 369.465 3.538 20 30 FHEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000444609863 947035413 /nfs/dbraw/zinc/03/54/13/947035413.db2.gz NYGPEKAOMLTEHO-UHFFFAOYSA-N 1 0 361.493 3.949 20 30 FHEDRO C[C@@H]([NH2+]C1(CNC(=O)N(C)C2CCCC2)CCOCC1)c1ccccc1 ZINC000328786057 947045706 /nfs/dbraw/zinc/04/57/06/947045706.db2.gz IZSFRFDICKXNKW-QGZVFWFLSA-N 1 0 359.514 3.675 20 30 FHEDRO CN(C(=O)c1cc2ccccc2n1CC#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000614548006 947047074 /nfs/dbraw/zinc/04/70/74/947047074.db2.gz QWDWILZBHIMPDR-UHFFFAOYSA-N 1 0 366.509 3.891 20 30 FHEDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328789935 947048569 /nfs/dbraw/zinc/04/85/69/947048569.db2.gz QBSSHZYASDIJFW-DOTOQJQBSA-N 1 0 374.481 3.573 20 30 FHEDRO Cc1ccc(C(=O)N2CCC(NC(=O)CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000328799415 947051449 /nfs/dbraw/zinc/05/14/49/947051449.db2.gz XOGFZBDPHIDTIY-SFHVURJKSA-N 1 0 371.525 3.821 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000328829341 947054573 /nfs/dbraw/zinc/05/45/73/947054573.db2.gz UDLQJFSLOXAYOO-OAHLLOKOSA-N 1 0 365.543 3.771 20 30 FHEDRO O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000328860660 947070528 /nfs/dbraw/zinc/07/05/28/947070528.db2.gz AKPGSDZDQYZGEV-MJGOQNOKSA-N 1 0 373.472 3.685 20 30 FHEDRO CCC[NH+]1CCC(CNC(=O)c2sc([C@@H]3CCCOC3)nc2C)CC1 ZINC000328871598 947078115 /nfs/dbraw/zinc/07/81/15/947078115.db2.gz QBVCOWFIFHGXRB-MRXNPFEDSA-N 1 0 365.543 3.772 20 30 FHEDRO Cc1cccc2[nH]cc(CCNC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)c21 ZINC000328877782 947079193 /nfs/dbraw/zinc/07/91/93/947079193.db2.gz UHFRZNIBMBIIAU-IBGZPJMESA-N 1 0 368.525 3.597 20 30 FHEDRO Cn1cc([C@@H]2CCC[N@@H+]2CCC(=O)N[C@H]2CCCc3ccccc32)cn1 ZINC000328936119 947092190 /nfs/dbraw/zinc/09/21/90/947092190.db2.gz JJJFRQVIMORBJW-PMACEKPBSA-N 1 0 352.482 3.981 20 30 FHEDRO COC(=O)[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H]1C ZINC000444700370 947127617 /nfs/dbraw/zinc/12/76/17/947127617.db2.gz GARFAROHGVUCTN-WIYYLYMNSA-N 1 0 362.473 3.770 20 30 FHEDRO C=CCN(Cc1ccccc1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000049798693 947156874 /nfs/dbraw/zinc/15/68/74/947156874.db2.gz ZLTPZFKGWBLJEE-OAQYLSRUSA-N 1 0 367.493 3.696 20 30 FHEDRO CCOC(=O)c1cc(C)sc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000330405950 947168496 /nfs/dbraw/zinc/16/84/96/947168496.db2.gz QQSIZHWRZSROHO-GXTWGEPZSA-N 1 0 367.515 3.583 20 30 FHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000444745891 947182452 /nfs/dbraw/zinc/18/24/52/947182452.db2.gz UAXMZZNRLXTJNF-AHIWAGSCSA-N 1 0 366.303 3.543 20 30 FHEDRO CC(C)Cn1ncc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1C(F)F ZINC000330498446 947190312 /nfs/dbraw/zinc/19/03/12/947190312.db2.gz BCOYVPKSDSTUHJ-UHFFFAOYSA-N 1 0 357.449 3.675 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)C[C@H]1C ZINC000330501567 947203493 /nfs/dbraw/zinc/20/34/93/947203493.db2.gz UXLKYNHQAJYIEN-KGLIPLIRSA-N 1 0 371.476 3.827 20 30 FHEDRO C=CC[NH+]1CCC(Nc2nc(C)nc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000301173179 947215885 /nfs/dbraw/zinc/21/58/85/947215885.db2.gz KSKLWUMNEAHQPS-UHFFFAOYSA-N 1 0 374.510 3.547 20 30 FHEDRO C=C(C)C[NH+]1CCC(Nc2nc(C)nc3sc(C(=O)OC)c(C)c32)CC1 ZINC000301197514 947228660 /nfs/dbraw/zinc/22/86/60/947228660.db2.gz ZWWBMONAFFKXTE-UHFFFAOYSA-N 1 0 374.510 3.547 20 30 FHEDRO C=CC[C@H]1[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CCCC1(C)C ZINC000444794456 947232725 /nfs/dbraw/zinc/23/27/25/947232725.db2.gz VXDDGLNFJZYWND-GOSISDBHSA-N 1 0 350.528 3.504 20 30 FHEDRO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000444798788 947234665 /nfs/dbraw/zinc/23/46/65/947234665.db2.gz GGRCIIRGLWJFBA-HXUWFJFHSA-N 1 0 368.502 3.624 20 30 FHEDRO C=CCn1c(CCCC)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508508550 947242829 /nfs/dbraw/zinc/24/28/29/947242829.db2.gz XAZQIELSCXMNMU-HXUWFJFHSA-N 1 0 367.541 3.765 20 30 FHEDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330705537 947253527 /nfs/dbraw/zinc/25/35/27/947253527.db2.gz NQJWJFIJTQBHTQ-CHWSQXEVSA-N 1 0 351.472 3.883 20 30 FHEDRO COc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1C(C)C ZINC000330707727 947254967 /nfs/dbraw/zinc/25/49/67/947254967.db2.gz MWIZQLXGQWJTIO-ZBFHGGJFSA-N 1 0 363.502 3.787 20 30 FHEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000330708166 947255092 /nfs/dbraw/zinc/25/50/92/947255092.db2.gz NKBSAXYDEWMLOM-OAHLLOKOSA-N 1 0 360.502 3.551 20 30 FHEDRO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000523451382 947255500 /nfs/dbraw/zinc/25/55/00/947255500.db2.gz BJYIBVODOLFAJZ-FDDCHVKYSA-N 1 0 361.489 3.956 20 30 FHEDRO CC[NH+]1CCC(NC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CC1 ZINC000330821223 947280590 /nfs/dbraw/zinc/28/05/90/947280590.db2.gz SZSAUIBPBXOLKI-UHFFFAOYSA-N 1 0 355.429 3.952 20 30 FHEDRO C[C@H]([C@H](C)NC(=O)Nc1cccc(C(F)F)c1Cl)N1CCOCC1 ZINC000330859311 947286466 /nfs/dbraw/zinc/28/64/66/947286466.db2.gz RFBKXCSGPCUSIQ-WDEREUQCSA-N 1 0 361.820 3.713 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)CC1 ZINC000728838042 947291015 /nfs/dbraw/zinc/29/10/15/947291015.db2.gz TVDYEPFKWHYBBH-UHFFFAOYSA-N 1 0 359.520 3.772 20 30 FHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000523489447 947305676 /nfs/dbraw/zinc/30/56/76/947305676.db2.gz KJPRIOUEKRZHLT-CQSZACIVSA-N 1 0 370.415 3.684 20 30 FHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000331230046 947365585 /nfs/dbraw/zinc/36/55/85/947365585.db2.gz CWMZJXTVZYOOFW-AWEZNQCLSA-N 1 0 354.376 3.539 20 30 FHEDRO COc1cc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)ccc1C#N ZINC000440621730 947374073 /nfs/dbraw/zinc/37/40/73/947374073.db2.gz RMSYLGCVYDHZTJ-FCHUYYIVSA-N 1 0 368.452 3.569 20 30 FHEDRO C=CCOc1ccccc1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000126327273 947406662 /nfs/dbraw/zinc/40/66/62/947406662.db2.gz PIGGKQJSMPZOCE-UHFFFAOYSA-N 1 0 365.477 3.635 20 30 FHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cccc(COCC(F)(F)F)c3)n2c1 ZINC000120908218 947419349 /nfs/dbraw/zinc/41/93/49/947419349.db2.gz IHNRDLWRDWPXFW-UHFFFAOYSA-N 1 0 374.366 3.575 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCS[C@H](C)[C@@H]1C ZINC000253485189 947432545 /nfs/dbraw/zinc/43/25/45/947432545.db2.gz MPUADMWZTHAFKX-QLFBSQMISA-N 1 0 363.552 3.703 20 30 FHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CC1CCCCC1)c1ccccc1 ZINC000523623611 947453514 /nfs/dbraw/zinc/45/35/14/947453514.db2.gz PKMDGOSWWVLGRE-VQIMIIECSA-N 1 0 357.498 3.688 20 30 FHEDRO C=C[C@](C)(CC)C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000188256653 947490204 /nfs/dbraw/zinc/49/02/04/947490204.db2.gz CTTZOROVSJJMQB-JOCHJYFZSA-N 1 0 373.541 3.732 20 30 FHEDRO C=C[C@](C)(CCOC)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000188948589 947566513 /nfs/dbraw/zinc/56/65/13/947566513.db2.gz WOHKBNOOMOURKM-RCZSKKKRSA-N 1 0 358.526 3.727 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(-c3nc(C)cs3)c2)CC1 ZINC000121534617 947600247 /nfs/dbraw/zinc/60/02/47/947600247.db2.gz KJGQDXJWRGXIKB-UHFFFAOYSA-N 1 0 355.507 3.889 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)CCC[NH2+]1 ZINC000662438431 947802622 /nfs/dbraw/zinc/80/26/22/947802622.db2.gz RSWHAZNHTQCECL-LJQANCHMSA-N 1 0 357.479 3.764 20 30 FHEDRO C=CC[C@]1(C(=O)NCCc2ccc(-c3csc(C)n3)s2)CCC[NH2+]1 ZINC000662457491 947829008 /nfs/dbraw/zinc/82/90/08/947829008.db2.gz PCNARAMQAHQAHT-GOSISDBHSA-N 1 0 361.536 3.537 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCC[NH2+]1 ZINC000662461833 947832495 /nfs/dbraw/zinc/83/24/95/947832495.db2.gz FFZVTOYSBWONJR-GOSISDBHSA-N 1 0 363.433 3.649 20 30 FHEDRO Cc1cc(C#N)cc(C)c1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001126244306 947844660 /nfs/dbraw/zinc/84/46/60/947844660.db2.gz QTNMIFOPKLRZQE-LJQANCHMSA-N 1 0 361.489 3.912 20 30 FHEDRO CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000066953673 947889661 /nfs/dbraw/zinc/88/96/61/947889661.db2.gz DHEXGKZCICIKFI-UHFFFAOYSA-N 1 0 364.449 3.956 20 30 FHEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)CCC[NH2+]1 ZINC000662531526 947899380 /nfs/dbraw/zinc/89/93/80/947899380.db2.gz GQUSCPRIVICFSM-QRWLVFNGSA-N 1 0 355.507 3.994 20 30 FHEDRO C#CCOc1ccc(Br)cc1CNCc1ccc(C)c(C)n1 ZINC000314683208 948016162 /nfs/dbraw/zinc/01/61/62/948016162.db2.gz AROUQIGUHNOJSA-UHFFFAOYSA-N 1 0 359.267 3.763 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000236808596 948141793 /nfs/dbraw/zinc/14/17/93/948141793.db2.gz OJNFGNSMMDAVKI-UHFFFAOYSA-N 1 0 351.446 3.944 20 30 FHEDRO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000181593014 948219365 /nfs/dbraw/zinc/21/93/65/948219365.db2.gz QMYKBZBTEQDCMW-RDJZCZTQSA-N 1 0 360.527 3.885 20 30 FHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000181592216 948219685 /nfs/dbraw/zinc/21/96/85/948219685.db2.gz QZOFXWGUXLYBTF-RDJZCZTQSA-N 1 0 360.527 3.742 20 30 FHEDRO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000181593033 948219725 /nfs/dbraw/zinc/21/97/25/948219725.db2.gz QMYKBZBTEQDCMW-DOTOQJQBSA-N 1 0 360.527 3.885 20 30 FHEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000178525127 948237207 /nfs/dbraw/zinc/23/72/07/948237207.db2.gz OVNDSMJTVXKVKX-INIZCTEOSA-N 1 0 357.498 3.834 20 30 FHEDRO COc1cccc(C2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)c1 ZINC000441542078 948238189 /nfs/dbraw/zinc/23/81/89/948238189.db2.gz DBLNAZZJXROKLQ-UHFFFAOYSA-N 1 0 374.444 3.996 20 30 FHEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@@H](C)COC ZINC000663583789 948253809 /nfs/dbraw/zinc/25/38/09/948253809.db2.gz ZRBTTXKPOPZCHE-OALUTQOASA-N 1 0 373.541 3.651 20 30 FHEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@H](C)COC ZINC000663583790 948253861 /nfs/dbraw/zinc/25/38/61/948253861.db2.gz ZRBTTXKPOPZCHE-RBUKOAKNSA-N 1 0 373.541 3.651 20 30 FHEDRO N#Cc1ccc2ncc(CN[C@@H](C[NH+]3CCCCC3)c3ccccc3)n2c1 ZINC000585766872 948277672 /nfs/dbraw/zinc/27/76/72/948277672.db2.gz NAIPASGTESWSFH-NRFANRHFSA-N 1 0 359.477 3.523 20 30 FHEDRO Cc1ccc([C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C2CCC2)o1 ZINC000585794452 948300614 /nfs/dbraw/zinc/30/06/14/948300614.db2.gz XHZVAGKUDOQPAO-OAQYLSRUSA-N 1 0 350.466 3.955 20 30 FHEDRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc(C#N)cn3)CC1)CCCO2 ZINC000585794070 948301613 /nfs/dbraw/zinc/30/16/13/948301613.db2.gz AUUXCRSVEGVTLZ-HXUWFJFHSA-N 1 0 362.477 3.734 20 30 FHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CC3CC3)C2)sc2c1CCCC2 ZINC000550422651 948351912 /nfs/dbraw/zinc/35/19/12/948351912.db2.gz NQLJEKGZKOPTTR-OAHLLOKOSA-N 1 0 357.523 3.949 20 30 FHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000614625682 948421236 /nfs/dbraw/zinc/42/12/36/948421236.db2.gz SCDOJPUKYJGFEV-SFHVURJKSA-N 1 0 353.853 3.558 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1)c1cccc(C#N)c1 ZINC000585816122 948432214 /nfs/dbraw/zinc/43/22/14/948432214.db2.gz YFZVROYNKTXVKJ-CABCVRRESA-N 1 0 359.433 3.626 20 30 FHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000182065113 948484442 /nfs/dbraw/zinc/48/44/42/948484442.db2.gz GMUCSAQYICWCIA-QGZVFWFLSA-N 1 0 363.461 3.764 20 30 FHEDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1C#N ZINC000237220598 948564755 /nfs/dbraw/zinc/56/47/55/948564755.db2.gz ARORVVPTLKSCTI-UHFFFAOYSA-N 1 0 352.434 3.812 20 30 FHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CSC[C@@H]2C)c1C#N ZINC000512164634 948595428 /nfs/dbraw/zinc/59/54/28/948595428.db2.gz OMCCBTXKIJRNBW-UGSOOPFHSA-N 1 0 374.554 3.761 20 30 FHEDRO C=CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000512173182 948647782 /nfs/dbraw/zinc/64/77/82/948647782.db2.gz UHGKASAOARXZLI-HXUWFJFHSA-N 1 0 355.526 3.895 20 30 FHEDRO C[C@H](C#N)Oc1ccc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895112028 948681727 /nfs/dbraw/zinc/68/17/27/948681727.db2.gz SPEMTOQEKKHCAE-BHIYHBOVSA-N 1 0 350.466 3.649 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000524002629 948756607 /nfs/dbraw/zinc/75/66/07/948756607.db2.gz RHIGHTZELZAJRK-SFHVURJKSA-N 1 0 358.526 3.763 20 30 FHEDRO COc1ccc(C[N@H+](CCC(=O)Nc2sccc2C#N)C2CC2)cc1 ZINC000021582873 948760751 /nfs/dbraw/zinc/76/07/51/948760751.db2.gz HGSQSPZUKUHZOA-UHFFFAOYSA-N 1 0 355.463 3.622 20 30 FHEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000537963970 948818622 /nfs/dbraw/zinc/81/86/22/948818622.db2.gz AWNDFQDTYKZBCS-HUUCEWRRSA-N 1 0 367.331 3.976 20 30 FHEDRO C=CCOc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000056772257 221082200 /nfs/dbraw/zinc/08/22/00/221082200.db2.gz JQTAAEBRPBZROI-UHFFFAOYSA-N 1 0 353.466 3.847 20 30 FHEDRO N#Cc1ccc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)nc1 ZINC000115675239 132374495 /nfs/dbraw/zinc/37/44/95/132374495.db2.gz NUFDEYRZJXUXPC-UHFFFAOYSA-N 1 0 352.441 3.845 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)CNc2cccc(C[NH+](C)C)c2)c1C ZINC000601930004 567878780 /nfs/dbraw/zinc/87/87/80/567878780.db2.gz CRALKIJSAVMDBK-UHFFFAOYSA-N 1 0 364.493 3.724 20 30 FHEDRO N#CC1(CC(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000602176551 567942006 /nfs/dbraw/zinc/94/20/06/567942006.db2.gz JMBKEAZLSTZLNV-UHFFFAOYSA-N 1 0 351.494 3.585 20 30 FHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccc(OC)cc1 ZINC000063549568 567980869 /nfs/dbraw/zinc/98/08/69/567980869.db2.gz DWPWFMAXQVEBDD-UHFFFAOYSA-N 1 0 366.461 3.915 20 30 FHEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000602525487 567987756 /nfs/dbraw/zinc/98/77/56/567987756.db2.gz IEYPZUCOFYRSRS-CABCVRRESA-N 1 0 350.304 3.805 20 30 FHEDRO CSc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1Br ZINC000602528458 567988013 /nfs/dbraw/zinc/98/80/13/567988013.db2.gz BPTZTYXVPMPJFA-LBPRGKRZSA-N 1 0 356.289 3.521 20 30 FHEDRO CCN(CC)[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602508500 567988976 /nfs/dbraw/zinc/98/89/76/567988976.db2.gz NBDYGHZOPYQQBO-CTNGQTDRSA-N 1 0 357.542 3.628 20 30 FHEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602551129 567990718 /nfs/dbraw/zinc/99/07/18/567990718.db2.gz MTLIFXGDHGLKLO-MJGOQNOKSA-N 1 0 359.489 3.792 20 30 FHEDRO CN(C(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602558615 567991457 /nfs/dbraw/zinc/99/14/57/567991457.db2.gz SVMDAKXFFQNAOW-AOMIVXANSA-N 1 0 361.489 3.933 20 30 FHEDRO CC(C)(c1csc(NC(=O)[C@@H]([NH3+])CCCCC#N)n1)c1ccccc1 ZINC000602578177 567993404 /nfs/dbraw/zinc/99/34/04/567993404.db2.gz KOSBEHCPRYDZQJ-HNNXBMFYSA-N 1 0 356.495 3.819 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000602590004 567994847 /nfs/dbraw/zinc/99/48/47/567994847.db2.gz BDXTUTOZYQDWAJ-SFHVURJKSA-N 1 0 365.477 3.849 20 30 FHEDRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)CC3(C#N)CCOCC3)cc2)n1 ZINC000602564844 567995502 /nfs/dbraw/zinc/99/55/02/567995502.db2.gz PEXVXFWLVHAURP-INIZCTEOSA-N 1 0 368.481 3.530 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000602575420 567996522 /nfs/dbraw/zinc/99/65/22/567996522.db2.gz HPAXDFBKDJUSRB-CABCVRRESA-N 1 0 365.880 3.746 20 30 FHEDRO CCN1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000602602535 567996853 /nfs/dbraw/zinc/99/68/53/567996853.db2.gz UOEMOICTKPSRQV-ZQZNADQNSA-N 1 0 351.416 3.911 20 30 FHEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000602598333 568000121 /nfs/dbraw/zinc/00/01/21/568000121.db2.gz HLMYNVXRCGETPB-SJLPKXTDSA-N 1 0 365.481 3.781 20 30 FHEDRO COC(=O)c1csc(-c2cccc(C[NH2+]C3CCC(C#N)CC3)c2)n1 ZINC000602630561 568000830 /nfs/dbraw/zinc/00/08/30/568000830.db2.gz MSDCUJVUYUNNGY-UHFFFAOYSA-N 1 0 355.463 3.769 20 30 FHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602856896 568002585 /nfs/dbraw/zinc/00/25/85/568002585.db2.gz SZARLYOKVBMKOX-ICSRJNTNSA-N 1 0 362.477 3.596 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC000481500320 568005288 /nfs/dbraw/zinc/00/52/88/568005288.db2.gz XMBRBZMYZKYVOX-RXVVDRJESA-N 1 0 368.452 3.707 20 30 FHEDRO CCn1c(C[NH2+]C2CCC(C#N)CC2)nc2cc(Br)ccc21 ZINC000602629446 568007481 /nfs/dbraw/zinc/00/74/81/568007481.db2.gz HBKRNZJTHVSSGG-UHFFFAOYSA-N 1 0 361.287 3.991 20 30 FHEDRO Cc1ccc(C[C@@H](CO)C[NH2+]C2CCC(C#N)CC2)cc1Br ZINC000602684706 568010966 /nfs/dbraw/zinc/01/09/66/568010966.db2.gz RKNWREWWNXITJQ-ARWYELJZSA-N 1 0 365.315 3.581 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481530654 568010929 /nfs/dbraw/zinc/01/09/29/568010929.db2.gz SKYHKVLRESRGTM-VLIAUNLRSA-N 1 0 374.868 3.965 20 30 FHEDRO Cc1csc(CC2(O)CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000602894750 568013998 /nfs/dbraw/zinc/01/39/98/568013998.db2.gz YJLHJNDUCYOAJU-UHFFFAOYSA-N 1 0 369.534 3.822 20 30 FHEDRO N#Cc1ccccc1NC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000602895444 568014132 /nfs/dbraw/zinc/01/41/32/568014132.db2.gz NUHDONRVXCYCFY-UHFFFAOYSA-N 1 0 352.482 3.535 20 30 FHEDRO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000602668741 568014412 /nfs/dbraw/zinc/01/44/12/568014412.db2.gz FPXRZJNLXWWWQC-SFHVURJKSA-N 1 0 368.481 3.900 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000602718338 568014909 /nfs/dbraw/zinc/01/49/09/568014909.db2.gz VVSADPJBYAQPAX-RXVVDRJESA-N 1 0 372.509 3.571 20 30 FHEDRO CN1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000602692839 568015546 /nfs/dbraw/zinc/01/55/46/568015546.db2.gz CBBBNIYFBLYQEO-OKDNKWQNSA-N 1 0 362.315 3.866 20 30 FHEDRO CN1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000602692838 568015581 /nfs/dbraw/zinc/01/55/81/568015581.db2.gz CBBBNIYFBLYQEO-NBMRYCAZSA-N 1 0 362.315 3.866 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000602714027 568019700 /nfs/dbraw/zinc/01/97/00/568019700.db2.gz FJGYBTGHFBIFSH-WMZOPIPTSA-N 1 0 350.466 3.548 20 30 FHEDRO N#CCCN1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000602747851 568022431 /nfs/dbraw/zinc/02/24/31/568022431.db2.gz GPOIXJVWEOUOQI-UHFFFAOYSA-N 1 0 355.432 3.628 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000602726683 568024235 /nfs/dbraw/zinc/02/42/35/568024235.db2.gz XYLPPVBTOJOZNH-HOCLYGCPSA-N 1 0 365.880 3.746 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[C@H]1C#N ZINC000602976058 568036093 /nfs/dbraw/zinc/03/60/93/568036093.db2.gz KJVXKFDJSPRXGN-NHYWBVRUSA-N 1 0 368.250 3.541 20 30 FHEDRO COc1ncc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c2ccccc21 ZINC000602824072 568045992 /nfs/dbraw/zinc/04/59/92/568045992.db2.gz MDBMIFYQHHGMGO-UHFFFAOYSA-N 1 0 358.445 3.696 20 30 FHEDRO Cc1ccc(C[C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000568548317 568050354 /nfs/dbraw/zinc/05/03/54/568050354.db2.gz ZUWWSXARPNQYHY-GMAHTHKFSA-N 1 0 373.500 3.927 20 30 FHEDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481650440 568080216 /nfs/dbraw/zinc/08/02/16/568080216.db2.gz NSFBWVKDUIMJMP-QFIPXVFZSA-N 1 0 361.489 3.964 20 30 FHEDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481667996 568083641 /nfs/dbraw/zinc/08/36/41/568083641.db2.gz SUQZNYAIPJYDPJ-JOCHJYFZSA-N 1 0 363.461 3.953 20 30 FHEDRO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000603464515 568105363 /nfs/dbraw/zinc/10/53/63/568105363.db2.gz WAXQEXKKMTXJHY-IRLDBZIGSA-N 1 0 350.462 3.638 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1 ZINC000481772984 568119556 /nfs/dbraw/zinc/11/95/56/568119556.db2.gz DAWZQENIFVSBCF-FQEVSTJZSA-N 1 0 368.864 3.741 20 30 FHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000181889676 568120999 /nfs/dbraw/zinc/12/09/99/568120999.db2.gz OBISNJUTWASSCY-AEFFLSMTSA-N 1 0 365.477 3.753 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000603658117 568134137 /nfs/dbraw/zinc/13/41/37/568134137.db2.gz LWIPMTUANJRGQB-HXUWFJFHSA-N 1 0 362.477 3.884 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000603823252 568150017 /nfs/dbraw/zinc/15/00/17/568150017.db2.gz UBKNNKOAYXMHMW-IIYDPXPESA-N 1 0 355.404 3.799 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000603843082 568155304 /nfs/dbraw/zinc/15/53/04/568155304.db2.gz XFBYNZSJVDEUPU-UTKZUKDTSA-N 1 0 370.880 3.983 20 30 FHEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000603843105 568155330 /nfs/dbraw/zinc/15/53/30/568155330.db2.gz ZRWDLWHBKBVAMM-DENIHFKCSA-N 1 0 350.462 3.638 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000603843081 568155430 /nfs/dbraw/zinc/15/54/30/568155430.db2.gz XFBYNZSJVDEUPU-DYESRHJHSA-N 1 0 370.880 3.983 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890318 568177370 /nfs/dbraw/zinc/17/73/70/568177370.db2.gz ZATKGFOMIQVIEG-TVTNDZMWSA-N 1 0 366.509 3.790 20 30 FHEDRO Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1F ZINC000481914143 568182085 /nfs/dbraw/zinc/18/20/85/568182085.db2.gz RNDWMVSNEMQAHK-OAQYLSRUSA-N 1 0 365.452 3.793 20 30 FHEDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481987866 568215721 /nfs/dbraw/zinc/21/57/21/568215721.db2.gz CRPIFJIWAWELDO-OAQYLSRUSA-N 1 0 368.502 3.909 20 30 FHEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000569000700 568266096 /nfs/dbraw/zinc/26/60/96/568266096.db2.gz MZLQGOUWMJYURA-IAQYHMDHSA-N 1 0 352.251 3.523 20 30 FHEDRO CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604416472 568274647 /nfs/dbraw/zinc/27/46/47/568274647.db2.gz SGZQMNNEIBKVSN-HXUWFJFHSA-N 1 0 356.441 3.542 20 30 FHEDRO C[C@H](CNc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000303434946 568277993 /nfs/dbraw/zinc/27/79/93/568277993.db2.gz GQUBBWGLSFCEOE-MRXNPFEDSA-N 1 0 354.885 3.834 20 30 FHEDRO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000303505709 568283006 /nfs/dbraw/zinc/28/30/06/568283006.db2.gz NTJIKASOWRCFIN-WMLDXEAASA-N 1 0 368.880 3.541 20 30 FHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482139776 568287863 /nfs/dbraw/zinc/28/78/63/568287863.db2.gz GFJNQDRWZLJJDD-RTBURBONSA-N 1 0 367.497 3.598 20 30 FHEDRO COc1ccc(C)cc1C[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000604512467 568306611 /nfs/dbraw/zinc/30/66/11/568306611.db2.gz YBCNIKBCUZVDJE-UHFFFAOYSA-N 1 0 354.450 3.985 20 30 FHEDRO N#Cc1ccc(C[NH+]2CCC(c3nccc(C(F)(F)F)n3)CC2)cc1F ZINC000365273601 568396330 /nfs/dbraw/zinc/39/63/30/568396330.db2.gz ZVFUFSVXZPXDLB-UHFFFAOYSA-N 1 0 364.346 3.886 20 30 FHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)c1 ZINC000570062329 568443107 /nfs/dbraw/zinc/44/31/07/568443107.db2.gz WCSJHIMGUSBZEL-HDICACEKSA-N 1 0 362.433 3.709 20 30 FHEDRO Cc1csc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000570178355 568459381 /nfs/dbraw/zinc/45/93/81/568459381.db2.gz BBHYADAUSGOXLJ-NSHDSACASA-N 1 0 360.508 3.553 20 30 FHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)nc1 ZINC000570462086 568478333 /nfs/dbraw/zinc/47/83/33/568478333.db2.gz SXESTHSTPKUFPP-INIZCTEOSA-N 1 0 364.836 3.808 20 30 FHEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1F ZINC000182028967 568559363 /nfs/dbraw/zinc/55/93/63/568559363.db2.gz KWISVPCGLBFSPY-VXGBXAGGSA-N 1 0 359.401 3.594 20 30 FHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000324151078 568730362 /nfs/dbraw/zinc/73/03/62/568730362.db2.gz BOHCGOYEDSYXCM-WFASDCNBSA-N 1 0 365.260 3.956 20 30 FHEDRO C=CC[N@@H+](C/C=C\c1ccccc1OC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903963 608631233 /nfs/dbraw/zinc/63/12/33/608631233.db2.gz PFSRLPGQLZJAAS-XFFZJAGNSA-N 1 0 361.449 3.577 20 30 FHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001164417277 718892138 /nfs/dbraw/zinc/89/21/38/718892138.db2.gz IUGWJLWPZXGOMC-CQSZACIVSA-N 1 0 354.832 3.510 20 30 FHEDRO N#Cc1cnc(Cl)cc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164623541 719059528 /nfs/dbraw/zinc/05/95/28/719059528.db2.gz JRZXPYUVZWGJOR-APWZRJJASA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1c(Cl)ccnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164623664 719066194 /nfs/dbraw/zinc/06/61/94/719066194.db2.gz KGIJKXXIAYDHJN-VQIMIIECSA-N 1 0 352.869 3.707 20 30 FHEDRO N#Cc1cc(Cl)cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626818 719072682 /nfs/dbraw/zinc/07/26/82/719072682.db2.gz PLQOKCDPUUALDY-APWZRJJASA-N 1 0 352.869 3.707 20 30 FHEDRO N#CCc1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164994414 722204848 /nfs/dbraw/zinc/20/48/48/722204848.db2.gz GIKMRWAARGCONX-OAQYLSRUSA-N 1 0 350.441 3.532 20 30 FHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000178729278 936326949 /nfs/dbraw/zinc/32/69/49/936326949.db2.gz QILSIKKBIWFMTD-FQEVSTJZSA-N 1 0 368.525 3.600 20 30 FHEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000161486083 936357954 /nfs/dbraw/zinc/35/79/54/936357954.db2.gz LXSVHRHTIKGAHT-AWEZNQCLSA-N 1 0 359.857 3.807 20 30 FHEDRO N#Cc1ccc(NCC2([NH+]3CCSCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000564506797 936359974 /nfs/dbraw/zinc/35/99/74/936359974.db2.gz XNOIMMGYZPRLHQ-UHFFFAOYSA-N 1 0 360.483 3.630 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc4cccnc4o3)C2)c(F)c1 ZINC000583005227 936365606 /nfs/dbraw/zinc/36/56/06/936365606.db2.gz UOGRODYGIQLVEA-INIZCTEOSA-N 1 0 350.397 3.597 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000511770446 945065605 /nfs/dbraw/zinc/06/56/05/945065605.db2.gz IUPGWIOOAHRNQV-MRXNPFEDSA-N 1 0 373.516 3.992 20 30 FHEDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000583097910 937120877 /nfs/dbraw/zinc/12/08/77/937120877.db2.gz HNLNJZLGCGWSGO-LEWJYISDSA-N 1 0 360.461 3.994 20 30 FHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000153833698 927041395 /nfs/dbraw/zinc/04/13/95/927041395.db2.gz RRFXWEDBTIEUAP-UHFFFAOYSA-N 1 0 357.404 3.607 20 30 FHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654733969 927218381 /nfs/dbraw/zinc/21/83/81/927218381.db2.gz GDIGOSJCKIDROW-WOJBJXKFSA-N 1 0 373.545 3.569 20 30 FHEDRO N#CCC[C@H](C#N)CNCc1cc(Br)ccc1OC(F)F ZINC000548788352 937158779 /nfs/dbraw/zinc/15/87/79/937158779.db2.gz NJUMEWVVYCRZHZ-SNVBAGLBSA-N 1 0 358.186 3.584 20 30 FHEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000246859901 927466103 /nfs/dbraw/zinc/46/61/03/927466103.db2.gz SIZAWFDQOMMIJK-QAPCUYQASA-N 1 0 354.479 3.824 20 30 FHEDRO COc1cc(C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)ccc1C#N ZINC000577787458 927546913 /nfs/dbraw/zinc/54/69/13/927546913.db2.gz QTESRTMGJGTVBZ-HNNXBMFYSA-N 1 0 354.450 3.613 20 30 FHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1-n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001167059665 927754481 /nfs/dbraw/zinc/75/44/81/927754481.db2.gz HBISTSGGROYVAT-SNVBAGLBSA-N 1 0 373.794 3.691 20 30 FHEDRO CC(C)NC(=S)C(C(=O)c1ccc(F)c(Cl)c1)[n+]1ccccc1 ZINC000122083434 937196727 /nfs/dbraw/zinc/19/67/27/937196727.db2.gz ZQZLVSKWWGSDAA-UHFFFAOYSA-O 1 0 351.854 3.703 20 30 FHEDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c1C ZINC000610216539 928213897 /nfs/dbraw/zinc/21/38/97/928213897.db2.gz NIWGSBFAUKMGOU-OFNKIYASSA-N 1 0 364.489 3.946 20 30 FHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598543700 928530572 /nfs/dbraw/zinc/53/05/72/928530572.db2.gz WYBYRPJYICXQSG-UHFFFAOYSA-N 1 0 367.518 3.933 20 30 FHEDRO COc1ccc(O)c(/C=N\C[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000255001534 928852999 /nfs/dbraw/zinc/85/29/99/928852999.db2.gz UWBZDHNKMKEKGI-HBEGMLAUSA-N 1 0 354.450 3.665 20 30 FHEDRO C=CCN(CC(=O)NCc1cc(Cl)ccc1OC)Cc1ccccc1 ZINC000510133883 928950270 /nfs/dbraw/zinc/95/02/70/928950270.db2.gz KWBOCYUOHVDIKJ-UHFFFAOYSA-N 1 0 358.869 3.653 20 30 FHEDRO C=CCC(CC=C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000150860591 937292619 /nfs/dbraw/zinc/29/26/19/937292619.db2.gz RAUFVJNOLJUJND-FQEVSTJZSA-N 1 0 369.509 3.560 20 30 FHEDRO N#Cc1ccc(CC[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cc1 ZINC001208926168 929017930 /nfs/dbraw/zinc/01/79/30/929017930.db2.gz CROCGYKVSHDXNX-UHFFFAOYSA-N 1 0 373.500 3.758 20 30 FHEDRO C[NH+](C)CCc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000583271935 937302863 /nfs/dbraw/zinc/30/28/63/937302863.db2.gz UJBZPLOLIPLNHW-UHFFFAOYSA-N 1 0 351.450 3.726 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000179807465 929068608 /nfs/dbraw/zinc/06/86/08/929068608.db2.gz ORHKGHBFGIRSRC-UYAOXDASSA-N 1 0 350.547 3.909 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)CC1 ZINC000179807482 929068753 /nfs/dbraw/zinc/06/87/53/929068753.db2.gz ORHKGHBFGIRSRC-AZUAARDMSA-N 1 0 350.547 3.909 20 30 FHEDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)[NH+]2CCCC2)cc1 ZINC000165046861 929085527 /nfs/dbraw/zinc/08/55/27/929085527.db2.gz WFSWCBARNJLZLE-FQEVSTJZSA-N 1 0 366.421 3.724 20 30 FHEDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)[NH+]1CCCC1 ZINC000165092747 929116621 /nfs/dbraw/zinc/11/66/21/929116621.db2.gz NGXZNOAJQNVRAF-LJQANCHMSA-N 1 0 366.421 3.724 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000154827308 929308519 /nfs/dbraw/zinc/30/85/19/929308519.db2.gz FRBIYHUBLVTGFC-GJZGRUSLSA-N 1 0 361.436 3.563 20 30 FHEDRO N#CCc1ccccc1CN1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001279376278 929490530 /nfs/dbraw/zinc/49/05/30/929490530.db2.gz SDBVUBBHVIUFKQ-UHFFFAOYSA-N 1 0 351.416 3.603 20 30 FHEDRO C=CCCCC[N@H+]1CCC[C@@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001209200095 929493327 /nfs/dbraw/zinc/49/33/27/929493327.db2.gz GITKKCFYWWXDPF-QFIPXVFZSA-N 1 0 358.526 3.970 20 30 FHEDRO C[N@H+](CCCNc1c(C#N)cnc2c(F)ccc(F)c21)Cc1ccccc1 ZINC000610245214 929529911 /nfs/dbraw/zinc/52/99/11/929529911.db2.gz ITYFOCCTNLQRAP-UHFFFAOYSA-N 1 0 366.415 3.741 20 30 FHEDRO Cn1c2ccccc2nc1[C@@H]([NH2+]CCCSCC#N)c1ccccc1 ZINC000125957093 937346929 /nfs/dbraw/zinc/34/69/29/937346929.db2.gz RGEMSRDERDFSQW-IBGZPJMESA-N 1 0 350.491 3.899 20 30 FHEDRO N#Cc1cccc(C2([NH2+]CCOc3cccc(Br)c3)CC2)c1 ZINC000583336784 937356418 /nfs/dbraw/zinc/35/64/18/937356418.db2.gz BKUSYVFNWHHXIA-UHFFFAOYSA-N 1 0 357.251 3.978 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1 ZINC000187304029 929765777 /nfs/dbraw/zinc/76/57/77/929765777.db2.gz LDUPWXKEAZFTNB-OAQYLSRUSA-N 1 0 359.473 3.543 20 30 FHEDRO N#Cc1ccc(C2(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1 ZINC000187304048 929766363 /nfs/dbraw/zinc/76/63/63/929766363.db2.gz LDUPWXKEAZFTNB-NRFANRHFSA-N 1 0 359.473 3.543 20 30 FHEDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000728267075 929794166 /nfs/dbraw/zinc/79/41/66/929794166.db2.gz ASOPVLNOUMAGDZ-MRXNPFEDSA-N 1 0 364.493 3.570 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2COCc2ccccc2)CC1 ZINC000299155756 929871434 /nfs/dbraw/zinc/87/14/34/929871434.db2.gz MQOQKIKTTDXHJG-UHFFFAOYSA-N 1 0 362.473 3.687 20 30 FHEDRO CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000748133840 930013440 /nfs/dbraw/zinc/01/34/40/930013440.db2.gz RSKPOSDYTAVQCD-UHFFFAOYSA-N 1 0 369.469 3.620 20 30 FHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000610346244 930046769 /nfs/dbraw/zinc/04/67/69/930046769.db2.gz QJEHOWBOMRKMTF-OLZOCXBDSA-N 1 0 372.266 3.999 20 30 FHEDRO C[C@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000610347790 930057477 /nfs/dbraw/zinc/05/74/77/930057477.db2.gz XJVXYBHNNUVAGY-UWJYYQICSA-N 1 0 362.477 3.756 20 30 FHEDRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(C#N)c1 ZINC000610360189 930123948 /nfs/dbraw/zinc/12/39/48/930123948.db2.gz VBBWXINXSBSBAE-OXQOHEQNSA-N 1 0 365.452 3.787 20 30 FHEDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(C#N)cs2)CC1)c1ccccc1 ZINC000177693328 930160365 /nfs/dbraw/zinc/16/03/65/930160365.db2.gz LXFQXUCJKUSOMB-FQEVSTJZSA-N 1 0 367.518 3.894 20 30 FHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370294 930170302 /nfs/dbraw/zinc/17/03/02/930170302.db2.gz JDRCNGVWNABFFS-FCHUYYIVSA-N 1 0 366.505 3.754 20 30 FHEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2cccc(C#N)n2)CCCC1)c1ccccc1 ZINC000580071707 930210769 /nfs/dbraw/zinc/21/07/69/930210769.db2.gz HNPHBIVMUUQKKL-MRXNPFEDSA-N 1 0 363.465 3.738 20 30 FHEDRO CC1(C)Cc2occc2[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000161687944 937395956 /nfs/dbraw/zinc/39/59/56/937395956.db2.gz IZBMVHJEINFNLC-SFHVURJKSA-N 1 0 350.466 3.818 20 30 FHEDRO COc1ccc2oc([C@H](C)[NH2+]Cc3cnc4c(C#N)cnn4c3)c(C)c2c1 ZINC000560944855 930248469 /nfs/dbraw/zinc/24/84/69/930248469.db2.gz IKBRJJFLRLHNDP-ZDUSSCGKSA-N 1 0 361.405 3.515 20 30 FHEDRO C=CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000580175201 930335091 /nfs/dbraw/zinc/33/50/91/930335091.db2.gz PODIVRNKCJMHRL-FUHWJXTLSA-N 1 0 359.539 3.510 20 30 FHEDRO C=CCc1cc(C[NH2+]CCCc2nc3ccccc3n2C)cc(OC)c1O ZINC000124383793 930347257 /nfs/dbraw/zinc/34/72/57/930347257.db2.gz YBAVSVNDVWQXMO-UHFFFAOYSA-N 1 0 365.477 3.738 20 30 FHEDRO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000047778073 930391237 /nfs/dbraw/zinc/39/12/37/930391237.db2.gz JBWLOPZKWIGTKV-VQIMIIECSA-N 1 0 366.465 3.739 20 30 FHEDRO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1cccc(C#N)c1 ZINC000610408460 930416833 /nfs/dbraw/zinc/41/68/33/930416833.db2.gz XVYOLSJJNQOSTK-CMKODMSKSA-N 1 0 368.525 3.915 20 30 FHEDRO Cc1csc(-c2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)n1 ZINC000328718419 930572418 /nfs/dbraw/zinc/57/24/18/930572418.db2.gz UZDVIKVSVQHOLE-SJORKVTESA-N 1 0 356.495 3.880 20 30 FHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc2c(s1)CCC2 ZINC000161708280 937433105 /nfs/dbraw/zinc/43/31/05/937433105.db2.gz SAJJYQVVKPGMFZ-AWEZNQCLSA-N 1 0 352.507 3.823 20 30 FHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(F)cc1C#N ZINC000083577113 930661545 /nfs/dbraw/zinc/66/15/45/930661545.db2.gz QATBUZCZOKMODH-INIZCTEOSA-N 1 0 366.440 3.826 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000580423154 930669445 /nfs/dbraw/zinc/66/94/45/930669445.db2.gz HFRXTPOGCVIYEH-NQIIRXRSSA-N 1 0 370.880 3.756 20 30 FHEDRO CC[C@@](C)(C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000580475212 930723588 /nfs/dbraw/zinc/72/35/88/930723588.db2.gz IWVXZNJCIKYOOP-XJUOHMSHSA-N 1 0 361.489 3.711 20 30 FHEDRO C[NH2+]Cc1ccc(Nc2ccc(C#N)cc2I)cc1 ZINC001211130935 930776497 /nfs/dbraw/zinc/77/64/97/930776497.db2.gz FQOPQRIGPKZLFQ-UHFFFAOYSA-N 1 0 363.202 3.626 20 30 FHEDRO COC(=O)c1cccc(C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)c1C#N ZINC000537040069 930780178 /nfs/dbraw/zinc/78/01/78/930780178.db2.gz DNBXXBHZUCPVIC-FQEVSTJZSA-N 1 0 352.434 3.840 20 30 FHEDRO CCNC(=O)c1cccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000579778559 931019697 /nfs/dbraw/zinc/01/96/97/931019697.db2.gz RIWCVGKDNFOQBE-UHFFFAOYSA-N 1 0 361.367 3.617 20 30 FHEDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610455062 931052769 /nfs/dbraw/zinc/05/27/69/931052769.db2.gz WXPNFPYDMCPGKT-UHFFFAOYSA-N 1 0 367.453 3.599 20 30 FHEDRO Cc1cc(Br)ccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000261669660 931179415 /nfs/dbraw/zinc/17/94/15/931179415.db2.gz OYYWQYVFKPAQMN-MRXNPFEDSA-N 1 0 374.282 3.686 20 30 FHEDRO C=C(C)[C@@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(F)c(F)c1 ZINC000580822179 931202634 /nfs/dbraw/zinc/20/26/34/931202634.db2.gz KXJNJILBNWJQKT-AUUYWEPGSA-N 1 0 372.419 3.615 20 30 FHEDRO C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000580846454 931261370 /nfs/dbraw/zinc/26/13/70/931261370.db2.gz MBAJPTWXMDCUGA-IBGZPJMESA-N 1 0 359.562 3.755 20 30 FHEDRO C=CCOCc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167437644 931299813 /nfs/dbraw/zinc/29/98/13/931299813.db2.gz WXGFXLWETFFFRN-UHFFFAOYSA-N 1 0 351.494 3.753 20 30 FHEDRO C=CCOc1ccc(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000580910701 931331650 /nfs/dbraw/zinc/33/16/50/931331650.db2.gz YZMWKSYPSXUZEB-SFHVURJKSA-N 1 0 359.514 3.563 20 30 FHEDRO C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473995 931468497 /nfs/dbraw/zinc/46/84/97/931468497.db2.gz QQZPTYOGMQPBTA-KKSFZXQISA-N 1 0 365.452 3.929 20 30 FHEDRO C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610473992 931468662 /nfs/dbraw/zinc/46/86/62/931468662.db2.gz QQZPTYOGMQPBTA-HRAATJIYSA-N 1 0 365.452 3.929 20 30 FHEDRO CN(C)[C@H](C(=O)N[C@@]1(C#N)CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000581019509 931474913 /nfs/dbraw/zinc/47/49/13/931474913.db2.gz GEEJDGVCUNMDJJ-FPOVZHCZSA-N 1 0 367.880 3.510 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1cccs1 ZINC000177901913 931524310 /nfs/dbraw/zinc/52/43/10/931524310.db2.gz RLNWJAQSCYKICR-SCLBCKFNSA-N 1 0 372.469 3.963 20 30 FHEDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1F ZINC000064613805 931542678 /nfs/dbraw/zinc/54/26/78/931542678.db2.gz DMTDNVNWBSKAPH-UHFFFAOYSA-N 1 0 358.413 3.815 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000581339817 931856318 /nfs/dbraw/zinc/85/63/18/931856318.db2.gz PNZXVJXELYQKQI-SFTDATJTSA-N 1 0 374.488 3.853 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N(C)CCCC)CC2)cc1OC ZINC000510405114 931932493 /nfs/dbraw/zinc/93/24/93/931932493.db2.gz YFWHJYITXFCLMM-UHFFFAOYSA-N 1 0 374.525 3.731 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000891395184 932051385 /nfs/dbraw/zinc/05/13/85/932051385.db2.gz VNZMXNSLNDEFLO-LJQANCHMSA-N 1 0 368.506 3.598 20 30 FHEDRO C[C@](CO)([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC001167461288 932053351 /nfs/dbraw/zinc/05/33/51/932053351.db2.gz DTNQUPBCWZCKLE-GOSISDBHSA-N 1 0 355.400 3.858 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000157823952 932331253 /nfs/dbraw/zinc/33/12/53/932331253.db2.gz DSHJXWGMKRTFSE-NZQKXSOJSA-N 1 0 362.473 3.644 20 30 FHEDRO C=CC[C@H]1CC[N@@H+](Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 ZINC000625699756 932410132 /nfs/dbraw/zinc/41/01/32/932410132.db2.gz GSPIOLGWHWFSPB-LBPRGKRZSA-N 1 0 365.380 3.745 20 30 FHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ccc(C#N)cn2)c1 ZINC000127242160 932438374 /nfs/dbraw/zinc/43/83/74/932438374.db2.gz KXKBWCDYUWHYNZ-UHFFFAOYSA-N 1 0 350.466 3.505 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000510446748 932444288 /nfs/dbraw/zinc/44/42/88/932444288.db2.gz ZWCZETZUUSNXTK-UHFFFAOYSA-N 1 0 371.706 3.873 20 30 FHEDRO Cn1cc(Br)cc1C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000477290541 932452935 /nfs/dbraw/zinc/45/29/35/932452935.db2.gz ITXZSLYZVOFGBD-UHFFFAOYSA-N 1 0 362.271 3.560 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933372195 932491324 /nfs/dbraw/zinc/49/13/24/932491324.db2.gz DZRSJJYBBBWISH-QAPCUYQASA-N 1 0 373.522 3.568 20 30 FHEDRO N#Cc1ccc(CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C2CC2)cc1 ZINC000178111331 932514759 /nfs/dbraw/zinc/51/47/59/932514759.db2.gz KFHXKOCDFDLUEF-IBGZPJMESA-N 1 0 351.494 3.704 20 30 FHEDRO COCc1cccc(OCC2(C[N@H+](C)Cc3cccc(C#N)c3)CC2)c1 ZINC000477387019 932539399 /nfs/dbraw/zinc/53/93/99/932539399.db2.gz QZWOIXPVEFTVTQ-UHFFFAOYSA-N 1 0 350.462 3.996 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000891500032 932662295 /nfs/dbraw/zinc/66/22/95/932662295.db2.gz RZMTXGODKPNHAD-KRWDZBQOSA-N 1 0 372.494 3.581 20 30 FHEDRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000098028695 932665396 /nfs/dbraw/zinc/66/53/96/932665396.db2.gz MNBFNSOEGXYDAJ-UHFFFAOYSA-N 1 0 364.449 3.908 20 30 FHEDRO CCOC(=O)Nc1ccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1C#N ZINC000161033075 932707667 /nfs/dbraw/zinc/70/76/67/932707667.db2.gz NPLUUIOYWAXXAX-SFHVURJKSA-N 1 0 372.469 3.576 20 30 FHEDRO CN(Cc1cc(C#N)cs1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000891544005 932730341 /nfs/dbraw/zinc/73/03/41/932730341.db2.gz WPIPKKRRVFBVCQ-MRXNPFEDSA-N 1 0 374.535 3.660 20 30 FHEDRO CC1(C)CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H]1c1ccccc1 ZINC000933513147 932753792 /nfs/dbraw/zinc/75/37/92/932753792.db2.gz NXKHLGCWFYLTPC-WOJBJXKFSA-N 1 0 356.510 3.573 20 30 FHEDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1ccc(C#N)c(Cl)n1 ZINC000891564637 932765773 /nfs/dbraw/zinc/76/57/73/932765773.db2.gz BITIQSGVIKJORK-OAHLLOKOSA-N 1 0 370.884 3.820 20 30 FHEDRO N#Cc1ccccc1Cn1cccc1C[NH2+]CC[C@H]1C(=O)Nc2ccccc21 ZINC000187620317 933066596 /nfs/dbraw/zinc/06/65/96/933066596.db2.gz UYORKVHMAQRLIV-OAQYLSRUSA-N 1 0 370.456 3.624 20 30 FHEDRO C=C(C)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000426775121 933162802 /nfs/dbraw/zinc/16/28/02/933162802.db2.gz YRFLIDWGEHSJAH-UHFFFAOYSA-N 1 0 357.235 3.711 20 30 FHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1)[NH+](C)C ZINC000510546056 933198271 /nfs/dbraw/zinc/19/82/71/933198271.db2.gz MPDJMLJUXGQQJJ-UWJYYQICSA-N 1 0 361.489 3.706 20 30 FHEDRO CC(C)[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000510596031 933256724 /nfs/dbraw/zinc/25/67/24/933256724.db2.gz IRLOEJPOVMFZSV-RTWAWAEBSA-N 1 0 370.541 3.846 20 30 FHEDRO CC(C)C[C@@H](CNC(=O)NCC1(CC#N)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000430843430 933304461 /nfs/dbraw/zinc/30/44/61/933304461.db2.gz XXCCEFJBXUBMGZ-MJGOQNOKSA-N 1 0 356.514 3.745 20 30 FHEDRO C=CCOc1ccc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1OC ZINC000430889302 933379571 /nfs/dbraw/zinc/37/95/71/933379571.db2.gz MJGFEQUJYUKWFT-UHFFFAOYSA-N 1 0 374.525 3.748 20 30 FHEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000610615538 933536885 /nfs/dbraw/zinc/53/68/85/933536885.db2.gz NIAKZYDKCLEIQA-FQEVSTJZSA-N 1 0 366.461 3.757 20 30 FHEDRO C=CCOc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000510728973 933593227 /nfs/dbraw/zinc/59/32/27/933593227.db2.gz IWPTUEZSJRJDCB-KRWDZBQOSA-N 1 0 365.477 3.820 20 30 FHEDRO N#Cc1cc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)ccc1F ZINC000728394256 933603282 /nfs/dbraw/zinc/60/32/82/933603282.db2.gz VWVTYXRUPXZCKD-UHFFFAOYSA-N 1 0 358.461 3.864 20 30 FHEDRO N#Cc1ccccc1N1CCCN(Cc2nc3cc(F)ccc3o2)CC1 ZINC000610681297 933769661 /nfs/dbraw/zinc/76/96/61/933769661.db2.gz HBNZHACNZIPYGK-UHFFFAOYSA-N 1 0 350.397 3.551 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000563007276 933802156 /nfs/dbraw/zinc/80/21/56/933802156.db2.gz HSCOBHRJNYSZKB-FCEWJHQRSA-N 1 0 367.917 3.692 20 30 FHEDRO C=CCOc1ccc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1Cl ZINC000092078731 933840056 /nfs/dbraw/zinc/84/00/56/933840056.db2.gz QWMNVGXQSXYVEF-INIZCTEOSA-N 1 0 364.917 3.590 20 30 FHEDRO COc1ccccc1C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)C(C)C ZINC000178398483 933870939 /nfs/dbraw/zinc/87/09/39/933870939.db2.gz LWSJSEQXGNZOJR-OXJNMPFZSA-N 1 0 365.477 3.751 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000247483682 933888479 /nfs/dbraw/zinc/88/84/79/933888479.db2.gz UXCUPHKLZUTBEC-HKUYNNGSSA-N 1 0 368.506 3.502 20 30 FHEDRO CCN(Cc1cc(Br)c2c(c1)OCCCO2)C[C@H](C)C#N ZINC000091982331 933931802 /nfs/dbraw/zinc/93/18/02/933931802.db2.gz ZKUFQOYPDQAUKQ-GFCCVEGCSA-N 1 0 353.260 3.592 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000187662210 934027338 /nfs/dbraw/zinc/02/73/38/934027338.db2.gz XPKLTQPKUFWVCU-QGZVFWFLSA-N 1 0 359.473 3.921 20 30 FHEDRO C=CCOc1ccccc1C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000092644723 934120315 /nfs/dbraw/zinc/12/03/15/934120315.db2.gz KCJSSFHONSXMCW-UHFFFAOYSA-N 1 0 356.510 3.912 20 30 FHEDRO CCN(C)[C@H](C(=O)O[C@@H](C)COc1cccc(C#N)c1)c1ccccc1 ZINC000780373209 934132573 /nfs/dbraw/zinc/13/25/73/934132573.db2.gz MKNFYPMBFUGGQM-JXFKEZNVSA-N 1 0 352.434 3.562 20 30 FHEDRO CN(C(=O)c1cc2ccccc2n1CC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610774917 934161844 /nfs/dbraw/zinc/16/18/44/934161844.db2.gz BKTKAPLCONGHTE-FQEVSTJZSA-N 1 0 372.472 3.511 20 30 FHEDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610783293 934181469 /nfs/dbraw/zinc/18/14/69/934181469.db2.gz BLYGJTSDSSIHBE-REWPJTCUSA-N 1 0 364.489 3.748 20 30 FHEDRO CC1CC(C#N)(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535696240 934290732 /nfs/dbraw/zinc/29/07/32/934290732.db2.gz MVJUBUQDTIXRKH-WPHVFHIHSA-N 1 0 363.864 3.528 20 30 FHEDRO COc1cccc([C@H](C/N=C/c2cc(OC)ccc2O)[NH+]2CCCC2)c1 ZINC000022768843 934364654 /nfs/dbraw/zinc/36/46/54/934364654.db2.gz MDUCZGKLIVJWDR-ISXGRJCASA-N 1 0 354.450 3.665 20 30 FHEDRO Cc1cc(C)cc(C2=CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000535793442 934386285 /nfs/dbraw/zinc/38/62/85/934386285.db2.gz ZRAYNPCBFSFODL-GCJKJVERSA-N 1 0 353.510 3.836 20 30 FHEDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829682 934502175 /nfs/dbraw/zinc/50/21/75/934502175.db2.gz DVPXXUSJGDJGCL-KBPBESRZSA-N 1 0 352.394 3.534 20 30 FHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000610830019 934503083 /nfs/dbraw/zinc/50/30/83/934503083.db2.gz YACHQZCVVHSRBL-CABCVRRESA-N 1 0 367.449 3.643 20 30 FHEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000471982743 934519019 /nfs/dbraw/zinc/51/90/19/934519019.db2.gz ZZVFGATWGNPMOR-UHFFFAOYSA-N 1 0 368.403 3.917 20 30 FHEDRO Cc1cc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)ccc1C[NH+](C)C ZINC000458294224 934588337 /nfs/dbraw/zinc/58/83/37/934588337.db2.gz VRZITZAOKLIERS-NRFANRHFSA-N 1 0 365.477 3.970 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c(F)c1 ZINC000610946865 934639762 /nfs/dbraw/zinc/63/97/62/934639762.db2.gz SPYDNDIEIYORGB-LJQANCHMSA-N 1 0 358.420 3.801 20 30 FHEDRO C=CCc1ccc(OCC(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c(OC)c1 ZINC000458330204 934710747 /nfs/dbraw/zinc/71/07/47/934710747.db2.gz XXOWBYGBWAYXIK-UHFFFAOYSA-N 1 0 368.477 3.811 20 30 FHEDRO COc1ccc(C[NH+]2CCC([C@@H]3CCCCCN3C(C)=O)CC2)cc1C#N ZINC000610992965 934731435 /nfs/dbraw/zinc/73/14/35/934731435.db2.gz WZZANXXEWORMIH-NRFANRHFSA-N 1 0 369.509 3.570 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4cc(C#N)ccc43)C2=O)cc1 ZINC000611559846 934827088 /nfs/dbraw/zinc/82/70/88/934827088.db2.gz AWACIKSAXQOQJS-FGZHOGPDSA-N 1 0 370.456 3.593 20 30 FHEDRO CC[C@@H](C)c1nnc([C@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000277260378 934848770 /nfs/dbraw/zinc/84/87/70/934848770.db2.gz OUWSOBKWEADFGN-CVEARBPZSA-N 1 0 366.513 3.505 20 30 FHEDRO C=CCOc1cccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000511003875 934853486 /nfs/dbraw/zinc/85/34/86/934853486.db2.gz VQUCEIASQHSIDM-IBGZPJMESA-N 1 0 353.466 3.546 20 30 FHEDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156678155 934858985 /nfs/dbraw/zinc/85/89/85/934858985.db2.gz BRNVESMGXZOVEW-RTWAWAEBSA-N 1 0 360.461 3.798 20 30 FHEDRO CC1(C#N)CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000611562729 934912796 /nfs/dbraw/zinc/91/27/96/934912796.db2.gz YTSPEJHWAXUOSE-IBGZPJMESA-N 1 0 354.498 3.549 20 30 FHEDRO N#Cc1ccccc1NC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728445677 934952063 /nfs/dbraw/zinc/95/20/63/934952063.db2.gz JKBQUTQPZMYYRP-KRWDZBQOSA-N 1 0 356.539 3.843 20 30 FHEDRO C=CCn1c(SCC[NH+](C)C)nnc1-c1ccc(Br)cc1 ZINC000072263000 934997947 /nfs/dbraw/zinc/99/79/47/934997947.db2.gz MXNGZPXTLAMZSM-UHFFFAOYSA-N 1 0 367.316 3.547 20 30 FHEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c(-c2ccccc2)n1 ZINC000157081960 935019774 /nfs/dbraw/zinc/01/97/74/935019774.db2.gz IUHHPIUYGZEMNT-PMACEKPBSA-N 1 0 350.466 3.511 20 30 FHEDRO C=CCC(C)(C)CNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000432097397 945071605 /nfs/dbraw/zinc/07/16/05/945071605.db2.gz ISTZPQWTFZZLAX-UHFFFAOYSA-N 1 0 373.541 3.809 20 30 FHEDRO CSc1ccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1C#N ZINC000892128794 935073304 /nfs/dbraw/zinc/07/33/04/935073304.db2.gz FNOAMTYRTFWGRB-GOSISDBHSA-N 1 0 368.506 3.560 20 30 FHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000071953234 935076897 /nfs/dbraw/zinc/07/68/97/935076897.db2.gz UZPONKBHFLJMAV-QGZVFWFLSA-N 1 0 371.500 3.811 20 30 FHEDRO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000548639842 935097478 /nfs/dbraw/zinc/09/74/78/935097478.db2.gz UHUQQTVARHAMKC-KSSFIOAISA-N 1 0 353.853 3.604 20 30 FHEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000127443005 935120743 /nfs/dbraw/zinc/12/07/43/935120743.db2.gz LAOGZPUSJCXUFG-UHFFFAOYSA-N 1 0 367.415 3.658 20 30 FHEDRO C[N@@H+](Cc1cccc2ccccc21)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051404167 935177397 /nfs/dbraw/zinc/17/73/97/935177397.db2.gz FTIUYEFXNPSPRX-NRFANRHFSA-N 1 0 360.457 3.778 20 30 FHEDRO CC[NH+](CC)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000072025505 935217997 /nfs/dbraw/zinc/21/79/97/935217997.db2.gz MPQQJGJSTLXWHN-UHFFFAOYSA-N 1 0 352.438 3.814 20 30 FHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157981395 935252224 /nfs/dbraw/zinc/25/22/24/935252224.db2.gz GAOJCZXJGCNIQJ-CQSZACIVSA-N 1 0 356.470 3.556 20 30 FHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000051449275 935304474 /nfs/dbraw/zinc/30/44/74/935304474.db2.gz STYZPINLIDJZCQ-JXFKEZNVSA-N 1 0 356.853 3.788 20 30 FHEDRO COC(=O)c1cccc(C[N@H+](C)C[C@H](C)Cc2ccc(OC)cc2)c1C#N ZINC000551650029 935324187 /nfs/dbraw/zinc/32/41/87/935324187.db2.gz BLBQZESSCDZRGN-MRXNPFEDSA-N 1 0 366.461 3.664 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611580575 935363198 /nfs/dbraw/zinc/36/31/98/935363198.db2.gz XZNFVUOXZKHCJZ-FCEWJHQRSA-N 1 0 354.498 3.571 20 30 FHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000582208245 935398102 /nfs/dbraw/zinc/39/81/02/935398102.db2.gz NIFJZQLJZBUVTH-GDBMZVCRSA-N 1 0 373.522 3.597 20 30 FHEDRO C=CCCn1cc(CNCC2([NH2+][C@H](C)c3ccccc3)CCCC2)nn1 ZINC000657369863 935419382 /nfs/dbraw/zinc/41/93/82/935419382.db2.gz HQXAOFFTQQCNGW-GOSISDBHSA-N 1 0 353.514 3.607 20 30 FHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)CC1 ZINC000728483545 935466055 /nfs/dbraw/zinc/46/60/55/935466055.db2.gz JDFBQHHINHFTFR-UHFFFAOYSA-N 1 0 354.400 3.916 20 30 FHEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000015312571 945103249 /nfs/dbraw/zinc/10/32/49/945103249.db2.gz NHLIAYQGPLMLJS-HXUWFJFHSA-N 1 0 352.434 3.791 20 30 FHEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H]1c1ccccc1 ZINC000582302440 935501459 /nfs/dbraw/zinc/50/14/59/935501459.db2.gz VISJEAQIHBCABZ-RBUKOAKNSA-N 1 0 352.434 3.709 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000506724394 945105456 /nfs/dbraw/zinc/10/54/56/945105456.db2.gz BAJABISNRJEFRU-UHFFFAOYSA-N 1 0 364.489 3.780 20 30 FHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000540627625 935512894 /nfs/dbraw/zinc/51/28/94/935512894.db2.gz DXMDBEBSXYGAOK-RTBURBONSA-N 1 0 351.479 3.678 20 30 FHEDRO CCC(CC)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCCC1 ZINC000478201796 935591018 /nfs/dbraw/zinc/59/10/18/935591018.db2.gz VOLKKPQMZPYGGG-FQEVSTJZSA-N 1 0 368.525 3.747 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000178571864 935591255 /nfs/dbraw/zinc/59/12/55/935591255.db2.gz LLRYXLKMBJHQLH-UHFFFAOYSA-N 1 0 372.419 3.741 20 30 FHEDRO C=CCCn1cc(C[NH2+]CC(C)(C)c2ccccc2Br)nn1 ZINC000657413570 935627754 /nfs/dbraw/zinc/62/77/54/935627754.db2.gz LYTHRBULPZIPNB-UHFFFAOYSA-N 1 0 363.303 3.684 20 30 FHEDRO Cc1ccc(C#N)c(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000127615932 935660536 /nfs/dbraw/zinc/66/05/36/935660536.db2.gz KFLVMXRLDNAKAI-UHFFFAOYSA-N 1 0 374.410 3.993 20 30 FHEDRO C=CCCn1cc(CNc2cccc(CC[NH+]3CCC(C)CC3)c2)nn1 ZINC000657423627 935677048 /nfs/dbraw/zinc/67/70/48/935677048.db2.gz JNAQMRVEQIHJLZ-UHFFFAOYSA-N 1 0 353.514 3.741 20 30 FHEDRO C=CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000657429991 935711864 /nfs/dbraw/zinc/71/18/64/935711864.db2.gz VLXDLFADXLMNBA-CYBMUJFWSA-N 1 0 366.296 3.530 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000065549303 935720333 /nfs/dbraw/zinc/72/03/33/935720333.db2.gz YHTYVGOUJHCITR-GOSISDBHSA-N 1 0 373.541 3.903 20 30 FHEDRO Cc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000582461737 935737873 /nfs/dbraw/zinc/73/78/73/935737873.db2.gz VDPKHAMDXDPGQN-UHFFFAOYSA-N 1 0 365.502 3.804 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000582472817 935758362 /nfs/dbraw/zinc/75/83/62/935758362.db2.gz CROKGJJEIILVIJ-IRNNPGBSSA-N 1 0 359.473 3.613 20 30 FHEDRO C=CCCn1cc(C[NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)nn1 ZINC000657442996 935762811 /nfs/dbraw/zinc/76/28/11/935762811.db2.gz VMVRICVBRQAFGX-UHFFFAOYSA-N 1 0 368.378 3.834 20 30 FHEDRO C[NH+](C)[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)c1cccs1 ZINC000158963937 935776366 /nfs/dbraw/zinc/77/63/66/935776366.db2.gz MXSNQVSNCKJOBW-SJORKVTESA-N 1 0 356.495 3.695 20 30 FHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582534262 935806915 /nfs/dbraw/zinc/80/69/15/935806915.db2.gz YMNLKWSQDBEVOI-DNVCBOLYSA-N 1 0 358.511 3.546 20 30 FHEDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113342116 935816612 /nfs/dbraw/zinc/81/66/12/935816612.db2.gz MWCZXCNJTUHEOM-OAQYLSRUSA-N 1 0 360.461 3.595 20 30 FHEDRO COc1ccc([C@@H](CCC#N)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000375716892 935836602 /nfs/dbraw/zinc/83/66/02/935836602.db2.gz DPYFNMFZCUIMKI-PZJWPPBQSA-N 1 0 369.509 3.811 20 30 FHEDRO Cc1cc2[nH]c(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc2c(C)c1 ZINC000479449603 935838835 /nfs/dbraw/zinc/83/88/35/935838835.db2.gz HLLQRMKRHQQFEX-NRFANRHFSA-N 1 0 372.472 3.942 20 30 FHEDRO C[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccc(C#N)cc1F ZINC000479448067 935838988 /nfs/dbraw/zinc/83/89/88/935838988.db2.gz RKKVQCCUJYIRTD-LBPRGKRZSA-N 1 0 365.250 3.787 20 30 FHEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000582569917 935840624 /nfs/dbraw/zinc/84/06/24/935840624.db2.gz PXUGKLIYQCZDIP-HXUWFJFHSA-N 1 0 351.450 3.979 20 30 FHEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000152976394 935889272 /nfs/dbraw/zinc/88/92/72/935889272.db2.gz QOQFAZRKENGHJC-GOSISDBHSA-N 1 0 368.525 3.690 20 30 FHEDRO CC[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000472237714 935916410 /nfs/dbraw/zinc/91/64/10/935916410.db2.gz GRQOPZZTWYHDDR-UNMCSNQZSA-N 1 0 361.489 3.690 20 30 FHEDRO Cc1cccc(NC2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000152995933 935929699 /nfs/dbraw/zinc/92/96/99/935929699.db2.gz FUENQWJWDQVRKS-UHFFFAOYSA-N 1 0 368.506 3.833 20 30 FHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCc1ccc(F)cc1 ZINC000065595646 935931312 /nfs/dbraw/zinc/93/13/12/935931312.db2.gz MRDVNTVUIGNSDW-CYBMUJFWSA-N 1 0 359.832 3.852 20 30 FHEDRO CC[N@@H+]1CCCN(c2c(C#N)cnc3c(Br)c(C)ccc32)CC1 ZINC000479991749 935937396 /nfs/dbraw/zinc/93/73/96/935937396.db2.gz SXDOORUOFAXWCN-UHFFFAOYSA-N 1 0 373.298 3.709 20 30 FHEDRO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(CCC#N)CC1 ZINC000582724440 935990190 /nfs/dbraw/zinc/99/01/90/935990190.db2.gz UNLGDFUCAZFUKH-CYBMUJFWSA-N 1 0 364.287 3.792 20 30 FHEDRO C[NH+]=C(NCC1(SC)CCOCC1)N[C@H](C)c1cc2ccccc2o1 ZINC000075077650 936000000 /nfs/dbraw/zinc/00/00/00/936000000.db2.gz PZPUUUJULODGAA-CQSZACIVSA-N 1 0 361.511 3.571 20 30 FHEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C#N)c1F)C2 ZINC000934610106 936005614 /nfs/dbraw/zinc/00/56/14/936005614.db2.gz HAZCYKGWQCMTDT-XKQJLSEDSA-N 1 0 359.445 3.575 20 30 FHEDRO CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000582733699 936026945 /nfs/dbraw/zinc/02/69/45/936026945.db2.gz AFGMUIMILGOAJA-GCJKJVERSA-N 1 0 361.489 3.990 20 30 FHEDRO N#CCCn1cc(C[NH2+]CCCc2nccs2)c(-c2ccccc2)n1 ZINC000076893010 936036877 /nfs/dbraw/zinc/03/68/77/936036877.db2.gz QTCLULALTBHUFI-UHFFFAOYSA-N 1 0 351.479 3.643 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)ccc1OC ZINC000657598023 936080989 /nfs/dbraw/zinc/08/09/89/936080989.db2.gz HDOFEWQQPXCLBR-OALUTQOASA-N 1 0 372.509 3.673 20 30 FHEDRO CC[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000472261029 936133089 /nfs/dbraw/zinc/13/30/89/936133089.db2.gz PXHNXIVPXAFMKM-IRLDBZIGSA-N 1 0 361.489 3.690 20 30 FHEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2ccoc2)cc1OC ZINC000657652260 936159994 /nfs/dbraw/zinc/15/99/94/936159994.db2.gz DYWYNEZHQJVRTM-UHFFFAOYSA-N 1 0 366.255 3.948 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000582835859 936196202 /nfs/dbraw/zinc/19/62/02/936196202.db2.gz SQXFAXTWQPBJOY-CTNGQTDRSA-N 1 0 366.509 3.596 20 30 FHEDRO COCC[N@H+](C)CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000582838274 936200723 /nfs/dbraw/zinc/20/07/23/936200723.db2.gz BYDQDIJHQDFDML-DHIUTWEWSA-N 1 0 363.505 3.845 20 30 FHEDRO C#CCOc1ccc(C[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000237760070 936236121 /nfs/dbraw/zinc/23/61/21/936236121.db2.gz IVPUWLWPZBFAEL-UHFFFAOYSA-N 1 0 370.443 3.731 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)ccc1OC ZINC000657688951 936257839 /nfs/dbraw/zinc/25/78/39/936257839.db2.gz VOEKCDRRDCWIHK-UXHICEINSA-N 1 0 369.509 3.885 20 30 FHEDRO C=CCC1([NH2+]Cc2ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c2)CCCC1 ZINC000657702639 936298091 /nfs/dbraw/zinc/29/80/91/936298091.db2.gz MDPQPHXNKUVHRV-QGZVFWFLSA-N 1 0 374.525 3.919 20 30 FHEDRO CC[C@H](c1nnc(S[C@H](C#N)CC)n1-c1ccc(OC)cc1)N(C)C ZINC000126999732 938250347 /nfs/dbraw/zinc/25/03/47/938250347.db2.gz CPKFWAIKDHEXHD-JKSUJKDBSA-N 1 0 359.499 3.683 20 30 FHEDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000583432241 938252460 /nfs/dbraw/zinc/25/24/60/938252460.db2.gz KHMHLJPIASSQQT-LJQANCHMSA-N 1 0 361.489 3.963 20 30 FHEDRO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000161732243 938272637 /nfs/dbraw/zinc/27/26/37/938272637.db2.gz SOSHOHWPPCZUBM-INIZCTEOSA-N 1 0 369.440 3.966 20 30 FHEDRO C[C@@H]1CCCC[C@H]1NC(=S)C(C(=O)c1nccs1)[n+]1ccccc1 ZINC000278298686 938292463 /nfs/dbraw/zinc/29/24/63/938292463.db2.gz RJRNEBVVJOMNOZ-ZIAGYGMSSA-O 1 0 360.528 3.538 20 30 FHEDRO Cc1cnc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)s1 ZINC000329246360 938302038 /nfs/dbraw/zinc/30/20/38/938302038.db2.gz RBLGMOBTHPAVEK-UHFFFAOYSA-N 1 0 354.545 3.529 20 30 FHEDRO C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000245681882 938310240 /nfs/dbraw/zinc/31/02/40/938310240.db2.gz HMELYFURWIBMFO-NHCUHLMSSA-N 1 0 361.574 3.550 20 30 FHEDRO C=CCc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1O ZINC000245723036 938313778 /nfs/dbraw/zinc/31/37/78/938313778.db2.gz DOFMVVDRSJPHRZ-AZUAARDMSA-N 1 0 356.510 3.578 20 30 FHEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000278383825 938368602 /nfs/dbraw/zinc/36/86/02/938368602.db2.gz DFJGQSMXQSMJNY-BFYDXBDKSA-N 1 0 361.511 3.567 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2cc[nH]c(=O)c2c1)C(C)C ZINC000425758170 945171315 /nfs/dbraw/zinc/17/13/15/945171315.db2.gz UQDAJVPBONJZPE-LJQANCHMSA-N 1 0 368.481 3.761 20 30 FHEDRO C[C@H](C(=O)Nc1nc2ccccc2s1)N(C)Cc1ccc(C#N)cc1 ZINC000052580711 938407274 /nfs/dbraw/zinc/40/72/74/938407274.db2.gz YIJCHVZDNHWBCL-CYBMUJFWSA-N 1 0 350.447 3.627 20 30 FHEDRO CN(C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000583799796 938419120 /nfs/dbraw/zinc/41/91/20/938419120.db2.gz BYGBDZXNOIZFQE-AEFFLSMTSA-N 1 0 368.868 3.821 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)c(F)c1 ZINC000458685192 938424264 /nfs/dbraw/zinc/42/42/64/938424264.db2.gz WBCQXEAIWRDEPU-ICSRJNTNSA-N 1 0 363.452 3.709 20 30 FHEDRO Cc1ccc2nc(C)c(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)cc2c1 ZINC000329561524 938486451 /nfs/dbraw/zinc/48/64/51/938486451.db2.gz GERZIPPGVIJFMB-QGZVFWFLSA-N 1 0 367.493 3.657 20 30 FHEDRO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000052711681 938504377 /nfs/dbraw/zinc/50/43/77/938504377.db2.gz PTIRGKLJGRMHDY-TZIWHRDSSA-N 1 0 357.498 3.667 20 30 FHEDRO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000506423586 945182594 /nfs/dbraw/zinc/18/25/94/945182594.db2.gz SFVZATOEMVWMQZ-UHFFFAOYSA-N 1 0 368.452 3.739 20 30 FHEDRO COc1ccc(C[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)cc1C#N ZINC000536188547 938537048 /nfs/dbraw/zinc/53/70/48/938537048.db2.gz MWMLRYOTLUZSBT-UHFFFAOYSA-N 1 0 362.376 3.809 20 30 FHEDRO Cc1c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)sc2nccc(C)c12 ZINC000329616296 938540324 /nfs/dbraw/zinc/54/03/24/938540324.db2.gz SLUSULFPMFQOOJ-HNNXBMFYSA-N 1 0 373.522 3.719 20 30 FHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000584026575 938556425 /nfs/dbraw/zinc/55/64/25/938556425.db2.gz SFJBIQXZDUIUFR-QUCCMNQESA-N 1 0 356.510 3.539 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000179036253 938572968 /nfs/dbraw/zinc/57/29/68/938572968.db2.gz OZYFJZOYJXMJFP-MRXNPFEDSA-N 1 0 363.465 3.609 20 30 FHEDRO CC1CC[NH+](CCc2cccc(NC(=O)C3(C#N)CCSCC3)c2)CC1 ZINC000935200785 938636757 /nfs/dbraw/zinc/63/67/57/938636757.db2.gz VQHMBUQMHBQZRM-UHFFFAOYSA-N 1 0 371.550 3.936 20 30 FHEDRO CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000584261294 938663356 /nfs/dbraw/zinc/66/33/56/938663356.db2.gz VTPYUHJUVMBERD-JOCHJYFZSA-N 1 0 361.489 3.960 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1)c1ccc(F)c(F)c1 ZINC000248610350 938671682 /nfs/dbraw/zinc/67/16/82/938671682.db2.gz XATMYGZVNNZVMC-BEFAXECRSA-N 1 0 365.468 3.955 20 30 FHEDRO COc1ccc([C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)N2CCCC2)cc1 ZINC000584321438 938685194 /nfs/dbraw/zinc/68/51/94/938685194.db2.gz VHSZTNCESFXLTM-DHIUTWEWSA-N 1 0 361.489 3.981 20 30 FHEDRO [NH2+]=C(Nc1cccc(OC(F)(F)F)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000262378982 938688153 /nfs/dbraw/zinc/68/81/53/938688153.db2.gz NYSXXDTXWYVQGY-RRFJBIMHSA-N 1 0 369.387 3.660 20 30 FHEDRO Cc1cccc2ncnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c12 ZINC000080765956 938702376 /nfs/dbraw/zinc/70/23/76/938702376.db2.gz SGCRCEKQMOFZHJ-UHFFFAOYSA-N 1 0 357.461 3.522 20 30 FHEDRO N#C[C@]1(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCc2ccccc2C1 ZINC000584385294 938793302 /nfs/dbraw/zinc/79/33/02/938793302.db2.gz CQTVOGZLQXRCHP-DEOSSOPVSA-N 1 0 373.500 3.854 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCN(CC4CC4)C3)c2)c1 ZINC000108425290 945209119 /nfs/dbraw/zinc/20/91/19/945209119.db2.gz NUOZRBUITVBKIJ-JOCHJYFZSA-N 1 0 361.489 3.711 20 30 FHEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000091318595 938900293 /nfs/dbraw/zinc/90/02/93/938900293.db2.gz HYFYXGGJBVXAPO-HNNXBMFYSA-N 1 0 354.885 3.796 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](CCCC#N)c2ccccc2)[C@H](C)C1 ZINC000458799557 938938884 /nfs/dbraw/zinc/93/88/84/938938884.db2.gz JQGFSMKNUJAKPW-RLLQIKCJSA-N 1 0 356.514 3.793 20 30 FHEDRO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000142827121 938946111 /nfs/dbraw/zinc/94/61/11/938946111.db2.gz JUGVJFMBMPPNTA-AWEZNQCLSA-N 1 0 356.451 3.852 20 30 FHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1Cc2ccccc2C1 ZINC000165935459 938960749 /nfs/dbraw/zinc/96/07/49/938960749.db2.gz PXLAGNGFMWWEPL-UHFFFAOYSA-N 1 0 353.853 3.639 20 30 FHEDRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000176873597 938969760 /nfs/dbraw/zinc/96/97/60/938969760.db2.gz RLQBWYSCAYPMIW-CQSZACIVSA-N 1 0 361.461 3.823 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000053076140 938970490 /nfs/dbraw/zinc/97/04/90/938970490.db2.gz WKXCAUIOBDCLJC-QGZVFWFLSA-N 1 0 357.454 3.795 20 30 FHEDRO COc1ccc(C)cc1CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000060197274 938970500 /nfs/dbraw/zinc/97/05/00/938970500.db2.gz VCPDXVCAPXIDIZ-UHFFFAOYSA-N 1 0 367.493 3.827 20 30 FHEDRO C[C@H](CCSc1ccccc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000431596010 938992440 /nfs/dbraw/zinc/99/24/40/938992440.db2.gz MOIZBELOVXEQDU-QGZVFWFLSA-N 1 0 352.507 3.646 20 30 FHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CC[C@@H]2CCCO2)c1C#N ZINC000467154373 938994036 /nfs/dbraw/zinc/99/40/36/938994036.db2.gz YTANJNUSPUJJSN-SFHVURJKSA-N 1 0 372.513 3.531 20 30 FHEDRO FC(F)CN1CC[C@H]([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000926598897 938995731 /nfs/dbraw/zinc/99/57/31/938995731.db2.gz BSKJRJROIGRFLX-JTQLQIEISA-N 1 0 356.301 3.969 20 30 FHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)cc1 ZINC000176986535 939026100 /nfs/dbraw/zinc/02/61/00/939026100.db2.gz ZOXLHIGUCUYHHM-HNNXBMFYSA-N 1 0 369.431 3.731 20 30 FHEDRO Cc1[nH+]c2ccccc2c(N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1C ZINC000612070233 939037238 /nfs/dbraw/zinc/03/72/38/939037238.db2.gz CZSOKHCIEHQTMN-UHFFFAOYSA-N 1 0 373.460 3.915 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000612106073 939054250 /nfs/dbraw/zinc/05/42/50/939054250.db2.gz QYDAFOBWQSPZIT-GCJKJVERSA-N 1 0 368.525 3.896 20 30 FHEDRO N#Cc1cccc(CC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000612132053 939117159 /nfs/dbraw/zinc/11/71/59/939117159.db2.gz QLDZZIYYEFOETM-XPWALMASSA-N 1 0 373.500 3.518 20 30 FHEDRO COc1ccc([C@H](C/N=C/c2cc(Cl)ccc2O)[NH+](C)C)cc1OC ZINC000194860671 945228356 /nfs/dbraw/zinc/22/83/56/945228356.db2.gz NRBSJTVXQGTGIU-XYHOIZSOSA-N 1 0 362.857 3.785 20 30 FHEDRO N#Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)ccc1F ZINC000609451525 939192989 /nfs/dbraw/zinc/19/29/89/939192989.db2.gz ZSAZOPFGWXWMSL-GOSISDBHSA-N 1 0 358.461 3.864 20 30 FHEDRO Cc1nn(-c2ccccc2)c(CN(C)C[C@@H](C)c2nccs2)c1C#N ZINC000612187957 939221681 /nfs/dbraw/zinc/22/16/81/939221681.db2.gz ZRCSXSITDLIAJP-CQSZACIVSA-N 1 0 351.479 3.744 20 30 FHEDRO C=CCOc1ccccc1CN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000506444104 945239378 /nfs/dbraw/zinc/23/93/78/945239378.db2.gz JHTHRCRGECAAGI-UHFFFAOYSA-N 1 0 368.452 3.739 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000507448177 945242135 /nfs/dbraw/zinc/24/21/35/945242135.db2.gz BAPTZPPXZJCJHI-HZPDHXFCSA-N 1 0 373.516 3.848 20 30 FHEDRO C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518238358 945249469 /nfs/dbraw/zinc/24/94/69/945249469.db2.gz UPIYBXYZYCBSOM-QGZVFWFLSA-N 1 0 374.488 3.776 20 30 FHEDRO CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000507462397 945250129 /nfs/dbraw/zinc/25/01/29/945250129.db2.gz DKVCZVKQLCZGGZ-JXFKEZNVSA-N 1 0 365.452 3.995 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414901611 945254548 /nfs/dbraw/zinc/25/45/48/945254548.db2.gz ITBONADWEQLJGQ-MAUKXSAKSA-N 1 0 368.868 3.950 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414901610 945254970 /nfs/dbraw/zinc/25/49/70/945254970.db2.gz ITBONADWEQLJGQ-CRAIPNDOSA-N 1 0 368.868 3.950 20 30 FHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414901613 945255075 /nfs/dbraw/zinc/25/50/75/945255075.db2.gz ITBONADWEQLJGQ-YJBOKZPZSA-N 1 0 368.868 3.950 20 30 FHEDRO Cc1c([C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)cnn1C ZINC000091967015 939884887 /nfs/dbraw/zinc/88/48/87/939884887.db2.gz QFDVJVCYSIXIMX-NRFANRHFSA-N 1 0 374.492 3.843 20 30 FHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000179586312 939892352 /nfs/dbraw/zinc/89/23/52/939892352.db2.gz DYJQPYYYZCXPKL-ZDUSSCGKSA-N 1 0 359.376 3.839 20 30 FHEDRO C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364584887 939967255 /nfs/dbraw/zinc/96/72/55/939967255.db2.gz ISLXHVOJRFXJSR-RXVVDRJESA-N 1 0 373.500 3.617 20 30 FHEDRO C[C@@]1(C#N)CCCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000612357875 940020744 /nfs/dbraw/zinc/02/07/44/940020744.db2.gz SOJNBJGHRJCGCX-QUCCMNQESA-N 1 0 374.916 3.812 20 30 FHEDRO C[C@]1(C#N)CCCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000612372535 940029211 /nfs/dbraw/zinc/02/92/11/940029211.db2.gz RBPDNXHZGARCBW-PZJWPPBQSA-N 1 0 354.498 3.549 20 30 FHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1cccs1 ZINC000065930145 940079942 /nfs/dbraw/zinc/07/99/42/940079942.db2.gz JITWQGQRMOXTJE-UHFFFAOYSA-N 1 0 355.507 3.533 20 30 FHEDRO CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000548936870 940107853 /nfs/dbraw/zinc/10/78/53/940107853.db2.gz PTOHCHNWVKLYGX-BTYIYWSLSA-N 1 0 353.441 3.861 20 30 FHEDRO CC(C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000548936871 940108006 /nfs/dbraw/zinc/10/80/06/940108006.db2.gz PTOHCHNWVKLYGX-QVKFZJNVSA-N 1 0 353.441 3.861 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C2(Cc3ccccc3)CCCC2)cc1 ZINC000612536157 940129560 /nfs/dbraw/zinc/12/95/60/940129560.db2.gz ISYHLPAEDSWIRA-NRFANRHFSA-N 1 0 364.489 3.637 20 30 FHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]C2(Cc3ccccc3)CCCC2)cc1 ZINC000612536161 940129575 /nfs/dbraw/zinc/12/95/75/940129575.db2.gz ISYHLPAEDSWIRA-OAQYLSRUSA-N 1 0 364.489 3.637 20 30 FHEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000413830787 940163603 /nfs/dbraw/zinc/16/36/03/940163603.db2.gz YHTKFZTYYQNYKQ-FQEVSTJZSA-N 1 0 355.526 3.834 20 30 FHEDRO CC(C)(C#N)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000612588185 940164610 /nfs/dbraw/zinc/16/46/10/940164610.db2.gz RLWJJTJHVJJHEF-UHFFFAOYSA-N 1 0 350.304 3.553 20 30 FHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000540888679 940174207 /nfs/dbraw/zinc/17/42/07/940174207.db2.gz WIFDVXYNOCXLQV-UHFFFAOYSA-N 1 0 355.869 3.982 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000413836867 940175352 /nfs/dbraw/zinc/17/53/52/940175352.db2.gz PXIMFWFACVJPEU-LJQANCHMSA-N 1 0 355.482 3.540 20 30 FHEDRO N#Cc1csc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000177707518 940372607 /nfs/dbraw/zinc/37/26/07/940372607.db2.gz GMCIUQGUENBYNF-AWEZNQCLSA-N 1 0 363.433 3.980 20 30 FHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccc(C#N)s1 ZINC000472499565 940438026 /nfs/dbraw/zinc/43/80/26/940438026.db2.gz MKELEXOWOIRVJO-GJZGRUSLSA-N 1 0 353.491 3.506 20 30 FHEDRO C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000580281067 940471626 /nfs/dbraw/zinc/47/16/26/940471626.db2.gz DCEZHQWSUIAUHH-IIBYNOLFSA-N 1 0 373.456 3.626 20 30 FHEDRO CC(C)NC(=O)NCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000580321708 940472677 /nfs/dbraw/zinc/47/26/77/940472677.db2.gz VIFJLFOBCMZQNR-INIZCTEOSA-N 1 0 350.466 3.583 20 30 FHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(C#N)cc1F ZINC000580861012 940489634 /nfs/dbraw/zinc/48/96/34/940489634.db2.gz QMCQMEBBFYFIAO-FQEVSTJZSA-N 1 0 352.457 3.579 20 30 FHEDRO C[C@@H]1[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581334501 940499439 /nfs/dbraw/zinc/49/94/39/940499439.db2.gz YTBPIZVINQEVFC-RDTXWAMCSA-N 1 0 368.868 3.996 20 30 FHEDRO COc1cc(CCC2CC[NH+](Cc3ccc(C#N)cn3)CC2)cc(OC)c1 ZINC000581377932 940502842 /nfs/dbraw/zinc/50/28/42/940502842.db2.gz UPZVVEFGAFUULJ-UHFFFAOYSA-N 1 0 365.477 3.815 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccnc(Oc3ccccc3)c2)CC1 ZINC000173253710 940601251 /nfs/dbraw/zinc/60/12/51/940601251.db2.gz SVBIYPCLBZQEAI-UHFFFAOYSA-N 1 0 352.438 3.646 20 30 FHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000507578146 945333824 /nfs/dbraw/zinc/33/38/24/945333824.db2.gz CTQPAAGUKOQJKG-LRZVDXDASA-N 1 0 359.473 3.786 20 30 FHEDRO COc1ccc([C@@H](C)[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000581924092 940638455 /nfs/dbraw/zinc/63/84/55/940638455.db2.gz YINWEINNBREWOA-IERDGZPVSA-N 1 0 363.461 3.755 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000173661167 940656470 /nfs/dbraw/zinc/65/64/70/940656470.db2.gz USVGHFXREMWNAK-UHFFFAOYSA-N 1 0 355.404 3.953 20 30 FHEDRO C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000180137578 940673782 /nfs/dbraw/zinc/67/37/82/940673782.db2.gz GLJJZEKKVZYGLA-SFHVURJKSA-N 1 0 361.489 3.690 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000174428026 940732997 /nfs/dbraw/zinc/73/29/97/940732997.db2.gz FCPJDQUXUWYLMU-UHFFFAOYSA-N 1 0 370.266 3.750 20 30 FHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330079212 945346650 /nfs/dbraw/zinc/34/66/50/945346650.db2.gz ODOIRYMCSMCSDL-MNEFBYGVSA-N 1 0 369.509 3.809 20 30 FHEDRO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000414213409 940777265 /nfs/dbraw/zinc/77/72/65/940777265.db2.gz SSHLLUOCGWZHEG-CYBMUJFWSA-N 1 0 362.882 3.856 20 30 FHEDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180218284 940828328 /nfs/dbraw/zinc/82/83/28/940828328.db2.gz YRFXXJKCQFYKGU-OAQYLSRUSA-N 1 0 371.488 3.717 20 30 FHEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(Br)cc1OC(F)(F)F ZINC001218205015 940834768 /nfs/dbraw/zinc/83/47/68/940834768.db2.gz UTVXELXEXRBLRS-LBPRGKRZSA-N 1 0 352.150 3.645 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)c2ccc(F)c(F)c2)CC1 ZINC000175511245 940880904 /nfs/dbraw/zinc/88/09/04/940880904.db2.gz MRTBTFWILHWZRN-UHFFFAOYSA-N 1 0 351.441 3.540 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000414292923 940907127 /nfs/dbraw/zinc/90/71/27/940907127.db2.gz CLBUBIVINJFTLS-QFBILLFUSA-N 1 0 373.518 3.937 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC000892603415 940919125 /nfs/dbraw/zinc/91/91/25/940919125.db2.gz LKWZQQIQXXPKNO-ARFHVFGLSA-N 1 0 354.372 3.558 20 30 FHEDRO CCOc1cccc(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180333205 940973741 /nfs/dbraw/zinc/97/37/41/940973741.db2.gz KVCBUTAQZMXIDX-UHFFFAOYSA-N 1 0 360.461 3.690 20 30 FHEDRO CN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000186299000 940976504 /nfs/dbraw/zinc/97/65/04/940976504.db2.gz KSPDPPIFSIGOAS-UHFFFAOYSA-N 1 0 370.428 3.905 20 30 FHEDRO CC[C@@H](C)n1ncc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1C ZINC000330120602 945364676 /nfs/dbraw/zinc/36/46/76/945364676.db2.gz JDLWWIWSUGOKGS-UPTPFMHGSA-N 1 0 361.534 3.904 20 30 FHEDRO Cc1ccc([C@H](NC(=O)CN2C[C@H](C)O[C@]3(CCCOC3)C2)C2CC2)cc1 ZINC000330123325 945365164 /nfs/dbraw/zinc/36/51/64/945365164.db2.gz KTNZRISFCALJCX-BULFRSBZSA-N 1 0 372.509 3.673 20 30 FHEDRO C[NH+]1CCC(C)(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000540956501 940998740 /nfs/dbraw/zinc/99/87/40/940998740.db2.gz IJFVEJIAFSPHSL-UHFFFAOYSA-N 1 0 362.477 3.764 20 30 FHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255910899 941015132 /nfs/dbraw/zinc/01/51/32/941015132.db2.gz XSKCOAIYYJAVNZ-KHPPLWFESA-N 1 0 359.473 3.661 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659032899 941034710 /nfs/dbraw/zinc/03/47/10/941034710.db2.gz SPGGKBFMSUHVQF-SFHVURJKSA-N 1 0 357.479 3.629 20 30 FHEDRO N#CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000180552276 941046669 /nfs/dbraw/zinc/04/66/69/941046669.db2.gz NLGTTYYXEQEWEU-PXNSSMCTSA-N 1 0 365.433 3.998 20 30 FHEDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000180695992 941064814 /nfs/dbraw/zinc/06/48/14/941064814.db2.gz LAGZUJFZFFXBOH-ZDUSSCGKSA-N 1 0 357.841 3.900 20 30 FHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccn1C1CCCC1 ZINC000180706095 941067821 /nfs/dbraw/zinc/06/78/21/941067821.db2.gz OTMOIESDYBLLIF-UHFFFAOYSA-N 1 0 364.493 3.679 20 30 FHEDRO C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180857781 941086040 /nfs/dbraw/zinc/08/60/40/941086040.db2.gz LQNIVGHGRYITOW-RDJZCZTQSA-N 1 0 371.529 3.889 20 30 FHEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccnc1 ZINC000181297166 941120456 /nfs/dbraw/zinc/12/04/56/941120456.db2.gz BWMAPJUIYCEIEZ-CYBMUJFWSA-N 1 0 354.479 3.573 20 30 FHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177539341 941135049 /nfs/dbraw/zinc/13/50/49/941135049.db2.gz ILXIYYHOIUMBMK-YESZJQIVSA-N 1 0 357.523 3.999 20 30 FHEDRO CN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)C1(C#N)CCCCC1 ZINC000472621372 941139574 /nfs/dbraw/zinc/13/95/74/941139574.db2.gz DAHJGEDQFBFZOO-WOJBJXKFSA-N 1 0 353.510 3.672 20 30 FHEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000376568294 941156177 /nfs/dbraw/zinc/15/61/77/941156177.db2.gz DRRBDLTUZLEXIA-PXNSSMCTSA-N 1 0 364.493 3.644 20 30 FHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376570096 941157740 /nfs/dbraw/zinc/15/77/40/941157740.db2.gz IYSRXZNUAUSLQD-UHFFFAOYSA-N 1 0 359.473 3.972 20 30 FHEDRO CC[C@@](C)(O)C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000189722615 941267787 /nfs/dbraw/zinc/26/77/87/941267787.db2.gz CUWPWCCOGSSAMP-JOCHJYFZSA-N 1 0 365.477 3.550 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000659472574 941290972 /nfs/dbraw/zinc/29/09/72/941290972.db2.gz OLFOGOYWSDCOIN-OAGGEKHMSA-N 1 0 373.394 3.793 20 30 FHEDRO COc1ccc(CN[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)cn1 ZINC000376841779 941448028 /nfs/dbraw/zinc/44/80/28/941448028.db2.gz JPRYMRJNUZSCKH-ZDUSSCGKSA-N 1 0 350.447 3.936 20 30 FHEDRO C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000376927279 941468223 /nfs/dbraw/zinc/46/82/23/941468223.db2.gz OIOIKBUCXWQHCM-UHFFFAOYSA-N 1 0 371.706 3.704 20 30 FHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCC(C)(C)CCC#N ZINC000376992621 941489015 /nfs/dbraw/zinc/48/90/15/941489015.db2.gz ITBPHEYBZUTVPR-SFHVURJKSA-N 1 0 356.514 3.622 20 30 FHEDRO C[C@H]1CCN(C(=O)NCC(C)(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000377043496 941501603 /nfs/dbraw/zinc/50/16/03/941501603.db2.gz FMTMWNIAKJSWSW-SFHVURJKSA-N 1 0 356.514 3.622 20 30 FHEDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000415007093 941538255 /nfs/dbraw/zinc/53/82/55/941538255.db2.gz LEODUYBAXJWWAP-QGZVFWFLSA-N 1 0 352.438 3.845 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000415023791 941547863 /nfs/dbraw/zinc/54/78/63/941547863.db2.gz NPIHRLUWRHFSBO-MRXNPFEDSA-N 1 0 350.422 3.614 20 30 FHEDRO C[NH2+]CC1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000415049475 941565574 /nfs/dbraw/zinc/56/55/74/941565574.db2.gz YDFGQRQYNRDGEG-UHFFFAOYSA-N 1 0 364.449 3.814 20 30 FHEDRO C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H](C[NH3+])C1 ZINC000415048762 941566125 /nfs/dbraw/zinc/56/61/25/941566125.db2.gz XHOZUMAFGOYSAT-MAUKXSAKSA-N 1 0 364.449 3.942 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000415063898 941577191 /nfs/dbraw/zinc/57/71/91/941577191.db2.gz PVSQNVDYAIOLTR-OAQYLSRUSA-N 1 0 364.449 3.862 20 30 FHEDRO CC[N@H+](CCC1CCN(c2nc3ccccn3c2C#N)CC1)CC(C)C ZINC000541113410 941605598 /nfs/dbraw/zinc/60/55/98/941605598.db2.gz ALTDRGXSCLNUJL-UHFFFAOYSA-N 1 0 353.514 3.790 20 30 FHEDRO CC(C)([NH3+])CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000892862120 941626750 /nfs/dbraw/zinc/62/67/50/941626750.db2.gz XKSIFRMQGPMOSZ-UHFFFAOYSA-N 1 0 368.456 3.537 20 30 FHEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000415148416 941633842 /nfs/dbraw/zinc/63/38/42/941633842.db2.gz LBGSNHSPTLCZDD-GDBMZVCRSA-N 1 0 350.422 3.552 20 30 FHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC[C@@H]1[NH3+] ZINC000415236422 941691525 /nfs/dbraw/zinc/69/15/25/941691525.db2.gz FTSNTGSCKSCNAQ-DYVFJYSZSA-N 1 0 368.412 3.691 20 30 FHEDRO COC(=O)[C@H](C)C[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000472759559 941694328 /nfs/dbraw/zinc/69/43/28/941694328.db2.gz YWBMYBCYAMVUHW-GOSISDBHSA-N 1 0 350.462 3.627 20 30 FHEDRO CC(C)(C)OC(=O)C1CCN(c2ccc(C[NH2+]CCCCC#N)o2)CC1 ZINC000892930376 941694454 /nfs/dbraw/zinc/69/44/54/941694454.db2.gz VJRMFTGDSFIBER-UHFFFAOYSA-N 1 0 361.486 3.621 20 30 FHEDRO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000415240854 941695949 /nfs/dbraw/zinc/69/59/49/941695949.db2.gz RDMSSFNPKPTDRO-MRXNPFEDSA-N 1 0 368.412 3.705 20 30 FHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C[C@H](C)O)c2ccccc2)cc1Cl ZINC000122399952 941713555 /nfs/dbraw/zinc/71/35/55/941713555.db2.gz VOISTQACJHPOPB-DZGCQCFKSA-N 1 0 361.873 3.630 20 30 FHEDRO C=C(C)Cn1c(CC)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000549246421 941735799 /nfs/dbraw/zinc/73/57/99/941735799.db2.gz IINCIHGYADIDQK-LJQANCHMSA-N 1 0 353.514 3.517 20 30 FHEDRO C=C(C)Cn1c(C2CC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549247868 941738725 /nfs/dbraw/zinc/73/87/25/941738725.db2.gz FLGANOQGRATBRT-ZWKOTPCHSA-N 1 0 357.546 3.822 20 30 FHEDRO C[C@H](NC(=[NH2+])Nc1cccc2c1CCCC2)c1ccc([S@](C)=O)cc1 ZINC000261621799 941780926 /nfs/dbraw/zinc/78/09/26/941780926.db2.gz BKXJJDZGOHXVLL-SXBQZSJRSA-N 1 0 355.507 3.791 20 30 FHEDRO C=C(C)Cn1c(C)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000549273143 941812188 /nfs/dbraw/zinc/81/21/88/941812188.db2.gz USTWOKNUAIFIMF-HXUWFJFHSA-N 1 0 353.514 3.654 20 30 FHEDRO N#Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000122590461 941823445 /nfs/dbraw/zinc/82/34/45/941823445.db2.gz WXIONTIOQUFCSG-MRXNPFEDSA-N 1 0 359.882 3.840 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1cccs1 ZINC000513281063 941828659 /nfs/dbraw/zinc/82/86/59/941828659.db2.gz JKWGDBVNASIIIC-MGPUTAFESA-N 1 0 371.481 3.501 20 30 FHEDRO Cc1nnc(CNC(N[C@H](C)c2ccccc2Cl)=[NH+]C2CCCC2)n1C ZINC000261973937 941833510 /nfs/dbraw/zinc/83/35/10/941833510.db2.gz NHNPPJCHNWOYMB-CYBMUJFWSA-N 1 0 374.920 3.516 20 30 FHEDRO Cc1nnc(CNC(N[C@@H](C)c2ccc(Cl)cc2)=[NH+]C2CCCC2)n1C ZINC000262017606 941839396 /nfs/dbraw/zinc/83/93/96/941839396.db2.gz YBDZMGJHMDGKCG-ZDUSSCGKSA-N 1 0 374.920 3.516 20 30 FHEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000047608603 941840659 /nfs/dbraw/zinc/84/06/59/941840659.db2.gz TYQQFTLFAXDUCO-GJZGRUSLSA-N 1 0 367.449 3.643 20 30 FHEDRO C[C@@H](NC(=[NH2+])NCc1nccc(C(F)F)n1)c1ccc(Cl)cc1Cl ZINC000262342158 941885398 /nfs/dbraw/zinc/88/53/98/941885398.db2.gz YVFHIKVDQRSTND-MRVPVSSYSA-N 1 0 374.222 3.887 20 30 FHEDRO CN(C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CC[NH2+]CC1 ZINC000415537678 941889924 /nfs/dbraw/zinc/88/99/24/941889924.db2.gz PMJYSQOLCILBEB-UHFFFAOYSA-N 1 0 350.422 3.566 20 30 FHEDRO CCc1ccc([C@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)cc1 ZINC000513395933 941890223 /nfs/dbraw/zinc/89/02/23/941890223.db2.gz BRGPUSXMCSRKMR-QFIPXVFZSA-N 1 0 361.489 3.616 20 30 FHEDRO C=C(C)COc1cc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)ccc1OC ZINC000513383433 941892695 /nfs/dbraw/zinc/89/26/95/941892695.db2.gz JOQWCFBGHGGQEL-UHFFFAOYSA-N 1 0 371.481 3.895 20 30 FHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000513398496 941895277 /nfs/dbraw/zinc/89/52/77/941895277.db2.gz TZJRZPJPNBXYPO-SFHVURJKSA-N 1 0 352.434 3.619 20 30 FHEDRO N#Cc1ccc([C@@H]([NH2+]C2CCC(c3ccc(F)cc3)CC2)C(N)=O)cc1 ZINC000513440427 941927630 /nfs/dbraw/zinc/92/76/30/941927630.db2.gz ZGJTYOYHEBDFIS-RRWXTXHCSA-N 1 0 351.425 3.540 20 30 FHEDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926894699 941931902 /nfs/dbraw/zinc/93/19/02/941931902.db2.gz PFFBGACEIZOCTK-JKSUJKDBSA-N 1 0 367.534 3.709 20 30 FHEDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926894689 941931985 /nfs/dbraw/zinc/93/19/85/941931985.db2.gz PFFBGACEIZOCTK-CVEARBPZSA-N 1 0 367.534 3.709 20 30 FHEDRO N#CC1(CCC[NH2+][C@H]2c3ccccc3CC23CCOCC3)CCOCC1 ZINC000377732547 941943209 /nfs/dbraw/zinc/94/32/09/941943209.db2.gz MQLINCCTJKWVMJ-FQEVSTJZSA-N 1 0 354.494 3.771 20 30 FHEDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000182587481 941945524 /nfs/dbraw/zinc/94/55/24/941945524.db2.gz XICUDYNMUXZOML-SFHVURJKSA-N 1 0 362.882 3.726 20 30 FHEDRO C=C(C)[C@H](NC(=O)N(C)CC[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000651039529 941961476 /nfs/dbraw/zinc/96/14/76/941961476.db2.gz NAOTWNSHALZXMP-SFHVURJKSA-N 1 0 351.441 3.709 20 30 FHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000513560267 942016606 /nfs/dbraw/zinc/01/66/06/942016606.db2.gz MLMWTDFJRKOUER-HSZRJFAPSA-N 1 0 369.468 3.748 20 30 FHEDRO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415809877 942063685 /nfs/dbraw/zinc/06/36/85/942063685.db2.gz UVQTWIINYNZWDQ-YOEHRIQHSA-N 1 0 366.490 3.958 20 30 FHEDRO CN(C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)[C@H](C[NH3+])C1CC1 ZINC000415811387 942064321 /nfs/dbraw/zinc/06/43/21/942064321.db2.gz XJCNBNOOWCQSKU-GOSISDBHSA-N 1 0 366.490 3.910 20 30 FHEDRO COc1ccc(C[N@H+](CCCSCC#N)CCc2ccccn2)cc1 ZINC000280499618 942191836 /nfs/dbraw/zinc/19/18/36/942191836.db2.gz MWLWECPGXLCIHB-UHFFFAOYSA-N 1 0 355.507 3.782 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 ZINC000280481241 942193261 /nfs/dbraw/zinc/19/32/61/942193261.db2.gz JFWLRDIBWWXYSH-UHFFFAOYSA-N 1 0 373.497 3.722 20 30 FHEDRO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000513729962 942216256 /nfs/dbraw/zinc/21/62/56/942216256.db2.gz UPTXTINMYRMZBQ-UHFFFAOYSA-N 1 0 352.434 3.619 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC1 ZINC000502116416 942224564 /nfs/dbraw/zinc/22/45/64/942224564.db2.gz XLMIIYYQNXMLFG-UHFFFAOYSA-N 1 0 356.514 3.600 20 30 FHEDRO Cc1oc(C#N)cc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000280690181 942230048 /nfs/dbraw/zinc/23/00/48/942230048.db2.gz FQPHQRGOQVIFLA-UHFFFAOYSA-N 1 0 355.463 3.569 20 30 FHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H](CCCC#N)c3ccccc3)CC[C@H]21 ZINC000458809113 942242554 /nfs/dbraw/zinc/24/25/54/942242554.db2.gz ZWKRMNMCPRASDJ-VAMGGRTRSA-N 1 0 354.498 3.547 20 30 FHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(CN2CCOCC2)c1 ZINC000420900872 942246054 /nfs/dbraw/zinc/24/60/54/942246054.db2.gz IWRNYZAJQLYDFT-UHFFFAOYSA-N 1 0 363.505 3.803 20 30 FHEDRO CSc1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000500992345 942250669 /nfs/dbraw/zinc/25/06/69/942250669.db2.gz BYRQYVHZXFRNCC-LRDDRELGSA-N 1 0 357.504 3.798 20 30 FHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCOc3ccccc3)CC2)c1 ZINC000502173309 942264435 /nfs/dbraw/zinc/26/44/35/942264435.db2.gz NNKJKPKODSMNIO-UHFFFAOYSA-N 1 0 363.461 3.678 20 30 FHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC(C)(C)CCC#N ZINC000502175127 942264611 /nfs/dbraw/zinc/26/46/11/942264611.db2.gz QOOWCFMFBRCSHE-IBGZPJMESA-N 1 0 358.530 3.772 20 30 FHEDRO C[C@@H]([NH2+]C1(CNC(=O)NCC2(C#N)CCC2)CCCC1)c1ccccc1 ZINC000419448984 942268101 /nfs/dbraw/zinc/26/81/01/942268101.db2.gz JPTMMOGODAACHE-QGZVFWFLSA-N 1 0 354.498 3.643 20 30 FHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](CC(F)(F)F)C3)C2=O)cc1 ZINC000420954399 942273952 /nfs/dbraw/zinc/27/39/52/942273952.db2.gz UUSCMKUFBNLYHZ-DOTOQJQBSA-N 1 0 365.399 3.718 20 30 FHEDRO N#CCCN(C(=O)C[NH2+][C@H](CC(F)F)c1ccccc1)c1ccccc1 ZINC000420987313 942283289 /nfs/dbraw/zinc/28/32/89/942283289.db2.gz OSDZNUIGJLXVKD-GOSISDBHSA-N 1 0 357.404 3.919 20 30 FHEDRO CC[N@H+](CCOc1ccccc1C)CCC(=O)Nc1sccc1C#N ZINC000420971004 942285525 /nfs/dbraw/zinc/28/55/25/942285525.db2.gz HAKQJKSWKQKELG-UHFFFAOYSA-N 1 0 357.479 3.658 20 30 FHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(OC)cc1 ZINC000161694595 942298307 /nfs/dbraw/zinc/29/83/07/942298307.db2.gz QUAJLMNABCRGHS-FQEVSTJZSA-N 1 0 350.466 3.672 20 30 FHEDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1OCCCC#N ZINC000414490047 942301586 /nfs/dbraw/zinc/30/15/86/942301586.db2.gz UVRFYOLSVUEJMX-UXHICEINSA-N 1 0 366.461 3.686 20 30 FHEDRO C[C@H](C[NH+]1CCN(c2ncccc2C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501091151 942303083 /nfs/dbraw/zinc/30/30/83/942303083.db2.gz PREMGWIGTMGDBU-OAHLLOKOSA-N 1 0 374.410 3.898 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccccc2OCC(F)(F)F)ccc1C#N ZINC000584559077 942312574 /nfs/dbraw/zinc/31/25/74/942312574.db2.gz ZCMKGILHCWBILA-UHFFFAOYSA-N 1 0 350.340 3.798 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)CC(C)C ZINC000180025050 942316139 /nfs/dbraw/zinc/31/61/39/942316139.db2.gz DOEXALCVVYETCY-DLBZAZTESA-N 1 0 360.502 3.855 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCC34CCOCC4)C2)c(F)c1 ZINC000502291595 942336180 /nfs/dbraw/zinc/33/61/80/942336180.db2.gz VFDNTHKNXCHIDM-FXAWDEMLSA-N 1 0 357.473 3.605 20 30 FHEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000366775723 942343181 /nfs/dbraw/zinc/34/31/81/942343181.db2.gz WJIVOPQFCGBDOI-KUHUBIRLSA-N 1 0 372.875 3.746 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000378168690 942347473 /nfs/dbraw/zinc/34/74/73/942347473.db2.gz MDBCMCDVHWRQKJ-UHFFFAOYSA-N 1 0 367.518 3.944 20 30 FHEDRO C=CCOc1c(Cl)cc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1OC ZINC000628338539 942376796 /nfs/dbraw/zinc/37/67/96/942376796.db2.gz NQNCKTXXUWLXAF-KDURUIRLSA-N 1 0 351.874 3.772 20 30 FHEDRO Clc1ccccc1C#CC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549406408 942456245 /nfs/dbraw/zinc/45/62/45/942456245.db2.gz RKTWKVPLRWDGIX-UHFFFAOYSA-N 1 0 362.864 3.937 20 30 FHEDRO N#Cc1c(Cl)nsc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000366858444 942469097 /nfs/dbraw/zinc/46/90/97/942469097.db2.gz PBDYTNIKNXUTQV-UHFFFAOYSA-N 1 0 364.824 3.885 20 30 FHEDRO N#Cc1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1F ZINC000421320730 942480421 /nfs/dbraw/zinc/48/04/21/942480421.db2.gz CMERHZLTLUBUHX-HXUWFJFHSA-N 1 0 373.859 3.514 20 30 FHEDRO CC(C)(C#N)c1ccc(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000414830179 942482544 /nfs/dbraw/zinc/48/25/44/942482544.db2.gz NMYFJLCQQZTWOD-UHFFFAOYSA-N 1 0 366.509 3.763 20 30 FHEDRO CCOc1ccc(C2(C[NH2+]Cc3ccc(C#N)c(F)c3)CCOCC2)cc1 ZINC000421327856 942485351 /nfs/dbraw/zinc/48/53/51/942485351.db2.gz RKQONSINQMTYIH-UHFFFAOYSA-N 1 0 368.452 3.934 20 30 FHEDRO CCc1oc(C(=O)OC)cc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528152 942502399 /nfs/dbraw/zinc/50/23/99/942502399.db2.gz JVSKFUCWSJLYSA-UHFFFAOYSA-N 1 0 350.418 3.790 20 30 FHEDRO N#Cc1ccc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)cc1F ZINC000421337849 942510570 /nfs/dbraw/zinc/51/05/70/942510570.db2.gz AZXNHVVZYXEOLZ-UHFFFAOYSA-N 1 0 373.737 3.933 20 30 FHEDRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000421359102 942512269 /nfs/dbraw/zinc/51/22/69/942512269.db2.gz VQIDSVNZRHSSEK-OAQYLSRUSA-N 1 0 355.457 3.877 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cc1F ZINC000421367367 942519015 /nfs/dbraw/zinc/51/90/15/942519015.db2.gz SSHAYGZBVUWLKY-HNNXBMFYSA-N 1 0 361.367 3.667 20 30 FHEDRO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502548419 942525644 /nfs/dbraw/zinc/52/56/44/942525644.db2.gz KXBIIBPXNZBDSZ-QFIPXVFZSA-N 1 0 362.473 3.704 20 30 FHEDRO COC(=O)c1cccc(NC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000421357805 942530710 /nfs/dbraw/zinc/53/07/10/942530710.db2.gz QVFLRWCYPBRRJX-UHFFFAOYSA-N 1 0 367.424 3.560 20 30 FHEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000502554866 942537907 /nfs/dbraw/zinc/53/79/07/942537907.db2.gz UADZDIDHWVERAW-IBGZPJMESA-N 1 0 368.864 3.741 20 30 FHEDRO N#CCCC[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000416238709 942538473 /nfs/dbraw/zinc/53/84/73/942538473.db2.gz ISIUMUOHFRZNRQ-QFIPXVFZSA-N 1 0 361.489 3.986 20 30 FHEDRO N#Cc1cccc(OCC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000502559370 942540356 /nfs/dbraw/zinc/54/03/56/942540356.db2.gz MOCHCCHMRJMHGP-HXUWFJFHSA-N 1 0 356.853 3.582 20 30 FHEDRO CC[C@H]1C[C@]1([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(C)c1 ZINC000502594707 942568138 /nfs/dbraw/zinc/56/81/38/942568138.db2.gz VPBZBLWFCXILGJ-GHTZIAJQSA-N 1 0 368.502 3.555 20 30 FHEDRO N#CCCn1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)c(-c2ccccc2)n1 ZINC000378330363 942592374 /nfs/dbraw/zinc/59/23/74/942592374.db2.gz AAQQOJNHTOJOTR-UHFFFAOYSA-N 1 0 360.465 3.566 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccc(OCC#N)cc1 ZINC000181754983 942607878 /nfs/dbraw/zinc/60/78/78/942607878.db2.gz GKLYPHYSSXAEOJ-AUUYWEPGSA-N 1 0 359.420 3.821 20 30 FHEDRO CC1(C)CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H]1C#N ZINC000434446995 942670953 /nfs/dbraw/zinc/67/09/53/942670953.db2.gz SGUXCUAXWBBVDZ-MJGOQNOKSA-N 1 0 357.473 3.578 20 30 FHEDRO CC1(C)CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H]1C#N ZINC000434446990 942671214 /nfs/dbraw/zinc/67/12/14/942671214.db2.gz SGUXCUAXWBBVDZ-HKUYNNGSSA-N 1 0 357.473 3.578 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC000414547359 942763607 /nfs/dbraw/zinc/76/36/07/942763607.db2.gz ZGLKCQYFNOYRCR-JOCHJYFZSA-N 1 0 367.489 3.871 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]Cc2cccc(OCC(F)F)c2)O1 ZINC000378448791 942779577 /nfs/dbraw/zinc/77/95/77/942779577.db2.gz DQFWBNDCYMAPKD-BDXSIMOUSA-N 1 0 350.409 3.660 20 30 FHEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)cc1OC ZINC000378459440 942793154 /nfs/dbraw/zinc/79/31/54/942793154.db2.gz ZSGMHZLONQLLSB-ZMHJYQQXSA-N 1 0 372.509 3.712 20 30 FHEDRO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000312175323 942798751 /nfs/dbraw/zinc/79/87/51/942798751.db2.gz FAXUTWBSSUHAKN-GPMSIDNRSA-N 1 0 373.497 3.623 20 30 FHEDRO CC(C)[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000513758431 942802208 /nfs/dbraw/zinc/80/22/08/942802208.db2.gz BUOHSFPHGVOCPR-FQEVSTJZSA-N 1 0 355.869 3.815 20 30 FHEDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000514177708 942803077 /nfs/dbraw/zinc/80/30/77/942803077.db2.gz GHWWNOUVVIXIBN-QFIPXVFZSA-N 1 0 361.489 3.949 20 30 FHEDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000514177707 942803181 /nfs/dbraw/zinc/80/31/81/942803181.db2.gz GHWWNOUVVIXIBN-JOCHJYFZSA-N 1 0 361.489 3.949 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2Nc2cccc(C[NH+]3CCSCC3)c2)O1 ZINC000378472160 942807403 /nfs/dbraw/zinc/80/74/03/942807403.db2.gz GKZNYDVLAYSCDS-XRXFAXGQSA-N 1 0 371.550 3.887 20 30 FHEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2Nc2cccc(C[NH+]3CCSCC3)c2)O1 ZINC000378472158 942807446 /nfs/dbraw/zinc/80/74/46/942807446.db2.gz GKZNYDVLAYSCDS-MXEMCNAFSA-N 1 0 371.550 3.887 20 30 FHEDRO CCCCCCCCCCC(=O)N1CC[C@H]2CN(COCCOC)C[C@H]21 ZINC001269832198 942840804 /nfs/dbraw/zinc/84/08/04/942840804.db2.gz JAYLQENVPBBNLY-VQTJNVASSA-N 1 0 368.562 3.670 20 30 FHEDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000190190695 942849775 /nfs/dbraw/zinc/84/97/75/942849775.db2.gz SRTGGAQDFAJYGB-OAHLLOKOSA-N 1 0 353.388 3.797 20 30 FHEDRO Cc1ccccc1[C@]1(F)CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000502940539 942870854 /nfs/dbraw/zinc/87/08/54/942870854.db2.gz QVNNFYXBRDTMFD-NRFANRHFSA-N 1 0 351.425 3.766 20 30 FHEDRO CCOc1cc(C[NH2+]CC2(CC#N)CC2)cc(Br)c1OC ZINC000430078881 942889758 /nfs/dbraw/zinc/88/97/58/942889758.db2.gz SVTJAAJNKQIKHW-UHFFFAOYSA-N 1 0 353.260 3.640 20 30 FHEDRO COc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1OCCCC#N ZINC000430081907 942892436 /nfs/dbraw/zinc/89/24/36/942892436.db2.gz CQNGJXDNOFGUON-ZWKOTPCHSA-N 1 0 350.409 3.855 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000664445488 942955077 /nfs/dbraw/zinc/95/50/77/942955077.db2.gz XCICLMYENFSEAT-HDICACEKSA-N 1 0 354.498 3.543 20 30 FHEDRO Cc1cc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000503113946 942995499 /nfs/dbraw/zinc/99/54/99/942995499.db2.gz DLQKNCBJHLZOOH-UHFFFAOYSA-N 1 0 373.460 3.675 20 30 FHEDRO C[C@H](CCNC(=O)C1(c2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000434841077 942997170 /nfs/dbraw/zinc/99/71/70/942997170.db2.gz DZRSIZAKFTXTQB-GOSISDBHSA-N 1 0 361.489 3.617 20 30 FHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000184343935 943001146 /nfs/dbraw/zinc/00/11/46/943001146.db2.gz RBZVYVFCKZQGGE-SJORKVTESA-N 1 0 366.465 3.619 20 30 FHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc2c(c1)CCCC2 ZINC000434861598 943014108 /nfs/dbraw/zinc/01/41/08/943014108.db2.gz ARUKIAGEQHMORQ-AUUYWEPGSA-N 1 0 365.502 3.955 20 30 FHEDRO N#CC1(CCC[NH+]2CCN(c3ccc(F)cc3Cl)CC2)CCOCC1 ZINC000281983307 943018600 /nfs/dbraw/zinc/01/86/00/943018600.db2.gz MCQKWLLMVDDSPV-UHFFFAOYSA-N 1 0 365.880 3.702 20 30 FHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1ccc(C#N)s1)c1ccccc1 ZINC000422160516 943028410 /nfs/dbraw/zinc/02/84/10/943028410.db2.gz JHNYFBXDIHYMSD-AWEZNQCLSA-N 1 0 356.495 3.548 20 30 FHEDRO COCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000434896137 943034045 /nfs/dbraw/zinc/03/40/45/943034045.db2.gz OTYUUDVEUTYILU-QGZVFWFLSA-N 1 0 351.450 3.596 20 30 FHEDRO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000416696761 943047929 /nfs/dbraw/zinc/04/79/29/943047929.db2.gz VTTWHMONFPNSTR-OAQYLSRUSA-N 1 0 368.525 3.891 20 30 FHEDRO COCC[N@H+](C)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 ZINC000505583000 943081636 /nfs/dbraw/zinc/08/16/36/943081636.db2.gz XVFREDTYVOINQD-HXUWFJFHSA-N 1 0 368.437 3.588 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2C)cc1 ZINC000505583153 943082212 /nfs/dbraw/zinc/08/22/12/943082212.db2.gz ZLFUFZOGJSYEAX-PXNSSMCTSA-N 1 0 357.498 3.842 20 30 FHEDRO C=CC[N@H+](CCc1ccco1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434987389 943086481 /nfs/dbraw/zinc/08/64/81/943086481.db2.gz UHJAXMNTFCJKRQ-UHFFFAOYSA-N 1 0 361.449 3.682 20 30 FHEDRO COc1ccc([C@H](CNc2ccc(Cl)c(C#N)n2)[NH+]2CCCC2)cc1 ZINC000067346552 943098636 /nfs/dbraw/zinc/09/86/36/943098636.db2.gz VHVSCCQNVAAFIJ-SFHVURJKSA-N 1 0 356.857 3.864 20 30 FHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000435020155 943100892 /nfs/dbraw/zinc/10/08/92/943100892.db2.gz NQFMLDGUZKPQCA-AZUAARDMSA-N 1 0 365.521 3.703 20 30 FHEDRO C=CCc1cc(C[NH+]2CCC(c3ccnn3CC)CC2)cc(OC)c1O ZINC000435042403 943107986 /nfs/dbraw/zinc/10/79/86/943107986.db2.gz MNVHQIXCFSKUEK-UHFFFAOYSA-N 1 0 355.482 3.725 20 30 FHEDRO N#Cc1cccc(C2(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)c1 ZINC000435026721 943110967 /nfs/dbraw/zinc/11/09/67/943110967.db2.gz JMIADFRWBLKSHJ-QFIPXVFZSA-N 1 0 373.500 3.761 20 30 FHEDRO C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272193856 943111262 /nfs/dbraw/zinc/11/12/62/943111262.db2.gz BZJUXPOGBRIIBJ-NQIIRXRSSA-N 1 0 373.500 3.882 20 30 FHEDRO N#Cc1c(CN2CCC(N3CCc4ccccc43)CC2)cn2ccccc12 ZINC000503371466 943144626 /nfs/dbraw/zinc/14/46/26/943144626.db2.gz BFDSQYDRXHLTHF-UHFFFAOYSA-N 1 0 356.473 3.838 20 30 FHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2nc(C)oc2c1)C(C)C ZINC000503408866 943167906 /nfs/dbraw/zinc/16/79/06/943167906.db2.gz RYWBXHUXFFQVSG-GOSISDBHSA-N 1 0 356.470 3.956 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000503413028 943170810 /nfs/dbraw/zinc/17/08/10/943170810.db2.gz RALGKNKCMSENLX-XLIONFOSSA-N 1 0 354.498 3.617 20 30 FHEDRO C=CCC(CC=C)C(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@H+]1CC ZINC000503477594 943211174 /nfs/dbraw/zinc/21/11/74/943211174.db2.gz DBHVKIXGSCLIBN-HXUWFJFHSA-N 1 0 356.510 3.974 20 30 FHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000435160474 943216303 /nfs/dbraw/zinc/21/63/03/943216303.db2.gz HYIZGNGUKNAIMW-KBXCAEBGSA-N 1 0 352.413 3.654 20 30 FHEDRO C=CCOc1ccc(CC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC001269372859 943217975 /nfs/dbraw/zinc/21/79/75/943217975.db2.gz FHNZPCBBGYUTLK-MBSDFSHPSA-N 1 0 366.505 3.910 20 30 FHEDRO C=CCOc1ccc(CC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC001269372858 943218358 /nfs/dbraw/zinc/21/83/58/943218358.db2.gz FHNZPCBBGYUTLK-JPYJTQIMSA-N 1 0 366.505 3.910 20 30 FHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503525539 943234345 /nfs/dbraw/zinc/23/43/45/943234345.db2.gz HBJVJOGGQCKPJJ-MSOLQXFVSA-N 1 0 369.490 3.676 20 30 FHEDRO N#Cc1cccc(CC[NH2+][C@@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000503558372 943259646 /nfs/dbraw/zinc/25/96/46/943259646.db2.gz RIFOTSOPKAQMPQ-HSZRJFAPSA-N 1 0 369.468 3.748 20 30 FHEDRO C[C@@H]1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000435263194 943288827 /nfs/dbraw/zinc/28/88/27/943288827.db2.gz OUZCFIRQHABINU-GCJKJVERSA-N 1 0 373.500 3.759 20 30 FHEDRO C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417024602 943300601 /nfs/dbraw/zinc/30/06/01/943300601.db2.gz JOETWBOUWIXDNM-OAQYLSRUSA-N 1 0 362.477 3.861 20 30 FHEDRO C=CC[C@@H]1CCCN(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000664333743 943351576 /nfs/dbraw/zinc/35/15/76/943351576.db2.gz RJJVRMNZDPQNCH-GOSISDBHSA-N 1 0 356.514 3.567 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000505689631 943391112 /nfs/dbraw/zinc/39/11/12/943391112.db2.gz IQNHEQRYEOGWHL-HOTGVXAUSA-N 1 0 358.486 3.730 20 30 FHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc4cc(F)ccc4o3)C2=O)cc1 ZINC000503896151 943397041 /nfs/dbraw/zinc/39/70/41/943397041.db2.gz VSNMXOCMMYIVJD-IBGZPJMESA-N 1 0 363.392 3.729 20 30 FHEDRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Cl ZINC000503920719 943408881 /nfs/dbraw/zinc/40/88/81/943408881.db2.gz MZDFIOYKFONGPG-LJQANCHMSA-N 1 0 353.853 3.805 20 30 FHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000514964480 943411531 /nfs/dbraw/zinc/41/15/31/943411531.db2.gz WUTWFJLAFKTWNF-IBGZPJMESA-N 1 0 357.542 3.575 20 30 FHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000364051516 943436828 /nfs/dbraw/zinc/43/68/28/943436828.db2.gz KOXUXYKQPRBCMW-HOCLYGCPSA-N 1 0 367.415 3.754 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000503989234 943444296 /nfs/dbraw/zinc/44/42/96/943444296.db2.gz IBKNNQGRZLQUAL-YADHBBJMSA-N 1 0 359.473 3.835 20 30 FHEDRO CC(C)c1ccc([C@H](N)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000423253217 943460346 /nfs/dbraw/zinc/46/03/46/943460346.db2.gz YRLKDOFHSDZUCG-HSZRJFAPSA-N 1 0 362.521 3.940 20 30 FHEDRO C=CC[C@@H](C)NC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435538558 943474735 /nfs/dbraw/zinc/47/47/35/943474735.db2.gz WVFBAUALHCOENL-VQIMIIECSA-N 1 0 367.497 3.725 20 30 FHEDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1F ZINC000423358570 943489665 /nfs/dbraw/zinc/48/96/65/943489665.db2.gz BTFJTWOJDXTCTA-BXJCWQANSA-N 1 0 359.395 3.772 20 30 FHEDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000423379953 943496094 /nfs/dbraw/zinc/49/60/94/943496094.db2.gz YHFRWCCWRVTTCY-BXJCWQANSA-N 1 0 359.395 3.772 20 30 FHEDRO CCCN(C(=O)c1cc(C#N)oc1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000435686002 943545323 /nfs/dbraw/zinc/54/53/23/943545323.db2.gz QDSVKPCWINKIGC-IBGZPJMESA-N 1 0 365.477 3.977 20 30 FHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000435668579 943549513 /nfs/dbraw/zinc/54/95/13/943549513.db2.gz ALKOPVCHLPTOFG-UHFFFAOYSA-N 1 0 372.472 3.918 20 30 FHEDRO CSc1nc(C2CC2)cc(C(=O)NCCC[NH+]2CCCCCC2)c1C#N ZINC000515207712 943567902 /nfs/dbraw/zinc/56/79/02/943567902.db2.gz ZRUXDUOPLNXBRC-UHFFFAOYSA-N 1 0 372.538 3.548 20 30 FHEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000515230499 943572943 /nfs/dbraw/zinc/57/29/43/943572943.db2.gz OHOCPFOREHMQER-KRWDZBQOSA-N 1 0 354.841 3.608 20 30 FHEDRO Cc1c(C#N)cccc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000431944069 943577796 /nfs/dbraw/zinc/57/77/96/943577796.db2.gz WQZBPFXUHINESF-UHFFFAOYSA-N 1 0 362.477 3.825 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000435749766 943583877 /nfs/dbraw/zinc/58/38/77/943583877.db2.gz VNJHFIQRRDHYDG-RDTXWAMCSA-N 1 0 364.283 3.796 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000435740504 943591497 /nfs/dbraw/zinc/59/14/97/943591497.db2.gz KPZFBTXDUGVHPD-RHSMWYFYSA-N 1 0 359.388 3.707 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000504339688 943591845 /nfs/dbraw/zinc/59/18/45/943591845.db2.gz WEJVSLHKPZMJKP-FCHUYYIVSA-N 1 0 359.473 3.835 20 30 FHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000435745551 943594794 /nfs/dbraw/zinc/59/47/94/943594794.db2.gz NTFNIUZMMAGEQB-DENIHFKCSA-N 1 0 369.509 3.628 20 30 FHEDRO C=C(C(=O)N[C@@]12CC[C@@]([NH2+]Cc3scnc3C)(C1)CCC2)C(F)(F)F ZINC001270008196 943597417 /nfs/dbraw/zinc/59/74/17/943597417.db2.gz PAFRWGKHTLRVKD-CVEARBPZSA-N 1 0 373.444 3.621 20 30 FHEDRO CCOc1ccc(Oc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424079309 943711913 /nfs/dbraw/zinc/71/19/13/943711913.db2.gz RDPKQJOMRARDLR-IBGZPJMESA-N 1 0 353.422 3.837 20 30 FHEDRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424096478 943730122 /nfs/dbraw/zinc/73/01/22/943730122.db2.gz XZBWMYMBNYZTEL-KRWDZBQOSA-N 1 0 365.437 3.599 20 30 FHEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000424111997 943736966 /nfs/dbraw/zinc/73/69/66/943736966.db2.gz HWIYDYSRUPZKFX-CVEARBPZSA-N 1 0 353.388 3.780 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000424119754 943741801 /nfs/dbraw/zinc/74/18/01/943741801.db2.gz DBCBRJIVUAOWMS-VDGAXYAQSA-N 1 0 354.425 3.686 20 30 FHEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424149912 943753056 /nfs/dbraw/zinc/75/30/56/943753056.db2.gz XVMMNMQGXZPHIN-GDBMZVCRSA-N 1 0 356.495 3.659 20 30 FHEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424149920 943753067 /nfs/dbraw/zinc/75/30/67/943753067.db2.gz XVMMNMQGXZPHIN-ZBFHGGJFSA-N 1 0 356.495 3.659 20 30 FHEDRO N#CCCC[C@H]([NH3+])C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000424178762 943762185 /nfs/dbraw/zinc/76/21/85/943762185.db2.gz XHAAGGFCUVDJGW-HNNXBMFYSA-N 1 0 354.281 3.552 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000424168784 943772624 /nfs/dbraw/zinc/77/26/24/943772624.db2.gz GRNQQQPHUNWHOQ-UGKGYDQZSA-N 1 0 374.488 3.674 20 30 FHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C(C)C)C1CCCC1 ZINC000108365188 943774257 /nfs/dbraw/zinc/77/42/57/943774257.db2.gz SMVSUBYMGZXTMG-UHFFFAOYSA-N 1 0 374.529 3.605 20 30 FHEDRO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000424255714 943807507 /nfs/dbraw/zinc/80/75/07/943807507.db2.gz UVPBXIDDXSTKFI-BBWFWOEESA-N 1 0 363.575 3.589 20 30 FHEDRO N#Cc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(OC(F)F)c1 ZINC000437436545 943814333 /nfs/dbraw/zinc/81/43/33/943814333.db2.gz BNJKOUZMZIYHJT-UHFFFAOYSA-N 1 0 361.367 3.621 20 30 FHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(C#N)c(C)c3)CCN2C2CC2)c1 ZINC000549476626 943817804 /nfs/dbraw/zinc/81/78/04/943817804.db2.gz FZAAWKFILGDAEJ-GOTSBHOMSA-N 1 0 361.489 3.943 20 30 FHEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000424300642 943826795 /nfs/dbraw/zinc/82/67/95/943826795.db2.gz YFBONCVZUWMESJ-MAZHCROVSA-N 1 0 352.272 3.844 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000506055234 943838496 /nfs/dbraw/zinc/83/84/96/943838496.db2.gz ITRQCPNFUIIJRM-UHFFFAOYSA-N 1 0 355.869 3.983 20 30 FHEDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000516997484 943901818 /nfs/dbraw/zinc/90/18/18/943901818.db2.gz FLLUDUWUBADTFG-UHFFFAOYSA-N 1 0 369.396 3.957 20 30 FHEDRO C=CCN1CC[C@@H]([N@H+](C)CC/C=C\c2ccc(Br)cc2)C1=O ZINC000500008131 943944250 /nfs/dbraw/zinc/94/42/50/943944250.db2.gz INNOOPQANLKXFM-XQDHMALISA-N 1 0 363.299 3.571 20 30 FHEDRO N#CCCn1cc(CNc2cc3c(c[nH+]2)CCCC3)c(-c2ccncc2)n1 ZINC000517064304 943964877 /nfs/dbraw/zinc/96/48/77/943964877.db2.gz SRUWPYJOXVGASP-UHFFFAOYSA-N 1 0 358.449 3.745 20 30 FHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000425450765 943966300 /nfs/dbraw/zinc/96/63/00/943966300.db2.gz LGKPYEZXOVRZCQ-JXFKEZNVSA-N 1 0 356.514 3.771 20 30 FHEDRO C=CCC1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCOCC1 ZINC000424587540 943981710 /nfs/dbraw/zinc/98/17/10/943981710.db2.gz HNHDIUYFUNYEHW-UHFFFAOYSA-N 1 0 360.498 3.719 20 30 FHEDRO C=CCC[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000417943825 943987509 /nfs/dbraw/zinc/98/75/09/943987509.db2.gz VKBDKFNIJBFQNF-BBRMVZONSA-N 1 0 355.404 3.716 20 30 FHEDRO N#CCCCOc1cccc(CN2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000506084948 943997193 /nfs/dbraw/zinc/99/71/93/943997193.db2.gz DRYFPIBTVNZKPK-UHFFFAOYSA-N 1 0 374.488 3.559 20 30 FHEDRO CCN(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000425853227 944012003 /nfs/dbraw/zinc/01/20/03/944012003.db2.gz VSESPJCCYDTLGC-RAUXBKROSA-N 1 0 354.498 3.546 20 30 FHEDRO C[C@H](NC(=O)N1CCC(C[NH3+])CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417990789 944039934 /nfs/dbraw/zinc/03/99/34/944039934.db2.gz KWLUKJAISVDMTL-INIZCTEOSA-N 1 0 362.477 3.667 20 30 FHEDRO C[C@H](CCC[NH3+])NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000418002339 944050392 /nfs/dbraw/zinc/05/03/92/944050392.db2.gz XJVLJRFJDQWGOK-HZPDHXFCSA-N 1 0 350.466 3.713 20 30 FHEDRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000417993319 944051000 /nfs/dbraw/zinc/05/10/00/944051000.db2.gz NSTSGVHPXYFXSD-IWMITWMQSA-N 1 0 362.477 3.855 20 30 FHEDRO C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000418003982 944057567 /nfs/dbraw/zinc/05/75/67/944057567.db2.gz ZGGIICAFRWTASB-IIBYNOLFSA-N 1 0 362.477 3.680 20 30 FHEDRO COC(=O)c1ccc(COc2ccccc2C[NH+]2CCC(C#N)CC2)cc1 ZINC000437728326 944058290 /nfs/dbraw/zinc/05/82/90/944058290.db2.gz NLSUAUBPSDYOFH-UHFFFAOYSA-N 1 0 364.445 3.788 20 30 FHEDRO N#CCCC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000431969982 944059660 /nfs/dbraw/zinc/05/96/60/944059660.db2.gz GTDFZERHLDHNRQ-QUCCMNQESA-N 1 0 354.498 3.738 20 30 FHEDRO C=CCC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCOCC1 ZINC000424720223 944069194 /nfs/dbraw/zinc/06/91/94/944069194.db2.gz KOWNOHKDNDEELZ-OAQYLSRUSA-N 1 0 370.537 3.949 20 30 FHEDRO C=C(C)[C@@H](NC(=O)N(CCC)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000418026480 944071371 /nfs/dbraw/zinc/07/13/71/944071371.db2.gz HISMIOXBTDGPJI-GOSISDBHSA-N 1 0 351.441 3.756 20 30 FHEDRO C=C(C)[C@H](NC(=O)N(CCC)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000418026482 944071811 /nfs/dbraw/zinc/07/18/11/944071811.db2.gz HISMIOXBTDGPJI-SFHVURJKSA-N 1 0 351.441 3.756 20 30 FHEDRO CCN1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000515656473 944081196 /nfs/dbraw/zinc/08/11/96/944081196.db2.gz GJDWJGWOJCPLPK-AZUAARDMSA-N 1 0 359.395 3.901 20 30 FHEDRO C=C(C)[C@H](NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccc(F)c(F)c1 ZINC000418036469 944083882 /nfs/dbraw/zinc/08/38/82/944083882.db2.gz WBWRJQRTCGGJBG-OALUTQOASA-N 1 0 363.452 3.756 20 30 FHEDRO C=CCC1(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CCOCC1 ZINC000424738118 944095564 /nfs/dbraw/zinc/09/55/64/944095564.db2.gz ONAHEFPWBXWXCY-LJQANCHMSA-N 1 0 362.558 3.862 20 30 FHEDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414914969 944164546 /nfs/dbraw/zinc/16/45/46/944164546.db2.gz YTJNTJGIOYVJQD-PBHICJAKSA-N 1 0 356.857 3.854 20 30 FHEDRO CN(C(=O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000500175535 944217555 /nfs/dbraw/zinc/21/75/55/944217555.db2.gz ZVJMZHDSYYLIFM-OAQYLSRUSA-N 1 0 353.510 3.725 20 30 FHEDRO C[C@@]1(c2ccccc2)CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000500186174 944225604 /nfs/dbraw/zinc/22/56/04/944225604.db2.gz PSNTYYDRIAPHKC-FYYLOGMGSA-N 1 0 359.473 3.717 20 30 FHEDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000425528934 944238590 /nfs/dbraw/zinc/23/85/90/944238590.db2.gz AAJFTNVYQXASJA-CQSZACIVSA-N 1 0 355.394 3.547 20 30 FHEDRO N#CC1(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)CC1 ZINC000550139204 944274894 /nfs/dbraw/zinc/27/48/94/944274894.db2.gz LDBYZPQCQXQQMI-UHFFFAOYSA-N 1 0 367.262 3.573 20 30 FHEDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000418213909 944275038 /nfs/dbraw/zinc/27/50/38/944275038.db2.gz LFJPSWIYTHWMEJ-UXHICEINSA-N 1 0 368.525 3.841 20 30 FHEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000418220526 944279287 /nfs/dbraw/zinc/27/92/87/944279287.db2.gz UVFIKWRXVIWWFN-LEWJYISDSA-N 1 0 364.493 3.983 20 30 FHEDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000418220529 944279726 /nfs/dbraw/zinc/27/97/26/944279726.db2.gz UVFIKWRXVIWWFN-SFTDATJTSA-N 1 0 364.493 3.983 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000438025003 944293124 /nfs/dbraw/zinc/29/31/24/944293124.db2.gz UOZNSQABNUMVBO-RXVVDRJESA-N 1 0 358.526 3.995 20 30 FHEDRO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)CCC#N ZINC000518418358 944364292 /nfs/dbraw/zinc/36/42/92/944364292.db2.gz PVRPOVZFDXUHLL-MRXNPFEDSA-N 1 0 355.482 3.761 20 30 FHEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000025358782 944369125 /nfs/dbraw/zinc/36/91/25/944369125.db2.gz PGYHCIMYACRRHW-QFIPXVFZSA-N 1 0 364.489 3.634 20 30 FHEDRO Cc1c(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)oc2ccc(F)cc12 ZINC000261974653 944389229 /nfs/dbraw/zinc/38/92/29/944389229.db2.gz FKWRDSLZJADOQG-UHFFFAOYSA-N 1 0 369.396 3.968 20 30 FHEDRO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H](CCO)c1ccccc1 ZINC000438187661 944404748 /nfs/dbraw/zinc/40/47/48/944404748.db2.gz IGLDUFJZQWOSQP-LJQANCHMSA-N 1 0 363.379 3.992 20 30 FHEDRO C=CCCCN(CC)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000894695336 944441577 /nfs/dbraw/zinc/44/15/77/944441577.db2.gz QHZUNLGEYWAUMR-UHFFFAOYSA-N 1 0 359.514 3.657 20 30 FHEDRO Cc1nc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)ccc1C#N ZINC000517620733 944449522 /nfs/dbraw/zinc/44/95/22/944449522.db2.gz MXXFBHDEGSQTNK-QGZVFWFLSA-N 1 0 362.477 3.655 20 30 FHEDRO C=CCN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000517641007 944462457 /nfs/dbraw/zinc/46/24/57/944462457.db2.gz GAVNKLLIJINCIH-UHFFFAOYSA-N 1 0 363.505 3.808 20 30 FHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506530298 944488540 /nfs/dbraw/zinc/48/85/40/944488540.db2.gz GFDKUHQNYWVUEV-IAGOWNOFSA-N 1 0 371.500 3.603 20 30 FHEDRO C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)Cn1cccn1 ZINC000048785147 944493530 /nfs/dbraw/zinc/49/35/30/944493530.db2.gz BJHIHQVWIDEKPN-GOSISDBHSA-N 1 0 360.461 3.760 20 30 FHEDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000425606202 944520569 /nfs/dbraw/zinc/52/05/69/944520569.db2.gz MGVMYWSYOVYCQS-NHCUHLMSSA-N 1 0 361.489 3.984 20 30 FHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516242585 944612237 /nfs/dbraw/zinc/61/22/37/944612237.db2.gz QUJHRAXZPPUKLN-FGTMMUONSA-N 1 0 361.505 3.890 20 30 FHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1OC ZINC000438456819 944622900 /nfs/dbraw/zinc/62/29/00/944622900.db2.gz DOBRQFDEZGAGAR-UHFFFAOYSA-N 1 0 374.506 3.526 20 30 FHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516245330 944629550 /nfs/dbraw/zinc/62/95/50/944629550.db2.gz GZDYAPZRSVDBJN-CEXWTWQISA-N 1 0 373.541 3.759 20 30 FHEDRO CN(CCCOCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000439465643 944665375 /nfs/dbraw/zinc/66/53/75/944665375.db2.gz GBLRASHJGMHTNH-UHFFFAOYSA-N 1 0 371.868 3.689 20 30 FHEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000566719523 944668116 /nfs/dbraw/zinc/66/81/16/944668116.db2.gz DNXRDFDHPUAOJZ-MQSCRBSSSA-N 1 0 362.473 3.587 20 30 FHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc(OCC#N)c2)cc1 ZINC000048515937 944670664 /nfs/dbraw/zinc/67/06/64/944670664.db2.gz MJTYUVHYUDWHRL-UHFFFAOYSA-N 1 0 366.465 3.752 20 30 FHEDRO CC[NH+](CC)[C@@H](C/N=C/c1cc(OC)ccc1O)c1cccc(OC)c1 ZINC000017701181 944681831 /nfs/dbraw/zinc/68/18/31/944681831.db2.gz HKOJXPUARIHYNJ-ISXGRJCASA-N 1 0 356.466 3.911 20 30 FHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438492627 944685376 /nfs/dbraw/zinc/68/53/76/944685376.db2.gz PLBRZGBYBNVVKG-AUSIDOKSSA-N 1 0 361.489 3.985 20 30 FHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000506881408 944699138 /nfs/dbraw/zinc/69/91/38/944699138.db2.gz HSBHXEUMILJXRY-UHFFFAOYSA-N 1 0 360.502 3.928 20 30 FHEDRO Cc1cccc(N(CCC#N)C(=O)CN(C)CC[NH+](C(C)C)C(C)C)c1C ZINC000505889871 944700542 /nfs/dbraw/zinc/70/05/42/944700542.db2.gz KWABDUNILMOIKI-UHFFFAOYSA-N 1 0 372.557 3.601 20 30 FHEDRO CCCCCCCC(=O)N1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001270134272 944704203 /nfs/dbraw/zinc/70/42/03/944704203.db2.gz KMGLXWWTBYWBMO-UHFFFAOYSA-N 1 0 360.546 3.558 20 30 FHEDRO CCCCCCCC(=O)N1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001270134480 944705982 /nfs/dbraw/zinc/70/59/82/944705982.db2.gz NAZVVTAECBBASX-NRFANRHFSA-N 1 0 350.547 3.983 20 30 FHEDRO CCCCCCCC(=O)N1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001270134854 944710704 /nfs/dbraw/zinc/71/07/04/944710704.db2.gz VYIVOQMILRKISY-UHFFFAOYSA-N 1 0 360.546 3.975 20 30 FHEDRO C[C@H](NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)c1ccc(C#N)cc1 ZINC000506912014 944739285 /nfs/dbraw/zinc/73/92/85/944739285.db2.gz BEWLJCYJNCLHSY-WSTZPKSXSA-N 1 0 368.525 3.915 20 30 FHEDRO Cc1ccccc1OCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000053721362 944746305 /nfs/dbraw/zinc/74/63/05/944746305.db2.gz BMSIYOKBABHDMV-KRWDZBQOSA-N 1 0 351.450 3.595 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000506613859 944754766 /nfs/dbraw/zinc/75/47/66/944754766.db2.gz FKRHOLLLKAJFSO-IAGOWNOFSA-N 1 0 350.462 3.707 20 30 FHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000425643632 944756611 /nfs/dbraw/zinc/75/66/11/944756611.db2.gz IXUVLXSIERGAIB-OXQOHEQNSA-N 1 0 350.466 3.564 20 30 FHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000517862465 944757912 /nfs/dbraw/zinc/75/79/12/944757912.db2.gz RUOUJQRKZSBARZ-UHFFFAOYSA-N 1 0 367.280 3.782 20 30 FHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000438537523 944761438 /nfs/dbraw/zinc/76/14/38/944761438.db2.gz SATPKOIKBVZSAB-UHFFFAOYSA-N 1 0 363.461 3.873 20 30 FHEDRO CC(C)[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCCCC1 ZINC000517893968 944804909 /nfs/dbraw/zinc/80/49/09/944804909.db2.gz ZKNHZEKNAYRSHS-QFIPXVFZSA-N 1 0 361.489 3.930 20 30 FHEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCCC[C@H]1C ZINC000438641520 944876586 /nfs/dbraw/zinc/87/65/86/944876586.db2.gz MIGNHHYQDJCFQA-OLZOCXBDSA-N 1 0 368.403 3.961 20 30 FHEDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438657154 944887049 /nfs/dbraw/zinc/88/70/49/944887049.db2.gz SZGZVBFBHXOWCY-AWEZNQCLSA-N 1 0 370.428 3.951 20 30 FHEDRO C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)[NH+]1CCCCCC1 ZINC000505923062 944916413 /nfs/dbraw/zinc/91/64/13/944916413.db2.gz PJIQYLJXWIZIMB-WBMJQRKESA-N 1 0 354.281 3.939 20 30 FHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccco2)Cc2cccc(C)c2)CC1 ZINC000518023641 944926078 /nfs/dbraw/zinc/92/60/78/944926078.db2.gz PGPHMPRKRFYKKJ-UHFFFAOYSA-N 1 0 367.493 3.950 20 30 FHEDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000518032130 944952444 /nfs/dbraw/zinc/95/24/44/944952444.db2.gz AVYIFCKGMMNFQQ-UHFFFAOYSA-N 1 0 369.440 3.950 20 30 FHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCC([NH3+])CC2)cc1Cl ZINC000414896819 944964497 /nfs/dbraw/zinc/96/44/97/944964497.db2.gz ADPUVFQGTSEICT-GOSISDBHSA-N 1 0 368.868 3.950 20 30 FHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000518079652 944998644 /nfs/dbraw/zinc/99/86/44/944998644.db2.gz NTLGSEAGPGSMJB-RTBURBONSA-N 1 0 370.541 3.989 20 30 FHEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507199050 945025348 /nfs/dbraw/zinc/02/53/48/945025348.db2.gz DOASEDLEDVPYML-PZJWPPBQSA-N 1 0 370.537 3.634 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000518130924 945055459 /nfs/dbraw/zinc/05/54/59/945055459.db2.gz HFLDMKYTYKBRHV-VLIAUNLRSA-N 1 0 364.449 3.779 20 30 FHEDRO C[C@@H]1CC(N2CC[C@@H]3SC(=O)C=C3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047582 945370995 /nfs/dbraw/zinc/37/09/95/945370995.db2.gz QUKRMIKBSQRRHK-QINHECLXSA-N 1 0 356.535 3.702 20 30 FHEDRO O=C(CN1Cc2ccccc2C2(CC2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000330164061 945383203 /nfs/dbraw/zinc/38/32/03/945383203.db2.gz SXOINJWMMCAJDQ-UHFFFAOYSA-N 1 0 364.445 3.983 20 30 FHEDRO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C[C@H]1CCCCO1 ZINC000440305443 945389927 /nfs/dbraw/zinc/38/99/27/945389927.db2.gz KASSELFVWTYNAL-HXUWFJFHSA-N 1 0 371.525 3.831 20 30 FHEDRO O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)[C@H]1CCCN1C1CC1 ZINC000330209023 945402499 /nfs/dbraw/zinc/40/24/99/945402499.db2.gz BJIQACOZVAOBNL-MRXNPFEDSA-N 1 0 355.463 3.960 20 30 FHEDRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000330211389 945405443 /nfs/dbraw/zinc/40/54/43/945405443.db2.gz JEVZEGXDYIKUBF-WBMJQRKESA-N 1 0 361.442 3.517 20 30 FHEDRO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000330216446 945406056 /nfs/dbraw/zinc/40/60/56/945406056.db2.gz HUNOBKYHPNADSN-FABXCBLPSA-N 1 0 352.862 3.791 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000330251970 945426164 /nfs/dbraw/zinc/42/61/64/945426164.db2.gz NXQCJBIRAQBTCA-SQWLQELKSA-N 1 0 365.543 3.771 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000330251969 945426240 /nfs/dbraw/zinc/42/62/40/945426240.db2.gz NXQCJBIRAQBTCA-IIAWOOMASA-N 1 0 365.543 3.771 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)c2sc([C@@H]3CCCOC3)nc2C)CC1 ZINC000330265251 945432598 /nfs/dbraw/zinc/43/25/98/945432598.db2.gz YZZBPSQOSPQWFS-CQSZACIVSA-N 1 0 351.516 3.525 20 30 FHEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000330265054 945433102 /nfs/dbraw/zinc/43/31/02/945433102.db2.gz YSLLSYKFONTBQT-HIFRSBDPSA-N 1 0 374.510 3.821 20 30 FHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000330273740 945439131 /nfs/dbraw/zinc/43/91/31/945439131.db2.gz ZQOAZMOZAICMFK-ZSYWTGECSA-N 1 0 365.562 3.738 20 30 FHEDRO Cc1cccc([C@@H]2CCCCN2C(=O)N[C@H]2CCn3ccnc3C2)c1C ZINC000330282035 945444262 /nfs/dbraw/zinc/44/42/62/945444262.db2.gz VCHLQOAJOFYTNV-HKUYNNGSSA-N 1 0 352.482 3.956 20 30 FHEDRO COc1ccc(-c2ccc(C[NH+]3CCC(C)(C#N)CC3)o2)c([N+](=O)[O-])c1 ZINC000507701158 945466348 /nfs/dbraw/zinc/46/63/48/945466348.db2.gz DWNGATGMIDEBHT-UHFFFAOYSA-N 1 0 355.394 3.989 20 30 FHEDRO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000473615618 945496674 /nfs/dbraw/zinc/49/66/74/945496674.db2.gz QHNNCTHVXIHICI-UNMCSNQZSA-N 1 0 358.526 3.805 20 30 FHEDRO O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330301828 945507674 /nfs/dbraw/zinc/50/76/74/945507674.db2.gz OAKAIGAWZGAADD-SFHVURJKSA-N 1 0 358.482 3.754 20 30 FHEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)o2)cc1 ZINC000281065627 945515288 /nfs/dbraw/zinc/51/52/88/945515288.db2.gz SKSKANINAHRDNE-GUDVDZBRSA-N 1 0 366.465 3.514 20 30 FHEDRO O=C(Nc1ccc2nnc(C3CCC3)n2c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000330310163 945530376 /nfs/dbraw/zinc/53/03/76/945530376.db2.gz NFEOQEMYICXSKL-KRWDZBQOSA-N 1 0 353.470 3.992 20 30 FHEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000487452406 945539810 /nfs/dbraw/zinc/53/98/10/945539810.db2.gz PSARQYADYJLAHX-NHCUHLMSSA-N 1 0 362.477 3.904 20 30 FHEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)Cc1ccsc1 ZINC000187799021 945599103 /nfs/dbraw/zinc/59/91/03/945599103.db2.gz AJOCNBGROKZFAB-KRWDZBQOSA-N 1 0 355.507 3.948 20 30 FHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCc1ccc(C#N)cc1 ZINC000469487374 945659740 /nfs/dbraw/zinc/65/97/40/945659740.db2.gz GPNHLWOILRBQBN-QFIPXVFZSA-N 1 0 363.505 3.764 20 30 FHEDRO C=C(C)CNC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(CC)cc1 ZINC000027311604 945694905 /nfs/dbraw/zinc/69/49/05/945694905.db2.gz UJAOLHVWUWDOPM-UHFFFAOYSA-O 1 0 369.510 3.650 20 30 FHEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000661118271 945744730 /nfs/dbraw/zinc/74/47/30/945744730.db2.gz XFEQSWFJIHTBAH-NVXWUHKLSA-N 1 0 358.511 3.656 20 30 FHEDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)n1 ZINC000519792070 945746012 /nfs/dbraw/zinc/74/60/12/945746012.db2.gz NOUHFQBHRFAFNQ-CQSZACIVSA-N 1 0 350.344 3.648 20 30 FHEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000661117390 945749861 /nfs/dbraw/zinc/74/98/61/945749861.db2.gz QMRNTRKALYDOLJ-JKSUJKDBSA-N 1 0 357.523 3.680 20 30 FHEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)c(OC)c3)ccc2NC1=O ZINC000281575742 945774712 /nfs/dbraw/zinc/77/47/12/945774712.db2.gz CVPTZLJMSWZCQS-FZKQIMNGSA-N 1 0 365.433 3.527 20 30 FHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000519810165 945775472 /nfs/dbraw/zinc/77/54/72/945775472.db2.gz CWILESXOUHWBII-KRWDZBQOSA-N 1 0 364.449 3.780 20 30 FHEDRO COc1cc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)ccc1C#N ZINC000281795241 945851942 /nfs/dbraw/zinc/85/19/42/945851942.db2.gz UWTBADGPFOTQAG-UHFFFAOYSA-N 1 0 350.466 3.632 20 30 FHEDRO C#C[C@@H]([NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(C)(C)C ZINC000894517326 945873250 /nfs/dbraw/zinc/87/32/50/945873250.db2.gz IIVOSHSTTYUERY-IAGOWNOFSA-N 1 0 364.530 3.573 20 30 FHEDRO Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)c1 ZINC000519908198 945876227 /nfs/dbraw/zinc/87/62/27/945876227.db2.gz LNUWTCMYQBMROX-OAQYLSRUSA-N 1 0 352.478 3.825 20 30 FHEDRO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC001271562833 945885310 /nfs/dbraw/zinc/88/53/10/945885310.db2.gz ZNOVJOVQIHYEGZ-JRGCBEDISA-N 1 0 353.510 3.921 20 30 FHEDRO CC[N@H+](CCCC1(C#N)CCOCC1)CC1CCN(c2ccccn2)CC1 ZINC000281899282 945917467 /nfs/dbraw/zinc/91/74/67/945917467.db2.gz FPALXITXOATJQE-UHFFFAOYSA-N 1 0 370.541 3.720 20 30 FHEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000127080338 945924058 /nfs/dbraw/zinc/92/40/58/945924058.db2.gz QCZVPUZJVYAVAR-HXOBKFHXSA-N 1 0 373.456 3.916 20 30 FHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024664982 945940454 /nfs/dbraw/zinc/94/04/54/945940454.db2.gz VDGYVCRZGSEXIH-DOTOQJQBSA-N 1 0 374.444 3.906 20 30 FHEDRO N#CC(CC[N@@H+](CCO)Cc1cccnc1)(c1ccccc1)c1ccccc1 ZINC000193066812 945945315 /nfs/dbraw/zinc/94/53/15/945945315.db2.gz YQNAKIBSBUVRHQ-UHFFFAOYSA-N 1 0 371.484 3.776 20 30 FHEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000651796833 945950665 /nfs/dbraw/zinc/95/06/65/945950665.db2.gz FRMOFWGUGCDZFL-IUODEOHRSA-N 1 0 361.429 3.943 20 30 FHEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508464241 945956490 /nfs/dbraw/zinc/95/64/90/945956490.db2.gz LIGRLOWRTXRYHF-UHFFFAOYSA-N 1 0 367.541 3.606 20 30 FHEDRO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000661328345 945999959 /nfs/dbraw/zinc/99/99/59/945999959.db2.gz IYGJEEINEUDGGY-NHCUHLMSSA-N 1 0 355.526 3.595 20 30 FHEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000282003681 946000095 /nfs/dbraw/zinc/00/00/95/946000095.db2.gz NVMZZVVYZBMDTH-OAQYLSRUSA-N 1 0 355.526 3.683 20 30 FHEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC001126497583 946012458 /nfs/dbraw/zinc/01/24/58/946012458.db2.gz NDKHAVXEKWEDJG-QFIPXVFZSA-N 1 0 361.489 3.786 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2cnn(-c3cccc(F)c3)c2CCC)CCC[NH2+]1 ZINC000662804795 946030320 /nfs/dbraw/zinc/03/03/20/946030320.db2.gz SZGRFVAITCVYOJ-HXUWFJFHSA-N 1 0 356.445 3.601 20 30 FHEDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000125438567 946035445 /nfs/dbraw/zinc/03/54/45/946035445.db2.gz ITNJFHOGVZYOMU-QGZVFWFLSA-N 1 0 368.481 3.678 20 30 FHEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000661377779 946052012 /nfs/dbraw/zinc/05/20/12/946052012.db2.gz VCHHFWGVPVDPDZ-LLVKDONJSA-N 1 0 352.232 3.880 20 30 FHEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000661419525 946088358 /nfs/dbraw/zinc/08/83/58/946088358.db2.gz RJWVXWSCOLERFR-SFTDATJTSA-N 1 0 370.541 3.728 20 30 FHEDRO CC[NH+](CC)[C@@H](CNC(=O)NCC1CCC(C#N)CC1)c1ccccc1 ZINC000441017068 946119161 /nfs/dbraw/zinc/11/91/61/946119161.db2.gz WUOQZLBLHZHCAG-QLOJAFMTSA-N 1 0 356.514 3.699 20 30 FHEDRO CCCn1c(C)cc(C(=O)CN(CCOC)Cc2ccc(C#N)cc2)c1C ZINC000444242962 946119432 /nfs/dbraw/zinc/11/94/32/946119432.db2.gz HCWXNOCKLLOYNZ-UHFFFAOYSA-N 1 0 367.493 3.718 20 30 FHEDRO COc1cccc([C@H](C)[NH+]2CCN(c3cc(C#N)c4ccccc4n3)CC2)c1 ZINC000522933979 946123462 /nfs/dbraw/zinc/12/34/62/946123462.db2.gz JEOJEBVAMUYXAV-KRWDZBQOSA-N 1 0 372.472 3.998 20 30 FHEDRO C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)[nH]c1=O)C2 ZINC001112535880 946124588 /nfs/dbraw/zinc/12/45/88/946124588.db2.gz FHFZFRXQTIBKEG-AVRDEDQJSA-N 1 0 371.525 3.674 20 30 FHEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000444251031 946128040 /nfs/dbraw/zinc/12/80/40/946128040.db2.gz PQRDWSDJTAWVKR-NRFANRHFSA-N 1 0 362.477 3.790 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000594729985 946132387 /nfs/dbraw/zinc/13/23/87/946132387.db2.gz ACWMEMKXQVPCQU-HNNXBMFYSA-N 1 0 365.260 3.589 20 30 FHEDRO C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508470724 946247650 /nfs/dbraw/zinc/24/76/50/946247650.db2.gz DGAMUNNIJDBKRB-UHFFFAOYSA-N 1 0 371.916 3.849 20 30 FHEDRO CS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000441136228 946260779 /nfs/dbraw/zinc/26/07/79/946260779.db2.gz VGKJKQYGOFPJQR-VIHIWDAPSA-N 1 0 351.560 3.523 20 30 FHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](c2ccccc2)C1)C(C)C ZINC000520201135 946274615 /nfs/dbraw/zinc/27/46/15/946274615.db2.gz AUWKIFRQEJGIGW-RTWAWAEBSA-N 1 0 355.526 3.884 20 30 FHEDRO CCc1cccc2c(CCNC(=[NH2+])N[C@H]3CCOc4ccccc43)c[nH]c21 ZINC000262511739 946370419 /nfs/dbraw/zinc/37/04/19/946370419.db2.gz DHNZJVRQHQQFQX-IBGZPJMESA-N 1 0 362.477 3.701 20 30 FHEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441283656 946379442 /nfs/dbraw/zinc/37/94/42/946379442.db2.gz BPPLJJZUYBFORJ-IAGOWNOFSA-N 1 0 360.523 3.652 20 30 FHEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000441337993 946445446 /nfs/dbraw/zinc/44/54/46/946445446.db2.gz KMZAEEWUMBNIES-VMRPVKRXSA-N 1 0 354.425 3.520 20 30 FHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)NCc1cccc(C#N)c1 ZINC000441359240 946485229 /nfs/dbraw/zinc/48/52/29/946485229.db2.gz QULLRAGOXRFBFV-QFIPXVFZSA-N 1 0 363.505 3.826 20 30 FHEDRO COc1cc(Br)c(C[NH2+]CC2CCC(C#N)CC2)c(OC)c1 ZINC000441362446 946488331 /nfs/dbraw/zinc/48/83/31/946488331.db2.gz VCBDQDRMKQONMB-UHFFFAOYSA-N 1 0 367.287 3.886 20 30 FHEDRO FC1(F)[C@@H]2C[NH+](C[C@H]3CCSC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897054496 946540622 /nfs/dbraw/zinc/54/06/22/946540622.db2.gz IBCRWPOAHMLIKO-IWSPIJDZSA-N 1 0 369.321 3.842 20 30 FHEDRO FC1(F)[C@H]2C[N@H+](CCC[C@H]3CCO3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000897055940 946542052 /nfs/dbraw/zinc/54/20/52/946542052.db2.gz RVADBKJKWBHTDE-LPEHRKFASA-N 1 0 367.280 3.658 20 30 FHEDRO C=CCn1c(C(C)C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508490112 946545142 /nfs/dbraw/zinc/54/51/42/946545142.db2.gz AUJXTKFFRBGZJN-LJQANCHMSA-N 1 0 353.514 3.546 20 30 FHEDRO C=CCn1c(C(C)C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508490111 946545315 /nfs/dbraw/zinc/54/53/15/946545315.db2.gz AUJXTKFFRBGZJN-IBGZPJMESA-N 1 0 353.514 3.546 20 30 FHEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609926761 946559911 /nfs/dbraw/zinc/55/99/11/946559911.db2.gz XNHUTKMXUPQTDD-OXJNMPFZSA-N 1 0 372.896 3.709 20 30 FHEDRO N#Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OC(F)F)c1 ZINC000441411955 946568735 /nfs/dbraw/zinc/56/87/35/946568735.db2.gz HJDRLXCMRCQHER-YJBOKZPZSA-N 1 0 361.436 3.608 20 30 FHEDRO Cc1ccc(OC(F)F)c(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000262441844 946589586 /nfs/dbraw/zinc/58/95/86/946589586.db2.gz USKHIVUGEZWKMN-HNNXBMFYSA-N 1 0 361.392 3.525 20 30 FHEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1OC ZINC000628300787 946592856 /nfs/dbraw/zinc/59/28/56/946592856.db2.gz WTVIXTBDIMBOOV-OAHLLOKOSA-N 1 0 353.890 3.896 20 30 FHEDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905656 946594455 /nfs/dbraw/zinc/59/44/55/946594455.db2.gz HLQDJRCJQLEEBZ-DLBZAZTESA-N 1 0 365.477 3.530 20 30 FHEDRO C[C@@H]1C[C@H](CCNC(=O)c2sccc2CC#N)C[N@@H+]1Cc1ccccc1 ZINC000866929184 946635419 /nfs/dbraw/zinc/63/54/19/946635419.db2.gz BWDWJJHIVCHZBH-AEFFLSMTSA-N 1 0 367.518 3.845 20 30 FHEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000121407641 946670026 /nfs/dbraw/zinc/67/00/26/946670026.db2.gz SXBSYMVWQHNVAS-BBRMVZONSA-N 1 0 357.454 3.965 20 30 FHEDRO N#CC1(c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)[C@](F)(CO)C3)cc2)CC1 ZINC000597135542 946715457 /nfs/dbraw/zinc/71/54/57/946715457.db2.gz GCJVHWHFHNWCPZ-RBBKRZOGSA-N 1 0 350.437 3.542 20 30 FHEDRO Cc1ccc(NC(=[NH2+])NCc2ccc(N3CCCCC3=O)cc2)cc1C ZINC000303896690 946727770 /nfs/dbraw/zinc/72/77/70/946727770.db2.gz USRXOPATGNMUHR-UHFFFAOYSA-N 1 0 350.466 3.747 20 30 FHEDRO C=CCOc1ccc(C[NH2+]CCCCn2cc(Br)cn2)cc1 ZINC000475222380 946743456 /nfs/dbraw/zinc/74/34/56/946743456.db2.gz AFBSAFIOJWTJLL-UHFFFAOYSA-N 1 0 364.287 3.780 20 30 FHEDRO [NH2+]=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)Nc1ccccn1 ZINC000262467255 946759949 /nfs/dbraw/zinc/75/99/49/946759949.db2.gz YLBUUBHVNZQJJQ-HNNXBMFYSA-N 1 0 363.490 3.737 20 30 FHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000121455698 946781187 /nfs/dbraw/zinc/78/11/87/946781187.db2.gz UJRIXAFQGXAXFV-VKJFTORMSA-N 1 0 351.425 3.902 20 30 FHEDRO [NH2+]=C(NCC1(Sc2ccccc2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000262530885 946784923 /nfs/dbraw/zinc/78/49/23/946784923.db2.gz NNUVYLJDIDEQDN-UHFFFAOYSA-N 1 0 369.490 3.899 20 30 FHEDRO [NH2+]=C(NCCc1ccc(Cl)nc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305051468 946807674 /nfs/dbraw/zinc/80/76/74/946807674.db2.gz CUWJNRQHLWKWOP-UHFFFAOYSA-N 1 0 358.751 3.603 20 30 FHEDRO C=C(C)C[N@@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1ccccc1 ZINC000475285080 946821611 /nfs/dbraw/zinc/82/16/11/946821611.db2.gz ZTMMETVGVCGSEW-UHFFFAOYSA-N 1 0 355.482 3.641 20 30 FHEDRO CC(=O)c1cc(C#N)ccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000661903786 946856519 /nfs/dbraw/zinc/85/65/19/946856519.db2.gz CFBWMHMDGZSWQC-UHFFFAOYSA-N 1 0 361.445 3.612 20 30 FHEDRO C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305711928 946862316 /nfs/dbraw/zinc/86/23/16/946862316.db2.gz YBVGLCZRDWKQGK-CRAIPNDOSA-N 1 0 366.912 3.663 20 30 FHEDRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=[NH2+])NC1CCCCCC1 ZINC000305748559 946866146 /nfs/dbraw/zinc/86/61/46/946866146.db2.gz VPZAEXVTSAAPKX-UHFFFAOYSA-N 1 0 353.514 3.675 20 30 FHEDRO CC1(C)CN(C(=O)Nc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000104985887 946873416 /nfs/dbraw/zinc/87/34/16/946873416.db2.gz JABIGNMSENEPLA-UHFFFAOYSA-N 1 0 362.477 3.881 20 30 FHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C[C@H](CC#N)c2ccccc2)o1 ZINC000475317235 946881086 /nfs/dbraw/zinc/88/10/86/946881086.db2.gz YTGCLMDSYCOERA-IBGZPJMESA-N 1 0 353.466 3.566 20 30 FHEDRO N#Cc1ccc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(F)c1 ZINC000475352275 946926216 /nfs/dbraw/zinc/92/62/16/946926216.db2.gz CVRWJPSBGHRDDW-UHFFFAOYSA-N 1 0 355.379 3.592 20 30 FHEDRO Cc1ccc(CCC[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475361552 946945972 /nfs/dbraw/zinc/94/59/72/946945972.db2.gz OIGOVXBTTQZFBN-OAQYLSRUSA-N 1 0 368.912 3.859 20 30 FHEDRO C[C@]1(c2ccccc2)CCCN(C(=O)NC[C@H]2CCCn3ccnc32)C1 ZINC000328618017 946958541 /nfs/dbraw/zinc/95/85/41/946958541.db2.gz USUHVMDAVPBWCM-UTKZUKDTSA-N 1 0 352.482 3.728 20 30 FHEDRO CCCCN(C(=O)CNc1ccc(C#N)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000609518228 946962270 /nfs/dbraw/zinc/96/22/70/946962270.db2.gz PGAHEWNPUALYIO-UHFFFAOYSA-N 1 0 370.541 3.908 20 30 FHEDRO C=CCOc1ccccc1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182635785 946980076 /nfs/dbraw/zinc/98/00/76/946980076.db2.gz BDZVQYYWZVGOJV-IEBWSBKVSA-N 1 0 371.525 3.704 20 30 FHEDRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328690560 946989181 /nfs/dbraw/zinc/98/91/81/946989181.db2.gz BSYSPICNTPCLAC-IJXRJRJASA-N 1 0 374.525 3.957 20 30 FHEDRO Cc1csc(=O)n1CCC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000328716394 947002817 /nfs/dbraw/zinc/00/28/17/947002817.db2.gz OUFKJOVHCZOOGN-UHFFFAOYSA-N 1 0 365.543 3.611 20 30 FHEDRO C[NH+](C)C1(CNC(=O)c2cnc([C@H]3CCCO3)s2)CCCCCC1 ZINC000328823403 947039740 /nfs/dbraw/zinc/03/97/40/947039740.db2.gz GNWLBZKPPMABQC-CQSZACIVSA-N 1 0 351.516 3.954 20 30 FHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)cc1 ZINC000475609659 947045166 /nfs/dbraw/zinc/04/51/66/947045166.db2.gz DNKXHXWFAASGHW-MRXNPFEDSA-N 1 0 357.498 3.606 20 30 FHEDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328789936 947048294 /nfs/dbraw/zinc/04/82/94/947048294.db2.gz QBSSHZYASDIJFW-NVXWUHKLSA-N 1 0 374.481 3.573 20 30 FHEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000328796495 947048994 /nfs/dbraw/zinc/04/89/94/947048994.db2.gz UUQQCUJCOFJZIN-BFUOFWGJSA-N 1 0 358.442 3.638 20 30 FHEDRO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000328796422 947049723 /nfs/dbraw/zinc/04/97/23/947049723.db2.gz DCAAJLHQIAEAIL-HNNXBMFYSA-N 1 0 365.543 3.915 20 30 FHEDRO COC1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCC(C)CC1 ZINC000475428702 947071226 /nfs/dbraw/zinc/07/12/26/947071226.db2.gz LBDJKWSQGHAUPI-UHFFFAOYSA-N 1 0 352.482 3.644 20 30 FHEDRO Cc1c(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1OCC(F)(F)F ZINC000328874058 947077762 /nfs/dbraw/zinc/07/77/62/947077762.db2.gz JIXIILUSWUBDIM-GJZGRUSLSA-N 1 0 371.403 3.698 20 30 FHEDRO Cc1cccc2[nH]cc(CCNC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)c21 ZINC000328877783 947078903 /nfs/dbraw/zinc/07/89/03/947078903.db2.gz UHFRZNIBMBIIAU-LJQANCHMSA-N 1 0 368.525 3.597 20 30 FHEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000598614034 947081047 /nfs/dbraw/zinc/08/10/47/947081047.db2.gz MVQOKCFBYZFNKN-INIZCTEOSA-N 1 0 370.415 3.601 20 30 FHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000328890711 947084453 /nfs/dbraw/zinc/08/44/53/947084453.db2.gz RYDBRQUQUKRTOA-HUUCEWRRSA-N 1 0 351.516 3.525 20 30 FHEDRO CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1C#N ZINC000523302642 947090445 /nfs/dbraw/zinc/09/04/45/947090445.db2.gz YPNQOXYDGNZSPH-UHFFFAOYSA-N 1 0 372.538 3.547 20 30 FHEDRO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)c1 ZINC000328941303 947094548 /nfs/dbraw/zinc/09/45/48/947094548.db2.gz FGVKMVHYWOANGQ-NEOGFGCTSA-N 1 0 360.498 3.532 20 30 FHEDRO Cc1ncc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)[nH]1 ZINC000328905064 947102569 /nfs/dbraw/zinc/10/25/69/947102569.db2.gz AMGJOMPPGBKJDD-LRDDRELGSA-N 1 0 350.825 3.508 20 30 FHEDRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCOCC23CCCC3)cc1Cl ZINC000328911125 947103448 /nfs/dbraw/zinc/10/34/48/947103448.db2.gz GDNDMXGUPGKVIS-UHFFFAOYSA-N 1 0 365.861 3.846 20 30 FHEDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000417998796 947147441 /nfs/dbraw/zinc/14/74/41/947147441.db2.gz VGALQHHVSOXOCK-HRAATJIYSA-N 1 0 362.477 3.637 20 30 FHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508505836 947147299 /nfs/dbraw/zinc/14/72/99/947147299.db2.gz OGXJORRXKYRRNT-IBGZPJMESA-N 1 0 367.541 3.531 20 30 FHEDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000444360869 947153793 /nfs/dbraw/zinc/15/37/93/947153793.db2.gz FUVFFYARZLMSRN-QGZVFWFLSA-N 1 0 352.482 3.548 20 30 FHEDRO C[C@@H]1CC(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000330432482 947172821 /nfs/dbraw/zinc/17/28/21/947172821.db2.gz KAZBUYWGARTXTH-HBUWYVDXSA-N 1 0 367.921 3.650 20 30 FHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000487376699 947188860 /nfs/dbraw/zinc/18/88/60/947188860.db2.gz GYORJXSCVLPYQE-UHFFFAOYSA-N 1 0 364.449 3.718 20 30 FHEDRO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000330500752 947203408 /nfs/dbraw/zinc/20/34/08/947203408.db2.gz QWTHKHVPZCZZFF-UONOGXRCSA-N 1 0 353.532 3.626 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC(C)C)c2C(F)F)[C@@H](C)C1 ZINC000330501604 947203414 /nfs/dbraw/zinc/20/34/14/947203414.db2.gz VBBGGZJKUGMQPY-DZGCQCFKSA-N 1 0 371.476 3.684 20 30 FHEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000523391632 947215952 /nfs/dbraw/zinc/21/59/52/947215952.db2.gz CCLFJUOKXJUXHW-HSZRJFAPSA-N 1 0 369.468 3.576 20 30 FHEDRO COc1ccc(C2([NH2+]Cc3cc(C#N)ccc3OC)CCOCC2)cc1F ZINC000444809754 947223881 /nfs/dbraw/zinc/22/38/81/947223881.db2.gz YQGMYAGHPAXRAE-UHFFFAOYSA-N 1 0 370.424 3.510 20 30 FHEDRO COc1ccc(SC)c(OC)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000330655872 947226133 /nfs/dbraw/zinc/22/61/33/947226133.db2.gz LDXBZNAOVKLOFD-UHFFFAOYSA-N 1 0 352.500 3.603 20 30 FHEDRO C=CC[C@@H]1[N@H+](CCCS(=O)(=O)c2ccccc2OC)CCCC1(C)C ZINC000444784702 947226475 /nfs/dbraw/zinc/22/64/75/947226475.db2.gz WIFNMGBWAJJWPU-IBGZPJMESA-N 1 0 365.539 3.926 20 30 FHEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000662087712 947227391 /nfs/dbraw/zinc/22/73/91/947227391.db2.gz IQXCQZIBAMKXNV-ZVDOUQERSA-N 1 0 354.494 3.932 20 30 FHEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CCCC1(C)C ZINC000444788350 947228972 /nfs/dbraw/zinc/22/89/72/947228972.db2.gz UOJUBAMUKMTVJF-LJQANCHMSA-N 1 0 369.509 3.819 20 30 FHEDRO C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444795268 947232946 /nfs/dbraw/zinc/23/29/46/947232946.db2.gz UOLITGKRKNYZGD-SFHVURJKSA-N 1 0 363.505 3.502 20 30 FHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000330688794 947234941 /nfs/dbraw/zinc/23/49/41/947234941.db2.gz DLHDEORPOALWEY-MRXNPFEDSA-N 1 0 374.529 3.615 20 30 FHEDRO COc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1C(C)C ZINC000330707725 947254880 /nfs/dbraw/zinc/25/48/80/947254880.db2.gz MWIZQLXGQWJTIO-GOEBONIOSA-N 1 0 363.502 3.787 20 30 FHEDRO COc1ccc(C2([NH2+]Cc3ccc(F)c(C#N)c3)CCOCC2)cc1F ZINC000444819940 947255204 /nfs/dbraw/zinc/25/52/04/947255204.db2.gz VOVGLQJIWXGEPO-UHFFFAOYSA-N 1 0 358.388 3.641 20 30 FHEDRO Cc1ccc(OC2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1C ZINC000051991974 947263202 /nfs/dbraw/zinc/26/32/02/947263202.db2.gz LXYZKMYPYHJWRY-PGRDOPGGSA-N 1 0 371.525 3.590 20 30 FHEDRO CC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000330876549 947290479 /nfs/dbraw/zinc/29/04/79/947290479.db2.gz FVLBJOPRACAPDB-GFCCVEGCSA-N 1 0 366.893 3.506 20 30 FHEDRO CC[C@H](NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1c(C)nn(C)c1C ZINC000330935367 947313424 /nfs/dbraw/zinc/31/34/24/947313424.db2.gz MXRPUELQCFBCHQ-LIVBEALHSA-N 1 0 363.550 3.502 20 30 FHEDRO COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000330967292 947318517 /nfs/dbraw/zinc/31/85/17/947318517.db2.gz DPAFCNASAPNFPS-HOCLYGCPSA-N 1 0 361.486 3.557 20 30 FHEDRO CCC[NH+]1CCC(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC1 ZINC000330926761 947321475 /nfs/dbraw/zinc/32/14/75/947321475.db2.gz VYUXJBKQKJSQGM-UHFFFAOYSA-N 1 0 363.477 3.989 20 30 FHEDRO C=CCNC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc1 ZINC000301405834 947328873 /nfs/dbraw/zinc/32/88/73/947328873.db2.gz GPGXXLHAFXSITI-BEFAXECRSA-N 1 0 370.522 3.554 20 30 FHEDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)c1ccc(C(F)(F)F)nc1 ZINC000931617817 947334705 /nfs/dbraw/zinc/33/47/05/947334705.db2.gz QJUXMDMOQOWGDD-XCBNKYQSSA-N 1 0 366.252 3.700 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(NC(C)=O)cc2Cl)[C@@H](C)C1 ZINC000331065527 947338220 /nfs/dbraw/zinc/33/82/20/947338220.db2.gz PLHLDJJOYREHHO-YVEFUNNKSA-N 1 0 366.893 3.506 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)ccc2OC(C)C)C[C@H]1C ZINC000331135696 947354743 /nfs/dbraw/zinc/35/47/43/947354743.db2.gz PXZRMCBNYVSSEA-HZPDHXFCSA-N 1 0 363.502 3.833 20 30 FHEDRO COc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000440607540 947359340 /nfs/dbraw/zinc/35/93/40/947359340.db2.gz FECRWQSQHWBKJA-AZUAARDMSA-N 1 0 355.869 3.755 20 30 FHEDRO CC(=O)Nc1cc(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)ccc1C ZINC000331128182 947362677 /nfs/dbraw/zinc/36/26/77/947362677.db2.gz AALYOBZJGSMQIB-GOSISDBHSA-N 1 0 360.502 3.790 20 30 FHEDRO Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000331130931 947363697 /nfs/dbraw/zinc/36/36/97/947363697.db2.gz BEZKAHMHVMQLQC-SFHVURJKSA-N 1 0 374.529 3.533 20 30 FHEDRO CCOC[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093839344 947368729 /nfs/dbraw/zinc/36/87/29/947368729.db2.gz BTWTYOUVYWTCMM-LJQANCHMSA-N 1 0 350.462 3.996 20 30 FHEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000662148191 947373209 /nfs/dbraw/zinc/37/32/09/947373209.db2.gz YGNNAFLFPRYNAQ-GOSISDBHSA-N 1 0 355.507 3.720 20 30 FHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000331269907 947373953 /nfs/dbraw/zinc/37/39/53/947373953.db2.gz ACGSYXQHBJGKDG-ZDUSSCGKSA-N 1 0 374.407 3.642 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C ZINC000331276420 947375215 /nfs/dbraw/zinc/37/52/15/947375215.db2.gz IYHMROZFEBUSAE-WBVHZDCISA-N 1 0 358.486 3.696 20 30 FHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(OC)cc1 ZINC000181835554 947375404 /nfs/dbraw/zinc/37/54/04/947375404.db2.gz VXBABMSBNDWWRM-UGSOOPFHSA-N 1 0 355.438 3.845 20 30 FHEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000909613548 947383262 /nfs/dbraw/zinc/38/32/62/947383262.db2.gz PSZPOBCYESSRNO-OAQYLSRUSA-N 1 0 362.477 3.536 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(C)=O)ccc2Cl)C[C@H]1C ZINC000331311246 947383919 /nfs/dbraw/zinc/38/39/19/947383919.db2.gz ZJQPPIGIHWXNSL-DOMZBBRYSA-N 1 0 366.893 3.649 20 30 FHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000331289617 947390308 /nfs/dbraw/zinc/39/03/08/947390308.db2.gz OXNBLUGOKZXLCE-DOMZBBRYSA-N 1 0 368.403 3.927 20 30 FHEDRO CC(C)NC(=O)Nc1cccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000331291320 947390798 /nfs/dbraw/zinc/39/07/98/947390798.db2.gz KNPPVQWQOHLQOE-UHFFFAOYSA-N 1 0 360.502 3.848 20 30 FHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000331289630 947390916 /nfs/dbraw/zinc/39/09/16/947390916.db2.gz OXNBLUGOKZXLCE-SWLSCSKDSA-N 1 0 368.403 3.927 20 30 FHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000523585662 947404180 /nfs/dbraw/zinc/40/41/80/947404180.db2.gz UQRVNJNQVACQIQ-QFIPXVFZSA-N 1 0 374.488 3.574 20 30 FHEDRO COc1cc(C[NH2+][C@@H](Cn2ccnc2)c2ccc(C)cc2C)ccc1C#N ZINC000440632098 947432216 /nfs/dbraw/zinc/43/22/16/947432216.db2.gz BPRFPGSJEVWTKC-NRFANRHFSA-N 1 0 360.461 3.911 20 30 FHEDRO COc1cc(CNc2cccc(N3CC[NH+](C(C)C)CC3)c2)ccc1C#N ZINC000440636077 947446395 /nfs/dbraw/zinc/44/63/95/947446395.db2.gz JWAJZETZCDVHJH-UHFFFAOYSA-N 1 0 364.493 3.709 20 30 FHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000280805718 947559261 /nfs/dbraw/zinc/55/92/61/947559261.db2.gz LIYSUDPEYIFLPF-GLJUWKHASA-N 1 0 370.415 3.993 20 30 FHEDRO COCCC[N@H+](CCc1ccc(OC)cc1)Cc1cc(C#N)ccc1F ZINC000523790113 947614608 /nfs/dbraw/zinc/61/46/08/947614608.db2.gz XNCGQTOBNPZKTK-UHFFFAOYSA-N 1 0 356.441 3.787 20 30 FHEDRO C=CC[C@@H](C)NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000523938002 947743401 /nfs/dbraw/zinc/74/34/01/947743401.db2.gz QLMUXBAUCQEIEQ-LJQANCHMSA-N 1 0 357.542 3.985 20 30 FHEDRO CC[NH2+]CCCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662399095 947778088 /nfs/dbraw/zinc/77/80/88/947778088.db2.gz GTKAKYLMGDWYMP-UHFFFAOYSA-N 1 0 374.300 3.705 20 30 FHEDRO C=CCOc1ccc(C[NH2+]Cc2cnccc2C(F)(F)F)cc1OC ZINC000663351348 947824771 /nfs/dbraw/zinc/82/47/71/947824771.db2.gz DDRGPFBIBXFHGP-UHFFFAOYSA-N 1 0 352.356 3.964 20 30 FHEDRO C=CC[C@]1(C(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)CCC[NH2+]1 ZINC000662485025 947855178 /nfs/dbraw/zinc/85/51/78/947855178.db2.gz OVZRQTJJYZKOLY-OPAMFIHVSA-N 1 0 372.509 3.892 20 30 FHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000441482546 947898295 /nfs/dbraw/zinc/89/82/95/947898295.db2.gz DGVMCOMKESENGC-YLJYHZDGSA-N 1 0 355.482 3.596 20 30 FHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCSCc2ccccc2C#N)C[C@H]1C ZINC000248402669 947912336 /nfs/dbraw/zinc/91/23/36/947912336.db2.gz VTBAOIBWYGXPMP-AYOQOUSVSA-N 1 0 360.523 3.749 20 30 FHEDRO C=CC[C@]1(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)CCC[NH2+]1 ZINC000662670690 947972005 /nfs/dbraw/zinc/97/20/05/947972005.db2.gz HAGMBJNRSBFKIS-LJQANCHMSA-N 1 0 356.495 3.533 20 30 FHEDRO C=CC[C@@]1(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)CCC[NH2+]1 ZINC000662674817 947973277 /nfs/dbraw/zinc/97/32/77/947973277.db2.gz FCQFGCBMJKFJNT-FQEVSTJZSA-N 1 0 371.868 3.951 20 30 FHEDRO C#CCCOc1ccc(C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000130980134 947994395 /nfs/dbraw/zinc/99/43/95/947994395.db2.gz LLKGLECICJCRKA-IBGZPJMESA-N 1 0 363.505 3.799 20 30 FHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000025865978 948009193 /nfs/dbraw/zinc/00/91/93/948009193.db2.gz MZWYYLWXHGZTSD-QFIPXVFZSA-N 1 0 372.468 3.872 20 30 FHEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1Cl ZINC000066971791 948106584 /nfs/dbraw/zinc/10/65/84/948106584.db2.gz YQCKYTCUUHKELY-UHFFFAOYSA-N 1 0 368.868 3.834 20 30 FHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000544635918 948139191 /nfs/dbraw/zinc/13/91/91/948139191.db2.gz UZFAEANKYYPNAC-UHFFFAOYSA-N 1 0 355.869 3.936 20 30 FHEDRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000432341539 948164426 /nfs/dbraw/zinc/16/44/26/948164426.db2.gz XUVVCDSZXORNHA-UHFFFAOYSA-N 1 0 373.545 3.994 20 30 FHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000181592232 948219176 /nfs/dbraw/zinc/21/91/76/948219176.db2.gz QZOFXWGUXLYBTF-DOTOQJQBSA-N 1 0 360.527 3.742 20 30 FHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000092644613 948231138 /nfs/dbraw/zinc/23/11/38/948231138.db2.gz OXDCLTDILGZWFI-UHFFFAOYSA-N 1 0 356.510 3.912 20 30 FHEDRO C=CCN(C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H](C)COC ZINC000663581934 948249816 /nfs/dbraw/zinc/24/98/16/948249816.db2.gz UMQHGIPAOPTOTQ-LJQANCHMSA-N 1 0 373.541 3.651 20 30 FHEDRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000760040711 948295969 /nfs/dbraw/zinc/29/59/69/948295969.db2.gz KZISCDTYZIOHDS-JHVJFLLYSA-N 1 0 354.425 3.545 20 30 FHEDRO CC(C)[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[NH+](C)C ZINC000106917149 948347449 /nfs/dbraw/zinc/34/74/49/948347449.db2.gz HIHGQVFVDFRXLB-HXUWFJFHSA-N 1 0 369.440 3.801 20 30 FHEDRO Cc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000512072568 948359656 /nfs/dbraw/zinc/35/96/56/948359656.db2.gz BXLAYJWOZJDBNP-UHFFFAOYSA-N 1 0 351.475 3.668 20 30 FHEDRO N#Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000614609886 948371043 /nfs/dbraw/zinc/37/10/43/948371043.db2.gz YMBOBCAFGFQVGG-UHFFFAOYSA-N 1 0 367.880 3.854 20 30 FHEDRO Cc1nc2ccc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2s1 ZINC000574743371 948420170 /nfs/dbraw/zinc/42/01/70/948420170.db2.gz KPBGYBKFKOVLAA-INIZCTEOSA-N 1 0 350.447 3.525 20 30 FHEDRO CCc1ccc([C@H](CNC(=O)N2CCC(C)(C#N)CC2)[NH+](CC)CC)cc1 ZINC000432445342 948437781 /nfs/dbraw/zinc/43/77/81/948437781.db2.gz UMNZDKIAHHPUDV-FQEVSTJZSA-N 1 0 370.541 3.967 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCC(=O)c2ccc3ccccc3c2)CC1 ZINC000520682687 948578600 /nfs/dbraw/zinc/57/86/00/948578600.db2.gz IMZVFRNHRLXGQQ-UHFFFAOYSA-N 1 0 364.489 3.959 20 30 FHEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000090106660 948617985 /nfs/dbraw/zinc/61/79/85/948617985.db2.gz ODLYQNIZFMVULD-AWEZNQCLSA-N 1 0 367.840 3.522 20 30 FHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCCC[C@@H]2C)c1C#N ZINC000512172045 948637721 /nfs/dbraw/zinc/63/77/21/948637721.db2.gz UUQCWBQEJVUBOJ-HNNXBMFYSA-N 1 0 368.481 3.821 20 30 FHEDRO C[C@H]1C[C@@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000279296354 948720058 /nfs/dbraw/zinc/72/00/58/948720058.db2.gz ZHVRAHWKRBXHDD-LPHOPBHVSA-N 1 0 363.461 3.806 20 30 FHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1 ZINC000523969567 948745886 /nfs/dbraw/zinc/74/58/86/948745886.db2.gz VNKDIHZLAQDERB-LAUBAEHRSA-N 1 0 357.498 3.609 20 30 FHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000078841104 132192606 /nfs/dbraw/zinc/19/26/06/132192606.db2.gz AEBDRWOAAVIYOT-UHFFFAOYSA-N 1 0 362.477 3.589 20 30 FHEDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000601745787 567834143 /nfs/dbraw/zinc/83/41/43/567834143.db2.gz XKHZYQAJWWGQOP-UHFFFAOYSA-N 1 0 351.494 3.722 20 30 FHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 ZINC000541795072 567857407 /nfs/dbraw/zinc/85/74/07/567857407.db2.gz SVAWEJYFRHORGY-QGZVFWFLSA-N 1 0 362.260 3.898 20 30 FHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000481388638 567883041 /nfs/dbraw/zinc/88/30/41/567883041.db2.gz FUYWHNRHJUTSBX-BZNIZROVSA-N 1 0 363.870 3.577 20 30 FHEDRO N#Cc1ccccc1OCC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091888809 567883715 /nfs/dbraw/zinc/88/37/15/567883715.db2.gz ZHOCWRVSDXIPJM-UHFFFAOYSA-N 1 0 354.425 3.757 20 30 FHEDRO C[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568112594 567888580 /nfs/dbraw/zinc/88/85/80/567888580.db2.gz BHIUJOWWUMSZPR-AWEZNQCLSA-N 1 0 353.853 3.987 20 30 FHEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@]2(Cc3ccccc3)C=CCCC2)CCOCC1 ZINC000601965896 567889009 /nfs/dbraw/zinc/88/90/09/567889009.db2.gz BMTQVTILRGTGHF-GGAORHGYSA-N 1 0 368.521 3.617 20 30 FHEDRO CCCC(C#N)(CCC)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410559995 567930768 /nfs/dbraw/zinc/93/07/68/567930768.db2.gz SQPXJCZLUYRONZ-ZIAGYGMSSA-N 1 0 361.452 3.874 20 30 FHEDRO C[C@H](CCC#N)C[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000602455695 567982185 /nfs/dbraw/zinc/98/21/85/567982185.db2.gz XOCJVYKHQWOJOD-QGZVFWFLSA-N 1 0 371.506 3.859 20 30 FHEDRO CCOc1ccc(CC[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1OCC ZINC000602498769 567983665 /nfs/dbraw/zinc/98/36/65/567983665.db2.gz KSBHGEGVDRBXTC-KRWDZBQOSA-N 1 0 360.498 3.715 20 30 FHEDRO C[C@H](CCC#N)C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000602479151 567984658 /nfs/dbraw/zinc/98/46/58/567984658.db2.gz XNHJOUIOBHZUHF-GOSISDBHSA-N 1 0 353.510 3.829 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000602515863 567986636 /nfs/dbraw/zinc/98/66/36/567986636.db2.gz DKRBFBQIUFQTKA-SFHVURJKSA-N 1 0 356.514 3.506 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000602517940 567986855 /nfs/dbraw/zinc/98/68/55/567986855.db2.gz HXKAZWDGIHGENC-AWEZNQCLSA-N 1 0 356.388 3.816 20 30 FHEDRO CC[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000602519415 567986956 /nfs/dbraw/zinc/98/69/56/567986956.db2.gz XZUHGLNDCBSTHZ-IEBWSBKVSA-N 1 0 357.498 3.668 20 30 FHEDRO N#CC1CCC([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000602520163 567987108 /nfs/dbraw/zinc/98/71/08/567987108.db2.gz FWDUKLDNJSFZQO-ISXOHVOVSA-N 1 0 362.315 3.947 20 30 FHEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000602524190 567987553 /nfs/dbraw/zinc/98/75/53/567987553.db2.gz KUUHYUDKEPFRBW-MSOLQXFVSA-N 1 0 361.555 3.649 20 30 FHEDRO COc1ccc(CC[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1OC(F)F ZINC000602526294 567987768 /nfs/dbraw/zinc/98/77/68/567987768.db2.gz IRYQAERPLSALQO-AWEZNQCLSA-N 1 0 368.424 3.528 20 30 FHEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)c(Br)cc1F ZINC000602529395 567988184 /nfs/dbraw/zinc/98/81/84/567988184.db2.gz UTOWFEYQOQCALK-LLVKDONJSA-N 1 0 362.630 3.591 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000602511667 567989298 /nfs/dbraw/zinc/98/92/98/567989298.db2.gz PUKHKICAWCMDRJ-HNNXBMFYSA-N 1 0 370.415 3.954 20 30 FHEDRO N#CC1CCC([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000602553207 567991028 /nfs/dbraw/zinc/99/10/28/567991028.db2.gz WMRUXNYKXAIMPN-YMAMQOFZSA-N 1 0 353.388 3.836 20 30 FHEDRO CN1CC[C@H]([NH2+]CC(C)(C)C#N)C[C@H]1c1ccc(Br)cc1 ZINC000602617656 567998209 /nfs/dbraw/zinc/99/82/09/567998209.db2.gz YRTFUQFZTQQVRH-HOTGVXAUSA-N 1 0 350.304 3.724 20 30 FHEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000602618135 567998314 /nfs/dbraw/zinc/99/83/14/567998314.db2.gz CWYJSNLZZQLRPY-GHTZIAJQSA-N 1 0 355.526 3.586 20 30 FHEDRO C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000602850110 568001125 /nfs/dbraw/zinc/00/11/25/568001125.db2.gz NVENCLRLLQKFKG-IAGOWNOFSA-N 1 0 350.503 3.672 20 30 FHEDRO N#CC1CCC(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602658912 568006766 /nfs/dbraw/zinc/00/67/66/568006766.db2.gz YSYDWGJHHIWIOZ-UHFFFAOYSA-N 1 0 358.261 3.838 20 30 FHEDRO N#CC1CCC([NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000602672039 568008274 /nfs/dbraw/zinc/00/82/74/568008274.db2.gz CMJITJBVSCNTOJ-UHFFFAOYSA-N 1 0 373.092 3.779 20 30 FHEDRO C[C@H](CC#N)NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000602869951 568008971 /nfs/dbraw/zinc/00/89/71/568008971.db2.gz RDXAQWDBTSVRCW-CXAGYDPISA-N 1 0 370.840 3.502 20 30 FHEDRO COc1c(C)cnc(CN2CCC([N@H+](C)C[C@@H](C)CCC#N)CC2)c1C ZINC000602666524 568013783 /nfs/dbraw/zinc/01/37/83/568013783.db2.gz KKMTWXYTTCTZGY-INIZCTEOSA-N 1 0 358.530 3.543 20 30 FHEDRO CC(C)C[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C ZINC000602693707 568015668 /nfs/dbraw/zinc/01/56/68/568015668.db2.gz IFRXGZQWDJKONS-IRXDYDNUSA-N 1 0 352.519 3.679 20 30 FHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000602783377 568039491 /nfs/dbraw/zinc/03/94/91/568039491.db2.gz YYOHDXSIGBBYGH-FUHWJXTLSA-N 1 0 358.486 3.563 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000481666348 568081080 /nfs/dbraw/zinc/08/10/80/568081080.db2.gz GUVNADWTZUBRAR-JOCHJYFZSA-N 1 0 367.537 3.950 20 30 FHEDRO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481654921 568081570 /nfs/dbraw/zinc/08/15/70/568081570.db2.gz CDOBZXIVOYGXAX-JOCHJYFZSA-N 1 0 361.489 3.860 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000481679252 568084853 /nfs/dbraw/zinc/08/48/53/568084853.db2.gz SRHGHXRMKLPXQT-MRXNPFEDSA-N 1 0 373.378 3.971 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000481677205 568085145 /nfs/dbraw/zinc/08/51/45/568085145.db2.gz YPLVLOWJMQDLJO-XMSQKQJNSA-N 1 0 352.453 3.906 20 30 FHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481737387 568099892 /nfs/dbraw/zinc/09/98/92/568099892.db2.gz DKXOYVQCVCVZGM-UHFFFAOYSA-N 1 0 368.456 3.726 20 30 FHEDRO C=CCc1cc(C[NH2+]CCc2c[nH]c3ccc(OC)cc23)cc(OC)c1O ZINC000603516093 568111566 /nfs/dbraw/zinc/11/15/66/568111566.db2.gz FZDPSLFZDJDFMT-UHFFFAOYSA-N 1 0 366.461 3.952 20 30 FHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C1(c2ccccc2)CCCC1 ZINC000481848363 568159488 /nfs/dbraw/zinc/15/94/88/568159488.db2.gz OESOKARFUACIRM-GHTZIAJQSA-N 1 0 364.489 3.788 20 30 FHEDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481898146 568171573 /nfs/dbraw/zinc/17/15/73/568171573.db2.gz AVOQZGPPDPORBU-FCHUYYIVSA-N 1 0 361.489 3.615 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000481913866 568182075 /nfs/dbraw/zinc/18/20/75/568182075.db2.gz IBVSZUYFSZMQAW-OAQYLSRUSA-N 1 0 363.461 3.813 20 30 FHEDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481913855 568182136 /nfs/dbraw/zinc/18/21/36/568182136.db2.gz HXTQVFOHAVLYQY-SIKLNZKXSA-N 1 0 350.462 3.664 20 30 FHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000481918628 568182547 /nfs/dbraw/zinc/18/25/47/568182547.db2.gz IAXWTIBQPHRYRT-HRAATJIYSA-N 1 0 372.415 3.633 20 30 FHEDRO C=CC[N@H+](CC(=O)c1c[nH]c2ncc(Br)cc12)C(C)(C)C ZINC000661758179 568195370 /nfs/dbraw/zinc/19/53/70/568195370.db2.gz OYBLWBQWNCEVCQ-UHFFFAOYSA-N 1 0 350.260 3.795 20 30 FHEDRO CC[NH+](CC)[C@H](CNC(=O)CSc1ccc(C#N)cc1)c1ccccc1 ZINC000481949658 568195389 /nfs/dbraw/zinc/19/53/89/568195389.db2.gz AUSOXFMBCOLLCF-HXUWFJFHSA-N 1 0 367.518 3.850 20 30 FHEDRO N#Cc1cc2c(nc1N1CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)CCC2 ZINC000481990577 568215937 /nfs/dbraw/zinc/21/59/37/568215937.db2.gz DXMBBIZSUWCLFA-OFNKIYASSA-N 1 0 372.516 3.933 20 30 FHEDRO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1=O ZINC000568854597 568236947 /nfs/dbraw/zinc/23/69/47/568236947.db2.gz OCPGKYHTNNOHIQ-VBKZILBWSA-N 1 0 369.415 3.678 20 30 FHEDRO C=CCN(CC=C)C(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000303224977 568258870 /nfs/dbraw/zinc/25/88/70/568258870.db2.gz VYZXKVVZWGQFFT-UHFFFAOYSA-N 1 0 363.299 3.619 20 30 FHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000303335869 568266346 /nfs/dbraw/zinc/26/63/46/568266346.db2.gz OHPCNZSTOCJXPH-UHFFFAOYSA-N 1 0 370.324 3.876 20 30 FHEDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)C1(CC)CC ZINC000482136366 568287454 /nfs/dbraw/zinc/28/74/54/568287454.db2.gz PICHOCDUNAEJLH-CVEARBPZSA-N 1 0 363.527 3.749 20 30 FHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000482126150 568296193 /nfs/dbraw/zinc/29/61/93/568296193.db2.gz LSFNVKXXQXCIGC-HHXXYDBFSA-N 1 0 374.529 3.585 20 30 FHEDRO CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604503380 568302157 /nfs/dbraw/zinc/30/21/57/568302157.db2.gz ISTUKNKIWHIJAK-FQEVSTJZSA-N 1 0 356.441 3.544 20 30 FHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000604520759 568308047 /nfs/dbraw/zinc/30/80/47/568308047.db2.gz MHISSABTTLGMJM-JWUVWSEFSA-N 1 0 371.525 3.529 20 30 FHEDRO C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000569240126 568317343 /nfs/dbraw/zinc/31/73/43/568317343.db2.gz JYYYAVPXEDXLLU-HRCADAONSA-N 1 0 350.466 3.711 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC000604766017 568361953 /nfs/dbraw/zinc/36/19/53/568361953.db2.gz MWNFCDCAQRKWPE-MOPGFXCFSA-N 1 0 365.395 3.876 20 30 FHEDRO C=C(C)COc1cc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)ccc1OC ZINC000604768522 568362549 /nfs/dbraw/zinc/36/25/49/568362549.db2.gz RVCDSNZTJPOWHA-PXNSSMCTSA-N 1 0 355.478 3.904 20 30 FHEDRO N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCc4nccn4C3)cc2)c1 ZINC000365275557 568394533 /nfs/dbraw/zinc/39/45/33/568394533.db2.gz DOJUGOKMMBEMBW-SFHVURJKSA-N 1 0 372.428 3.535 20 30 FHEDRO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000569723639 568413996 /nfs/dbraw/zinc/41/39/96/568413996.db2.gz MBGDYODIGATWFQ-DNVCBOLYSA-N 1 0 361.449 3.583 20 30 FHEDRO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1C#N ZINC000570027933 568441891 /nfs/dbraw/zinc/44/18/91/568441891.db2.gz VOAZJDKANIGUBW-INIZCTEOSA-N 1 0 370.497 3.684 20 30 FHEDRO CC(C)Cc1ncc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000569969305 568445029 /nfs/dbraw/zinc/44/50/29/568445029.db2.gz XZECRXVFDUCEPO-UHFFFAOYSA-N 1 0 356.539 3.777 20 30 FHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H](CO)C3CCCC3)c2)c1 ZINC000570090392 568458375 /nfs/dbraw/zinc/45/83/75/568458375.db2.gz ROJPBFYUWGLEPH-QFIPXVFZSA-N 1 0 350.462 3.778 20 30 FHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000570569331 568487719 /nfs/dbraw/zinc/48/77/19/568487719.db2.gz OEHFIZHXTAMWLD-KGLIPLIRSA-N 1 0 368.437 3.606 20 30 FHEDRO N#Cc1ccnc(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)c1 ZINC000570629862 568492011 /nfs/dbraw/zinc/49/20/11/568492011.db2.gz FOBOOHIHXSEYBM-UHFFFAOYSA-N 1 0 359.433 3.989 20 30 FHEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000735435951 598465075 /nfs/dbraw/zinc/46/50/75/598465075.db2.gz BWJDBTAKTWWKFP-ZDUSSCGKSA-N 1 0 369.856 3.936 20 30 FHEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000823931611 608510429 /nfs/dbraw/zinc/51/04/29/608510429.db2.gz BGHSECSKBFSQNT-IBGZPJMESA-N 1 0 361.449 3.599 20 30 FHEDRO N#CCC[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)c1ccccc1 ZINC000826381288 608524728 /nfs/dbraw/zinc/52/47/28/608524728.db2.gz FYBVWKJUPKLJSU-UXHICEINSA-N 1 0 358.449 3.879 20 30 FHEDRO